USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1027 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 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 66 MET CE :methyl -146:sc= -5.29! (180deg=-4.46!) USER MOD Set 2.2: B 30 SER OG : rot -156:sc= -1.81! USER MOD Set 3.1: A 16 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3.7!) USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 34 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-5.8!) USER MOD Set 5.1: A 24 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.0094) USER MOD Set 5.2: B 29 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.0089) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.548 F(o=-1.4,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.15! C(o=-3.1!,f=-5.3!) USER MOD Single : A 25 SER OG : rot 161:sc= -0.975 USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= -0.031 (180deg=-0.825) USER MOD Single : A 30 SER OG : rot 144:sc= -0.117 USER MOD Single : A 37 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.33) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.8!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.21 F(o=-2.3!,f=-1.2) USER MOD Single : A 58 MET CE :methyl -170:sc= -0.831 (180deg=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= 0.0037 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.2) USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.0046) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 19 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.37) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -0.97 X(o=-0.97,f=-1.4) USER MOD Single : B 24 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : B 25 SER OG : rot 180:sc= -1.2 USER MOD Single : B 34 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-5.5!) USER MOD Single : B 37 GLN : amide:sc= -2.15 K(o=-2.2,f=-3.2!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.7!) USER MOD Single : B 48 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.2!) USER MOD Single : B 56 SER OG : rot -174:sc= 0.14 USER MOD Single : B 58 MET CE :methyl -176:sc= 0 (180deg=-0.00672) USER MOD Single : B 60 LYS NZ :NH3+ -164:sc= -0.004 (180deg=-0.141) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -151:sc= -5.35! (180deg=-9.07!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -4.145 -15.773 -10.497 1.00 0.00 N ATOM 50 CA ARG A 8 -3.447 -16.121 -9.272 1.00 0.00 C ATOM 51 C ARG A 8 -2.936 -14.858 -8.575 1.00 0.00 C ATOM 52 O ARG A 8 -3.589 -13.816 -8.613 1.00 0.00 O ATOM 53 CB ARG A 8 -2.266 -17.051 -9.556 1.00 0.00 C ATOM 54 CG ARG A 8 -2.625 -18.080 -10.630 1.00 0.00 C ATOM 55 CD ARG A 8 -1.670 -19.275 -10.586 1.00 0.00 C ATOM 56 NE ARG A 8 -1.353 -19.720 -11.961 1.00 0.00 N ATOM 57 CZ ARG A 8 -0.267 -20.435 -12.287 1.00 0.00 C ATOM 58 NH1 ARG A 8 0.611 -20.790 -11.339 1.00 0.00 N ATOM 59 NH2 ARG A 8 -0.060 -20.795 -13.561 1.00 0.00 N ATOM 0 HA ARG A 8 -4.154 -16.638 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.407 -16.465 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.973 -17.563 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.649 -18.423 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.584 -17.613 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.754 -19.000 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.123 -20.093 -10.026 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.001 -19.467 -12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.453 -20.516 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.437 -21.334 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.729 -20.525 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.766 -21.339 -13.809 1.00 0.00 H new ATOM 73 N CYS A 9 -1.773 -14.992 -7.955 1.00 0.00 N ATOM 74 CA CYS A 9 -1.167 -13.875 -7.251 1.00 0.00 C ATOM 75 C CYS A 9 -0.140 -13.222 -8.178 1.00 0.00 C ATOM 76 O CYS A 9 0.193 -13.773 -9.227 1.00 0.00 O ATOM 77 CB CYS A 9 -0.541 -14.314 -5.925 1.00 0.00 C ATOM 78 SG CYS A 9 -1.731 -14.549 -4.555 1.00 0.00 S ATOM 0 H CYS A 9 -1.234 -15.858 -7.926 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.935 -13.147 -6.991 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.004 -15.249 -6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.196 -13.570 -5.624 1.00 0.00 H new ATOM 83 N GLN A 10 0.334 -12.058 -7.759 1.00 0.00 N ATOM 84 CA GLN A 10 1.316 -11.325 -8.539 1.00 0.00 C ATOM 85 C GLN A 10 2.713 -11.510 -7.943 1.00 0.00 C ATOM 86 O GLN A 10 3.693 -10.996 -8.479 1.00 0.00 O ATOM 87 CB GLN A 10 0.950 -9.842 -8.628 1.00 0.00 C ATOM 88 CG GLN A 10 1.032 -9.342 -10.072 1.00 0.00 C ATOM 89 CD GLN A 10 1.706 -7.970 -10.139 1.00 0.00 C ATOM 90 OE1 GLN A 10 2.518 -7.691 -11.006 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.326 -7.132 -9.179 1.00 0.00 N ATOM 0 H GLN A 10 0.056 -11.604 -6.889 1.00 0.00 H new ATOM 0 HA GLN A 10 1.319 -11.726 -9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.058 -9.689 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.623 -9.259 -7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.591 -10.056 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.030 -9.280 -10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.641 -7.430 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.719 -6.192 -9.138 1.00 0.00 H new ATOM 100 N CYS A 11 2.759 -12.246 -6.842 1.00 0.00 N ATOM 101 CA CYS A 11 4.019 -12.505 -6.168 1.00 0.00 C ATOM 102 C CYS A 11 3.984 -13.932 -5.617 1.00 0.00 C ATOM 103 O CYS A 11 3.128 -14.265 -4.799 1.00 0.00 O ATOM 104 CB CYS A 11 4.295 -11.476 -5.070 1.00 0.00 C ATOM 105 SG CYS A 11 5.811 -10.480 -5.315 1.00 0.00 S ATOM 0 H CYS A 11 1.944 -12.671 -6.400 1.00 0.00 H new ATOM 0 HA CYS A 11 4.841 -12.410 -6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.441 -10.802 -5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.369 -11.996 -4.115 1.00 0.00 H new ATOM 110 N LEU A 12 4.926 -14.737 -6.087 1.00 0.00 N ATOM 111 CA LEU A 12 5.014 -16.120 -5.652 1.00 0.00 C ATOM 112 C LEU A 12 6.009 -16.224 -4.494 1.00 0.00 C ATOM 113 O LEU A 12 6.046 -17.233 -3.791 1.00 0.00 O ATOM 114 CB LEU A 12 5.348 -17.034 -6.833 1.00 0.00 C ATOM 115 CG LEU A 12 4.605 -16.740 -8.138 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.438 -17.162 -9.350 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.221 -17.392 -8.140 1.00 0.00 C ATOM 0 H LEU A 12 5.635 -14.457 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 12 4.050 -16.462 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.419 -16.970 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.137 -18.063 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 12 4.454 -15.663 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.887 -16.942 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.380 -16.613 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.641 -18.232 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.714 -17.167 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.327 -18.472 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.634 -17.002 -7.308 1.00 0.00 H new ATOM 129 N GLN A 13 6.792 -15.167 -4.332 1.00 0.00 N ATOM 130 CA GLN A 13 7.784 -15.126 -3.272 1.00 0.00 C ATOM 131 C GLN A 13 7.627 -13.848 -2.446 1.00 0.00 C ATOM 132 O GLN A 13 6.835 -12.974 -2.794 1.00 0.00 O ATOM 133 CB GLN A 13 9.200 -15.241 -3.841 1.00 0.00 C ATOM 134 CG GLN A 13 10.082 -16.115 -2.947 1.00 0.00 C ATOM 135 CD GLN A 13 10.949 -17.056 -3.785 1.00 0.00 C ATOM 136 OE1 GLN A 13 10.585 -18.184 -4.075 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.114 -16.533 -4.155 1.00 0.00 N ATOM 0 H GLN A 13 6.759 -14.333 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 13 7.621 -15.981 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.159 -15.666 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.640 -14.248 -3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.719 -15.483 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.456 -16.697 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.357 -15.582 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.765 -17.083 -4.716 1.00 0.00 H new ATOM 146 N THR A 14 8.395 -13.779 -1.368 1.00 0.00 N ATOM 147 CA THR A 14 8.351 -12.622 -0.491 1.00 0.00 C ATOM 148 C THR A 14 9.640 -12.525 0.328 1.00 0.00 C ATOM 149 O THR A 14 10.413 -13.480 0.392 1.00 0.00 O ATOM 150 CB THR A 14 7.091 -12.730 0.371 1.00 0.00 C ATOM 151 OG1 THR A 14 7.075 -14.090 0.794 1.00 0.00 O ATOM 152 CG2 THR A 14 5.808 -12.580 -0.448 1.00 0.00 C ATOM 0 H THR A 14 9.051 -14.506 -1.083 1.00 0.00 H new ATOM 0 HA THR A 14 8.294 -11.695 -1.062 1.00 0.00 H new ATOM 0 HB THR A 14 7.117 -11.967 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.291 -14.247 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.944 -12.664 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.799 -11.605 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.765 -13.364 -1.204 1.00 0.00 H new ATOM 160 N LEU A 15 9.832 -11.362 0.933 1.00 0.00 N ATOM 161 CA LEU A 15 11.014 -11.127 1.745 1.00 0.00 C ATOM 162 C LEU A 15 10.629 -11.174 3.225 1.00 0.00 C ATOM 163 O LEU A 15 9.469 -11.409 3.561 1.00 0.00 O ATOM 164 CB LEU A 15 11.700 -9.824 1.329 1.00 0.00 C ATOM 165 CG LEU A 15 12.286 -9.796 -0.084 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.330 -8.368 -0.631 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.662 -10.465 -0.120 1.00 0.00 C ATOM 0 H LEU A 15 9.189 -10.572 0.877 1.00 0.00 H new ATOM 0 HA LEU A 15 11.750 -11.914 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.978 -9.012 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.502 -9.616 2.038 1.00 0.00 H new ATOM 0 HG LEU A 15 11.630 -10.372 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.751 -8.376 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.320 -7.960 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.951 -7.749 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.056 -10.432 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.341 -9.938 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.570 -11.503 0.200 1.00 0.00 H new ATOM 179 N GLN A 16 11.624 -10.947 4.070 1.00 0.00 N ATOM 180 CA GLN A 16 11.403 -10.960 5.506 1.00 0.00 C ATOM 181 C GLN A 16 11.039 -9.559 6.000 1.00 0.00 C ATOM 182 O GLN A 16 10.579 -9.395 7.130 1.00 0.00 O ATOM 183 CB GLN A 16 12.630 -11.500 6.244 1.00 0.00 C ATOM 184 CG GLN A 16 12.631 -11.052 7.707 1.00 0.00 C ATOM 185 CD GLN A 16 11.394 -11.573 8.441 1.00 0.00 C ATOM 186 OE1 GLN A 16 10.699 -12.466 7.983 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.158 -10.968 9.601 1.00 0.00 N ATOM 0 H GLN A 16 12.585 -10.753 3.788 1.00 0.00 H new ATOM 0 HA GLN A 16 10.568 -11.627 5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.639 -12.589 6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.538 -11.150 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.532 -11.415 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.657 -9.963 7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.780 -10.228 9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.355 -11.244 10.166 1.00 0.00 H new ATOM 196 N GLY A 17 11.257 -8.584 5.130 1.00 0.00 N ATOM 197 CA GLY A 17 10.958 -7.202 5.465 1.00 0.00 C ATOM 198 C GLY A 17 11.925 -6.246 4.763 1.00 0.00 C ATOM 199 O GLY A 17 11.554 -5.125 4.417 1.00 0.00 O ATOM 0 H GLY A 17 11.637 -8.723 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.934 -6.967 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.023 -7.063 6.544 1.00 0.00 H new ATOM 203 N ILE A 18 13.145 -6.724 4.572 1.00 0.00 N ATOM 204 CA ILE A 18 14.168 -5.926 3.918 1.00 0.00 C ATOM 205 C ILE A 18 14.329 -4.600 4.663 1.00 0.00 C ATOM 206 O ILE A 18 13.474 -4.227 5.466 1.00 0.00 O ATOM 207 CB ILE A 18 13.849 -5.761 2.431 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.123 -7.057 1.664 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.606 -4.572 1.836 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.593 -7.466 1.786 1.00 0.00 C ATOM 0 H ILE A 18 13.449 -7.655 4.859 1.00 0.00 H new ATOM 0 HA ILE A 18 15.132 -6.434 3.960 1.00 0.00 H new ATOM 0 HB ILE A 18 12.785 -5.547 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.487 -7.854 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.865 -6.924 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.361 -4.477 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.318 -3.659 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.679 -4.731 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.761 -8.390 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.225 -6.678 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.841 -7.622 2.836 1.00 0.00 H new ATOM 222 N HIS A 19 15.429 -3.923 4.371 1.00 0.00 N ATOM 223 CA HIS A 19 15.713 -2.646 5.003 1.00 0.00 C ATOM 224 C HIS A 19 14.773 -1.576 4.444 1.00 0.00 C ATOM 225 O HIS A 19 14.477 -1.568 3.250 1.00 0.00 O ATOM 226 CB HIS A 19 17.190 -2.278 4.847 1.00 0.00 C ATOM 227 CG HIS A 19 17.830 -1.759 6.112 1.00 0.00 C ATOM 228 ND1 HIS A 19 17.397 -0.835 7.017 1.00 0.00 N flip ATOM 229 CD2 HIS A 19 19.064 -2.197 6.562 1.00 0.00 C flip ATOM 230 CE1 HIS A 19 18.315 -0.716 7.968 1.00 0.00 C flip ATOM 231 NE2 HIS A 19 19.349 -1.559 7.688 1.00 0.00 N flip ATOM 0 H HIS A 19 16.135 -4.235 3.704 1.00 0.00 H new ATOM 0 HA HIS A 19 15.528 -2.718 6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.739 -3.157 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.285 -1.522 4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 19 19.688 -2.933 6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 19 18.253 -0.059 8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 19 20.194 -1.678 8.247 1.00 0.00 H new ATOM 239 N LEU A 20 14.329 -0.700 5.333 1.00 0.00 N ATOM 240 CA LEU A 20 13.429 0.372 4.943 1.00 0.00 C ATOM 241 C LEU A 20 14.240 1.516 4.330 1.00 0.00 C ATOM 242 O LEU A 20 13.678 2.531 3.922 1.00 0.00 O ATOM 243 CB LEU A 20 12.560 0.800 6.127 1.00 0.00 C ATOM 244 CG LEU A 20 11.465 1.823 5.820 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.184 1.132 5.349 1.00 0.00 C ATOM 246 CD2 LEU A 20 11.214 2.735 7.023 1.00 0.00 C ATOM 0 H LEU A 20 14.576 -0.711 6.323 1.00 0.00 H new ATOM 0 HA LEU A 20 12.735 0.026 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.091 -0.089 6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.210 1.213 6.898 1.00 0.00 H new ATOM 0 HG LEU A 20 11.809 2.455 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.422 1.883 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.391 0.560 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.825 0.460 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.431 3.453 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.901 2.134 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.131 3.269 7.272 1.00 0.00 H new ATOM 258 N LYS A 21 15.548 1.313 4.285 1.00 0.00 N ATOM 259 CA LYS A 21 16.442 2.315 3.729 1.00 0.00 C ATOM 260 C LYS A 21 16.555 2.109 2.217 1.00 0.00 C ATOM 261 O LYS A 21 17.136 2.936 1.516 1.00 0.00 O ATOM 262 CB LYS A 21 17.789 2.293 4.455 1.00 0.00 C ATOM 263 CG LYS A 21 17.600 2.444 5.966 1.00 0.00 C ATOM 264 CD LYS A 21 18.939 2.692 6.663 1.00 0.00 C ATOM 265 CE LYS A 21 19.213 4.190 6.808 1.00 0.00 C ATOM 266 NZ LYS A 21 20.459 4.418 7.573 1.00 0.00 N ATOM 0 H LYS A 21 16.011 0.470 4.624 1.00 0.00 H new ATOM 0 HA LYS A 21 16.038 3.315 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.306 1.358 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.421 3.099 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.921 3.272 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 17.137 1.544 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.933 2.223 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 21 19.742 2.225 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.296 4.647 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.376 4.671 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.630 5.440 7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.366 3.999 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 21.258 3.976 7.075 1.00 0.00 H new ATOM 280 N ASN A 22 15.990 1.002 1.759 1.00 0.00 N ATOM 281 CA ASN A 22 16.019 0.677 0.343 1.00 0.00 C ATOM 282 C ASN A 22 14.619 0.858 -0.246 1.00 0.00 C ATOM 283 O ASN A 22 14.472 1.336 -1.370 1.00 0.00 O ATOM 284 CB ASN A 22 16.442 -0.777 0.120 1.00 0.00 C ATOM 285 CG ASN A 22 17.820 -0.852 -0.538 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.100 -0.199 -1.530 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.664 -1.683 0.067 1.00 0.00 N ATOM 0 H ASN A 22 15.509 0.318 2.344 1.00 0.00 H new ATOM 0 HA ASN A 22 16.737 1.339 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.461 -1.304 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.707 -1.281 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.610 -1.803 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.366 -2.200 0.894 1.00 0.00 H new ATOM 294 N ILE A 23 13.626 0.467 0.538 1.00 0.00 N ATOM 295 CA ILE A 23 12.243 0.580 0.108 1.00 0.00 C ATOM 296 C ILE A 23 11.892 2.057 -0.085 1.00 0.00 C ATOM 297 O ILE A 23 12.185 2.885 0.776 1.00 0.00 O ATOM 298 CB ILE A 23 11.317 -0.149 1.083 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.203 -1.633 0.726 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.947 0.530 1.151 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.387 -2.511 1.966 1.00 0.00 C ATOM 0 H ILE A 23 13.752 0.071 1.470 1.00 0.00 H new ATOM 0 HA ILE A 23 12.103 0.090 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 23 11.756 -0.090 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.229 -1.829 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.954 -1.890 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.308 -0.008 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.068 1.560 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.488 0.523 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.301 -3.561 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.372 -2.330 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.619 -2.269 2.701 1.00 0.00 H new ATOM 313 N GLN A 24 11.271 2.341 -1.220 1.00 0.00 N ATOM 314 CA GLN A 24 10.878 3.704 -1.537 1.00 0.00 C ATOM 315 C GLN A 24 9.353 3.818 -1.588 1.00 0.00 C ATOM 316 O GLN A 24 8.801 4.898 -1.382 1.00 0.00 O ATOM 317 CB GLN A 24 11.507 4.164 -2.854 1.00 0.00 C ATOM 318 CG GLN A 24 12.082 5.575 -2.723 1.00 0.00 C ATOM 319 CD GLN A 24 10.967 6.623 -2.705 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.772 7.342 -1.739 1.00 0.00 O ATOM 321 NE2 GLN A 24 10.247 6.667 -3.822 1.00 0.00 N ATOM 0 H GLN A 24 11.030 1.651 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 24 11.246 4.360 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.296 3.471 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.758 4.145 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.670 5.648 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.759 5.774 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.464 6.036 -4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.478 7.332 -3.907 1.00 0.00 H new ATOM 330 N SER A 25 8.716 2.690 -1.864 1.00 0.00 N ATOM 331 CA SER A 25 7.266 2.649 -1.945 1.00 0.00 C ATOM 332 C SER A 25 6.754 1.282 -1.487 1.00 0.00 C ATOM 333 O SER A 25 7.488 0.296 -1.524 1.00 0.00 O ATOM 334 CB SER A 25 6.785 2.948 -3.366 1.00 0.00 C ATOM 335 OG SER A 25 7.819 3.501 -4.175 1.00 0.00 O ATOM 0 H SER A 25 9.178 1.797 -2.035 1.00 0.00 H new ATOM 0 HA SER A 25 6.865 3.419 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.418 2.030 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.946 3.642 -3.326 1.00 0.00 H new ATOM 0 HG SER A 25 7.585 3.397 -5.121 1.00 0.00 H new ATOM 341 N VAL A 26 5.498 1.267 -1.066 1.00 0.00 N ATOM 342 CA VAL A 26 4.879 0.037 -0.602 1.00 0.00 C ATOM 343 C VAL A 26 3.561 -0.179 -1.347 1.00 0.00 C ATOM 344 O VAL A 26 2.780 0.756 -1.519 1.00 0.00 O ATOM 345 CB VAL A 26 4.707 0.079 0.918 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.766 -1.030 1.394 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.060 -0.009 1.626 1.00 0.00 C ATOM 0 H VAL A 26 4.892 2.087 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 26 5.519 -0.818 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 26 4.255 1.036 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.661 -0.978 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.789 -0.903 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.177 -2.000 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.909 0.023 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.552 -0.944 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.685 0.831 1.322 1.00 0.00 H new ATOM 357 N LYS A 27 3.352 -1.417 -1.770 1.00 0.00 N ATOM 358 CA LYS A 27 2.142 -1.767 -2.493 1.00 0.00 C ATOM 359 C LYS A 27 1.547 -3.044 -1.895 1.00 0.00 C ATOM 360 O LYS A 27 2.230 -4.061 -1.790 1.00 0.00 O ATOM 361 CB LYS A 27 2.423 -1.864 -3.994 1.00 0.00 C ATOM 362 CG LYS A 27 1.152 -1.613 -4.807 1.00 0.00 C ATOM 363 CD LYS A 27 0.136 -2.738 -4.598 1.00 0.00 C ATOM 364 CE LYS A 27 -0.638 -3.024 -5.887 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.091 -4.220 -6.566 1.00 0.00 N ATOM 0 H LYS A 27 4.001 -2.190 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 27 1.393 -0.983 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.186 -1.137 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.821 -2.851 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.711 -0.660 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.402 -1.536 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.651 -3.641 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.560 -2.462 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.692 -3.179 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.579 -2.162 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.862 -4.735 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.612 -3.926 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.362 -4.840 -5.865 1.00 0.00 H new ATOM 379 N VAL A 28 0.280 -2.949 -1.519 1.00 0.00 N ATOM 380 CA VAL A 28 -0.414 -4.083 -0.935 1.00 0.00 C ATOM 381 C VAL A 28 -1.522 -4.542 -1.885 1.00 0.00 C ATOM 382 O VAL A 28 -2.373 -3.748 -2.282 1.00 0.00 O ATOM 383 CB VAL A 28 -0.934 -3.718 0.457 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.461 -3.616 0.463 1.00 0.00 C ATOM 385 CG2 VAL A 28 -0.447 -4.721 1.505 1.00 0.00 C ATOM 0 H VAL A 28 -0.284 -2.104 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 28 0.269 -4.922 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.532 -2.739 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.804 -3.356 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.777 -2.846 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.891 -4.574 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.831 -4.438 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.805 -5.718 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.643 -4.722 1.529 1.00 0.00 H new ATOM 395 N LYS A 29 -1.476 -5.823 -2.221 1.00 0.00 N ATOM 396 CA LYS A 29 -2.465 -6.397 -3.117 1.00 0.00 C ATOM 397 C LYS A 29 -3.135 -7.591 -2.433 1.00 0.00 C ATOM 398 O LYS A 29 -2.695 -8.728 -2.590 1.00 0.00 O ATOM 399 CB LYS A 29 -1.831 -6.739 -4.467 1.00 0.00 C ATOM 400 CG LYS A 29 -2.851 -6.611 -5.600 1.00 0.00 C ATOM 401 CD LYS A 29 -3.656 -7.902 -5.762 1.00 0.00 C ATOM 402 CE LYS A 29 -3.550 -8.439 -7.190 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.241 -9.743 -7.307 1.00 0.00 N ATOM 0 H LYS A 29 -0.769 -6.479 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.249 -5.671 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.988 -6.075 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.437 -7.755 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.526 -5.781 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.337 -6.380 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.292 -8.652 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.702 -7.716 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.989 -7.725 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.501 -8.551 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.159 -10.093 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.805 -10.427 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.246 -9.627 -7.064 1.00 0.00 H new ATOM 417 N SER A 30 -4.189 -7.290 -1.688 1.00 0.00 N ATOM 418 CA SER A 30 -4.924 -8.323 -0.979 1.00 0.00 C ATOM 419 C SER A 30 -5.354 -9.422 -1.954 1.00 0.00 C ATOM 420 O SER A 30 -5.151 -9.300 -3.161 1.00 0.00 O ATOM 421 CB SER A 30 -6.144 -7.740 -0.265 1.00 0.00 C ATOM 422 OG SER A 30 -6.118 -7.999 1.136 1.00 0.00 O ATOM 0 H SER A 30 -4.551 -6.345 -1.560 1.00 0.00 H new ATOM 0 HA SER A 30 -4.266 -8.753 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.183 -6.664 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.052 -8.163 -0.695 1.00 0.00 H new ATOM 0 HG SER A 30 -6.496 -7.233 1.617 1.00 0.00 H new ATOM 428 N PRO A 31 -5.956 -10.497 -1.379 1.00 0.00 N ATOM 429 CA PRO A 31 -6.417 -11.616 -2.183 1.00 0.00 C ATOM 430 C PRO A 31 -7.699 -11.258 -2.937 1.00 0.00 C ATOM 431 O PRO A 31 -8.237 -10.165 -2.769 1.00 0.00 O ATOM 432 CB PRO A 31 -6.606 -12.757 -1.198 1.00 0.00 C ATOM 433 CG PRO A 31 -6.693 -12.112 0.176 1.00 0.00 C ATOM 434 CD PRO A 31 -6.213 -10.676 0.047 1.00 0.00 C ATOM 0 HA PRO A 31 -5.708 -11.894 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.511 -13.321 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.773 -13.458 -1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.718 -12.140 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.079 -12.657 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.966 -9.973 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.312 -10.505 0.636 1.00 0.00 H new ATOM 442 N GLY A 32 -8.151 -12.200 -3.752 1.00 0.00 N ATOM 443 CA GLY A 32 -9.360 -11.998 -4.532 1.00 0.00 C ATOM 444 C GLY A 32 -10.049 -13.330 -4.832 1.00 0.00 C ATOM 445 O GLY A 32 -9.794 -14.330 -4.161 1.00 0.00 O ATOM 0 H GLY A 32 -7.701 -13.105 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.043 -11.346 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.114 -11.493 -5.466 1.00 0.00 H new ATOM 449 N PRO A 33 -10.931 -13.302 -5.866 1.00 0.00 N ATOM 450 CA PRO A 33 -11.659 -14.496 -6.262 1.00 0.00 C ATOM 451 C PRO A 33 -10.750 -15.466 -7.019 1.00 0.00 C ATOM 452 O PRO A 33 -11.195 -16.526 -7.457 1.00 0.00 O ATOM 453 CB PRO A 33 -12.818 -13.988 -7.104 1.00 0.00 C ATOM 454 CG PRO A 33 -12.437 -12.581 -7.534 1.00 0.00 C ATOM 455 CD PRO A 33 -11.259 -12.137 -6.683 1.00 0.00 C ATOM 0 HA PRO A 33 -12.024 -15.069 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.982 -14.630 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.745 -13.983 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.172 -12.563 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.279 -11.901 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.414 -11.837 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.520 -11.279 -6.063 1.00 0.00 H new ATOM 463 N HIS A 34 -9.493 -15.068 -7.151 1.00 0.00 N ATOM 464 CA HIS A 34 -8.517 -15.889 -7.848 1.00 0.00 C ATOM 465 C HIS A 34 -7.446 -16.361 -6.863 1.00 0.00 C ATOM 466 O HIS A 34 -7.124 -17.547 -6.810 1.00 0.00 O ATOM 467 CB HIS A 34 -7.932 -15.139 -9.046 1.00 0.00 C ATOM 468 CG HIS A 34 -7.805 -13.649 -8.835 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.900 -12.819 -8.672 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.701 -12.851 -8.761 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.463 -11.578 -8.509 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.101 -11.600 -8.565 1.00 0.00 N ATOM 0 H HIS A 34 -9.128 -14.188 -6.787 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.005 -16.776 -8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.948 -15.549 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.561 -15.320 -9.917 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.676 -13.181 -8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.078 -10.703 -8.358 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.490 -10.789 -8.472 1.00 0.00 H new ATOM 480 N CYS A 35 -6.923 -15.407 -6.106 1.00 0.00 N ATOM 481 CA CYS A 35 -5.895 -15.710 -5.125 1.00 0.00 C ATOM 482 C CYS A 35 -6.469 -15.450 -3.731 1.00 0.00 C ATOM 483 O CYS A 35 -6.941 -14.350 -3.445 1.00 0.00 O ATOM 484 CB CYS A 35 -4.619 -14.904 -5.376 1.00 0.00 C ATOM 485 SG CYS A 35 -3.066 -15.864 -5.244 1.00 0.00 S ATOM 0 H CYS A 35 -7.192 -14.424 -6.152 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.607 -16.758 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.674 -14.464 -6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.581 -14.079 -4.665 1.00 0.00 H new ATOM 490 N ALA A 36 -6.409 -16.479 -2.900 1.00 0.00 N ATOM 491 CA ALA A 36 -6.917 -16.376 -1.542 1.00 0.00 C ATOM 492 C ALA A 36 -5.757 -16.084 -0.589 1.00 0.00 C ATOM 493 O ALA A 36 -5.834 -16.390 0.600 1.00 0.00 O ATOM 494 CB ALA A 36 -7.663 -17.661 -1.177 1.00 0.00 C ATOM 0 H ALA A 36 -6.016 -17.389 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.627 -15.553 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.044 -17.584 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.495 -17.807 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.982 -18.509 -1.246 1.00 0.00 H new ATOM 500 N GLN A 37 -4.710 -15.494 -1.146 1.00 0.00 N ATOM 501 CA GLN A 37 -3.535 -15.157 -0.360 1.00 0.00 C ATOM 502 C GLN A 37 -3.161 -13.688 -0.568 1.00 0.00 C ATOM 503 O GLN A 37 -3.596 -13.064 -1.534 1.00 0.00 O ATOM 504 CB GLN A 37 -2.362 -16.076 -0.706 1.00 0.00 C ATOM 505 CG GLN A 37 -2.786 -17.546 -0.667 1.00 0.00 C ATOM 506 CD GLN A 37 -2.375 -18.200 0.654 1.00 0.00 C ATOM 507 OE1 GLN A 37 -1.258 -18.061 1.125 1.00 0.00 O ATOM 508 NE2 GLN A 37 -3.338 -18.920 1.224 1.00 0.00 N ATOM 0 H GLN A 37 -4.651 -15.241 -2.132 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.772 -15.306 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.983 -15.830 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.546 -15.910 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.866 -17.620 -0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.330 -18.082 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.251 -18.995 0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.163 -19.397 2.109 1.00 0.00 H new ATOM 517 N THR A 38 -2.358 -13.179 0.355 1.00 0.00 N ATOM 518 CA THR A 38 -1.920 -11.795 0.285 1.00 0.00 C ATOM 519 C THR A 38 -0.614 -11.688 -0.505 1.00 0.00 C ATOM 520 O THR A 38 -0.017 -12.702 -0.863 1.00 0.00 O ATOM 521 CB THR A 38 -1.811 -11.261 1.714 1.00 0.00 C ATOM 522 OG1 THR A 38 -3.065 -11.590 2.305 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.764 -9.732 1.766 1.00 0.00 C ATOM 0 H THR A 38 -1.999 -13.700 1.155 1.00 0.00 H new ATOM 0 HA THR A 38 -2.640 -11.179 -0.254 1.00 0.00 H new ATOM 0 HB THR A 38 -0.917 -11.668 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.080 -11.281 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.687 -9.405 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.898 -9.375 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.673 -9.325 1.324 1.00 0.00 H new ATOM 531 N GLU A 39 -0.210 -10.451 -0.754 1.00 0.00 N ATOM 532 CA GLU A 39 1.014 -10.198 -1.495 1.00 0.00 C ATOM 533 C GLU A 39 1.392 -8.719 -1.407 1.00 0.00 C ATOM 534 O GLU A 39 0.681 -7.860 -1.927 1.00 0.00 O ATOM 535 CB GLU A 39 0.873 -10.642 -2.953 1.00 0.00 C ATOM 536 CG GLU A 39 0.218 -9.549 -3.798 1.00 0.00 C ATOM 537 CD GLU A 39 -0.303 -10.116 -5.121 1.00 0.00 C ATOM 538 OE1 GLU A 39 -0.619 -11.325 -5.134 1.00 0.00 O ATOM 539 OE2 GLU A 39 -0.373 -9.327 -6.088 1.00 0.00 O ATOM 0 H GLU A 39 -0.709 -9.613 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 39 1.815 -10.785 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.855 -10.882 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.276 -11.552 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.605 -9.099 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.940 -8.757 -3.997 1.00 0.00 H new ATOM 546 N VAL A 40 2.511 -8.465 -0.744 1.00 0.00 N ATOM 547 CA VAL A 40 2.992 -7.104 -0.581 1.00 0.00 C ATOM 548 C VAL A 40 4.146 -6.855 -1.554 1.00 0.00 C ATOM 549 O VAL A 40 5.106 -7.624 -1.594 1.00 0.00 O ATOM 550 CB VAL A 40 3.378 -6.857 0.879 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.871 -5.423 1.081 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.211 -7.173 1.816 1.00 0.00 C ATOM 0 H VAL A 40 3.098 -9.179 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 40 2.204 -6.390 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 40 4.198 -7.531 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.139 -5.274 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.745 -5.247 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.081 -4.724 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.512 -6.989 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.362 -6.537 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.926 -8.219 1.702 1.00 0.00 H new ATOM 562 N ILE A 41 4.014 -5.779 -2.316 1.00 0.00 N ATOM 563 CA ILE A 41 5.033 -5.420 -3.287 1.00 0.00 C ATOM 564 C ILE A 41 5.524 -3.999 -3.002 1.00 0.00 C ATOM 565 O ILE A 41 4.800 -3.031 -3.227 1.00 0.00 O ATOM 566 CB ILE A 41 4.509 -5.615 -4.711 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.752 -6.938 -4.840 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.643 -5.502 -5.733 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.307 -6.702 -5.284 1.00 0.00 C ATOM 0 H ILE A 41 3.216 -5.144 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 41 5.895 -6.081 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 41 3.800 -4.816 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.257 -7.581 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.762 -7.461 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.243 -5.645 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.101 -4.515 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.394 -6.266 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.791 -7.659 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.798 -6.079 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.301 -6.200 -6.252 1.00 0.00 H new ATOM 581 N ALA A 42 6.752 -3.919 -2.510 1.00 0.00 N ATOM 582 CA ALA A 42 7.349 -2.633 -2.192 1.00 0.00 C ATOM 583 C ALA A 42 8.339 -2.249 -3.294 1.00 0.00 C ATOM 584 O ALA A 42 9.103 -3.088 -3.767 1.00 0.00 O ATOM 585 CB ALA A 42 8.009 -2.704 -0.814 1.00 0.00 C ATOM 0 H ALA A 42 7.350 -4.724 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 42 6.586 -1.855 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.457 -1.739 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.258 -2.951 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.783 -3.472 -0.820 1.00 0.00 H new ATOM 591 N THR A 43 8.292 -0.979 -3.669 1.00 0.00 N ATOM 592 CA THR A 43 9.176 -0.472 -4.706 1.00 0.00 C ATOM 593 C THR A 43 10.513 -0.039 -4.103 1.00 0.00 C ATOM 594 O THR A 43 10.545 0.615 -3.061 1.00 0.00 O ATOM 595 CB THR A 43 8.446 0.654 -5.440 1.00 0.00 C ATOM 596 OG1 THR A 43 7.421 -0.013 -6.171 1.00 0.00 O ATOM 597 CG2 THR A 43 9.311 1.306 -6.521 1.00 0.00 C ATOM 0 H THR A 43 7.656 -0.286 -3.274 1.00 0.00 H new ATOM 0 HA THR A 43 9.420 -1.248 -5.432 1.00 0.00 H new ATOM 0 HB THR A 43 8.132 1.411 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.898 0.645 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.745 2.098 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.206 1.728 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.598 0.556 -7.258 1.00 0.00 H new ATOM 605 N LEU A 44 11.584 -0.420 -4.783 1.00 0.00 N ATOM 606 CA LEU A 44 12.921 -0.079 -4.327 1.00 0.00 C ATOM 607 C LEU A 44 13.259 1.345 -4.772 1.00 0.00 C ATOM 608 O LEU A 44 12.783 1.804 -5.810 1.00 0.00 O ATOM 609 CB LEU A 44 13.931 -1.127 -4.798 1.00 0.00 C ATOM 610 CG LEU A 44 14.892 -1.659 -3.732 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.492 -3.001 -4.156 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.971 -0.626 -3.402 1.00 0.00 C ATOM 0 H LEU A 44 11.553 -0.962 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 44 12.967 -0.092 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.381 -1.970 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.520 -0.697 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 44 14.325 -1.835 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.171 -3.357 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.693 -3.728 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.040 -2.876 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.640 -1.029 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.541 -0.395 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.502 0.283 -3.026 1.00 0.00 H new ATOM 624 N LYS A 45 14.078 2.005 -3.966 1.00 0.00 N ATOM 625 CA LYS A 45 14.485 3.367 -4.264 1.00 0.00 C ATOM 626 C LYS A 45 15.502 3.352 -5.407 1.00 0.00 C ATOM 627 O LYS A 45 15.949 4.406 -5.859 1.00 0.00 O ATOM 628 CB LYS A 45 14.990 4.064 -2.999 1.00 0.00 C ATOM 629 CG LYS A 45 15.265 5.546 -3.263 1.00 0.00 C ATOM 630 CD LYS A 45 16.752 5.790 -3.525 1.00 0.00 C ATOM 631 CE LYS A 45 17.311 6.847 -2.571 1.00 0.00 C ATOM 632 NZ LYS A 45 17.948 7.946 -3.331 1.00 0.00 N ATOM 0 H LYS A 45 14.471 1.621 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 45 13.632 3.954 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.251 3.963 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.901 3.578 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.681 5.881 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.941 6.138 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.304 4.858 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.895 6.114 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.509 7.244 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.039 6.391 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.322 8.655 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.726 7.565 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.244 8.391 -3.953 1.00 0.00 H new ATOM 646 N ASN A 46 15.839 2.147 -5.841 1.00 0.00 N ATOM 647 CA ASN A 46 16.796 1.981 -6.922 1.00 0.00 C ATOM 648 C ASN A 46 16.043 1.707 -8.225 1.00 0.00 C ATOM 649 O ASN A 46 16.642 1.692 -9.300 1.00 0.00 O ATOM 650 CB ASN A 46 17.728 0.797 -6.656 1.00 0.00 C ATOM 651 CG ASN A 46 17.996 0.011 -7.942 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.607 0.497 -8.880 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.508 -1.225 -7.932 1.00 0.00 N ATOM 0 H ASN A 46 15.466 1.276 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 46 17.386 2.895 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.670 1.157 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.283 0.139 -5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.635 -1.830 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.006 -1.569 -7.113 1.00 0.00 H new ATOM 660 N GLY A 47 14.742 1.499 -8.088 1.00 0.00 N ATOM 661 CA GLY A 47 13.902 1.227 -9.241 1.00 0.00 C ATOM 662 C GLY A 47 13.472 -0.241 -9.273 1.00 0.00 C ATOM 663 O GLY A 47 12.738 -0.658 -10.167 1.00 0.00 O ATOM 0 H GLY A 47 14.249 1.513 -7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.020 1.867 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.443 1.471 -10.155 1.00 0.00 H new ATOM 667 N GLN A 48 13.949 -0.986 -8.286 1.00 0.00 N ATOM 668 CA GLN A 48 13.624 -2.398 -8.189 1.00 0.00 C ATOM 669 C GLN A 48 12.379 -2.598 -7.324 1.00 0.00 C ATOM 670 O GLN A 48 11.719 -1.631 -6.946 1.00 0.00 O ATOM 671 CB GLN A 48 14.808 -3.197 -7.640 1.00 0.00 C ATOM 672 CG GLN A 48 15.713 -3.685 -8.773 1.00 0.00 C ATOM 673 CD GLN A 48 16.904 -4.472 -8.223 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.191 -4.466 -7.037 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.579 -5.149 -9.148 1.00 0.00 N ATOM 0 H GLN A 48 14.559 -0.637 -7.546 1.00 0.00 H new ATOM 0 HA GLN A 48 13.410 -2.771 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.383 -2.576 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.442 -4.050 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.141 -4.314 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.071 -2.832 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.285 -5.111 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.391 -5.706 -8.881 1.00 0.00 H new ATOM 684 N LYS A 49 12.095 -3.860 -7.034 1.00 0.00 N ATOM 685 CA LYS A 49 10.940 -4.199 -6.220 1.00 0.00 C ATOM 686 C LYS A 49 11.281 -5.399 -5.333 1.00 0.00 C ATOM 687 O LYS A 49 12.022 -6.289 -5.746 1.00 0.00 O ATOM 688 CB LYS A 49 9.708 -4.416 -7.101 1.00 0.00 C ATOM 689 CG LYS A 49 9.451 -3.199 -7.992 1.00 0.00 C ATOM 690 CD LYS A 49 8.296 -3.464 -8.960 1.00 0.00 C ATOM 691 CE LYS A 49 8.698 -3.130 -10.398 1.00 0.00 C ATOM 692 NZ LYS A 49 7.526 -3.212 -11.297 1.00 0.00 N ATOM 0 H LYS A 49 12.645 -4.660 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 49 10.687 -3.373 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.851 -5.301 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.836 -4.603 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.220 -2.332 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.353 -2.958 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.996 -4.510 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.431 -2.866 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.125 -2.128 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.471 -3.820 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.817 -2.982 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.135 -4.176 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.800 -2.536 -10.984 1.00 0.00 H new ATOM 706 N ALA A 50 10.724 -5.383 -4.132 1.00 0.00 N ATOM 707 CA ALA A 50 10.960 -6.459 -3.184 1.00 0.00 C ATOM 708 C ALA A 50 9.656 -6.782 -2.450 1.00 0.00 C ATOM 709 O ALA A 50 9.111 -5.935 -1.744 1.00 0.00 O ATOM 710 CB ALA A 50 12.083 -6.058 -2.226 1.00 0.00 C ATOM 0 H ALA A 50 10.110 -4.642 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 50 11.280 -7.363 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.260 -6.865 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.994 -5.867 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.796 -5.155 -1.686 1.00 0.00 H new ATOM 716 N CYS A 51 9.194 -8.008 -2.643 1.00 0.00 N ATOM 717 CA CYS A 51 7.965 -8.453 -2.009 1.00 0.00 C ATOM 718 C CYS A 51 8.265 -8.756 -0.540 1.00 0.00 C ATOM 719 O CYS A 51 9.357 -9.214 -0.207 1.00 0.00 O ATOM 720 CB CYS A 51 7.362 -9.661 -2.730 1.00 0.00 C ATOM 721 SG CYS A 51 5.880 -9.292 -3.738 1.00 0.00 S ATOM 0 H CYS A 51 9.649 -8.708 -3.230 1.00 0.00 H new ATOM 0 HA CYS A 51 7.215 -7.665 -2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.124 -10.098 -3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.101 -10.416 -1.988 1.00 0.00 H new ATOM 726 N LEU A 52 7.276 -8.489 0.300 1.00 0.00 N ATOM 727 CA LEU A 52 7.420 -8.727 1.726 1.00 0.00 C ATOM 728 C LEU A 52 6.492 -9.869 2.144 1.00 0.00 C ATOM 729 O LEU A 52 5.576 -10.231 1.408 1.00 0.00 O ATOM 730 CB LEU A 52 7.194 -7.433 2.511 1.00 0.00 C ATOM 731 CG LEU A 52 8.081 -6.248 2.120 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.448 -4.924 2.552 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.496 -6.415 2.677 1.00 0.00 C ATOM 0 H LEU A 52 6.371 -8.110 0.020 1.00 0.00 H new ATOM 0 HA LEU A 52 8.438 -9.040 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.152 -7.136 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.347 -7.642 3.570 1.00 0.00 H new ATOM 0 HG LEU A 52 8.163 -6.227 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.098 -4.098 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.478 -4.809 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.316 -4.920 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.105 -5.560 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.454 -6.476 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.938 -7.328 2.279 1.00 0.00 H new ATOM 745 N ASN A 53 6.763 -10.407 3.325 1.00 0.00 N ATOM 746 CA ASN A 53 5.964 -11.501 3.850 1.00 0.00 C ATOM 747 C ASN A 53 4.837 -10.934 4.717 1.00 0.00 C ATOM 748 O ASN A 53 5.095 -10.300 5.739 1.00 0.00 O ATOM 749 CB ASN A 53 6.809 -12.431 4.722 1.00 0.00 C ATOM 750 CG ASN A 53 6.023 -13.686 5.107 1.00 0.00 C ATOM 751 OD1 ASN A 53 6.137 -14.024 6.389 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 5.356 -14.306 4.295 1.00 0.00 N flip ATOM 0 H ASN A 53 7.525 -10.105 3.933 1.00 0.00 H new ATOM 0 HA ASN A 53 5.565 -12.063 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.715 -12.715 4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.124 -11.904 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.311 -13.992 3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.843 -15.138 4.586 1.00 0.00 H new ATOM 759 N PRO A 54 3.580 -11.189 4.265 1.00 0.00 N ATOM 760 CA PRO A 54 2.414 -10.712 4.988 1.00 0.00 C ATOM 761 C PRO A 54 2.169 -11.547 6.246 1.00 0.00 C ATOM 762 O PRO A 54 1.237 -11.277 7.003 1.00 0.00 O ATOM 763 CB PRO A 54 1.271 -10.793 3.989 1.00 0.00 C ATOM 764 CG PRO A 54 1.738 -11.743 2.898 1.00 0.00 C ATOM 765 CD PRO A 54 3.237 -11.936 3.059 1.00 0.00 C ATOM 0 HA PRO A 54 2.534 -9.692 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.362 -11.161 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.040 -9.810 3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.219 -12.699 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.509 -11.336 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.492 -12.991 3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.780 -11.559 2.192 1.00 0.00 H new ATOM 773 N ALA A 55 3.021 -12.545 6.431 1.00 0.00 N ATOM 774 CA ALA A 55 2.908 -13.421 7.584 1.00 0.00 C ATOM 775 C ALA A 55 3.980 -13.047 8.610 1.00 0.00 C ATOM 776 O ALA A 55 4.285 -13.831 9.508 1.00 0.00 O ATOM 777 CB ALA A 55 3.018 -14.878 7.131 1.00 0.00 C ATOM 0 H ALA A 55 3.792 -12.766 5.801 1.00 0.00 H new ATOM 0 HA ALA A 55 1.936 -13.301 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.933 -15.535 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.217 -15.101 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.982 -15.037 6.648 1.00 0.00 H new ATOM 783 N SER A 56 4.523 -11.850 8.442 1.00 0.00 N ATOM 784 CA SER A 56 5.554 -11.363 9.342 1.00 0.00 C ATOM 785 C SER A 56 5.081 -10.086 10.038 1.00 0.00 C ATOM 786 O SER A 56 4.436 -9.240 9.420 1.00 0.00 O ATOM 787 CB SER A 56 6.863 -11.105 8.592 1.00 0.00 C ATOM 788 OG SER A 56 7.771 -10.318 9.357 1.00 0.00 O ATOM 0 H SER A 56 4.268 -11.203 7.696 1.00 0.00 H new ATOM 0 HA SER A 56 5.742 -12.130 10.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.331 -12.057 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.648 -10.598 7.651 1.00 0.00 H new ATOM 0 HG SER A 56 8.594 -10.177 8.844 1.00 0.00 H new ATOM 794 N PRO A 57 5.429 -9.983 11.349 1.00 0.00 N ATOM 795 CA PRO A 57 5.046 -8.823 12.135 1.00 0.00 C ATOM 796 C PRO A 57 5.906 -7.609 11.777 1.00 0.00 C ATOM 797 O PRO A 57 5.455 -6.470 11.885 1.00 0.00 O ATOM 798 CB PRO A 57 5.208 -9.258 13.583 1.00 0.00 C ATOM 799 CG PRO A 57 6.113 -10.479 13.552 1.00 0.00 C ATOM 800 CD PRO A 57 6.192 -10.965 12.114 1.00 0.00 C ATOM 0 HA PRO A 57 4.022 -8.503 11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.647 -8.461 14.183 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.243 -9.498 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.106 -10.228 13.925 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.719 -11.263 14.199 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.225 -11.019 11.770 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.769 -11.964 12.010 1.00 0.00 H new ATOM 808 N MET A 58 7.130 -7.895 11.357 1.00 0.00 N ATOM 809 CA MET A 58 8.057 -6.841 10.981 1.00 0.00 C ATOM 810 C MET A 58 7.617 -6.160 9.683 1.00 0.00 C ATOM 811 O MET A 58 8.030 -5.037 9.396 1.00 0.00 O ATOM 812 CB MET A 58 9.456 -7.432 10.799 1.00 0.00 C ATOM 813 CG MET A 58 10.517 -6.331 10.765 1.00 0.00 C ATOM 814 SD MET A 58 11.504 -6.387 12.251 1.00 0.00 S ATOM 815 CE MET A 58 10.215 -6.293 13.482 1.00 0.00 C ATOM 0 H MET A 58 7.501 -8.841 11.269 1.00 0.00 H new ATOM 0 HA MET A 58 8.069 -6.094 11.775 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.671 -8.124 11.613 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.494 -8.007 9.874 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.155 -6.456 9.890 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.038 -5.356 10.673 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.661 -6.137 14.464 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.550 -5.461 13.249 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.646 -7.223 13.485 1.00 0.00 H new ATOM 825 N VAL A 59 6.786 -6.869 8.934 1.00 0.00 N ATOM 826 CA VAL A 59 6.285 -6.347 7.673 1.00 0.00 C ATOM 827 C VAL A 59 5.305 -5.205 7.952 1.00 0.00 C ATOM 828 O VAL A 59 5.013 -4.404 7.066 1.00 0.00 O ATOM 829 CB VAL A 59 5.667 -7.477 6.848 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.520 -6.958 5.979 1.00 0.00 C ATOM 831 CG2 VAL A 59 6.728 -8.176 5.994 1.00 0.00 C ATOM 0 H VAL A 59 6.447 -7.800 9.175 1.00 0.00 H new ATOM 0 HA VAL A 59 7.101 -5.937 7.078 1.00 0.00 H new ATOM 0 HB VAL A 59 5.257 -8.211 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.099 -7.782 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.747 -6.528 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.896 -6.194 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.262 -8.975 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.181 -7.454 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.497 -8.597 6.642 1.00 0.00 H new ATOM 841 N LYS A 60 4.825 -5.168 9.186 1.00 0.00 N ATOM 842 CA LYS A 60 3.884 -4.138 9.592 1.00 0.00 C ATOM 843 C LYS A 60 4.650 -2.977 10.230 1.00 0.00 C ATOM 844 O LYS A 60 4.045 -2.021 10.713 1.00 0.00 O ATOM 845 CB LYS A 60 2.800 -4.729 10.496 1.00 0.00 C ATOM 846 CG LYS A 60 2.092 -5.899 9.809 1.00 0.00 C ATOM 847 CD LYS A 60 2.924 -7.179 9.908 1.00 0.00 C ATOM 848 CE LYS A 60 2.044 -8.379 10.264 1.00 0.00 C ATOM 849 NZ LYS A 60 1.343 -8.881 9.062 1.00 0.00 N ATOM 0 H LYS A 60 5.070 -5.835 9.918 1.00 0.00 H new ATOM 0 HA LYS A 60 3.360 -3.737 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.246 -5.067 11.431 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.073 -3.958 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.117 -6.059 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.915 -5.657 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.429 -7.363 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.700 -7.055 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.656 -9.172 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.317 -8.092 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.332 -9.000 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.456 -8.200 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.748 -9.797 8.781 1.00 0.00 H new ATOM 863 N LYS A 61 5.969 -3.098 10.209 1.00 0.00 N ATOM 864 CA LYS A 61 6.823 -2.070 10.779 1.00 0.00 C ATOM 865 C LYS A 61 7.639 -1.415 9.663 1.00 0.00 C ATOM 866 O LYS A 61 8.196 -0.334 9.849 1.00 0.00 O ATOM 867 CB LYS A 61 7.679 -2.649 11.908 1.00 0.00 C ATOM 868 CG LYS A 61 6.803 -3.134 13.065 1.00 0.00 C ATOM 869 CD LYS A 61 7.308 -2.585 14.401 1.00 0.00 C ATOM 870 CE LYS A 61 6.436 -3.073 15.559 1.00 0.00 C ATOM 871 NZ LYS A 61 5.652 -1.952 16.126 1.00 0.00 N ATOM 0 H LYS A 61 6.467 -3.892 9.806 1.00 0.00 H new ATOM 0 HA LYS A 61 6.221 -1.286 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.277 -3.477 11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.375 -1.891 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.773 -2.817 12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.801 -4.224 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.340 -2.899 14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.307 -1.495 14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.762 -3.856 15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.063 -3.514 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.066 -2.301 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.300 -1.218 16.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.039 -1.549 15.389 1.00 0.00 H new ATOM 885 N ILE A 62 7.685 -2.097 8.528 1.00 0.00 N ATOM 886 CA ILE A 62 8.424 -1.595 7.382 1.00 0.00 C ATOM 887 C ILE A 62 7.471 -0.829 6.462 1.00 0.00 C ATOM 888 O ILE A 62 7.911 -0.066 5.603 1.00 0.00 O ATOM 889 CB ILE A 62 9.169 -2.734 6.684 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.067 -3.486 7.669 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.952 -2.218 5.475 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.213 -4.955 7.266 1.00 0.00 C ATOM 0 H ILE A 62 7.222 -2.993 8.377 1.00 0.00 H new ATOM 0 HA ILE A 62 9.193 -0.892 7.703 1.00 0.00 H new ATOM 0 HB ILE A 62 8.432 -3.445 6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.049 -3.015 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.647 -3.420 8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.472 -3.048 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.264 -1.763 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.679 -1.475 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.856 -5.467 7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.231 -5.429 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.656 -5.017 6.272 1.00 0.00 H new ATOM 904 N ILE A 63 6.183 -1.059 6.673 1.00 0.00 N ATOM 905 CA ILE A 63 5.164 -0.401 5.873 1.00 0.00 C ATOM 906 C ILE A 63 4.701 0.870 6.590 1.00 0.00 C ATOM 907 O ILE A 63 4.746 1.959 6.021 1.00 0.00 O ATOM 908 CB ILE A 63 4.028 -1.372 5.548 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.472 -2.408 4.513 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.773 -0.618 5.103 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.662 -3.699 4.648 1.00 0.00 C ATOM 0 H ILE A 63 5.822 -1.692 7.387 1.00 0.00 H new ATOM 0 HA ILE A 63 5.574 -0.094 4.911 1.00 0.00 H new ATOM 0 HB ILE A 63 3.772 -1.915 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.349 -2.001 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.532 -2.625 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.980 -1.332 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.446 0.048 5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.997 -0.032 4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.997 -4.419 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.806 -4.116 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.605 -3.483 4.495 1.00 0.00 H new ATOM 923 N GLU A 64 4.268 0.687 7.829 1.00 0.00 N ATOM 924 CA GLU A 64 3.797 1.805 8.629 1.00 0.00 C ATOM 925 C GLU A 64 4.853 2.912 8.667 1.00 0.00 C ATOM 926 O GLU A 64 4.516 4.095 8.668 1.00 0.00 O ATOM 927 CB GLU A 64 3.429 1.350 10.043 1.00 0.00 C ATOM 928 CG GLU A 64 2.212 0.422 10.020 1.00 0.00 C ATOM 929 CD GLU A 64 2.100 -0.367 11.326 1.00 0.00 C ATOM 930 OE1 GLU A 64 2.714 0.085 12.317 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.404 -1.405 11.304 1.00 0.00 O ATOM 0 H GLU A 64 4.233 -0.218 8.298 1.00 0.00 H new ATOM 0 HA GLU A 64 2.896 2.205 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.276 0.834 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.216 2.219 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.306 1.008 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.292 -0.268 9.180 1.00 0.00 H new ATOM 938 N LYS A 65 6.108 2.488 8.698 1.00 0.00 N ATOM 939 CA LYS A 65 7.214 3.429 8.736 1.00 0.00 C ATOM 940 C LYS A 65 7.367 4.087 7.363 1.00 0.00 C ATOM 941 O LYS A 65 7.757 5.249 7.267 1.00 0.00 O ATOM 942 CB LYS A 65 8.487 2.740 9.232 1.00 0.00 C ATOM 943 CG LYS A 65 8.493 2.632 10.759 1.00 0.00 C ATOM 944 CD LYS A 65 9.919 2.705 11.308 1.00 0.00 C ATOM 945 CE LYS A 65 10.097 1.759 12.497 1.00 0.00 C ATOM 946 NZ LYS A 65 10.169 2.523 13.762 1.00 0.00 N ATOM 0 H LYS A 65 6.383 1.506 8.698 1.00 0.00 H new ATOM 0 HA LYS A 65 7.010 4.226 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.561 1.745 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.361 3.300 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.893 3.436 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.030 1.693 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.629 2.445 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.143 3.727 11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.265 1.056 12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.006 1.171 12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.290 1.865 14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.977 3.177 13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.291 3.065 13.891 1.00 0.00 H new ATOM 960 N MET A 66 7.050 3.314 6.334 1.00 0.00 N ATOM 961 CA MET A 66 7.147 3.807 4.970 1.00 0.00 C ATOM 962 C MET A 66 6.212 4.998 4.750 1.00 0.00 C ATOM 963 O MET A 66 6.566 5.948 4.054 1.00 0.00 O ATOM 964 CB MET A 66 6.783 2.686 3.995 1.00 0.00 C ATOM 965 CG MET A 66 7.955 2.368 3.063 1.00 0.00 C ATOM 966 SD MET A 66 8.231 3.730 1.944 1.00 0.00 S ATOM 967 CE MET A 66 6.558 4.023 1.393 1.00 0.00 C ATOM 0 H MET A 66 6.726 2.350 6.417 1.00 0.00 H new ATOM 0 HA MET A 66 8.171 4.135 4.794 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.503 1.792 4.552 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.914 2.979 3.406 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.855 2.179 3.648 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.745 1.459 2.499 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.569 4.348 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.980 3.103 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.102 4.798 2.010 1.00 0.00 H new ATOM 977 N LEU A 67 5.038 4.908 5.358 1.00 0.00 N ATOM 978 CA LEU A 67 4.050 5.967 5.237 1.00 0.00 C ATOM 979 C LEU A 67 4.546 7.208 5.982 1.00 0.00 C ATOM 980 O LEU A 67 4.024 8.305 5.784 1.00 0.00 O ATOM 981 CB LEU A 67 2.679 5.476 5.704 1.00 0.00 C ATOM 982 CG LEU A 67 1.914 4.587 4.721 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.746 3.366 4.323 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.549 4.191 5.287 1.00 0.00 C ATOM 0 H LEU A 67 4.749 4.119 5.936 1.00 0.00 H new ATOM 0 HA LEU A 67 3.922 6.252 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.810 4.925 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.062 6.345 5.933 1.00 0.00 H new ATOM 0 HG LEU A 67 1.731 5.161 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.179 2.751 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.671 3.695 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.982 2.781 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.026 3.560 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.687 3.643 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.040 5.088 5.477 1.00 0.00 H new ATOM 996 N LYS A 68 5.546 6.994 6.823 1.00 0.00 N ATOM 997 CA LYS A 68 6.118 8.082 7.599 1.00 0.00 C ATOM 998 C LYS A 68 7.445 8.509 6.970 1.00 0.00 C ATOM 999 O LYS A 68 7.831 9.674 7.056 1.00 0.00 O ATOM 1000 CB LYS A 68 6.235 7.685 9.072 1.00 0.00 C ATOM 1001 CG LYS A 68 5.233 8.460 9.930 1.00 0.00 C ATOM 1002 CD LYS A 68 5.919 9.608 10.673 1.00 0.00 C ATOM 1003 CE LYS A 68 5.107 10.030 11.899 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.277 11.477 12.160 1.00 0.00 N ATOM 0 H LYS A 68 5.976 6.083 6.985 1.00 0.00 H new ATOM 0 HA LYS A 68 5.461 8.951 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.059 6.615 9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.248 7.879 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.437 8.855 9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.765 7.786 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.918 9.300 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.041 10.459 10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.053 9.805 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.427 9.457 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.719 11.747 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.282 11.683 12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.950 12.019 11.335 1.00 0.00 H new ATOM 1018 N ASN A 69 8.108 7.543 6.351 1.00 0.00 N ATOM 1019 CA ASN A 69 9.384 7.805 5.707 1.00 0.00 C ATOM 1020 C ASN A 69 10.393 8.275 6.757 1.00 0.00 C ATOM 1021 O ASN A 69 11.234 7.498 7.207 1.00 0.00 O ATOM 1022 CB ASN A 69 9.253 8.904 4.651 1.00 0.00 C ATOM 1023 CG ASN A 69 10.629 9.349 4.150 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.352 8.609 3.504 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.948 10.596 4.482 1.00 0.00 N ATOM 0 H ASN A 69 7.785 6.578 6.282 1.00 0.00 H new ATOM 0 HA ASN A 69 9.716 6.884 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.657 8.540 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.722 9.757 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.845 10.987 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.296 11.162 5.025 1.00 0.00 H new ATOM 1032 N GLY A 70 10.276 9.545 7.117 1.00 0.00 N ATOM 1033 CA GLY A 70 11.167 10.128 8.105 1.00 0.00 C ATOM 1034 C GLY A 70 12.623 10.057 7.640 1.00 0.00 C ATOM 1035 O GLY A 70 13.244 8.997 7.695 1.00 0.00 O ATOM 0 H GLY A 70 9.577 10.186 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.889 11.167 8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.058 9.602 9.053 1.00 0.00 H new ATOM 1135 N ARG B 8 7.569 16.042 -9.028 1.00 0.00 N ATOM 1136 CA ARG B 8 6.617 16.523 -8.040 1.00 0.00 C ATOM 1137 C ARG B 8 5.912 15.345 -7.366 1.00 0.00 C ATOM 1138 O ARG B 8 6.516 14.294 -7.153 1.00 0.00 O ATOM 1139 CB ARG B 8 5.571 17.435 -8.683 1.00 0.00 C ATOM 1140 CG ARG B 8 6.218 18.392 -9.685 1.00 0.00 C ATOM 1141 CD ARG B 8 5.617 19.795 -9.572 1.00 0.00 C ATOM 1142 NE ARG B 8 5.179 20.267 -10.905 1.00 0.00 N ATOM 1143 CZ ARG B 8 4.614 21.460 -11.130 1.00 0.00 C ATOM 1144 NH1 ARG B 8 4.414 22.310 -10.114 1.00 0.00 N ATOM 1145 NH2 ARG B 8 4.248 21.804 -12.373 1.00 0.00 N ATOM 0 HA ARG B 8 7.171 17.094 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.817 16.830 -9.187 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.057 18.006 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.292 18.438 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.078 18.013 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.771 19.783 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.354 20.483 -9.158 1.00 0.00 H new ATOM 0 HE ARG B 8 5.316 19.645 -11.702 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.692 22.049 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG B 8 3.984 23.219 -10.286 1.00 0.00 H new ATOM 0 HH21 ARG B 8 4.400 21.157 -13.147 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.818 22.713 -12.545 1.00 0.00 H new ATOM 1159 N CYS B 9 4.643 15.559 -7.048 1.00 0.00 N ATOM 1160 CA CYS B 9 3.849 14.528 -6.402 1.00 0.00 C ATOM 1161 C CYS B 9 3.106 13.744 -7.486 1.00 0.00 C ATOM 1162 O CYS B 9 2.727 14.304 -8.513 1.00 0.00 O ATOM 1163 CB CYS B 9 2.891 15.118 -5.366 1.00 0.00 C ATOM 1164 SG CYS B 9 3.682 16.188 -4.111 1.00 0.00 S ATOM 0 H CYS B 9 4.146 16.431 -7.226 1.00 0.00 H new ATOM 0 HA CYS B 9 4.504 13.853 -5.851 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.127 15.696 -5.886 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.381 14.301 -4.857 1.00 0.00 H new ATOM 1169 N GLN B 10 2.921 12.459 -7.220 1.00 0.00 N ATOM 1170 CA GLN B 10 2.230 11.593 -8.160 1.00 0.00 C ATOM 1171 C GLN B 10 0.716 11.761 -8.022 1.00 0.00 C ATOM 1172 O GLN B 10 -0.049 11.184 -8.794 1.00 0.00 O ATOM 1173 CB GLN B 10 2.640 10.132 -7.962 1.00 0.00 C ATOM 1174 CG GLN B 10 2.716 9.397 -9.302 1.00 0.00 C ATOM 1175 CD GLN B 10 1.723 8.233 -9.346 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.710 8.273 -10.024 1.00 0.00 O ATOM 1177 NE2 GLN B 10 2.070 7.198 -8.587 1.00 0.00 N ATOM 0 H GLN B 10 3.238 11.997 -6.367 1.00 0.00 H new ATOM 0 HA GLN B 10 2.517 11.883 -9.171 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.608 10.087 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.922 9.634 -7.310 1.00 0.00 H new ATOM 0 HG2 GLN B 10 2.504 10.092 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.728 9.023 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.933 7.230 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.473 6.372 -8.548 1.00 0.00 H new ATOM 1186 N CYS B 11 0.328 12.553 -7.034 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.082 12.804 -6.786 1.00 0.00 C ATOM 1188 C CYS B 11 -1.236 14.253 -6.318 1.00 0.00 C ATOM 1189 O CYS B 11 -0.455 14.730 -5.497 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.663 11.813 -5.775 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.065 10.815 -6.399 1.00 0.00 S ATOM 0 H CYS B 11 0.965 13.030 -6.396 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.648 12.658 -7.706 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -0.870 11.138 -5.452 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -1.991 12.364 -4.894 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.250 14.911 -6.862 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.517 16.296 -6.510 1.00 0.00 C ATOM 1198 C LEU B 12 -3.720 16.355 -5.567 1.00 0.00 C ATOM 1199 O LEU B 12 -3.950 17.370 -4.912 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.681 17.146 -7.772 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.675 16.883 -8.894 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.279 17.215 -10.260 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.368 17.638 -8.646 1.00 0.00 C ATOM 0 H LEU B 12 -2.896 14.511 -7.543 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.670 16.724 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.685 16.986 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.614 18.197 -7.490 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.436 15.819 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.544 17.019 -11.040 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.160 16.596 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.564 18.267 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.330 17.434 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.569 18.708 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.068 17.311 -7.702 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.456 15.254 -5.529 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.630 15.168 -4.677 1.00 0.00 C ATOM 1217 C GLN B 13 -5.645 13.835 -3.926 1.00 0.00 C ATOM 1218 O GLN B 13 -4.820 12.961 -4.189 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.913 15.354 -5.490 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.991 16.056 -4.661 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.672 17.161 -5.471 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -8.067 18.150 -5.850 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -9.960 16.939 -5.713 1.00 0.00 N ATOM 0 H GLN B 13 -4.262 14.414 -6.074 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.583 15.974 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.699 15.939 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.280 14.383 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.734 15.329 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.544 16.481 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -10.405 16.089 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -10.503 17.618 -6.246 1.00 0.00 H new ATOM 1232 N THR B 14 -6.592 13.721 -3.007 1.00 0.00 N ATOM 1233 CA THR B 14 -6.725 12.509 -2.216 1.00 0.00 C ATOM 1234 C THR B 14 -8.143 12.391 -1.655 1.00 0.00 C ATOM 1235 O THR B 14 -8.904 13.358 -1.672 1.00 0.00 O ATOM 1236 CB THR B 14 -5.643 12.528 -1.135 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.717 13.845 -0.593 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.231 12.444 -1.717 1.00 0.00 C ATOM 0 H THR B 14 -7.275 14.448 -2.792 1.00 0.00 H new ATOM 0 HA THR B 14 -6.577 11.619 -2.828 1.00 0.00 H new ATOM 0 HB THR B 14 -5.802 11.697 -0.448 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.049 13.944 0.118 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.502 12.461 -0.907 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.125 11.518 -2.281 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.059 13.293 -2.378 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.457 11.198 -1.171 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.770 10.942 -0.605 1.00 0.00 C ATOM 1248 C LEU B 15 -9.662 10.884 0.920 1.00 0.00 C ATOM 1249 O LEU B 15 -8.564 10.946 1.470 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.385 9.686 -1.226 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.679 9.754 -2.726 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.574 8.370 -3.369 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.037 10.407 -2.990 1.00 0.00 C ATOM 0 H LEU B 15 -7.824 10.398 -1.159 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.453 11.757 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.711 8.848 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.316 9.465 -0.703 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.923 10.384 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.788 8.447 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.566 7.979 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.293 7.697 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.221 10.443 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.821 9.824 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.038 11.420 -2.588 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.816 10.764 1.559 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.865 10.697 3.010 1.00 0.00 C ATOM 1267 C GLN B 16 -10.681 9.253 3.481 1.00 0.00 C ATOM 1268 O GLN B 16 -10.472 9.005 4.667 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.173 11.285 3.542 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.414 10.864 4.993 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.319 11.865 5.713 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.239 12.422 4.930 1.00 0.00 O flip ATOM 1273 NE2 GLN B 16 -13.191 12.116 6.900 1.00 0.00 N flip ATOM 0 H GLN B 16 -11.725 10.711 1.099 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.047 11.296 3.410 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.140 12.373 3.476 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.004 10.953 2.920 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.870 9.874 5.017 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.461 10.789 5.516 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.463 11.652 7.444 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.812 12.790 7.349 1.00 0.00 H new ATOM 1282 N GLY B 17 -10.766 8.338 2.526 1.00 0.00 N ATOM 1283 CA GLY B 17 -10.612 6.925 2.829 1.00 0.00 C ATOM 1284 C GLY B 17 -11.484 6.069 1.908 1.00 0.00 C ATOM 1285 O GLY B 17 -11.055 5.012 1.447 1.00 0.00 O ATOM 0 H GLY B 17 -10.939 8.547 1.543 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -9.567 6.637 2.717 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -10.884 6.740 3.868 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.692 6.557 1.668 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.628 5.850 0.810 1.00 0.00 C ATOM 1291 C ILE B 18 -13.823 4.428 1.339 1.00 0.00 C ATOM 1292 O ILE B 18 -13.038 3.953 2.158 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.167 5.906 -0.648 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.561 7.234 -1.297 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.693 4.705 -1.436 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.405 7.169 -2.818 1.00 0.00 C ATOM 0 H ILE B 18 -13.044 7.433 2.053 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.604 6.335 0.830 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.079 5.850 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -14.594 7.474 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.940 8.036 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.351 4.769 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.321 3.784 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.783 4.705 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -13.692 8.126 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.366 6.953 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.046 6.382 -3.216 1.00 0.00 H new ATOM 1308 N HIS B 19 -14.875 3.787 0.849 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.183 2.429 1.263 1.00 0.00 C ATOM 1310 C HIS B 19 -14.023 1.504 0.890 1.00 0.00 C ATOM 1311 O HIS B 19 -13.315 1.751 -0.085 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.519 1.972 0.673 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.420 1.274 1.664 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.620 1.813 2.095 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.285 0.075 2.301 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.173 0.969 2.953 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.344 -0.107 3.080 1.00 0.00 N ATOM 0 H HIS B 19 -15.524 4.183 0.169 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.298 2.392 2.346 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.042 2.839 0.270 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.325 1.300 -0.163 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.457 -0.610 2.190 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.115 1.108 3.463 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.511 -0.918 3.676 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.864 0.457 1.687 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.802 -0.507 1.453 1.00 0.00 C ATOM 1327 C LEU B 20 -13.370 -1.715 0.706 1.00 0.00 C ATOM 1328 O LEU B 20 -12.691 -2.728 0.549 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.108 -0.868 2.768 1.00 0.00 C ATOM 1330 CG LEU B 20 -10.740 -1.543 2.641 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.891 -3.042 2.376 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -9.887 -0.855 1.574 1.00 0.00 C ATOM 0 H LEU B 20 -14.453 0.255 2.495 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.028 -0.075 0.818 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -11.989 0.043 3.355 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.766 -1.528 3.334 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.216 -1.436 3.591 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.904 -3.497 2.290 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.433 -3.504 3.201 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -11.443 -3.194 1.448 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -8.920 -1.354 1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.395 -0.910 0.611 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -9.737 0.190 1.846 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.611 -1.567 0.264 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.278 -2.633 -0.464 1.00 0.00 C ATOM 1346 C LYS B 21 -14.953 -2.509 -1.954 1.00 0.00 C ATOM 1347 O LYS B 21 -15.067 -3.480 -2.700 1.00 0.00 O ATOM 1348 CB LYS B 21 -16.778 -2.632 -0.159 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.469 -1.434 -0.813 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.991 -1.559 -0.715 1.00 0.00 C ATOM 1351 CE LYS B 21 -19.683 -0.368 -1.382 1.00 0.00 C ATOM 1352 NZ LYS B 21 -20.669 0.241 -0.462 1.00 0.00 N ATOM 0 H LYS B 21 -15.171 -0.725 0.396 1.00 0.00 H new ATOM 0 HA LYS B 21 -14.910 -3.606 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.227 -3.557 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -16.934 -2.602 0.919 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -17.144 -0.513 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.173 -1.365 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.315 -2.485 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -19.288 -1.617 0.332 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -18.941 0.375 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.182 -0.694 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -21.129 1.047 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.387 -0.466 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -20.185 0.570 0.397 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.555 -1.306 -2.342 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.213 -1.043 -3.729 1.00 0.00 C ATOM 1368 C ASN B 22 -12.701 -1.187 -3.913 1.00 0.00 C ATOM 1369 O ASN B 22 -12.241 -1.661 -4.951 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.605 0.380 -4.133 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.951 0.392 -4.860 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.163 -0.304 -5.839 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.846 1.221 -4.329 1.00 0.00 N ATOM 0 H ASN B 22 -14.462 -0.503 -1.720 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.754 -1.756 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.661 1.011 -3.246 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.835 0.804 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.775 1.302 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.603 1.776 -3.508 1.00 0.00 H new ATOM 1380 N ILE B 23 -11.970 -0.769 -2.890 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.520 -0.845 -2.926 1.00 0.00 C ATOM 1382 C ILE B 23 -10.095 -2.302 -3.120 1.00 0.00 C ATOM 1383 O ILE B 23 -10.601 -3.196 -2.444 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.918 -0.190 -1.681 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.773 1.321 -1.873 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.590 -0.849 -1.302 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.239 2.079 -0.629 1.00 0.00 C ATOM 0 H ILE B 23 -12.355 -0.377 -2.031 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.130 -0.283 -3.774 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.604 -0.345 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.732 1.566 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.357 1.639 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.184 -0.365 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.755 -1.906 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.884 -0.746 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.125 3.151 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.287 1.851 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.637 1.777 0.228 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.169 -2.496 -4.048 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.670 -3.829 -4.339 1.00 0.00 C ATOM 1401 C GLN B 24 -7.204 -3.952 -3.918 1.00 0.00 C ATOM 1402 O GLN B 24 -6.724 -5.049 -3.638 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.844 -4.168 -5.821 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.375 -5.592 -6.000 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.259 -6.621 -5.809 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.223 -7.365 -4.843 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.352 -6.621 -6.782 1.00 0.00 N ATOM 0 H GLN B 24 -8.752 -1.752 -4.608 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.254 -4.547 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.532 -3.459 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.889 -4.065 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.174 -5.779 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.808 -5.700 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.442 -5.971 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.567 -7.271 -6.747 1.00 0.00 H new ATOM 1416 N SER B 25 -6.533 -2.809 -3.887 1.00 0.00 N ATOM 1417 CA SER B 25 -5.132 -2.775 -3.504 1.00 0.00 C ATOM 1418 C SER B 25 -4.764 -1.382 -2.989 1.00 0.00 C ATOM 1419 O SER B 25 -5.499 -0.420 -3.211 1.00 0.00 O ATOM 1420 CB SER B 25 -4.231 -3.161 -4.679 1.00 0.00 C ATOM 1421 OG SER B 25 -4.981 -3.444 -5.857 1.00 0.00 O ATOM 0 H SER B 25 -6.934 -1.901 -4.121 1.00 0.00 H new ATOM 0 HA SER B 25 -4.977 -3.503 -2.707 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.531 -2.350 -4.881 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.637 -4.034 -4.409 1.00 0.00 H new ATOM 0 HG SER B 25 -4.370 -3.685 -6.584 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.627 -1.317 -2.312 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.153 -0.058 -1.763 1.00 0.00 C ATOM 1429 C VAL B 26 -1.710 0.177 -2.211 1.00 0.00 C ATOM 1430 O VAL B 26 -0.870 -0.715 -2.105 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.315 -0.055 -0.242 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.493 1.067 0.395 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -4.790 0.053 0.152 1.00 0.00 C ATOM 0 H VAL B 26 -3.020 -2.116 -2.131 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.750 0.772 -2.141 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.936 -1.004 0.137 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.626 1.047 1.477 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.439 0.926 0.156 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -2.828 2.029 0.006 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.877 0.053 1.238 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.206 0.979 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.339 -0.796 -0.256 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.465 1.383 -2.702 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.137 1.747 -3.167 1.00 0.00 C ATOM 1445 C LYS B 27 0.335 2.996 -2.420 1.00 0.00 C ATOM 1446 O LYS B 27 -0.289 4.052 -2.513 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.125 1.899 -4.689 1.00 0.00 C ATOM 1448 CG LYS B 27 1.237 2.397 -5.180 1.00 0.00 C ATOM 1449 CD LYS B 27 2.374 1.581 -4.562 1.00 0.00 C ATOM 1450 CE LYS B 27 3.737 2.111 -5.013 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.171 1.434 -6.256 1.00 0.00 N ATOM 0 H LYS B 27 -2.164 2.121 -2.788 1.00 0.00 H new ATOM 0 HA LYS B 27 0.576 0.953 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.356 0.941 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.904 2.598 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.284 2.327 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.358 3.449 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.306 1.621 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.273 0.534 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.679 3.187 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.475 1.949 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.097 1.805 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.246 0.411 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.475 1.610 -7.008 1.00 0.00 H new ATOM 1465 N VAL B 28 1.434 2.835 -1.698 1.00 0.00 N ATOM 1466 CA VAL B 28 1.997 3.937 -0.936 1.00 0.00 C ATOM 1467 C VAL B 28 3.314 4.376 -1.580 1.00 0.00 C ATOM 1468 O VAL B 28 4.240 3.578 -1.714 1.00 0.00 O ATOM 1469 CB VAL B 28 2.155 3.532 0.531 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.889 4.616 1.323 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.798 3.216 1.162 1.00 0.00 C ATOM 0 H VAL B 28 1.950 1.958 -1.624 1.00 0.00 H new ATOM 0 HA VAL B 28 1.325 4.795 -0.952 1.00 0.00 H new ATOM 0 HB VAL B 28 2.759 2.625 0.565 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.988 4.303 2.362 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.879 4.772 0.895 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.323 5.547 1.277 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.939 2.931 2.205 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.159 4.097 1.110 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.328 2.394 0.622 1.00 0.00 H new ATOM 1481 N LYS B 29 3.355 5.644 -1.962 1.00 0.00 N ATOM 1482 CA LYS B 29 4.543 6.199 -2.588 1.00 0.00 C ATOM 1483 C LYS B 29 5.058 7.370 -1.748 1.00 0.00 C ATOM 1484 O LYS B 29 4.787 8.528 -2.060 1.00 0.00 O ATOM 1485 CB LYS B 29 4.257 6.567 -4.046 1.00 0.00 C ATOM 1486 CG LYS B 29 5.554 6.654 -4.853 1.00 0.00 C ATOM 1487 CD LYS B 29 6.273 7.979 -4.594 1.00 0.00 C ATOM 1488 CE LYS B 29 6.858 8.548 -5.888 1.00 0.00 C ATOM 1489 NZ LYS B 29 8.172 7.932 -6.178 1.00 0.00 N ATOM 0 H LYS B 29 2.585 6.303 -1.850 1.00 0.00 H new ATOM 0 HA LYS B 29 5.339 5.455 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.597 5.822 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.733 7.522 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.208 5.823 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.332 6.558 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.576 8.696 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.070 7.828 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.173 8.364 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.968 9.629 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.437 8.128 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.891 8.331 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.113 6.904 -6.033 1.00 0.00 H new ATOM 1503 N SER B 30 5.790 7.026 -0.699 1.00 0.00 N ATOM 1504 CA SER B 30 6.345 8.034 0.188 1.00 0.00 C ATOM 1505 C SER B 30 6.932 9.186 -0.631 1.00 0.00 C ATOM 1506 O SER B 30 7.096 9.069 -1.844 1.00 0.00 O ATOM 1507 CB SER B 30 7.415 7.434 1.102 1.00 0.00 C ATOM 1508 OG SER B 30 7.893 6.183 0.616 1.00 0.00 O ATOM 0 H SER B 30 6.012 6.064 -0.443 1.00 0.00 H new ATOM 0 HA SER B 30 5.541 8.416 0.817 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.248 8.131 1.190 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.004 7.301 2.103 1.00 0.00 H new ATOM 0 HG SER B 30 8.262 5.663 1.360 1.00 0.00 H new ATOM 1514 N PRO B 31 7.240 10.301 0.085 1.00 0.00 N ATOM 1515 CA PRO B 31 7.804 11.473 -0.562 1.00 0.00 C ATOM 1516 C PRO B 31 9.277 11.249 -0.913 1.00 0.00 C ATOM 1517 O PRO B 31 9.870 10.249 -0.512 1.00 0.00 O ATOM 1518 CB PRO B 31 7.595 12.608 0.427 1.00 0.00 C ATOM 1519 CG PRO B 31 7.345 11.947 1.773 1.00 0.00 C ATOM 1520 CD PRO B 31 7.059 10.475 1.523 1.00 0.00 C ATOM 0 HA PRO B 31 7.324 11.700 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.470 13.257 0.467 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.749 13.230 0.134 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.213 12.062 2.422 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.503 12.419 2.280 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.740 9.838 2.088 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.047 10.211 1.830 1.00 0.00 H new ATOM 1528 N GLY B 32 9.825 12.198 -1.660 1.00 0.00 N ATOM 1529 CA GLY B 32 11.216 12.117 -2.069 1.00 0.00 C ATOM 1530 C GLY B 32 11.856 13.506 -2.114 1.00 0.00 C ATOM 1531 O GLY B 32 11.373 14.437 -1.471 1.00 0.00 O ATOM 0 H GLY B 32 9.330 13.026 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.766 11.481 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.283 11.650 -3.051 1.00 0.00 H new ATOM 1535 N PRO B 33 12.962 13.604 -2.899 1.00 0.00 N ATOM 1536 CA PRO B 33 13.673 14.864 -3.036 1.00 0.00 C ATOM 1537 C PRO B 33 12.905 15.832 -3.937 1.00 0.00 C ATOM 1538 O PRO B 33 13.364 16.944 -4.194 1.00 0.00 O ATOM 1539 CB PRO B 33 15.036 14.488 -3.594 1.00 0.00 C ATOM 1540 CG PRO B 33 14.876 13.096 -4.183 1.00 0.00 C ATOM 1541 CD PRO B 33 13.563 12.523 -3.674 1.00 0.00 C ATOM 0 HA PRO B 33 13.777 15.393 -2.089 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.356 15.200 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.794 14.496 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.877 13.140 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.710 12.459 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.917 12.220 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.729 11.639 -3.058 1.00 0.00 H new ATOM 1549 N HIS B 34 11.748 15.375 -4.392 1.00 0.00 N ATOM 1550 CA HIS B 34 10.911 16.187 -5.260 1.00 0.00 C ATOM 1551 C HIS B 34 9.627 16.570 -4.522 1.00 0.00 C ATOM 1552 O HIS B 34 9.280 17.747 -4.443 1.00 0.00 O ATOM 1553 CB HIS B 34 10.643 15.468 -6.584 1.00 0.00 C ATOM 1554 CG HIS B 34 10.566 13.965 -6.462 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.658 13.183 -6.128 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.517 13.110 -6.632 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.272 11.916 -6.102 1.00 0.00 C ATOM 1558 NE2 HIS B 34 9.946 11.872 -6.416 1.00 0.00 N ATOM 0 H HIS B 34 11.370 14.453 -4.176 1.00 0.00 H new ATOM 0 HA HIS B 34 11.432 17.110 -5.514 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.707 15.837 -7.003 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.432 15.725 -7.291 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.509 13.392 -6.897 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.898 11.067 -5.872 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.377 11.027 -6.475 1.00 0.00 H new ATOM 1566 N CYS B 35 8.956 15.553 -4.000 1.00 0.00 N ATOM 1567 CA CYS B 35 7.718 15.768 -3.272 1.00 0.00 C ATOM 1568 C CYS B 35 7.958 15.417 -1.802 1.00 0.00 C ATOM 1569 O CYS B 35 8.299 14.281 -1.479 1.00 0.00 O ATOM 1570 CB CYS B 35 6.563 14.962 -3.869 1.00 0.00 C ATOM 1571 SG CYS B 35 4.956 15.177 -3.019 1.00 0.00 S ATOM 0 H CYS B 35 9.247 14.578 -4.067 1.00 0.00 H new ATOM 0 HA CYS B 35 7.424 16.814 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS B 35 6.445 15.243 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.829 13.905 -3.851 1.00 0.00 H new ATOM 1576 N ALA B 36 7.770 16.415 -0.950 1.00 0.00 N ATOM 1577 CA ALA B 36 7.962 16.226 0.477 1.00 0.00 C ATOM 1578 C ALA B 36 6.629 15.836 1.120 1.00 0.00 C ATOM 1579 O ALA B 36 6.427 16.046 2.314 1.00 0.00 O ATOM 1580 CB ALA B 36 8.552 17.500 1.086 1.00 0.00 C ATOM 0 H ALA B 36 7.487 17.357 -1.221 1.00 0.00 H new ATOM 0 HA ALA B 36 8.668 15.417 0.665 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.696 17.358 2.157 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.511 17.717 0.616 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.869 18.333 0.919 1.00 0.00 H new ATOM 1586 N GLN B 37 5.755 15.274 0.298 1.00 0.00 N ATOM 1587 CA GLN B 37 4.447 14.853 0.770 1.00 0.00 C ATOM 1588 C GLN B 37 4.168 13.410 0.344 1.00 0.00 C ATOM 1589 O GLN B 37 4.709 12.939 -0.655 1.00 0.00 O ATOM 1590 CB GLN B 37 3.352 15.795 0.266 1.00 0.00 C ATOM 1591 CG GLN B 37 3.825 17.249 0.292 1.00 0.00 C ATOM 1592 CD GLN B 37 3.969 17.804 -1.126 1.00 0.00 C ATOM 1593 OE1 GLN B 37 3.042 17.800 -1.919 1.00 0.00 O ATOM 1594 NE2 GLN B 37 5.181 18.281 -1.400 1.00 0.00 N ATOM 0 H GLN B 37 5.927 15.100 -0.692 1.00 0.00 H new ATOM 0 HA GLN B 37 4.444 14.897 1.859 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.069 15.519 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.461 15.687 0.885 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.115 17.856 0.854 1.00 0.00 H new ATOM 0 HG3 GLN B 37 4.781 17.315 0.811 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.912 18.254 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN B 37 5.378 18.674 -2.320 1.00 0.00 H new ATOM 1603 N THR B 38 3.325 12.749 1.123 1.00 0.00 N ATOM 1604 CA THR B 38 2.968 11.369 0.839 1.00 0.00 C ATOM 1605 C THR B 38 1.945 11.306 -0.297 1.00 0.00 C ATOM 1606 O THR B 38 1.238 12.279 -0.555 1.00 0.00 O ATOM 1607 CB THR B 38 2.473 10.732 2.139 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.412 11.166 3.118 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.615 9.208 2.135 1.00 0.00 C ATOM 0 H THR B 38 2.878 13.143 1.951 1.00 0.00 H new ATOM 0 HA THR B 38 3.830 10.801 0.490 1.00 0.00 H new ATOM 0 HB THR B 38 1.428 10.999 2.299 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.165 10.800 3.993 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.250 8.806 3.080 1.00 0.00 H new ATOM 0 HG22 THR B 38 2.033 8.790 1.314 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.664 8.941 2.009 1.00 0.00 H new ATOM 1617 N GLU B 39 1.899 10.152 -0.946 1.00 0.00 N ATOM 1618 CA GLU B 39 0.975 9.949 -2.048 1.00 0.00 C ATOM 1619 C GLU B 39 0.426 8.521 -2.025 1.00 0.00 C ATOM 1620 O GLU B 39 0.981 7.629 -2.666 1.00 0.00 O ATOM 1621 CB GLU B 39 1.644 10.258 -3.389 1.00 0.00 C ATOM 1622 CG GLU B 39 1.385 11.706 -3.810 1.00 0.00 C ATOM 1623 CD GLU B 39 2.343 12.664 -3.100 1.00 0.00 C ATOM 1624 OE1 GLU B 39 3.550 12.341 -3.070 1.00 0.00 O ATOM 1625 OE2 GLU B 39 1.846 13.698 -2.602 1.00 0.00 O ATOM 0 H GLU B 39 2.487 9.347 -0.729 1.00 0.00 H new ATOM 0 HA GLU B 39 0.140 10.640 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.717 10.084 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.265 9.580 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.504 11.801 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.355 11.977 -3.577 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.656 8.349 -1.281 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.286 7.045 -1.166 1.00 0.00 C ATOM 1634 C VAL B 40 -2.249 6.843 -2.338 1.00 0.00 C ATOM 1635 O VAL B 40 -3.124 7.673 -2.576 1.00 0.00 O ATOM 1636 CB VAL B 40 -1.967 6.910 0.197 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -2.603 5.528 0.359 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -0.982 7.197 1.333 1.00 0.00 C ATOM 0 H VAL B 40 -1.113 9.091 -0.751 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.538 6.254 -1.220 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.763 7.653 0.248 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.080 5.459 1.337 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.350 5.378 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -1.833 4.761 0.276 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.492 7.094 2.291 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.154 6.489 1.284 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.598 8.212 1.234 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.054 5.735 -3.038 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.894 5.414 -4.180 1.00 0.00 C ATOM 1650 C ILE B 41 -3.503 4.024 -3.984 1.00 0.00 C ATOM 1651 O ILE B 41 -2.792 3.021 -4.010 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.107 5.563 -5.483 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.326 6.878 -5.505 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.026 5.421 -6.698 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.181 6.622 -5.454 1.00 0.00 C ATOM 0 H ILE B 41 -1.327 5.048 -2.837 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.723 6.118 -4.254 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.377 4.755 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.573 7.437 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.622 7.495 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.441 5.531 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.497 4.438 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.795 6.193 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.712 7.574 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.428 6.085 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.478 6.025 -6.316 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.814 4.010 -3.791 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.527 2.759 -3.591 1.00 0.00 C ATOM 1669 C ALA B 42 -6.182 2.335 -4.907 1.00 0.00 C ATOM 1670 O ALA B 42 -6.877 3.127 -5.543 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.544 2.927 -2.461 1.00 0.00 C ATOM 0 H ALA B 42 -5.401 4.844 -3.769 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.839 1.967 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.079 1.989 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.025 3.200 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.254 3.711 -2.724 1.00 0.00 H new ATOM 1677 N THR B 43 -5.939 1.086 -5.277 1.00 0.00 N ATOM 1678 CA THR B 43 -6.496 0.547 -6.505 1.00 0.00 C ATOM 1679 C THR B 43 -7.952 0.128 -6.291 1.00 0.00 C ATOM 1680 O THR B 43 -8.315 -0.342 -5.214 1.00 0.00 O ATOM 1681 CB THR B 43 -5.596 -0.600 -6.969 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.408 0.049 -7.413 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.132 -1.294 -8.224 1.00 0.00 C ATOM 0 H THR B 43 -5.363 0.432 -4.747 1.00 0.00 H new ATOM 0 HA THR B 43 -6.519 1.300 -7.293 1.00 0.00 H new ATOM 0 HB THR B 43 -5.495 -1.330 -6.166 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.768 -0.622 -7.730 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.456 -2.100 -8.511 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.120 -1.705 -8.018 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.201 -0.572 -9.038 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.748 0.315 -7.334 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.156 -0.037 -7.274 1.00 0.00 C ATOM 1693 C LEU B 44 -10.346 -1.456 -7.814 1.00 0.00 C ATOM 1694 O LEU B 44 -9.583 -1.907 -8.667 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.002 1.013 -7.996 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.223 1.531 -7.233 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.732 2.842 -7.836 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.320 0.467 -7.166 1.00 0.00 C ATOM 0 H LEU B 44 -8.444 0.706 -8.226 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.504 -0.039 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.363 1.862 -8.238 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.342 0.590 -8.941 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.919 1.745 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.600 3.188 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.945 3.595 -7.787 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.014 2.679 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.176 0.861 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.628 0.198 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.939 -0.417 -6.655 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.368 -2.121 -7.294 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.667 -3.479 -7.713 1.00 0.00 C ATOM 1712 C LYS B 45 -12.295 -3.452 -9.108 1.00 0.00 C ATOM 1713 O LYS B 45 -12.556 -4.500 -9.696 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.530 -4.185 -6.665 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.661 -5.678 -6.977 1.00 0.00 C ATOM 1716 CD LYS B 45 -13.906 -5.953 -7.822 1.00 0.00 C ATOM 1717 CE LYS B 45 -15.054 -6.473 -6.954 1.00 0.00 C ATOM 1718 NZ LYS B 45 -15.410 -7.857 -7.339 1.00 0.00 N ATOM 0 H LYS B 45 -11.999 -1.744 -6.587 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.751 -4.065 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.089 -4.054 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.519 -3.728 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.773 -6.022 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.716 -6.244 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.214 -5.039 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.671 -6.684 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.765 -6.445 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.923 -5.824 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.191 -8.194 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.706 -7.875 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.584 -8.476 -7.212 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.520 -2.241 -9.597 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.112 -2.063 -10.912 1.00 0.00 C ATOM 1734 C ASN B 46 -12.008 -1.763 -11.927 1.00 0.00 C ATOM 1735 O ASN B 46 -12.255 -1.746 -13.132 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.093 -0.889 -10.920 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.984 -0.091 -12.221 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.286 -0.572 -13.301 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -13.536 1.150 -12.058 1.00 0.00 N ATOM 0 H ASN B 46 -12.303 -1.374 -9.106 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.644 -2.979 -11.169 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.111 -1.260 -10.801 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.891 -0.236 -10.071 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.427 1.763 -12.866 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.301 1.489 -11.125 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.813 -1.533 -11.404 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.670 -1.234 -12.250 1.00 0.00 C ATOM 1748 C GLY B 47 -9.228 0.221 -12.081 1.00 0.00 C ATOM 1749 O GLY B 47 -8.148 0.601 -12.529 1.00 0.00 O ATOM 0 H GLY B 47 -10.611 -1.548 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.844 -1.900 -12.000 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.926 -1.421 -13.293 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.087 0.995 -11.434 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.798 2.400 -11.200 1.00 0.00 C ATOM 1755 C GLN B 48 -8.874 2.558 -9.991 1.00 0.00 C ATOM 1756 O GLN B 48 -8.391 1.570 -9.441 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.089 3.200 -11.012 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.625 3.700 -12.355 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.898 4.527 -12.164 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.693 4.292 -11.269 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -13.045 5.506 -13.052 1.00 0.00 N ATOM 0 H GLN B 48 -10.983 0.676 -11.065 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.287 2.797 -12.077 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.840 2.577 -10.526 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.903 4.048 -10.352 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.866 4.304 -12.851 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.833 2.851 -13.006 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -12.341 5.648 -13.776 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -13.862 6.115 -13.009 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.655 3.810 -9.614 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.797 4.110 -8.481 1.00 0.00 C ATOM 1772 C LYS B 49 -8.327 5.351 -7.760 1.00 0.00 C ATOM 1773 O LYS B 49 -8.848 6.267 -8.395 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.340 4.236 -8.931 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.891 2.987 -9.692 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.438 3.118 -10.152 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.891 1.771 -10.631 1.00 0.00 C ATOM 1778 NZ LYS B 49 -3.677 1.790 -12.095 1.00 0.00 N ATOM 0 H LYS B 49 -9.057 4.627 -10.073 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.815 3.291 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.227 5.114 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.699 4.387 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.996 2.110 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.537 2.831 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.372 3.849 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.825 3.492 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -2.952 1.552 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.588 0.975 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.306 0.869 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.580 1.978 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.995 2.537 -12.336 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.176 5.342 -6.444 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.634 6.455 -5.630 1.00 0.00 C ATOM 1794 C ALA B 50 -7.553 6.812 -4.607 1.00 0.00 C ATOM 1795 O ALA B 50 -7.274 6.033 -3.697 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.965 6.092 -4.969 1.00 0.00 C ATOM 0 H ALA B 50 -7.743 4.581 -5.921 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.807 7.336 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.308 6.927 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.706 5.876 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.830 5.213 -4.338 1.00 0.00 H new ATOM 1802 N CYS B 51 -6.973 7.988 -4.793 1.00 0.00 N ATOM 1803 CA CYS B 51 -5.929 8.457 -3.897 1.00 0.00 C ATOM 1804 C CYS B 51 -6.549 8.698 -2.520 1.00 0.00 C ATOM 1805 O CYS B 51 -7.668 9.200 -2.418 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.240 9.711 -4.440 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.561 9.434 -5.112 1.00 0.00 S ATOM 0 H CYS B 51 -7.206 8.630 -5.550 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.149 7.700 -3.815 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.864 10.140 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.179 10.450 -3.641 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.797 8.328 -1.494 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.259 8.497 -0.127 1.00 0.00 C ATOM 1814 C LEU B 52 -5.417 9.573 0.562 1.00 0.00 C ATOM 1815 O LEU B 52 -4.347 9.936 0.074 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.262 7.155 0.607 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.122 6.053 -0.014 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.729 4.678 0.531 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.611 6.343 0.183 1.00 0.00 C ATOM 0 H LEU B 52 -4.870 7.911 -1.582 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.292 8.844 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.235 6.795 0.669 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.604 7.323 1.628 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.936 6.039 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.356 3.913 0.073 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.683 4.479 0.296 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.868 4.662 1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.200 5.544 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.833 6.400 1.249 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.863 7.292 -0.291 1.00 0.00 H new ATOM 1831 N ASN B 53 -5.931 10.053 1.684 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.240 11.080 2.445 1.00 0.00 C ATOM 1833 C ASN B 53 -4.465 10.426 3.590 1.00 0.00 C ATOM 1834 O ASN B 53 -5.060 9.822 4.481 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.230 12.076 3.052 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.534 13.389 3.417 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.556 13.792 2.810 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.091 14.030 4.440 1.00 0.00 N ATOM 0 H ASN B 53 -6.818 9.750 2.085 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.568 11.607 1.767 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.035 12.272 2.343 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.687 11.643 3.942 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.700 14.916 4.761 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.910 13.636 4.904 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.114 10.573 3.528 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.252 10.003 4.549 1.00 0.00 C ATOM 1847 C PRO B 54 -2.316 10.822 5.840 1.00 0.00 C ATOM 1848 O PRO B 54 -1.647 10.495 6.820 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.865 9.983 3.926 1.00 0.00 C ATOM 1850 CG PRO B 54 -0.916 10.963 2.765 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.376 11.282 2.487 1.00 0.00 C ATOM 0 HA PRO B 54 -2.556 8.999 4.844 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.106 10.276 4.652 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.606 8.982 3.581 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.366 11.872 3.009 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.444 10.533 1.881 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.562 12.355 2.530 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.672 10.947 1.493 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.126 11.869 5.799 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.286 12.737 6.953 1.00 0.00 C ATOM 1861 C ALA B 55 -4.657 12.492 7.585 1.00 0.00 C ATOM 1862 O ALA B 55 -5.114 13.279 8.412 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.092 14.194 6.528 1.00 0.00 C ATOM 0 H ALA B 55 -3.679 12.136 4.984 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.531 12.514 7.707 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.212 14.845 7.394 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.092 14.322 6.114 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.834 14.455 5.773 1.00 0.00 H new ATOM 1869 N SER B 56 -5.277 11.396 7.170 1.00 0.00 N ATOM 1870 CA SER B 56 -6.588 11.037 7.684 1.00 0.00 C ATOM 1871 C SER B 56 -6.480 9.792 8.566 1.00 0.00 C ATOM 1872 O SER B 56 -5.694 8.890 8.280 1.00 0.00 O ATOM 1873 CB SER B 56 -7.580 10.797 6.544 1.00 0.00 C ATOM 1874 OG SER B 56 -8.755 10.127 6.992 1.00 0.00 O ATOM 0 H SER B 56 -4.895 10.745 6.484 1.00 0.00 H new ATOM 0 HA SER B 56 -6.960 11.868 8.283 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.855 11.752 6.096 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.100 10.206 5.764 1.00 0.00 H new ATOM 0 HG SER B 56 -9.321 9.908 6.222 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.304 9.781 9.648 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.310 8.661 10.573 1.00 0.00 C ATOM 1882 C PRO B 57 -8.030 7.454 9.969 1.00 0.00 C ATOM 1883 O PRO B 57 -7.757 6.313 10.340 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.986 9.190 11.827 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.747 10.433 11.398 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.249 10.831 10.017 1.00 0.00 C ATOM 0 HA PRO B 57 -6.308 8.298 10.800 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.661 8.446 12.250 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.251 9.428 12.596 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.819 10.236 11.375 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.587 11.243 12.110 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.070 10.894 9.303 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.767 11.809 10.036 1.00 0.00 H new ATOM 1894 N MET B 58 -8.937 7.746 9.048 1.00 0.00 N ATOM 1895 CA MET B 58 -9.699 6.699 8.389 1.00 0.00 C ATOM 1896 C MET B 58 -8.888 6.058 7.262 1.00 0.00 C ATOM 1897 O MET B 58 -9.188 4.945 6.831 1.00 0.00 O ATOM 1898 CB MET B 58 -10.990 7.290 7.818 1.00 0.00 C ATOM 1899 CG MET B 58 -12.219 6.610 8.424 1.00 0.00 C ATOM 1900 SD MET B 58 -12.979 7.685 9.629 1.00 0.00 S ATOM 1901 CE MET B 58 -11.976 7.308 11.057 1.00 0.00 C ATOM 0 H MET B 58 -9.161 8.693 8.743 1.00 0.00 H new ATOM 0 HA MET B 58 -9.935 5.929 9.124 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.025 8.360 8.021 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.001 7.170 6.735 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.935 6.367 7.639 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.930 5.670 8.894 1.00 0.00 H new ATOM 0 HE1 MET B 58 -12.362 7.844 11.924 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.006 6.236 11.250 1.00 0.00 H new ATOM 0 HE3 MET B 58 -10.947 7.614 10.870 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.875 6.787 6.816 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.019 6.303 5.746 1.00 0.00 C ATOM 1913 C VAL B 59 -5.966 5.359 6.330 1.00 0.00 C ATOM 1914 O VAL B 59 -5.184 4.762 5.591 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.409 7.484 4.989 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.278 7.020 4.069 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.479 8.243 4.203 1.00 0.00 C ATOM 0 H VAL B 59 -7.628 7.709 7.176 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.599 5.734 5.020 1.00 0.00 H new ATOM 0 HB VAL B 59 -5.984 8.169 5.723 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.862 7.879 3.543 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.497 6.545 4.663 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.668 6.305 3.345 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.019 9.078 3.674 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.947 7.571 3.483 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.235 8.622 4.890 1.00 0.00 H new ATOM 1927 N LYS B 60 -5.979 5.253 7.651 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.035 4.392 8.342 1.00 0.00 C ATOM 1929 C LYS B 60 -5.770 3.161 8.876 1.00 0.00 C ATOM 1930 O LYS B 60 -5.176 2.324 9.555 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.285 5.176 9.421 1.00 0.00 C ATOM 1932 CG LYS B 60 -3.768 6.507 8.872 1.00 0.00 C ATOM 1933 CD LYS B 60 -2.562 6.292 7.956 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.269 6.191 8.767 1.00 0.00 C ATOM 1935 NZ LYS B 60 -0.855 7.527 9.250 1.00 0.00 N ATOM 0 H LYS B 60 -6.629 5.749 8.261 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.271 4.033 7.652 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.946 5.360 10.268 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.450 4.583 9.792 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.562 7.010 8.321 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.489 7.161 9.698 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.702 5.382 7.373 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.487 7.117 7.247 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.415 5.521 9.614 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -0.480 5.759 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.138 7.493 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.957 8.221 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.455 7.808 10.052 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.052 3.089 8.549 1.00 0.00 N ATOM 1950 CA LYS B 61 -7.874 1.974 8.986 1.00 0.00 C ATOM 1951 C LYS B 61 -8.428 1.242 7.762 1.00 0.00 C ATOM 1952 O LYS B 61 -8.919 0.120 7.874 1.00 0.00 O ATOM 1953 CB LYS B 61 -8.956 2.454 9.956 1.00 0.00 C ATOM 1954 CG LYS B 61 -10.142 3.057 9.201 1.00 0.00 C ATOM 1955 CD LYS B 61 -11.284 2.046 9.077 1.00 0.00 C ATOM 1956 CE LYS B 61 -12.555 2.717 8.554 1.00 0.00 C ATOM 1957 NZ LYS B 61 -13.480 1.708 7.990 1.00 0.00 N ATOM 0 H LYS B 61 -7.541 3.785 7.986 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.274 1.255 9.543 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.297 1.619 10.568 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -8.537 3.197 10.635 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -10.495 3.947 9.722 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -9.823 3.374 8.208 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.990 1.241 8.404 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -11.481 1.593 10.049 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -13.047 3.258 9.363 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -12.298 3.451 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -14.338 2.181 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -13.014 1.210 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -13.739 1.023 8.729 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.330 1.907 6.620 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.814 1.334 5.376 1.00 0.00 C ATOM 1973 C ILE B 62 -7.667 0.603 4.676 1.00 0.00 C ATOM 1974 O ILE B 62 -7.898 -0.203 3.775 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.476 2.410 4.513 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.616 3.096 5.268 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.942 1.830 3.175 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.778 4.549 4.817 1.00 0.00 C ATOM 0 H ILE B 62 -7.922 2.838 6.530 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.590 0.594 5.573 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.732 3.175 4.291 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.546 2.554 5.100 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.418 3.064 6.339 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.409 2.615 2.581 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.085 1.427 2.635 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.664 1.034 3.355 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.595 5.013 5.370 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.854 5.095 5.009 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -11.000 4.576 3.750 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.456 0.910 5.115 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.273 0.292 4.542 1.00 0.00 C ATOM 1992 C ILE B 63 -4.873 -0.918 5.389 1.00 0.00 C ATOM 1993 O ILE B 63 -4.741 -2.026 4.872 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.155 1.324 4.378 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.435 2.252 3.194 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.791 0.641 4.261 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.791 3.623 3.408 1.00 0.00 C ATOM 0 H ILE B 63 -6.268 1.579 5.862 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.485 -0.077 3.538 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.128 1.944 5.274 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -4.050 1.804 2.278 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.511 2.368 3.065 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.014 1.397 4.145 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.598 0.057 5.161 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.788 -0.018 3.393 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.005 4.263 2.552 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.196 4.078 4.312 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.712 3.506 3.513 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.691 -0.664 6.677 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.310 -1.719 7.601 1.00 0.00 C ATOM 2011 C GLU B 64 -5.293 -2.887 7.509 1.00 0.00 C ATOM 2012 O GLU B 64 -4.902 -4.045 7.646 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.221 -1.187 9.033 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.083 -0.175 9.173 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.300 0.729 10.388 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.060 0.304 11.284 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -2.699 1.826 10.394 1.00 0.00 O ATOM 0 H GLU B 64 -4.800 0.257 7.102 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.321 -2.081 7.321 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.165 -0.718 9.310 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.062 -2.016 9.723 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.134 -0.701 9.272 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.018 0.432 8.270 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.552 -2.542 7.278 1.00 0.00 N ATOM 2025 CA LYS B 65 -7.595 -3.548 7.167 1.00 0.00 C ATOM 2026 C LYS B 65 -7.432 -4.301 5.845 1.00 0.00 C ATOM 2027 O LYS B 65 -7.674 -5.505 5.778 1.00 0.00 O ATOM 2028 CB LYS B 65 -8.974 -2.911 7.346 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.257 -2.620 8.821 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.730 -2.271 9.039 1.00 0.00 C ATOM 2031 CE LYS B 65 -10.957 -1.699 10.439 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.365 -1.273 10.604 1.00 0.00 N ATOM 0 H LYS B 65 -6.873 -1.580 7.165 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.503 -4.283 7.967 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.028 -1.986 6.772 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.740 -3.577 6.950 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.993 -3.489 9.424 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.630 -1.795 9.159 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.050 -1.547 8.290 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.342 -3.162 8.903 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.708 -2.449 11.189 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.293 -0.851 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -12.501 -0.887 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -12.591 -0.542 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.993 -2.091 10.468 1.00 0.00 H new ATOM 2046 N MET B 66 -7.022 -3.561 4.825 1.00 0.00 N ATOM 2047 CA MET B 66 -6.824 -4.143 3.509 1.00 0.00 C ATOM 2048 C MET B 66 -5.840 -5.313 3.570 1.00 0.00 C ATOM 2049 O MET B 66 -6.011 -6.310 2.870 1.00 0.00 O ATOM 2050 CB MET B 66 -6.289 -3.075 2.553 1.00 0.00 C ATOM 2051 CG MET B 66 -7.256 -2.847 1.390 1.00 0.00 C ATOM 2052 SD MET B 66 -7.240 -4.257 0.296 1.00 0.00 S ATOM 2053 CE MET B 66 -5.486 -4.394 -0.007 1.00 0.00 C ATOM 0 H MET B 66 -6.821 -2.563 4.884 1.00 0.00 H new ATOM 0 HA MET B 66 -7.783 -4.517 3.150 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.138 -2.141 3.094 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.316 -3.381 2.167 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.264 -2.684 1.771 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.973 -1.948 0.842 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.320 -4.827 -0.994 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.031 -3.405 0.037 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.035 -5.035 0.751 1.00 0.00 H new ATOM 2063 N LEU B 67 -4.830 -5.153 4.413 1.00 0.00 N ATOM 2064 CA LEU B 67 -3.819 -6.183 4.575 1.00 0.00 C ATOM 2065 C LEU B 67 -4.443 -7.402 5.258 1.00 0.00 C ATOM 2066 O LEU B 67 -3.868 -8.489 5.243 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.598 -5.625 5.308 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.647 -4.767 4.471 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.396 -3.616 3.798 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.471 -4.271 5.315 1.00 0.00 C ATOM 0 H LEU B 67 -4.691 -4.324 4.991 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.454 -6.514 3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.946 -5.029 6.151 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.033 -6.461 5.721 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.234 -5.389 3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.697 -3.022 3.209 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.170 -4.018 3.145 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -2.856 -2.986 4.560 1.00 0.00 H new ATOM 0 HD21 LEU B 67 0.190 -3.664 4.697 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -0.846 -3.671 6.144 1.00 0.00 H new ATOM 0 HD23 LEU B 67 0.082 -5.125 5.706 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.611 -7.179 5.841 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.320 -8.246 6.529 1.00 0.00 C ATOM 2084 C LYS B 68 -7.458 -8.752 5.640 1.00 0.00 C ATOM 2085 O LYS B 68 -7.841 -9.918 5.720 1.00 0.00 O ATOM 2086 CB LYS B 68 -6.780 -7.779 7.911 1.00 0.00 C ATOM 2087 CG LYS B 68 -5.803 -8.235 8.997 1.00 0.00 C ATOM 2088 CD LYS B 68 -6.523 -8.440 10.331 1.00 0.00 C ATOM 2089 CE LYS B 68 -5.992 -7.477 11.395 1.00 0.00 C ATOM 2090 NZ LYS B 68 -7.091 -7.021 12.275 1.00 0.00 N ATOM 0 H LYS B 68 -6.085 -6.276 5.852 1.00 0.00 H new ATOM 0 HA LYS B 68 -5.656 -9.091 6.709 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.861 -6.692 7.923 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.773 -8.175 8.121 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.323 -9.165 8.692 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -5.014 -7.493 9.116 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.594 -8.286 10.198 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -6.388 -9.468 10.667 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -5.223 -7.970 11.989 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -5.522 -6.618 10.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -6.714 -6.368 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -7.811 -6.532 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -7.521 -7.842 12.747 1.00 0.00 H new ATOM 2104 N ASN B 69 -7.967 -7.849 4.814 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.053 -8.190 3.911 1.00 0.00 C ATOM 2106 C ASN B 69 -10.274 -8.616 4.728 1.00 0.00 C ATOM 2107 O ASN B 69 -11.210 -7.837 4.906 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.666 -9.354 2.997 1.00 0.00 C ATOM 2109 CG ASN B 69 -9.880 -9.867 2.219 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.455 -9.180 1.391 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.235 -11.110 2.531 1.00 0.00 N ATOM 0 H ASN B 69 -7.647 -6.882 4.751 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.273 -7.313 3.303 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -7.892 -9.032 2.300 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.242 -10.163 3.592 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -11.033 -11.544 2.067 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.709 -11.629 3.234 1.00 0.00 H new