USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -165:sc= -0.0295 (180deg=-0.25) USER MOD Set 2.1: A 13 SER OG : rot 160:sc= 0.579 USER MOD Set 2.2: A 19 ASN : amide:sc= 0.248 K(o=0.83,f=-3.8!) USER MOD Set 3.1: A 17 GLN : amide:sc= 0.0601 K(o=-0.0088,f=-0.99) USER MOD Set 3.2: A 18 HIS : no HD1:sc= -0.069 K(o=-0.0088,f=-0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0697) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 10 TYR OH : rot 136:sc= 1.34 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 20 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 22 MET CE :methyl -131:sc= -0.0646 (180deg=-0.248) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -1.2 (180deg=-1.87!) USER MOD Single : A 30 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 69:sc= 0.9 USER MOD Single : A 37 LYS NZ :NH3+ -136:sc= -0.88 (180deg=-3.16!) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.126) USER MOD Single : A 47 SER OG : rot -55:sc= -0.0298 USER MOD Single : A 49 SER OG : rot -35:sc= 0.559 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.631) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.759 3.444 0.301 1.00 55.23 N ATOM 2 CA MET A 1 -14.838 4.362 0.998 1.00 33.10 C ATOM 3 C MET A 1 -13.452 3.711 1.141 1.00 55.12 C ATOM 4 O MET A 1 -13.052 3.262 2.230 1.00 73.11 O ATOM 5 CB MET A 1 -15.424 4.789 2.371 1.00 65.31 C ATOM 6 CG MET A 1 -16.750 5.562 2.285 1.00 33.32 C ATOM 7 SD MET A 1 -16.589 7.102 1.350 1.00 34.05 S ATOM 8 CE MET A 1 -18.257 7.765 1.423 1.00 32.54 C ATOM 0 H1 MET A 1 -16.648 3.940 0.089 1.00 55.23 H new ATOM 0 H2 MET A 1 -15.322 3.121 -0.586 1.00 55.23 H new ATOM 0 H3 MET A 1 -15.957 2.623 0.908 1.00 55.23 H new ATOM 0 HA MET A 1 -14.720 5.268 0.404 1.00 33.10 H new ATOM 0 HB2 MET A 1 -15.576 3.898 2.980 1.00 65.31 H new ATOM 0 HB3 MET A 1 -14.690 5.407 2.889 1.00 65.31 H new ATOM 0 HG2 MET A 1 -17.505 4.932 1.815 1.00 33.32 H new ATOM 0 HG3 MET A 1 -17.103 5.786 3.292 1.00 33.32 H new ATOM 0 HE1 MET A 1 -18.296 8.712 0.885 1.00 32.54 H new ATOM 0 HE2 MET A 1 -18.950 7.059 0.965 1.00 32.54 H new ATOM 0 HE3 MET A 1 -18.539 7.926 2.463 1.00 32.54 H new ATOM 20 N ARG A 2 -12.753 3.615 -0.001 1.00 22.34 N ATOM 21 CA ARG A 2 -11.349 3.182 -0.064 1.00 22.33 C ATOM 22 C ARG A 2 -10.675 3.792 -1.304 1.00 42.14 C ATOM 23 O ARG A 2 -11.351 4.134 -2.280 1.00 52.45 O ATOM 24 CB ARG A 2 -11.193 1.619 -0.071 1.00 44.11 C ATOM 25 CG ARG A 2 -11.618 0.884 -1.372 1.00 13.44 C ATOM 26 CD ARG A 2 -13.141 0.749 -1.559 1.00 63.32 C ATOM 27 NE ARG A 2 -13.480 0.150 -2.868 1.00 14.31 N ATOM 28 CZ ARG A 2 -13.557 -1.161 -3.141 1.00 64.14 C ATOM 29 NH1 ARG A 2 -13.315 -2.080 -2.212 1.00 31.53 N ATOM 30 NH2 ARG A 2 -13.870 -1.546 -4.369 1.00 73.21 N ATOM 0 H ARG A 2 -13.150 3.838 -0.914 1.00 22.34 H new ATOM 0 HA ARG A 2 -10.858 3.540 0.841 1.00 22.33 H new ATOM 0 HB2 ARG A 2 -10.149 1.380 0.130 1.00 44.11 H new ATOM 0 HB3 ARG A 2 -11.777 1.214 0.755 1.00 44.11 H new ATOM 0 HG2 ARG A 2 -11.205 1.418 -2.228 1.00 13.44 H new ATOM 0 HG3 ARG A 2 -11.174 -0.112 -1.374 1.00 13.44 H new ATOM 0 HD2 ARG A 2 -13.553 0.133 -0.759 1.00 63.32 H new ATOM 0 HD3 ARG A 2 -13.606 1.731 -1.477 1.00 63.32 H new ATOM 0 HE ARG A 2 -13.673 0.794 -3.635 1.00 14.31 H new ATOM 0 HH11 ARG A 2 -13.064 -1.795 -1.265 1.00 31.53 H new ATOM 0 HH12 ARG A 2 -13.380 -3.071 -2.445 1.00 31.53 H new ATOM 0 HH21 ARG A 2 -14.049 -0.849 -5.092 1.00 73.21 H new ATOM 0 HH22 ARG A 2 -13.932 -2.539 -4.592 1.00 73.21 H new ATOM 44 N ILE A 3 -9.350 3.939 -1.252 1.00 15.13 N ATOM 45 CA ILE A 3 -8.525 4.309 -2.411 1.00 60.20 C ATOM 46 C ILE A 3 -7.768 3.065 -2.868 1.00 44.41 C ATOM 47 O ILE A 3 -6.964 2.525 -2.118 1.00 70.40 O ATOM 48 CB ILE A 3 -7.509 5.460 -2.058 1.00 63.22 C ATOM 49 CG1 ILE A 3 -8.288 6.720 -1.573 1.00 50.43 C ATOM 50 CG2 ILE A 3 -6.578 5.795 -3.260 1.00 42.41 C ATOM 51 CD1 ILE A 3 -7.432 7.935 -1.285 1.00 13.12 C ATOM 0 H ILE A 3 -8.811 3.804 -0.397 1.00 15.13 H new ATOM 0 HA ILE A 3 -9.171 4.683 -3.205 1.00 60.20 H new ATOM 0 HB ILE A 3 -6.864 5.115 -1.250 1.00 63.22 H new ATOM 0 HG12 ILE A 3 -9.025 6.986 -2.331 1.00 50.43 H new ATOM 0 HG13 ILE A 3 -8.839 6.461 -0.669 1.00 50.43 H new ATOM 0 HG21 ILE A 3 -5.892 6.593 -2.977 1.00 42.41 H new ATOM 0 HG22 ILE A 3 -6.008 4.908 -3.537 1.00 42.41 H new ATOM 0 HG23 ILE A 3 -7.181 6.119 -4.108 1.00 42.41 H new ATOM 0 HD11 ILE A 3 -8.067 8.757 -0.954 1.00 13.12 H new ATOM 0 HD12 ILE A 3 -6.712 7.695 -0.503 1.00 13.12 H new ATOM 0 HD13 ILE A 3 -6.900 8.228 -2.190 1.00 13.12 H new ATOM 63 N LYS A 4 -8.002 2.622 -4.099 1.00 24.41 N ATOM 64 CA LYS A 4 -7.371 1.395 -4.614 1.00 73.21 C ATOM 65 C LYS A 4 -6.014 1.744 -5.241 1.00 50.35 C ATOM 66 O LYS A 4 -5.831 2.856 -5.753 1.00 4.13 O ATOM 67 CB LYS A 4 -8.298 0.682 -5.632 1.00 71.24 C ATOM 68 CG LYS A 4 -8.729 1.550 -6.830 1.00 42.12 C ATOM 69 CD LYS A 4 -9.670 0.807 -7.802 1.00 22.34 C ATOM 70 CE LYS A 4 -10.942 0.268 -7.119 1.00 71.43 C ATOM 71 NZ LYS A 4 -11.907 -0.277 -8.105 1.00 20.10 N ATOM 0 H LYS A 4 -8.621 3.087 -4.763 1.00 24.41 H new ATOM 0 HA LYS A 4 -7.207 0.702 -3.789 1.00 73.21 H new ATOM 0 HB2 LYS A 4 -7.787 -0.204 -6.008 1.00 71.24 H new ATOM 0 HB3 LYS A 4 -9.191 0.338 -5.110 1.00 71.24 H new ATOM 0 HG2 LYS A 4 -9.229 2.446 -6.462 1.00 42.12 H new ATOM 0 HG3 LYS A 4 -7.842 1.879 -7.371 1.00 42.12 H new ATOM 0 HD2 LYS A 4 -9.956 1.482 -8.608 1.00 22.34 H new ATOM 0 HD3 LYS A 4 -9.130 -0.023 -8.258 1.00 22.34 H new ATOM 0 HE2 LYS A 4 -10.670 -0.511 -6.407 1.00 71.43 H new ATOM 0 HE3 LYS A 4 -11.416 1.068 -6.550 1.00 71.43 H new ATOM 0 HZ1 LYS A 4 -12.749 -0.630 -7.608 1.00 20.10 H new ATOM 0 HZ2 LYS A 4 -12.186 0.473 -8.769 1.00 20.10 H new ATOM 0 HZ3 LYS A 4 -11.463 -1.057 -8.631 1.00 20.10 H new ATOM 85 N GLY A 5 -5.069 0.795 -5.174 1.00 12.40 N ATOM 86 CA GLY A 5 -3.703 1.008 -5.637 1.00 4.05 C ATOM 87 C GLY A 5 -3.095 -0.246 -6.199 1.00 3.14 C ATOM 88 O GLY A 5 -3.721 -1.298 -6.188 1.00 63.32 O ATOM 0 H GLY A 5 -5.236 -0.138 -4.797 1.00 12.40 H new ATOM 0 HA2 GLY A 5 -3.696 1.787 -6.399 1.00 4.05 H new ATOM 0 HA3 GLY A 5 -3.092 1.367 -4.809 1.00 4.05 H new ATOM 92 N VAL A 6 -1.859 -0.124 -6.691 1.00 35.13 N ATOM 93 CA VAL A 6 -1.118 -1.223 -7.330 1.00 35.24 C ATOM 94 C VAL A 6 0.089 -1.619 -6.468 1.00 42.34 C ATOM 95 O VAL A 6 0.839 -0.751 -6.005 1.00 4.11 O ATOM 96 CB VAL A 6 -0.653 -0.802 -8.781 1.00 64.14 C ATOM 97 CG1 VAL A 6 0.293 -1.842 -9.425 1.00 44.32 C ATOM 98 CG2 VAL A 6 -1.885 -0.551 -9.683 1.00 63.43 C ATOM 0 H VAL A 6 -1.335 0.751 -6.658 1.00 35.13 H new ATOM 0 HA VAL A 6 -1.777 -2.086 -7.419 1.00 35.24 H new ATOM 0 HB VAL A 6 -0.083 0.122 -8.684 1.00 64.14 H new ATOM 0 HG11 VAL A 6 0.582 -1.504 -10.420 1.00 44.32 H new ATOM 0 HG12 VAL A 6 1.184 -1.955 -8.807 1.00 44.32 H new ATOM 0 HG13 VAL A 6 -0.219 -2.801 -9.502 1.00 44.32 H new ATOM 0 HG21 VAL A 6 -1.553 -0.262 -10.680 1.00 63.43 H new ATOM 0 HG22 VAL A 6 -2.480 -1.462 -9.749 1.00 63.43 H new ATOM 0 HG23 VAL A 6 -2.492 0.248 -9.256 1.00 63.43 H new ATOM 108 N VAL A 7 0.249 -2.937 -6.254 1.00 62.42 N ATOM 109 CA VAL A 7 1.401 -3.511 -5.547 1.00 43.13 C ATOM 110 C VAL A 7 2.679 -3.298 -6.381 1.00 4.10 C ATOM 111 O VAL A 7 2.759 -3.791 -7.512 1.00 61.54 O ATOM 112 CB VAL A 7 1.218 -5.055 -5.302 1.00 43.00 C ATOM 113 CG1 VAL A 7 2.410 -5.634 -4.510 1.00 74.33 C ATOM 114 CG2 VAL A 7 -0.124 -5.363 -4.602 1.00 22.54 C ATOM 0 H VAL A 7 -0.423 -3.636 -6.570 1.00 62.42 H new ATOM 0 HA VAL A 7 1.480 -3.009 -4.583 1.00 43.13 H new ATOM 0 HB VAL A 7 1.195 -5.544 -6.276 1.00 43.00 H new ATOM 0 HG11 VAL A 7 2.259 -6.702 -4.354 1.00 74.33 H new ATOM 0 HG12 VAL A 7 3.331 -5.476 -5.071 1.00 74.33 H new ATOM 0 HG13 VAL A 7 2.483 -5.133 -3.545 1.00 74.33 H new ATOM 0 HG21 VAL A 7 -0.216 -6.438 -4.449 1.00 22.54 H new ATOM 0 HG22 VAL A 7 -0.157 -4.855 -3.638 1.00 22.54 H new ATOM 0 HG23 VAL A 7 -0.948 -5.013 -5.224 1.00 22.54 H new ATOM 124 N LEU A 8 3.652 -2.555 -5.832 1.00 73.11 N ATOM 125 CA LEU A 8 4.961 -2.338 -6.481 1.00 0.40 C ATOM 126 C LEU A 8 5.952 -3.425 -6.037 1.00 74.54 C ATOM 127 O LEU A 8 6.577 -4.088 -6.878 1.00 15.14 O ATOM 128 CB LEU A 8 5.512 -0.926 -6.145 1.00 32.12 C ATOM 129 CG LEU A 8 4.623 0.270 -6.600 1.00 4.43 C ATOM 130 CD1 LEU A 8 5.258 1.615 -6.199 1.00 50.50 C ATOM 131 CD2 LEU A 8 4.331 0.218 -8.120 1.00 0.21 C ATOM 0 H LEU A 8 3.558 -2.088 -4.930 1.00 73.11 H new ATOM 0 HA LEU A 8 4.831 -2.401 -7.561 1.00 0.40 H new ATOM 0 HB2 LEU A 8 5.656 -0.859 -5.067 1.00 32.12 H new ATOM 0 HB3 LEU A 8 6.495 -0.820 -6.605 1.00 32.12 H new ATOM 0 HG LEU A 8 3.667 0.183 -6.083 1.00 4.43 H new ATOM 0 HD11 LEU A 8 4.617 2.433 -6.529 1.00 50.50 H new ATOM 0 HD12 LEU A 8 5.370 1.656 -5.116 1.00 50.50 H new ATOM 0 HD13 LEU A 8 6.237 1.710 -6.669 1.00 50.50 H new ATOM 0 HD21 LEU A 8 3.709 1.068 -8.400 1.00 0.21 H new ATOM 0 HD22 LEU A 8 5.270 0.258 -8.672 1.00 0.21 H new ATOM 0 HD23 LEU A 8 3.809 -0.709 -8.359 1.00 0.21 H new ATOM 143 N SER A 9 6.073 -3.610 -4.706 1.00 30.54 N ATOM 144 CA SER A 9 7.024 -4.574 -4.118 1.00 5.43 C ATOM 145 C SER A 9 6.701 -4.857 -2.641 1.00 53.41 C ATOM 146 O SER A 9 5.955 -4.104 -1.999 1.00 64.45 O ATOM 147 CB SER A 9 8.474 -4.040 -4.250 1.00 1.53 C ATOM 148 OG SER A 9 8.609 -2.776 -3.630 1.00 53.13 O ATOM 0 H SER A 9 5.521 -3.101 -4.016 1.00 30.54 H new ATOM 0 HA SER A 9 6.931 -5.511 -4.667 1.00 5.43 H new ATOM 0 HB2 SER A 9 9.168 -4.747 -3.796 1.00 1.53 H new ATOM 0 HB3 SER A 9 8.742 -3.962 -5.304 1.00 1.53 H new ATOM 0 HG SER A 9 9.532 -2.462 -3.725 1.00 53.13 H new ATOM 154 N TYR A 10 7.268 -5.964 -2.119 1.00 61.24 N ATOM 155 CA TYR A 10 7.229 -6.308 -0.681 1.00 2.22 C ATOM 156 C TYR A 10 8.638 -6.182 -0.102 1.00 52.45 C ATOM 157 O TYR A 10 9.628 -6.252 -0.845 1.00 32.43 O ATOM 158 CB TYR A 10 6.712 -7.758 -0.471 1.00 22.32 C ATOM 159 CG TYR A 10 5.359 -8.019 -1.132 1.00 52.40 C ATOM 160 CD1 TYR A 10 5.290 -8.474 -2.449 1.00 40.55 C ATOM 161 CD2 TYR A 10 4.159 -7.756 -0.466 1.00 43.42 C ATOM 162 CE1 TYR A 10 4.088 -8.651 -3.075 1.00 53.32 C ATOM 163 CE2 TYR A 10 2.950 -7.955 -1.097 1.00 2.22 C ATOM 164 CZ TYR A 10 2.931 -8.392 -2.402 1.00 41.34 C ATOM 165 OH TYR A 10 1.749 -8.528 -3.065 1.00 44.14 O ATOM 0 H TYR A 10 7.769 -6.649 -2.686 1.00 61.24 H new ATOM 0 HA TYR A 10 6.548 -5.624 -0.174 1.00 2.22 H new ATOM 0 HB2 TYR A 10 7.445 -8.459 -0.870 1.00 22.32 H new ATOM 0 HB3 TYR A 10 6.631 -7.956 0.598 1.00 22.32 H new ATOM 0 HD1 TYR A 10 6.203 -8.690 -2.984 1.00 40.55 H new ATOM 0 HD2 TYR A 10 4.179 -7.394 0.551 1.00 43.42 H new ATOM 0 HE1 TYR A 10 4.055 -8.995 -4.098 1.00 53.32 H new ATOM 0 HE2 TYR A 10 2.025 -7.770 -0.572 1.00 2.22 H new ATOM 0 HH TYR A 10 1.106 -8.999 -2.494 1.00 44.14 H new ATOM 175 N ARG A 11 8.720 -5.994 1.212 1.00 1.33 N ATOM 176 CA ARG A 11 9.980 -5.994 1.953 1.00 4.34 C ATOM 177 C ARG A 11 9.791 -6.781 3.252 1.00 14.23 C ATOM 178 O ARG A 11 9.117 -6.313 4.188 1.00 63.22 O ATOM 179 CB ARG A 11 10.448 -4.549 2.246 1.00 11.01 C ATOM 180 CG ARG A 11 11.756 -4.465 3.063 1.00 14.35 C ATOM 181 CD ARG A 11 12.174 -3.023 3.360 1.00 72.31 C ATOM 182 NE ARG A 11 12.474 -2.261 2.138 1.00 41.11 N ATOM 183 CZ ARG A 11 13.066 -1.057 2.094 1.00 22.35 C ATOM 184 NH1 ARG A 11 13.442 -0.422 3.210 1.00 55.42 N ATOM 185 NH2 ARG A 11 13.297 -0.498 0.913 1.00 13.40 N ATOM 0 H ARG A 11 7.903 -5.835 1.801 1.00 1.33 H new ATOM 0 HA ARG A 11 10.754 -6.470 1.351 1.00 4.34 H new ATOM 0 HB2 ARG A 11 10.588 -4.025 1.301 1.00 11.01 H new ATOM 0 HB3 ARG A 11 9.660 -4.026 2.787 1.00 11.01 H new ATOM 0 HG2 ARG A 11 11.628 -5.003 4.002 1.00 14.35 H new ATOM 0 HG3 ARG A 11 12.555 -4.965 2.515 1.00 14.35 H new ATOM 0 HD2 ARG A 11 11.377 -2.523 3.910 1.00 72.31 H new ATOM 0 HD3 ARG A 11 13.052 -3.028 4.006 1.00 72.31 H new ATOM 0 HE ARG A 11 12.210 -2.684 1.248 1.00 41.11 H new ATOM 0 HH11 ARG A 11 13.281 -0.852 4.121 1.00 55.42 H new ATOM 0 HH12 ARG A 11 13.890 0.492 3.150 1.00 55.42 H new ATOM 0 HH21 ARG A 11 13.026 -0.983 0.058 1.00 13.40 H new ATOM 0 HH22 ARG A 11 13.746 0.416 0.861 1.00 13.40 H new ATOM 199 N ARG A 12 10.371 -7.984 3.284 1.00 33.01 N ATOM 200 CA ARG A 12 10.486 -8.797 4.493 1.00 13.54 C ATOM 201 C ARG A 12 11.667 -8.264 5.309 1.00 61.32 C ATOM 202 O ARG A 12 12.795 -8.195 4.807 1.00 64.53 O ATOM 203 CB ARG A 12 10.686 -10.290 4.118 1.00 64.00 C ATOM 204 CG ARG A 12 9.479 -10.925 3.392 1.00 70.51 C ATOM 205 CD ARG A 12 8.232 -10.986 4.277 1.00 41.41 C ATOM 206 NE ARG A 12 8.449 -11.815 5.473 1.00 33.21 N ATOM 207 CZ ARG A 12 7.678 -11.812 6.569 1.00 20.14 C ATOM 208 NH1 ARG A 12 6.610 -11.023 6.656 1.00 32.42 N ATOM 209 NH2 ARG A 12 7.991 -12.599 7.586 1.00 3.42 N ATOM 0 H ARG A 12 10.778 -8.424 2.459 1.00 33.01 H new ATOM 0 HA ARG A 12 9.575 -8.733 5.088 1.00 13.54 H new ATOM 0 HB2 ARG A 12 11.567 -10.379 3.482 1.00 64.00 H new ATOM 0 HB3 ARG A 12 10.890 -10.857 5.026 1.00 64.00 H new ATOM 0 HG2 ARG A 12 9.256 -10.350 2.493 1.00 70.51 H new ATOM 0 HG3 ARG A 12 9.742 -11.932 3.069 1.00 70.51 H new ATOM 0 HD2 ARG A 12 7.952 -9.977 4.580 1.00 41.41 H new ATOM 0 HD3 ARG A 12 7.398 -11.389 3.702 1.00 41.41 H new ATOM 0 HE ARG A 12 9.252 -12.444 5.467 1.00 33.21 H new ATOM 0 HH11 ARG A 12 6.367 -10.407 5.880 1.00 32.42 H new ATOM 0 HH12 ARG A 12 6.035 -11.034 7.498 1.00 32.42 H new ATOM 0 HH21 ARG A 12 8.813 -13.201 7.531 1.00 3.42 H new ATOM 0 HH22 ARG A 12 7.410 -12.604 8.425 1.00 3.42 H new ATOM 223 N SER A 13 11.394 -7.863 6.553 1.00 53.21 N ATOM 224 CA SER A 13 12.383 -7.218 7.418 1.00 5.32 C ATOM 225 C SER A 13 12.257 -7.798 8.838 1.00 24.53 C ATOM 226 O SER A 13 11.137 -8.004 9.325 1.00 10.05 O ATOM 227 CB SER A 13 12.165 -5.683 7.374 1.00 44.00 C ATOM 228 OG SER A 13 13.220 -4.969 7.998 1.00 44.15 O ATOM 0 H SER A 13 10.479 -7.977 6.989 1.00 53.21 H new ATOM 0 HA SER A 13 13.399 -7.413 7.075 1.00 5.32 H new ATOM 0 HB2 SER A 13 12.076 -5.361 6.336 1.00 44.00 H new ATOM 0 HB3 SER A 13 11.224 -5.438 7.866 1.00 44.00 H new ATOM 0 HG SER A 13 13.220 -4.042 7.681 1.00 44.15 H new ATOM 234 N LYS A 14 13.420 -8.069 9.467 1.00 11.43 N ATOM 235 CA LYS A 14 13.523 -8.763 10.776 1.00 53.23 C ATOM 236 C LYS A 14 12.794 -7.979 11.887 1.00 12.34 C ATOM 237 O LYS A 14 12.785 -6.757 11.861 1.00 40.14 O ATOM 238 CB LYS A 14 15.020 -8.953 11.148 1.00 31.33 C ATOM 239 CG LYS A 14 15.861 -9.701 10.085 1.00 30.21 C ATOM 240 CD LYS A 14 15.348 -11.133 9.802 1.00 4.35 C ATOM 241 CE LYS A 14 16.189 -11.885 8.754 1.00 43.30 C ATOM 242 NZ LYS A 14 15.574 -13.194 8.395 1.00 64.33 N ATOM 0 H LYS A 14 14.327 -7.810 9.079 1.00 11.43 H new ATOM 0 HA LYS A 14 13.042 -9.737 10.687 1.00 53.23 H new ATOM 0 HB2 LYS A 14 15.465 -7.973 11.320 1.00 31.33 H new ATOM 0 HB3 LYS A 14 15.080 -9.499 12.089 1.00 31.33 H new ATOM 0 HG2 LYS A 14 15.854 -9.129 9.157 1.00 30.21 H new ATOM 0 HG3 LYS A 14 16.897 -9.752 10.420 1.00 30.21 H new ATOM 0 HD2 LYS A 14 15.346 -11.701 10.732 1.00 4.35 H new ATOM 0 HD3 LYS A 14 14.315 -11.080 9.459 1.00 4.35 H new ATOM 0 HE2 LYS A 14 16.289 -11.272 7.859 1.00 43.30 H new ATOM 0 HE3 LYS A 14 17.194 -12.049 9.142 1.00 43.30 H new ATOM 0 HZ1 LYS A 14 16.166 -13.673 7.687 1.00 64.33 H new ATOM 0 HZ2 LYS A 14 15.501 -13.788 9.245 1.00 64.33 H new ATOM 0 HZ3 LYS A 14 14.625 -13.035 8.001 1.00 64.33 H new ATOM 256 N GLU A 15 12.214 -8.696 12.865 1.00 43.42 N ATOM 257 CA GLU A 15 11.360 -8.090 13.916 1.00 30.04 C ATOM 258 C GLU A 15 12.154 -7.137 14.846 1.00 53.42 C ATOM 259 O GLU A 15 13.076 -7.578 15.547 1.00 61.01 O ATOM 260 CB GLU A 15 10.669 -9.202 14.756 1.00 52.51 C ATOM 261 CG GLU A 15 9.749 -8.683 15.886 1.00 12.13 C ATOM 262 CD GLU A 15 9.123 -9.807 16.720 1.00 71.50 C ATOM 263 OE1 GLU A 15 9.815 -10.353 17.605 1.00 2.23 O ATOM 264 OE2 GLU A 15 7.941 -10.154 16.494 1.00 34.05 O ATOM 0 H GLU A 15 12.319 -9.707 12.954 1.00 43.42 H new ATOM 0 HA GLU A 15 10.603 -7.492 13.409 1.00 30.04 H new ATOM 0 HB2 GLU A 15 10.081 -9.830 14.087 1.00 52.51 H new ATOM 0 HB3 GLU A 15 11.438 -9.837 15.196 1.00 52.51 H new ATOM 0 HG2 GLU A 15 10.324 -8.030 16.542 1.00 12.13 H new ATOM 0 HG3 GLU A 15 8.955 -8.078 15.450 1.00 12.13 H new ATOM 271 N ASN A 16 11.787 -5.842 14.816 1.00 21.41 N ATOM 272 CA ASN A 16 12.337 -4.801 15.707 1.00 55.54 C ATOM 273 C ASN A 16 11.345 -3.606 15.762 1.00 71.32 C ATOM 274 O ASN A 16 10.515 -3.524 16.678 1.00 62.43 O ATOM 275 CB ASN A 16 13.748 -4.346 15.228 1.00 44.41 C ATOM 276 CG ASN A 16 14.351 -3.218 16.072 1.00 21.12 C ATOM 277 OD1 ASN A 16 14.134 -3.137 17.282 1.00 11.32 O ATOM 278 ND2 ASN A 16 15.109 -2.335 15.442 1.00 21.01 N ATOM 0 H ASN A 16 11.090 -5.484 14.163 1.00 21.41 H new ATOM 0 HA ASN A 16 12.458 -5.209 16.711 1.00 55.54 H new ATOM 0 HB2 ASN A 16 14.422 -5.202 15.247 1.00 44.41 H new ATOM 0 HB3 ASN A 16 13.681 -4.016 14.191 1.00 44.41 H new ATOM 0 HD21 ASN A 16 15.530 -1.563 15.959 1.00 21.01 H new ATOM 0 HD22 ASN A 16 15.272 -2.426 14.439 1.00 21.01 H new ATOM 285 N GLN A 17 11.412 -2.722 14.744 1.00 14.14 N ATOM 286 CA GLN A 17 10.577 -1.510 14.637 1.00 53.03 C ATOM 287 C GLN A 17 10.722 -0.953 13.192 1.00 35.10 C ATOM 288 O GLN A 17 11.827 -0.998 12.632 1.00 40.35 O ATOM 289 CB GLN A 17 11.005 -0.457 15.724 1.00 2.21 C ATOM 290 CG GLN A 17 9.844 0.288 16.414 1.00 41.53 C ATOM 291 CD GLN A 17 9.045 1.196 15.479 1.00 53.31 C ATOM 292 OE1 GLN A 17 8.081 0.770 14.848 1.00 12.23 O ATOM 293 NE2 GLN A 17 9.432 2.454 15.389 1.00 5.30 N ATOM 0 H GLN A 17 12.058 -2.833 13.962 1.00 14.14 H new ATOM 0 HA GLN A 17 9.528 -1.742 14.823 1.00 53.03 H new ATOM 0 HB2 GLN A 17 11.593 -0.966 16.488 1.00 2.21 H new ATOM 0 HB3 GLN A 17 11.659 0.278 15.256 1.00 2.21 H new ATOM 0 HG2 GLN A 17 9.169 -0.444 16.858 1.00 41.53 H new ATOM 0 HG3 GLN A 17 10.245 0.888 17.231 1.00 41.53 H new ATOM 0 HE21 GLN A 17 10.236 2.780 15.925 1.00 5.30 H new ATOM 0 HE22 GLN A 17 8.927 3.101 14.783 1.00 5.30 H new ATOM 302 N HIS A 18 9.595 -0.461 12.611 1.00 33.11 N ATOM 303 CA HIS A 18 9.510 0.082 11.222 1.00 50.11 C ATOM 304 C HIS A 18 9.697 -1.025 10.142 1.00 14.00 C ATOM 305 O HIS A 18 10.062 -0.730 8.997 1.00 14.45 O ATOM 306 CB HIS A 18 10.516 1.255 10.975 1.00 64.24 C ATOM 307 CG HIS A 18 10.312 2.496 11.805 1.00 4.42 C ATOM 308 ND1 HIS A 18 11.309 3.053 12.583 1.00 40.23 N ATOM 309 CD2 HIS A 18 9.250 3.324 11.922 1.00 42.43 C ATOM 310 CE1 HIS A 18 10.868 4.159 13.138 1.00 24.52 C ATOM 311 NE2 HIS A 18 9.624 4.344 12.752 1.00 0.10 N ATOM 0 H HIS A 18 8.702 -0.429 13.102 1.00 33.11 H new ATOM 0 HA HIS A 18 8.501 0.482 11.125 1.00 50.11 H new ATOM 0 HB2 HIS A 18 11.525 0.884 11.156 1.00 64.24 H new ATOM 0 HB3 HIS A 18 10.464 1.535 9.923 1.00 64.24 H new ATOM 0 HD2 HIS A 18 8.287 3.203 11.449 1.00 42.43 H new ATOM 0 HE1 HIS A 18 11.429 4.805 13.797 1.00 24.52 H new ATOM 0 HE2 HIS A 18 9.031 5.126 13.029 1.00 0.10 H new ATOM 320 N ASN A 19 9.370 -2.290 10.492 1.00 31.14 N ATOM 321 CA ASN A 19 9.616 -3.472 9.616 1.00 61.44 C ATOM 322 C ASN A 19 8.338 -3.953 8.902 1.00 34.34 C ATOM 323 O ASN A 19 7.257 -3.395 9.112 1.00 54.12 O ATOM 324 CB ASN A 19 10.224 -4.627 10.443 1.00 71.31 C ATOM 325 CG ASN A 19 11.454 -4.200 11.234 1.00 33.22 C ATOM 326 OD1 ASN A 19 11.420 -4.127 12.451 1.00 53.40 O ATOM 327 ND2 ASN A 19 12.541 -3.883 10.550 1.00 14.12 N ATOM 0 H ASN A 19 8.931 -2.526 11.382 1.00 31.14 H new ATOM 0 HA ASN A 19 10.319 -3.159 8.844 1.00 61.44 H new ATOM 0 HB2 ASN A 19 9.471 -5.012 11.130 1.00 71.31 H new ATOM 0 HB3 ASN A 19 10.493 -5.445 9.774 1.00 71.31 H new ATOM 0 HD21 ASN A 19 13.378 -3.568 11.040 1.00 14.12 H new ATOM 0 HD22 ASN A 19 12.542 -3.953 9.532 1.00 14.12 H new ATOM 334 N ASN A 20 8.503 -5.011 8.060 1.00 33.42 N ATOM 335 CA ASN A 20 7.425 -5.607 7.230 1.00 42.21 C ATOM 336 C ASN A 20 6.754 -4.527 6.359 1.00 73.23 C ATOM 337 O ASN A 20 5.572 -4.206 6.521 1.00 5.11 O ATOM 338 CB ASN A 20 6.387 -6.389 8.096 1.00 21.12 C ATOM 339 CG ASN A 20 6.990 -7.614 8.791 1.00 5.13 C ATOM 340 OD1 ASN A 20 6.985 -8.718 8.249 1.00 32.31 O ATOM 341 ND2 ASN A 20 7.527 -7.426 9.986 1.00 0.12 N ATOM 0 H ASN A 20 9.402 -5.478 7.939 1.00 33.42 H new ATOM 0 HA ASN A 20 7.881 -6.339 6.563 1.00 42.21 H new ATOM 0 HB2 ASN A 20 5.971 -5.719 8.849 1.00 21.12 H new ATOM 0 HB3 ASN A 20 5.560 -6.708 7.462 1.00 21.12 H new ATOM 0 HD21 ASN A 20 7.952 -8.209 10.483 1.00 0.12 H new ATOM 0 HD22 ASN A 20 7.516 -6.498 10.410 1.00 0.12 H new ATOM 348 N VAL A 21 7.557 -3.954 5.448 1.00 35.54 N ATOM 349 CA VAL A 21 7.159 -2.797 4.625 1.00 51.44 C ATOM 350 C VAL A 21 6.661 -3.304 3.263 1.00 1.54 C ATOM 351 O VAL A 21 7.222 -4.244 2.720 1.00 5.01 O ATOM 352 CB VAL A 21 8.374 -1.808 4.429 1.00 60.02 C ATOM 353 CG1 VAL A 21 7.984 -0.571 3.587 1.00 72.50 C ATOM 354 CG2 VAL A 21 8.958 -1.380 5.797 1.00 41.14 C ATOM 0 H VAL A 21 8.505 -4.281 5.260 1.00 35.54 H new ATOM 0 HA VAL A 21 6.361 -2.252 5.130 1.00 51.44 H new ATOM 0 HB VAL A 21 9.144 -2.346 3.875 1.00 60.02 H new ATOM 0 HG11 VAL A 21 8.850 0.082 3.477 1.00 72.50 H new ATOM 0 HG12 VAL A 21 7.645 -0.893 2.602 1.00 72.50 H new ATOM 0 HG13 VAL A 21 7.181 -0.029 4.087 1.00 72.50 H new ATOM 0 HG21 VAL A 21 9.794 -0.699 5.639 1.00 41.14 H new ATOM 0 HG22 VAL A 21 8.187 -0.878 6.381 1.00 41.14 H new ATOM 0 HG23 VAL A 21 9.305 -2.261 6.336 1.00 41.14 H new ATOM 364 N MET A 22 5.605 -2.694 2.722 1.00 41.13 N ATOM 365 CA MET A 22 5.068 -3.047 1.398 1.00 4.30 C ATOM 366 C MET A 22 4.856 -1.754 0.614 1.00 41.44 C ATOM 367 O MET A 22 4.067 -0.889 1.025 1.00 42.12 O ATOM 368 CB MET A 22 3.753 -3.850 1.561 1.00 41.31 C ATOM 369 CG MET A 22 3.001 -4.187 0.263 1.00 34.33 C ATOM 370 SD MET A 22 1.523 -5.178 0.590 1.00 45.12 S ATOM 371 CE MET A 22 0.671 -5.141 -0.983 1.00 74.35 C ATOM 0 H MET A 22 5.095 -1.942 3.185 1.00 41.13 H new ATOM 0 HA MET A 22 5.764 -3.682 0.849 1.00 4.30 H new ATOM 0 HB2 MET A 22 3.982 -4.783 2.077 1.00 41.31 H new ATOM 0 HB3 MET A 22 3.083 -3.284 2.208 1.00 41.31 H new ATOM 0 HG2 MET A 22 2.717 -3.265 -0.244 1.00 34.33 H new ATOM 0 HG3 MET A 22 3.663 -4.731 -0.411 1.00 34.33 H new ATOM 0 HE1 MET A 22 -0.374 -4.876 -0.824 1.00 74.35 H new ATOM 0 HE2 MET A 22 1.139 -4.401 -1.633 1.00 74.35 H new ATOM 0 HE3 MET A 22 0.729 -6.124 -1.451 1.00 74.35 H new ATOM 381 N ILE A 23 5.599 -1.620 -0.492 1.00 22.01 N ATOM 382 CA ILE A 23 5.581 -0.427 -1.339 1.00 2.13 C ATOM 383 C ILE A 23 4.404 -0.529 -2.324 1.00 11.30 C ATOM 384 O ILE A 23 4.313 -1.485 -3.100 1.00 5.22 O ATOM 385 CB ILE A 23 6.942 -0.262 -2.113 1.00 44.10 C ATOM 386 CG1 ILE A 23 8.164 -0.392 -1.139 1.00 34.51 C ATOM 387 CG2 ILE A 23 6.994 1.085 -2.877 1.00 1.25 C ATOM 388 CD1 ILE A 23 8.209 0.629 -0.012 1.00 52.30 C ATOM 0 H ILE A 23 6.235 -2.345 -0.825 1.00 22.01 H new ATOM 0 HA ILE A 23 5.454 0.455 -0.711 1.00 2.13 H new ATOM 0 HB ILE A 23 7.003 -1.067 -2.845 1.00 44.10 H new ATOM 0 HG12 ILE A 23 8.155 -1.391 -0.702 1.00 34.51 H new ATOM 0 HG13 ILE A 23 9.082 -0.307 -1.721 1.00 34.51 H new ATOM 0 HG21 ILE A 23 7.946 1.169 -3.401 1.00 1.25 H new ATOM 0 HG22 ILE A 23 6.178 1.126 -3.598 1.00 1.25 H new ATOM 0 HG23 ILE A 23 6.895 1.908 -2.170 1.00 1.25 H new ATOM 0 HD11 ILE A 23 9.091 0.453 0.604 1.00 52.30 H new ATOM 0 HD12 ILE A 23 8.255 1.634 -0.433 1.00 52.30 H new ATOM 0 HD13 ILE A 23 7.313 0.533 0.602 1.00 52.30 H new ATOM 400 N ILE A 24 3.500 0.451 -2.245 1.00 73.33 N ATOM 401 CA ILE A 24 2.264 0.518 -3.046 1.00 12.12 C ATOM 402 C ILE A 24 2.226 1.880 -3.761 1.00 55.03 C ATOM 403 O ILE A 24 2.826 2.836 -3.286 1.00 14.42 O ATOM 404 CB ILE A 24 1.006 0.360 -2.102 1.00 14.34 C ATOM 405 CG1 ILE A 24 1.051 -1.016 -1.353 1.00 34.43 C ATOM 406 CG2 ILE A 24 -0.327 0.538 -2.874 1.00 64.12 C ATOM 407 CD1 ILE A 24 0.003 -1.195 -0.273 1.00 74.20 C ATOM 0 H ILE A 24 3.605 1.241 -1.609 1.00 73.33 H new ATOM 0 HA ILE A 24 2.245 -0.287 -3.781 1.00 12.12 H new ATOM 0 HB ILE A 24 1.048 1.157 -1.360 1.00 14.34 H new ATOM 0 HG12 ILE A 24 0.935 -1.815 -2.086 1.00 34.43 H new ATOM 0 HG13 ILE A 24 2.037 -1.136 -0.904 1.00 34.43 H new ATOM 0 HG21 ILE A 24 -1.164 0.421 -2.186 1.00 64.12 H new ATOM 0 HG22 ILE A 24 -0.359 1.532 -3.320 1.00 64.12 H new ATOM 0 HG23 ILE A 24 -0.396 -0.214 -3.660 1.00 64.12 H new ATOM 0 HD11 ILE A 24 0.117 -2.177 0.185 1.00 74.20 H new ATOM 0 HD12 ILE A 24 0.128 -0.423 0.487 1.00 74.20 H new ATOM 0 HD13 ILE A 24 -0.991 -1.113 -0.713 1.00 74.20 H new ATOM 419 N LYS A 25 1.551 1.960 -4.920 1.00 5.21 N ATOM 420 CA LYS A 25 1.276 3.240 -5.592 1.00 22.31 C ATOM 421 C LYS A 25 -0.248 3.336 -5.838 1.00 65.14 C ATOM 422 O LYS A 25 -0.753 2.682 -6.755 1.00 21.22 O ATOM 423 CB LYS A 25 2.089 3.362 -6.928 1.00 33.14 C ATOM 424 CG LYS A 25 2.748 4.746 -7.162 1.00 64.12 C ATOM 425 CD LYS A 25 1.743 5.922 -7.340 1.00 12.03 C ATOM 426 CE LYS A 25 1.005 5.926 -8.700 1.00 73.31 C ATOM 427 NZ LYS A 25 0.003 4.834 -8.833 1.00 50.43 N ATOM 0 H LYS A 25 1.184 1.146 -5.414 1.00 5.21 H new ATOM 0 HA LYS A 25 1.595 4.070 -4.962 1.00 22.31 H new ATOM 0 HB2 LYS A 25 2.867 2.599 -6.935 1.00 33.14 H new ATOM 0 HB3 LYS A 25 1.423 3.146 -7.764 1.00 33.14 H new ATOM 0 HG2 LYS A 25 3.402 4.969 -6.319 1.00 64.12 H new ATOM 0 HG3 LYS A 25 3.379 4.688 -8.049 1.00 64.12 H new ATOM 0 HD2 LYS A 25 1.005 5.879 -6.539 1.00 12.03 H new ATOM 0 HD3 LYS A 25 2.280 6.864 -7.228 1.00 12.03 H new ATOM 0 HE2 LYS A 25 0.505 6.886 -8.830 1.00 73.31 H new ATOM 0 HE3 LYS A 25 1.737 5.837 -9.502 1.00 73.31 H new ATOM 0 HZ1 LYS A 25 -0.706 5.098 -9.547 1.00 50.43 H new ATOM 0 HZ2 LYS A 25 0.481 3.958 -9.127 1.00 50.43 H new ATOM 0 HZ3 LYS A 25 -0.467 4.681 -7.918 1.00 50.43 H new ATOM 441 N PRO A 26 -1.006 4.136 -5.009 1.00 1.00 N ATOM 442 CA PRO A 26 -2.469 4.326 -5.192 1.00 70.42 C ATOM 443 C PRO A 26 -2.805 4.961 -6.559 1.00 11.31 C ATOM 444 O PRO A 26 -2.057 5.795 -7.054 1.00 71.32 O ATOM 445 CB PRO A 26 -2.882 5.238 -4.001 1.00 2.20 C ATOM 446 CG PRO A 26 -1.749 5.145 -3.013 1.00 61.21 C ATOM 447 CD PRO A 26 -0.505 4.912 -3.838 1.00 70.12 C ATOM 0 HA PRO A 26 -3.013 3.382 -5.196 1.00 70.42 H new ATOM 0 HB2 PRO A 26 -3.034 6.266 -4.328 1.00 2.20 H new ATOM 0 HB3 PRO A 26 -3.819 4.903 -3.556 1.00 2.20 H new ATOM 0 HG2 PRO A 26 -1.664 6.060 -2.427 1.00 61.21 H new ATOM 0 HG3 PRO A 26 -1.910 4.329 -2.308 1.00 61.21 H new ATOM 0 HD2 PRO A 26 -0.045 5.851 -4.146 1.00 70.12 H new ATOM 0 HD3 PRO A 26 0.249 4.356 -3.280 1.00 70.12 H new ATOM 455 N LEU A 27 -3.913 4.530 -7.174 1.00 74.03 N ATOM 456 CA LEU A 27 -4.334 4.995 -8.517 1.00 41.01 C ATOM 457 C LEU A 27 -4.756 6.475 -8.496 1.00 0.24 C ATOM 458 O LEU A 27 -4.393 7.250 -9.392 1.00 11.25 O ATOM 459 CB LEU A 27 -5.481 4.102 -9.062 1.00 23.05 C ATOM 460 CG LEU A 27 -5.106 2.607 -9.313 1.00 63.11 C ATOM 461 CD1 LEU A 27 -6.315 1.810 -9.841 1.00 43.30 C ATOM 462 CD2 LEU A 27 -3.900 2.490 -10.276 1.00 22.31 C ATOM 0 H LEU A 27 -4.549 3.848 -6.761 1.00 74.03 H new ATOM 0 HA LEU A 27 -3.477 4.910 -9.185 1.00 41.01 H new ATOM 0 HB2 LEU A 27 -6.312 4.137 -8.357 1.00 23.05 H new ATOM 0 HB3 LEU A 27 -5.839 4.531 -9.998 1.00 23.05 H new ATOM 0 HG LEU A 27 -4.814 2.173 -8.357 1.00 63.11 H new ATOM 0 HD11 LEU A 27 -6.023 0.773 -10.006 1.00 43.30 H new ATOM 0 HD12 LEU A 27 -7.123 1.848 -9.110 1.00 43.30 H new ATOM 0 HD13 LEU A 27 -6.655 2.245 -10.781 1.00 43.30 H new ATOM 0 HD21 LEU A 27 -3.660 1.438 -10.433 1.00 22.31 H new ATOM 0 HD22 LEU A 27 -4.151 2.952 -11.231 1.00 22.31 H new ATOM 0 HD23 LEU A 27 -3.038 2.998 -9.843 1.00 22.31 H new ATOM 474 N ASP A 28 -5.519 6.846 -7.457 1.00 2.12 N ATOM 475 CA ASP A 28 -5.990 8.232 -7.234 1.00 21.35 C ATOM 476 C ASP A 28 -4.817 9.185 -6.893 1.00 20.25 C ATOM 477 O ASP A 28 -4.884 10.393 -7.149 1.00 22.42 O ATOM 478 CB ASP A 28 -7.055 8.240 -6.099 1.00 62.34 C ATOM 479 CG ASP A 28 -7.646 9.638 -5.811 1.00 60.14 C ATOM 480 OD1 ASP A 28 -8.512 10.101 -6.595 1.00 32.22 O ATOM 481 OD2 ASP A 28 -7.251 10.275 -4.808 1.00 1.24 O ATOM 0 H ASP A 28 -5.832 6.192 -6.739 1.00 2.12 H new ATOM 0 HA ASP A 28 -6.442 8.597 -8.157 1.00 21.35 H new ATOM 0 HB2 ASP A 28 -7.865 7.562 -6.368 1.00 62.34 H new ATOM 0 HB3 ASP A 28 -6.603 7.851 -5.186 1.00 62.34 H new ATOM 486 N VAL A 29 -3.746 8.614 -6.333 1.00 14.14 N ATOM 487 CA VAL A 29 -2.573 9.354 -5.846 1.00 0.23 C ATOM 488 C VAL A 29 -1.381 9.190 -6.805 1.00 52.42 C ATOM 489 O VAL A 29 -0.857 8.092 -6.979 1.00 50.31 O ATOM 490 CB VAL A 29 -2.187 8.836 -4.425 1.00 11.41 C ATOM 491 CG1 VAL A 29 -0.825 9.379 -3.956 1.00 32.42 C ATOM 492 CG2 VAL A 29 -3.305 9.146 -3.407 1.00 34.14 C ATOM 0 H VAL A 29 -3.667 7.606 -6.202 1.00 14.14 H new ATOM 0 HA VAL A 29 -2.825 10.413 -5.796 1.00 0.23 H new ATOM 0 HB VAL A 29 -2.081 7.753 -4.491 1.00 11.41 H new ATOM 0 HG11 VAL A 29 -0.601 8.990 -2.963 1.00 32.42 H new ATOM 0 HG12 VAL A 29 -0.048 9.064 -4.653 1.00 32.42 H new ATOM 0 HG13 VAL A 29 -0.860 10.468 -3.920 1.00 32.42 H new ATOM 0 HG21 VAL A 29 -3.015 8.776 -2.424 1.00 34.14 H new ATOM 0 HG22 VAL A 29 -3.463 10.223 -3.357 1.00 34.14 H new ATOM 0 HG23 VAL A 29 -4.228 8.658 -3.720 1.00 34.14 H new ATOM 502 N ASN A 30 -0.945 10.299 -7.406 1.00 10.43 N ATOM 503 CA ASN A 30 0.205 10.322 -8.340 1.00 74.33 C ATOM 504 C ASN A 30 1.220 11.415 -7.930 1.00 45.15 C ATOM 505 O ASN A 30 2.133 11.738 -8.697 1.00 54.34 O ATOM 506 CB ASN A 30 -0.305 10.540 -9.798 1.00 4.33 C ATOM 507 CG ASN A 30 -1.186 9.396 -10.314 1.00 14.34 C ATOM 508 OD1 ASN A 30 -0.714 8.470 -10.977 1.00 34.21 O ATOM 509 ND2 ASN A 30 -2.470 9.440 -9.987 1.00 71.32 N ATOM 0 H ASN A 30 -1.374 11.214 -7.265 1.00 10.43 H new ATOM 0 HA ASN A 30 0.721 9.363 -8.295 1.00 74.33 H new ATOM 0 HB2 ASN A 30 -0.870 11.471 -9.842 1.00 4.33 H new ATOM 0 HB3 ASN A 30 0.552 10.656 -10.461 1.00 4.33 H new ATOM 0 HD21 ASN A 30 -3.098 8.694 -10.285 1.00 71.32 H new ATOM 0 HD22 ASN A 30 -2.830 10.220 -9.437 1.00 71.32 H new ATOM 516 N SER A 31 1.075 11.951 -6.698 1.00 5.50 N ATOM 517 CA SER A 31 1.951 13.011 -6.161 1.00 30.43 C ATOM 518 C SER A 31 2.149 12.831 -4.642 1.00 32.13 C ATOM 519 O SER A 31 1.392 12.097 -3.986 1.00 23.32 O ATOM 520 CB SER A 31 1.365 14.400 -6.514 1.00 51.21 C ATOM 521 OG SER A 31 2.254 15.455 -6.162 1.00 64.33 O ATOM 0 H SER A 31 0.345 11.659 -6.048 1.00 5.50 H new ATOM 0 HA SER A 31 2.937 12.938 -6.620 1.00 30.43 H new ATOM 0 HB2 SER A 31 1.154 14.444 -7.582 1.00 51.21 H new ATOM 0 HB3 SER A 31 0.416 14.536 -5.995 1.00 51.21 H new ATOM 0 HG SER A 31 1.851 16.316 -6.401 1.00 64.33 H new ATOM 527 N ARG A 32 3.178 13.532 -4.106 1.00 71.42 N ATOM 528 CA ARG A 32 3.683 13.353 -2.726 1.00 14.05 C ATOM 529 C ARG A 32 2.600 13.615 -1.677 1.00 13.51 C ATOM 530 O ARG A 32 2.366 12.789 -0.802 1.00 13.11 O ATOM 531 CB ARG A 32 4.870 14.318 -2.455 1.00 54.14 C ATOM 532 CG ARG A 32 5.608 14.088 -1.111 1.00 63.31 C ATOM 533 CD ARG A 32 6.801 15.043 -0.918 1.00 34.52 C ATOM 534 NE ARG A 32 7.594 14.721 0.285 1.00 52.31 N ATOM 535 CZ ARG A 32 8.594 15.475 0.780 1.00 11.44 C ATOM 536 NH1 ARG A 32 8.940 16.630 0.211 1.00 45.41 N ATOM 537 NH2 ARG A 32 9.259 15.058 1.844 1.00 53.43 N ATOM 0 H ARG A 32 3.686 14.246 -4.628 1.00 71.42 H new ATOM 0 HA ARG A 32 4.007 12.315 -2.644 1.00 14.05 H new ATOM 0 HB2 ARG A 32 5.589 14.222 -3.268 1.00 54.14 H new ATOM 0 HB3 ARG A 32 4.498 15.342 -2.477 1.00 54.14 H new ATOM 0 HG2 ARG A 32 4.905 14.220 -0.288 1.00 63.31 H new ATOM 0 HG3 ARG A 32 5.961 13.058 -1.067 1.00 63.31 H new ATOM 0 HD2 ARG A 32 7.445 14.997 -1.796 1.00 34.52 H new ATOM 0 HD3 ARG A 32 6.434 16.067 -0.844 1.00 34.52 H new ATOM 0 HE ARG A 32 7.366 13.859 0.781 1.00 52.31 H new ATOM 0 HH11 ARG A 32 8.444 16.959 -0.617 1.00 45.41 H new ATOM 0 HH12 ARG A 32 9.701 17.184 0.604 1.00 45.41 H new ATOM 0 HH21 ARG A 32 9.013 14.171 2.284 1.00 53.43 H new ATOM 0 HH22 ARG A 32 10.018 15.623 2.225 1.00 53.43 H new ATOM 551 N GLU A 33 1.940 14.774 -1.809 1.00 43.41 N ATOM 552 CA GLU A 33 1.031 15.318 -0.776 1.00 3.22 C ATOM 553 C GLU A 33 -0.297 14.555 -0.763 1.00 62.31 C ATOM 554 O GLU A 33 -0.939 14.420 0.286 1.00 44.32 O ATOM 555 CB GLU A 33 0.814 16.830 -1.026 1.00 61.44 C ATOM 556 CG GLU A 33 2.112 17.660 -0.960 1.00 12.34 C ATOM 557 CD GLU A 33 1.954 19.048 -1.587 1.00 71.31 C ATOM 558 OE1 GLU A 33 1.300 19.923 -0.976 1.00 34.12 O ATOM 559 OE2 GLU A 33 2.463 19.262 -2.713 1.00 15.54 O ATOM 0 H GLU A 33 2.018 15.367 -2.636 1.00 43.41 H new ATOM 0 HA GLU A 33 1.485 15.190 0.207 1.00 3.22 H new ATOM 0 HB2 GLU A 33 0.356 16.965 -2.006 1.00 61.44 H new ATOM 0 HB3 GLU A 33 0.109 17.214 -0.288 1.00 61.44 H new ATOM 0 HG2 GLU A 33 2.418 17.768 0.081 1.00 12.34 H new ATOM 0 HG3 GLU A 33 2.910 17.122 -1.472 1.00 12.34 H new ATOM 566 N GLU A 34 -0.675 14.025 -1.945 1.00 33.22 N ATOM 567 CA GLU A 34 -1.843 13.136 -2.101 1.00 45.02 C ATOM 568 C GLU A 34 -1.609 11.820 -1.329 1.00 51.34 C ATOM 569 O GLU A 34 -2.550 11.199 -0.840 1.00 33.13 O ATOM 570 CB GLU A 34 -2.111 12.842 -3.603 1.00 1.13 C ATOM 571 CG GLU A 34 -2.249 14.092 -4.490 1.00 13.14 C ATOM 572 CD GLU A 34 -2.560 13.753 -5.956 1.00 12.42 C ATOM 573 OE1 GLU A 34 -1.723 13.106 -6.614 1.00 41.02 O ATOM 574 OE2 GLU A 34 -3.650 14.116 -6.455 1.00 73.42 O ATOM 0 H GLU A 34 -0.178 14.202 -2.818 1.00 33.22 H new ATOM 0 HA GLU A 34 -2.720 13.636 -1.690 1.00 45.02 H new ATOM 0 HB2 GLU A 34 -1.298 12.227 -3.989 1.00 1.13 H new ATOM 0 HB3 GLU A 34 -3.024 12.252 -3.686 1.00 1.13 H new ATOM 0 HG2 GLU A 34 -3.041 14.727 -4.093 1.00 13.14 H new ATOM 0 HG3 GLU A 34 -1.325 14.668 -4.444 1.00 13.14 H new ATOM 581 N ALA A 35 -0.331 11.422 -1.240 1.00 11.51 N ATOM 582 CA ALA A 35 0.112 10.238 -0.486 1.00 73.11 C ATOM 583 C ALA A 35 0.325 10.574 1.003 1.00 3.11 C ATOM 584 O ALA A 35 0.096 9.733 1.876 1.00 14.33 O ATOM 585 CB ALA A 35 1.407 9.702 -1.122 1.00 10.40 C ATOM 0 H ALA A 35 0.434 11.919 -1.695 1.00 11.51 H new ATOM 0 HA ALA A 35 -0.661 9.471 -0.532 1.00 73.11 H new ATOM 0 HB1 ALA A 35 1.746 8.824 -0.572 1.00 10.40 H new ATOM 0 HB2 ALA A 35 1.217 9.429 -2.160 1.00 10.40 H new ATOM 0 HB3 ALA A 35 2.177 10.473 -1.085 1.00 10.40 H new ATOM 591 N SER A 36 0.756 11.819 1.276 1.00 14.14 N ATOM 592 CA SER A 36 1.124 12.272 2.634 1.00 15.01 C ATOM 593 C SER A 36 -0.118 12.588 3.491 1.00 51.43 C ATOM 594 O SER A 36 -0.021 12.684 4.717 1.00 35.44 O ATOM 595 CB SER A 36 2.070 13.492 2.547 1.00 35.50 C ATOM 596 OG SER A 36 3.276 13.163 1.866 1.00 24.41 O ATOM 0 H SER A 36 0.860 12.541 0.563 1.00 14.14 H new ATOM 0 HA SER A 36 1.649 11.456 3.131 1.00 15.01 H new ATOM 0 HB2 SER A 36 1.568 14.308 2.028 1.00 35.50 H new ATOM 0 HB3 SER A 36 2.302 13.848 3.551 1.00 35.50 H new ATOM 0 HG SER A 36 3.084 13.007 0.918 1.00 24.41 H new ATOM 602 N LYS A 37 -1.287 12.751 2.849 1.00 35.22 N ATOM 603 CA LYS A 37 -2.573 12.872 3.570 1.00 23.41 C ATOM 604 C LYS A 37 -3.116 11.477 3.944 1.00 15.42 C ATOM 605 O LYS A 37 -3.997 11.350 4.799 1.00 75.01 O ATOM 606 CB LYS A 37 -3.603 13.665 2.720 1.00 31.22 C ATOM 607 CG LYS A 37 -3.982 13.009 1.373 1.00 34.51 C ATOM 608 CD LYS A 37 -4.934 13.858 0.484 1.00 14.13 C ATOM 609 CE LYS A 37 -4.306 15.164 -0.061 1.00 44.21 C ATOM 610 NZ LYS A 37 -4.165 16.231 0.969 1.00 10.35 N ATOM 0 H LYS A 37 -1.372 12.802 1.834 1.00 35.22 H new ATOM 0 HA LYS A 37 -2.403 13.426 4.493 1.00 23.41 H new ATOM 0 HB2 LYS A 37 -4.510 13.800 3.309 1.00 31.22 H new ATOM 0 HB3 LYS A 37 -3.200 14.658 2.522 1.00 31.22 H new ATOM 0 HG2 LYS A 37 -3.069 12.806 0.813 1.00 34.51 H new ATOM 0 HG3 LYS A 37 -4.454 12.047 1.573 1.00 34.51 H new ATOM 0 HD2 LYS A 37 -5.264 13.249 -0.358 1.00 14.13 H new ATOM 0 HD3 LYS A 37 -5.823 14.111 1.063 1.00 14.13 H new ATOM 0 HE2 LYS A 37 -3.324 14.939 -0.477 1.00 44.21 H new ATOM 0 HE3 LYS A 37 -4.920 15.539 -0.879 1.00 44.21 H new ATOM 0 HZ1 LYS A 37 -4.470 17.142 0.570 1.00 10.35 H new ATOM 0 HZ2 LYS A 37 -4.756 15.999 1.792 1.00 10.35 H new ATOM 0 HZ3 LYS A 37 -3.170 16.298 1.265 1.00 10.35 H new ATOM 624 N LEU A 38 -2.564 10.428 3.296 1.00 74.44 N ATOM 625 CA LEU A 38 -2.955 9.029 3.548 1.00 22.41 C ATOM 626 C LEU A 38 -2.121 8.390 4.673 1.00 42.33 C ATOM 627 O LEU A 38 -2.265 7.188 4.936 1.00 45.51 O ATOM 628 CB LEU A 38 -2.848 8.176 2.251 1.00 21.42 C ATOM 629 CG LEU A 38 -3.758 8.603 1.055 1.00 54.20 C ATOM 630 CD1 LEU A 38 -3.695 7.563 -0.089 1.00 15.42 C ATOM 631 CD2 LEU A 38 -5.216 8.851 1.510 1.00 31.23 C ATOM 0 H LEU A 38 -1.838 10.529 2.587 1.00 74.44 H new ATOM 0 HA LEU A 38 -3.995 9.046 3.873 1.00 22.41 H new ATOM 0 HB2 LEU A 38 -1.811 8.197 1.914 1.00 21.42 H new ATOM 0 HB3 LEU A 38 -3.081 7.142 2.504 1.00 21.42 H new ATOM 0 HG LEU A 38 -3.374 9.548 0.670 1.00 54.20 H new ATOM 0 HD11 LEU A 38 -4.337 7.885 -0.909 1.00 15.42 H new ATOM 0 HD12 LEU A 38 -2.669 7.476 -0.445 1.00 15.42 H new ATOM 0 HD13 LEU A 38 -4.035 6.595 0.280 1.00 15.42 H new ATOM 0 HD21 LEU A 38 -5.820 9.146 0.652 1.00 31.23 H new ATOM 0 HD22 LEU A 38 -5.623 7.937 1.943 1.00 31.23 H new ATOM 0 HD23 LEU A 38 -5.234 9.645 2.257 1.00 31.23 H new ATOM 643 N ILE A 39 -1.266 9.188 5.343 1.00 41.43 N ATOM 644 CA ILE A 39 -0.514 8.724 6.522 1.00 30.23 C ATOM 645 C ILE A 39 -1.505 8.495 7.684 1.00 2.25 C ATOM 646 O ILE A 39 -2.023 9.457 8.265 1.00 22.23 O ATOM 647 CB ILE A 39 0.614 9.746 6.950 1.00 4.23 C ATOM 648 CG1 ILE A 39 1.576 10.058 5.761 1.00 11.23 C ATOM 649 CG2 ILE A 39 1.412 9.228 8.181 1.00 21.23 C ATOM 650 CD1 ILE A 39 2.252 8.852 5.148 1.00 65.13 C ATOM 0 H ILE A 39 -1.080 10.157 5.086 1.00 41.43 H new ATOM 0 HA ILE A 39 -0.011 7.792 6.266 1.00 30.23 H new ATOM 0 HB ILE A 39 0.119 10.674 7.237 1.00 4.23 H new ATOM 0 HG12 ILE A 39 1.012 10.573 4.983 1.00 11.23 H new ATOM 0 HG13 ILE A 39 2.345 10.749 6.108 1.00 11.23 H new ATOM 0 HG21 ILE A 39 2.179 9.954 8.449 1.00 21.23 H new ATOM 0 HG22 ILE A 39 0.733 9.090 9.023 1.00 21.23 H new ATOM 0 HG23 ILE A 39 1.883 8.276 7.935 1.00 21.23 H new ATOM 0 HD11 ILE A 39 2.899 9.173 4.331 1.00 65.13 H new ATOM 0 HD12 ILE A 39 2.849 8.345 5.906 1.00 65.13 H new ATOM 0 HD13 ILE A 39 1.496 8.167 4.764 1.00 65.13 H new ATOM 662 N GLY A 40 -1.794 7.214 7.961 1.00 43.42 N ATOM 663 CA GLY A 40 -2.738 6.823 9.012 1.00 13.20 C ATOM 664 C GLY A 40 -3.908 6.005 8.490 1.00 53.52 C ATOM 665 O GLY A 40 -4.719 5.530 9.285 1.00 5.41 O ATOM 0 H GLY A 40 -1.380 6.425 7.464 1.00 43.42 H new ATOM 0 HA2 GLY A 40 -2.209 6.246 9.771 1.00 13.20 H new ATOM 0 HA3 GLY A 40 -3.119 7.719 9.501 1.00 13.20 H new ATOM 669 N ARG A 41 -4.003 5.821 7.154 1.00 25.34 N ATOM 670 CA ARG A 41 -5.097 5.039 6.536 1.00 20.41 C ATOM 671 C ARG A 41 -4.760 3.541 6.541 1.00 13.42 C ATOM 672 O ARG A 41 -3.587 3.161 6.431 1.00 3.14 O ATOM 673 CB ARG A 41 -5.375 5.528 5.092 1.00 21.33 C ATOM 674 CG ARG A 41 -5.715 7.031 4.989 1.00 45.51 C ATOM 675 CD ARG A 41 -6.878 7.467 5.899 1.00 64.34 C ATOM 676 NE ARG A 41 -7.087 8.925 5.859 1.00 21.42 N ATOM 677 CZ ARG A 41 -7.495 9.680 6.889 1.00 14.34 C ATOM 678 NH1 ARG A 41 -7.746 9.142 8.075 1.00 35.12 N ATOM 679 NH2 ARG A 41 -7.675 10.975 6.716 1.00 34.41 N ATOM 0 H ARG A 41 -3.336 6.203 6.484 1.00 25.34 H new ATOM 0 HA ARG A 41 -6.000 5.192 7.128 1.00 20.41 H new ATOM 0 HB2 ARG A 41 -4.500 5.321 4.475 1.00 21.33 H new ATOM 0 HB3 ARG A 41 -6.201 4.950 4.677 1.00 21.33 H new ATOM 0 HG2 ARG A 41 -4.829 7.613 5.243 1.00 45.51 H new ATOM 0 HG3 ARG A 41 -5.966 7.267 3.955 1.00 45.51 H new ATOM 0 HD2 ARG A 41 -7.792 6.960 5.589 1.00 64.34 H new ATOM 0 HD3 ARG A 41 -6.674 7.157 6.924 1.00 64.34 H new ATOM 0 HE ARG A 41 -6.906 9.399 4.974 1.00 21.42 H new ATOM 0 HH11 ARG A 41 -7.629 8.138 8.215 1.00 35.12 H new ATOM 0 HH12 ARG A 41 -8.056 9.732 8.847 1.00 35.12 H new ATOM 0 HH21 ARG A 41 -7.504 11.396 5.803 1.00 34.41 H new ATOM 0 HH22 ARG A 41 -7.985 11.555 7.495 1.00 34.41 H new ATOM 693 N LEU A 42 -5.809 2.713 6.620 1.00 21.33 N ATOM 694 CA LEU A 42 -5.701 1.252 6.719 1.00 72.42 C ATOM 695 C LEU A 42 -5.689 0.662 5.305 1.00 44.23 C ATOM 696 O LEU A 42 -6.439 1.100 4.454 1.00 63.54 O ATOM 697 CB LEU A 42 -6.919 0.698 7.513 1.00 13.45 C ATOM 698 CG LEU A 42 -6.989 -0.864 7.693 1.00 13.55 C ATOM 699 CD1 LEU A 42 -5.877 -1.387 8.628 1.00 43.04 C ATOM 700 CD2 LEU A 42 -8.378 -1.302 8.184 1.00 13.21 C ATOM 0 H LEU A 42 -6.773 3.045 6.617 1.00 21.33 H new ATOM 0 HA LEU A 42 -4.783 0.977 7.238 1.00 72.42 H new ATOM 0 HB2 LEU A 42 -6.918 1.156 8.502 1.00 13.45 H new ATOM 0 HB3 LEU A 42 -7.830 1.025 7.012 1.00 13.45 H new ATOM 0 HG LEU A 42 -6.821 -1.310 6.713 1.00 13.55 H new ATOM 0 HD11 LEU A 42 -5.962 -2.469 8.725 1.00 43.04 H new ATOM 0 HD12 LEU A 42 -4.902 -1.135 8.210 1.00 43.04 H new ATOM 0 HD13 LEU A 42 -5.981 -0.926 9.610 1.00 43.04 H new ATOM 0 HD21 LEU A 42 -8.398 -2.386 8.300 1.00 13.21 H new ATOM 0 HD22 LEU A 42 -8.590 -0.831 9.144 1.00 13.21 H new ATOM 0 HD23 LEU A 42 -9.132 -1.001 7.457 1.00 13.21 H new ATOM 712 N VAL A 43 -4.831 -0.329 5.056 1.00 74.45 N ATOM 713 CA VAL A 43 -4.703 -0.974 3.738 1.00 54.41 C ATOM 714 C VAL A 43 -5.027 -2.467 3.883 1.00 24.44 C ATOM 715 O VAL A 43 -4.615 -3.104 4.855 1.00 43.53 O ATOM 716 CB VAL A 43 -3.258 -0.803 3.128 1.00 54.32 C ATOM 717 CG1 VAL A 43 -3.228 -1.267 1.650 1.00 45.34 C ATOM 718 CG2 VAL A 43 -2.755 0.653 3.263 1.00 13.02 C ATOM 0 H VAL A 43 -4.201 -0.711 5.761 1.00 74.45 H new ATOM 0 HA VAL A 43 -5.402 -0.491 3.056 1.00 54.41 H new ATOM 0 HB VAL A 43 -2.579 -1.437 3.698 1.00 54.32 H new ATOM 0 HG11 VAL A 43 -2.222 -1.140 1.249 1.00 45.34 H new ATOM 0 HG12 VAL A 43 -3.512 -2.318 1.593 1.00 45.34 H new ATOM 0 HG13 VAL A 43 -3.929 -0.670 1.067 1.00 45.34 H new ATOM 0 HG21 VAL A 43 -1.757 0.735 2.833 1.00 13.02 H new ATOM 0 HG22 VAL A 43 -3.434 1.323 2.735 1.00 13.02 H new ATOM 0 HG23 VAL A 43 -2.719 0.929 4.317 1.00 13.02 H new ATOM 728 N LEU A 44 -5.778 -3.011 2.921 1.00 72.35 N ATOM 729 CA LEU A 44 -6.163 -4.428 2.879 1.00 60.41 C ATOM 730 C LEU A 44 -5.733 -5.003 1.524 1.00 72.20 C ATOM 731 O LEU A 44 -5.968 -4.375 0.484 1.00 53.03 O ATOM 732 CB LEU A 44 -7.702 -4.578 3.074 1.00 60.02 C ATOM 733 CG LEU A 44 -8.288 -4.041 4.424 1.00 71.51 C ATOM 734 CD1 LEU A 44 -9.826 -4.159 4.445 1.00 61.15 C ATOM 735 CD2 LEU A 44 -7.656 -4.761 5.642 1.00 65.42 C ATOM 0 H LEU A 44 -6.142 -2.472 2.136 1.00 72.35 H new ATOM 0 HA LEU A 44 -5.672 -4.973 3.685 1.00 60.41 H new ATOM 0 HB2 LEU A 44 -8.202 -4.061 2.255 1.00 60.02 H new ATOM 0 HB3 LEU A 44 -7.956 -5.634 2.987 1.00 60.02 H new ATOM 0 HG LEU A 44 -8.031 -2.984 4.498 1.00 71.51 H new ATOM 0 HD11 LEU A 44 -10.207 -3.779 5.393 1.00 61.15 H new ATOM 0 HD12 LEU A 44 -10.247 -3.577 3.625 1.00 61.15 H new ATOM 0 HD13 LEU A 44 -10.112 -5.205 4.331 1.00 61.15 H new ATOM 0 HD21 LEU A 44 -8.085 -4.364 6.562 1.00 65.42 H new ATOM 0 HD22 LEU A 44 -7.859 -5.830 5.578 1.00 65.42 H new ATOM 0 HD23 LEU A 44 -6.579 -4.596 5.643 1.00 65.42 H new ATOM 747 N TRP A 45 -5.090 -6.174 1.544 1.00 2.41 N ATOM 748 CA TRP A 45 -4.669 -6.878 0.326 1.00 35.32 C ATOM 749 C TRP A 45 -4.932 -8.385 0.485 1.00 73.44 C ATOM 750 O TRP A 45 -4.541 -8.989 1.487 1.00 41.24 O ATOM 751 CB TRP A 45 -3.169 -6.596 0.023 1.00 12.32 C ATOM 752 CG TRP A 45 -2.642 -7.342 -1.191 1.00 1.55 C ATOM 753 CD1 TRP A 45 -2.918 -7.092 -2.504 1.00 63.11 C ATOM 754 CD2 TRP A 45 -1.761 -8.468 -1.189 1.00 74.53 C ATOM 755 NE1 TRP A 45 -2.280 -8.004 -3.303 1.00 72.42 N ATOM 756 CE2 TRP A 45 -1.561 -8.855 -2.517 1.00 51.14 C ATOM 757 CE3 TRP A 45 -1.130 -9.178 -0.188 1.00 1.20 C ATOM 758 CZ2 TRP A 45 -0.762 -9.939 -2.864 1.00 3.04 C ATOM 759 CZ3 TRP A 45 -0.326 -10.248 -0.525 1.00 44.33 C ATOM 760 CH2 TRP A 45 -0.145 -10.621 -1.854 1.00 3.01 C ATOM 0 H TRP A 45 -4.846 -6.662 2.405 1.00 2.41 H new ATOM 0 HA TRP A 45 -5.250 -6.512 -0.521 1.00 35.32 H new ATOM 0 HB2 TRP A 45 -3.033 -5.526 -0.132 1.00 12.32 H new ATOM 0 HB3 TRP A 45 -2.573 -6.870 0.894 1.00 12.32 H new ATOM 0 HD1 TRP A 45 -3.548 -6.291 -2.862 1.00 63.11 H new ATOM 0 HE1 TRP A 45 -2.334 -8.040 -4.321 1.00 72.42 H new ATOM 0 HE3 TRP A 45 -1.264 -8.900 0.847 1.00 1.20 H new ATOM 0 HZ2 TRP A 45 -0.634 -10.231 -3.896 1.00 3.04 H new ATOM 0 HZ3 TRP A 45 0.171 -10.805 0.255 1.00 44.33 H new ATOM 0 HH2 TRP A 45 0.492 -11.461 -2.090 1.00 3.01 H new ATOM 771 N LYS A 46 -5.617 -8.967 -0.506 1.00 2.33 N ATOM 772 CA LYS A 46 -5.853 -10.409 -0.593 1.00 73.31 C ATOM 773 C LYS A 46 -4.596 -11.097 -1.128 1.00 50.34 C ATOM 774 O LYS A 46 -4.138 -10.799 -2.233 1.00 25.22 O ATOM 775 CB LYS A 46 -7.057 -10.721 -1.521 1.00 22.44 C ATOM 776 CG LYS A 46 -7.298 -12.232 -1.812 1.00 14.13 C ATOM 777 CD LYS A 46 -7.654 -13.068 -0.560 1.00 44.44 C ATOM 778 CE LYS A 46 -8.982 -12.655 0.088 1.00 65.10 C ATOM 779 NZ LYS A 46 -9.275 -13.483 1.283 1.00 43.24 N ATOM 0 H LYS A 46 -6.027 -8.442 -1.278 1.00 2.33 H new ATOM 0 HA LYS A 46 -6.085 -10.784 0.404 1.00 73.31 H new ATOM 0 HB2 LYS A 46 -7.959 -10.306 -1.071 1.00 22.44 H new ATOM 0 HB3 LYS A 46 -6.907 -10.204 -2.469 1.00 22.44 H new ATOM 0 HG2 LYS A 46 -8.104 -12.327 -2.540 1.00 14.13 H new ATOM 0 HG3 LYS A 46 -6.402 -12.650 -2.272 1.00 14.13 H new ATOM 0 HD2 LYS A 46 -7.705 -14.121 -0.837 1.00 44.44 H new ATOM 0 HD3 LYS A 46 -6.854 -12.970 0.174 1.00 44.44 H new ATOM 0 HE2 LYS A 46 -8.940 -11.604 0.372 1.00 65.10 H new ATOM 0 HE3 LYS A 46 -9.790 -12.757 -0.636 1.00 65.10 H new ATOM 0 HZ1 LYS A 46 -10.094 -13.087 1.787 1.00 43.24 H new ATOM 0 HZ2 LYS A 46 -9.489 -14.457 0.987 1.00 43.24 H new ATOM 0 HZ3 LYS A 46 -8.448 -13.487 1.914 1.00 43.24 H new ATOM 793 N SER A 47 -4.066 -12.014 -0.325 1.00 74.12 N ATOM 794 CA SER A 47 -2.902 -12.828 -0.677 1.00 73.04 C ATOM 795 C SER A 47 -3.366 -14.048 -1.511 1.00 1.24 C ATOM 796 O SER A 47 -4.397 -14.642 -1.173 1.00 0.01 O ATOM 797 CB SER A 47 -2.180 -13.281 0.615 1.00 12.54 C ATOM 798 OG SER A 47 -1.995 -12.195 1.501 1.00 61.34 O ATOM 0 H SER A 47 -4.437 -12.218 0.603 1.00 74.12 H new ATOM 0 HA SER A 47 -2.202 -12.244 -1.275 1.00 73.04 H new ATOM 0 HB2 SER A 47 -2.762 -14.061 1.107 1.00 12.54 H new ATOM 0 HB3 SER A 47 -1.214 -13.717 0.362 1.00 12.54 H new ATOM 0 HG SER A 47 -1.519 -11.473 1.039 1.00 61.34 H new ATOM 804 N PRO A 48 -2.622 -14.439 -2.615 1.00 60.03 N ATOM 805 CA PRO A 48 -2.965 -15.631 -3.456 1.00 61.05 C ATOM 806 C PRO A 48 -2.993 -16.962 -2.664 1.00 43.44 C ATOM 807 O PRO A 48 -3.579 -17.948 -3.125 1.00 13.23 O ATOM 808 CB PRO A 48 -1.859 -15.641 -4.555 1.00 41.02 C ATOM 809 CG PRO A 48 -0.753 -14.775 -4.016 1.00 51.50 C ATOM 810 CD PRO A 48 -1.429 -13.728 -3.160 1.00 25.54 C ATOM 0 HA PRO A 48 -3.975 -15.554 -3.859 1.00 61.05 H new ATOM 0 HB2 PRO A 48 -1.506 -16.654 -4.748 1.00 41.02 H new ATOM 0 HB3 PRO A 48 -2.239 -15.250 -5.499 1.00 41.02 H new ATOM 0 HG2 PRO A 48 -0.047 -15.363 -3.430 1.00 51.50 H new ATOM 0 HG3 PRO A 48 -0.188 -14.313 -4.826 1.00 51.50 H new ATOM 0 HD2 PRO A 48 -0.773 -13.376 -2.364 1.00 25.54 H new ATOM 0 HD3 PRO A 48 -1.715 -12.855 -3.746 1.00 25.54 H new ATOM 818 N SER A 49 -2.368 -16.965 -1.467 1.00 74.33 N ATOM 819 CA SER A 49 -2.379 -18.116 -0.543 1.00 41.31 C ATOM 820 C SER A 49 -3.673 -18.152 0.325 1.00 52.13 C ATOM 821 O SER A 49 -3.745 -18.903 1.306 1.00 61.11 O ATOM 822 CB SER A 49 -1.112 -18.063 0.347 1.00 21.23 C ATOM 823 OG SER A 49 -0.980 -19.229 1.140 1.00 43.23 O ATOM 0 H SER A 49 -1.841 -16.166 -1.115 1.00 74.33 H new ATOM 0 HA SER A 49 -2.373 -19.034 -1.130 1.00 41.31 H new ATOM 0 HB2 SER A 49 -0.230 -17.949 -0.283 1.00 21.23 H new ATOM 0 HB3 SER A 49 -1.158 -17.186 0.993 1.00 21.23 H new ATOM 0 HG SER A 49 -1.868 -19.544 1.409 1.00 43.23 H new ATOM 829 N GLY A 50 -4.693 -17.344 -0.046 1.00 65.43 N ATOM 830 CA GLY A 50 -5.990 -17.331 0.653 1.00 41.01 C ATOM 831 C GLY A 50 -5.911 -16.660 2.017 1.00 40.15 C ATOM 832 O GLY A 50 -6.496 -17.141 2.999 1.00 72.00 O ATOM 0 H GLY A 50 -4.638 -16.692 -0.829 1.00 65.43 H new ATOM 0 HA2 GLY A 50 -6.725 -16.811 0.038 1.00 41.01 H new ATOM 0 HA3 GLY A 50 -6.343 -18.355 0.775 1.00 41.01 H new ATOM 836 N LYS A 51 -5.166 -15.541 2.070 1.00 71.20 N ATOM 837 CA LYS A 51 -4.936 -14.760 3.304 1.00 23.43 C ATOM 838 C LYS A 51 -5.373 -13.305 3.076 1.00 63.33 C ATOM 839 O LYS A 51 -5.666 -12.914 1.948 1.00 63.11 O ATOM 840 CB LYS A 51 -3.431 -14.820 3.703 1.00 45.02 C ATOM 841 CG LYS A 51 -2.884 -16.239 3.985 1.00 62.42 C ATOM 842 CD LYS A 51 -3.601 -16.923 5.170 1.00 41.12 C ATOM 843 CE LYS A 51 -3.092 -18.345 5.448 1.00 21.40 C ATOM 844 NZ LYS A 51 -3.809 -18.962 6.595 1.00 32.54 N ATOM 0 H LYS A 51 -4.702 -15.148 1.251 1.00 71.20 H new ATOM 0 HA LYS A 51 -5.524 -15.185 4.117 1.00 23.43 H new ATOM 0 HB2 LYS A 51 -2.841 -14.372 2.904 1.00 45.02 H new ATOM 0 HB3 LYS A 51 -3.282 -14.207 4.592 1.00 45.02 H new ATOM 0 HG2 LYS A 51 -2.998 -16.853 3.092 1.00 62.42 H new ATOM 0 HG3 LYS A 51 -1.816 -16.178 4.196 1.00 62.42 H new ATOM 0 HD2 LYS A 51 -3.469 -16.316 6.065 1.00 41.12 H new ATOM 0 HD3 LYS A 51 -4.671 -16.961 4.966 1.00 41.12 H new ATOM 0 HE2 LYS A 51 -3.226 -18.961 4.559 1.00 21.40 H new ATOM 0 HE3 LYS A 51 -2.023 -18.316 5.658 1.00 21.40 H new ATOM 0 HZ1 LYS A 51 -3.443 -19.922 6.758 1.00 32.54 H new ATOM 0 HZ2 LYS A 51 -3.661 -18.386 7.448 1.00 32.54 H new ATOM 0 HZ3 LYS A 51 -4.826 -19.011 6.383 1.00 32.54 H new ATOM 858 N ILE A 52 -5.431 -12.516 4.161 1.00 12.01 N ATOM 859 CA ILE A 52 -5.753 -11.074 4.110 1.00 52.40 C ATOM 860 C ILE A 52 -4.716 -10.323 4.945 1.00 53.40 C ATOM 861 O ILE A 52 -4.710 -10.417 6.181 1.00 23.32 O ATOM 862 CB ILE A 52 -7.208 -10.744 4.643 1.00 11.44 C ATOM 863 CG1 ILE A 52 -8.271 -11.538 3.826 1.00 1.43 C ATOM 864 CG2 ILE A 52 -7.502 -9.210 4.602 1.00 44.20 C ATOM 865 CD1 ILE A 52 -9.701 -11.383 4.296 1.00 5.00 C ATOM 0 H ILE A 52 -5.255 -12.859 5.105 1.00 12.01 H new ATOM 0 HA ILE A 52 -5.728 -10.760 3.066 1.00 52.40 H new ATOM 0 HB ILE A 52 -7.264 -11.054 5.686 1.00 11.44 H new ATOM 0 HG12 ILE A 52 -8.213 -11.223 2.784 1.00 1.43 H new ATOM 0 HG13 ILE A 52 -8.010 -12.596 3.854 1.00 1.43 H new ATOM 0 HG21 ILE A 52 -8.509 -9.022 4.975 1.00 44.20 H new ATOM 0 HG22 ILE A 52 -6.780 -8.684 5.227 1.00 44.20 H new ATOM 0 HG23 ILE A 52 -7.423 -8.852 3.576 1.00 44.20 H new ATOM 0 HD11 ILE A 52 -10.359 -11.976 3.661 1.00 5.00 H new ATOM 0 HD12 ILE A 52 -9.785 -11.728 5.327 1.00 5.00 H new ATOM 0 HD13 ILE A 52 -9.991 -10.334 4.240 1.00 5.00 H new ATOM 877 N LEU A 53 -3.826 -9.604 4.259 1.00 43.15 N ATOM 878 CA LEU A 53 -2.823 -8.772 4.906 1.00 11.44 C ATOM 879 C LEU A 53 -3.440 -7.416 5.263 1.00 62.44 C ATOM 880 O LEU A 53 -3.996 -6.728 4.396 1.00 71.33 O ATOM 881 CB LEU A 53 -1.587 -8.586 3.996 1.00 13.34 C ATOM 882 CG LEU A 53 -0.875 -9.881 3.515 1.00 2.31 C ATOM 883 CD1 LEU A 53 0.486 -9.555 2.882 1.00 64.25 C ATOM 884 CD2 LEU A 53 -0.732 -10.926 4.641 1.00 23.12 C ATOM 0 H LEU A 53 -3.784 -9.585 3.240 1.00 43.15 H new ATOM 0 HA LEU A 53 -2.489 -9.266 5.818 1.00 11.44 H new ATOM 0 HB2 LEU A 53 -1.894 -8.019 3.117 1.00 13.34 H new ATOM 0 HB3 LEU A 53 -0.859 -7.976 4.531 1.00 13.34 H new ATOM 0 HG LEU A 53 -1.509 -10.330 2.751 1.00 2.31 H new ATOM 0 HD11 LEU A 53 0.965 -10.477 2.553 1.00 64.25 H new ATOM 0 HD12 LEU A 53 0.341 -8.897 2.026 1.00 64.25 H new ATOM 0 HD13 LEU A 53 1.120 -9.059 3.617 1.00 64.25 H new ATOM 0 HD21 LEU A 53 -0.228 -11.812 4.254 1.00 23.12 H new ATOM 0 HD22 LEU A 53 -0.146 -10.503 5.457 1.00 23.12 H new ATOM 0 HD23 LEU A 53 -1.720 -11.202 5.009 1.00 23.12 H new ATOM 896 N LYS A 54 -3.344 -7.059 6.544 1.00 30.13 N ATOM 897 CA LYS A 54 -3.795 -5.765 7.067 1.00 73.20 C ATOM 898 C LYS A 54 -2.561 -4.896 7.341 1.00 40.51 C ATOM 899 O LYS A 54 -1.618 -5.358 7.993 1.00 62.10 O ATOM 900 CB LYS A 54 -4.596 -5.987 8.367 1.00 54.03 C ATOM 901 CG LYS A 54 -5.759 -6.994 8.226 1.00 55.02 C ATOM 902 CD LYS A 54 -6.424 -7.316 9.580 1.00 11.13 C ATOM 903 CE LYS A 54 -7.021 -6.080 10.270 1.00 24.30 C ATOM 904 NZ LYS A 54 -7.628 -6.425 11.581 1.00 1.04 N ATOM 0 H LYS A 54 -2.946 -7.668 7.259 1.00 30.13 H new ATOM 0 HA LYS A 54 -4.440 -5.265 6.344 1.00 73.20 H new ATOM 0 HB2 LYS A 54 -3.917 -6.339 9.144 1.00 54.03 H new ATOM 0 HB3 LYS A 54 -4.996 -5.030 8.702 1.00 54.03 H new ATOM 0 HG2 LYS A 54 -6.507 -6.589 7.544 1.00 55.02 H new ATOM 0 HG3 LYS A 54 -5.386 -7.916 7.779 1.00 55.02 H new ATOM 0 HD2 LYS A 54 -7.212 -8.053 9.424 1.00 11.13 H new ATOM 0 HD3 LYS A 54 -5.686 -7.772 10.240 1.00 11.13 H new ATOM 0 HE2 LYS A 54 -6.242 -5.332 10.415 1.00 24.30 H new ATOM 0 HE3 LYS A 54 -7.777 -5.632 9.625 1.00 24.30 H new ATOM 0 HZ1 LYS A 54 -8.021 -5.567 12.018 1.00 1.04 H new ATOM 0 HZ2 LYS A 54 -8.388 -7.121 11.439 1.00 1.04 H new ATOM 0 HZ3 LYS A 54 -6.901 -6.829 12.205 1.00 1.04 H new ATOM 918 N GLY A 55 -2.574 -3.654 6.849 1.00 24.43 N ATOM 919 CA GLY A 55 -1.426 -2.751 6.955 1.00 31.45 C ATOM 920 C GLY A 55 -1.843 -1.315 7.135 1.00 25.32 C ATOM 921 O GLY A 55 -3.031 -1.020 7.204 1.00 74.34 O ATOM 0 H GLY A 55 -3.377 -3.248 6.368 1.00 24.43 H new ATOM 0 HA2 GLY A 55 -0.804 -3.055 7.797 1.00 31.45 H new ATOM 0 HA3 GLY A 55 -0.813 -2.839 6.058 1.00 31.45 H new ATOM 925 N LYS A 56 -0.863 -0.408 7.234 1.00 64.51 N ATOM 926 CA LYS A 56 -1.136 1.027 7.397 1.00 22.51 C ATOM 927 C LYS A 56 0.007 1.866 6.825 1.00 12.20 C ATOM 928 O LYS A 56 1.182 1.579 7.087 1.00 50.10 O ATOM 929 CB LYS A 56 -1.399 1.350 8.891 1.00 11.25 C ATOM 930 CG LYS A 56 -1.671 2.850 9.194 1.00 4.14 C ATOM 931 CD LYS A 56 -2.525 3.076 10.463 1.00 12.12 C ATOM 932 CE LYS A 56 -3.954 2.517 10.316 1.00 42.54 C ATOM 933 NZ LYS A 56 -4.822 2.895 11.461 1.00 42.14 N ATOM 0 H LYS A 56 0.129 -0.643 7.204 1.00 64.51 H new ATOM 0 HA LYS A 56 -2.034 1.285 6.835 1.00 22.51 H new ATOM 0 HB2 LYS A 56 -2.253 0.764 9.230 1.00 11.25 H new ATOM 0 HB3 LYS A 56 -0.538 1.026 9.476 1.00 11.25 H new ATOM 0 HG2 LYS A 56 -0.719 3.368 9.309 1.00 4.14 H new ATOM 0 HG3 LYS A 56 -2.177 3.299 8.340 1.00 4.14 H new ATOM 0 HD2 LYS A 56 -2.038 2.602 11.315 1.00 12.12 H new ATOM 0 HD3 LYS A 56 -2.576 4.143 10.679 1.00 12.12 H new ATOM 0 HE2 LYS A 56 -4.394 2.887 9.390 1.00 42.54 H new ATOM 0 HE3 LYS A 56 -3.912 1.431 10.237 1.00 42.54 H new ATOM 0 HZ1 LYS A 56 -5.773 2.499 11.321 1.00 42.14 H new ATOM 0 HZ2 LYS A 56 -4.417 2.520 12.342 1.00 42.14 H new ATOM 0 HZ3 LYS A 56 -4.884 3.931 11.522 1.00 42.14 H new ATOM 947 N ILE A 57 -0.361 2.895 6.038 1.00 11.03 N ATOM 948 CA ILE A 57 0.593 3.830 5.416 1.00 11.04 C ATOM 949 C ILE A 57 1.264 4.684 6.509 1.00 32.25 C ATOM 950 O ILE A 57 0.635 5.590 7.070 1.00 12.05 O ATOM 951 CB ILE A 57 -0.123 4.758 4.363 1.00 54.12 C ATOM 952 CG1 ILE A 57 -0.848 3.900 3.283 1.00 32.11 C ATOM 953 CG2 ILE A 57 0.878 5.749 3.708 1.00 23.04 C ATOM 954 CD1 ILE A 57 -1.680 4.694 2.298 1.00 73.30 C ATOM 0 H ILE A 57 -1.335 3.101 5.815 1.00 11.03 H new ATOM 0 HA ILE A 57 1.351 3.251 4.889 1.00 11.04 H new ATOM 0 HB ILE A 57 -0.871 5.350 4.890 1.00 54.12 H new ATOM 0 HG12 ILE A 57 -0.101 3.330 2.730 1.00 32.11 H new ATOM 0 HG13 ILE A 57 -1.493 3.179 3.784 1.00 32.11 H new ATOM 0 HG21 ILE A 57 0.352 6.374 2.987 1.00 23.04 H new ATOM 0 HG22 ILE A 57 1.323 6.379 4.478 1.00 23.04 H new ATOM 0 HG23 ILE A 57 1.663 5.190 3.199 1.00 23.04 H new ATOM 0 HD11 ILE A 57 -2.146 4.014 1.585 1.00 73.30 H new ATOM 0 HD12 ILE A 57 -2.453 5.243 2.835 1.00 73.30 H new ATOM 0 HD13 ILE A 57 -1.040 5.397 1.764 1.00 73.30 H new ATOM 966 N VAL A 58 2.526 4.351 6.828 1.00 62.41 N ATOM 967 CA VAL A 58 3.294 5.015 7.906 1.00 34.44 C ATOM 968 C VAL A 58 4.072 6.238 7.376 1.00 31.12 C ATOM 969 O VAL A 58 4.192 7.252 8.073 1.00 22.23 O ATOM 970 CB VAL A 58 4.272 4.004 8.629 1.00 12.31 C ATOM 971 CG1 VAL A 58 3.479 2.845 9.287 1.00 73.21 C ATOM 972 CG2 VAL A 58 5.352 3.458 7.659 1.00 62.41 C ATOM 0 H VAL A 58 3.046 3.616 6.349 1.00 62.41 H new ATOM 0 HA VAL A 58 2.571 5.368 8.641 1.00 34.44 H new ATOM 0 HB VAL A 58 4.790 4.554 9.415 1.00 12.31 H new ATOM 0 HG11 VAL A 58 4.173 2.162 9.778 1.00 73.21 H new ATOM 0 HG12 VAL A 58 2.786 3.251 10.024 1.00 73.21 H new ATOM 0 HG13 VAL A 58 2.920 2.306 8.522 1.00 73.21 H new ATOM 0 HG21 VAL A 58 6.004 2.767 8.193 1.00 62.41 H new ATOM 0 HG22 VAL A 58 4.869 2.936 6.833 1.00 62.41 H new ATOM 0 HG23 VAL A 58 5.943 4.287 7.269 1.00 62.41 H new ATOM 982 N ARG A 59 4.570 6.149 6.133 1.00 21.44 N ATOM 983 CA ARG A 59 5.421 7.190 5.536 1.00 62.45 C ATOM 984 C ARG A 59 5.493 6.980 4.021 1.00 54.23 C ATOM 985 O ARG A 59 5.384 5.854 3.555 1.00 64.24 O ATOM 986 CB ARG A 59 6.840 7.169 6.180 1.00 14.41 C ATOM 987 CG ARG A 59 7.808 8.281 5.685 1.00 0.14 C ATOM 988 CD ARG A 59 9.024 8.463 6.609 1.00 52.30 C ATOM 989 NE ARG A 59 8.594 8.872 7.964 1.00 71.12 N ATOM 990 CZ ARG A 59 9.201 8.548 9.116 1.00 41.32 C ATOM 991 NH1 ARG A 59 10.294 7.794 9.129 1.00 31.13 N ATOM 992 NH2 ARG A 59 8.686 8.974 10.262 1.00 14.35 N ATOM 0 H ARG A 59 4.395 5.356 5.515 1.00 21.44 H new ATOM 0 HA ARG A 59 4.988 8.171 5.731 1.00 62.45 H new ATOM 0 HB2 ARG A 59 6.732 7.258 7.261 1.00 14.41 H new ATOM 0 HB3 ARG A 59 7.296 6.199 5.984 1.00 14.41 H new ATOM 0 HG2 ARG A 59 8.153 8.036 4.681 1.00 0.14 H new ATOM 0 HG3 ARG A 59 7.266 9.224 5.614 1.00 0.14 H new ATOM 0 HD2 ARG A 59 9.586 7.531 6.666 1.00 52.30 H new ATOM 0 HD3 ARG A 59 9.694 9.215 6.192 1.00 52.30 H new ATOM 0 HE ARG A 59 7.759 9.454 8.029 1.00 71.12 H new ATOM 0 HH11 ARG A 59 10.687 7.450 8.253 1.00 31.13 H new ATOM 0 HH12 ARG A 59 10.741 7.559 10.015 1.00 31.13 H new ATOM 0 HH21 ARG A 59 7.838 9.541 10.261 1.00 14.35 H new ATOM 0 HH22 ARG A 59 9.138 8.735 11.145 1.00 14.35 H new ATOM 1006 N VAL A 60 5.656 8.069 3.266 1.00 43.33 N ATOM 1007 CA VAL A 60 5.750 8.032 1.789 1.00 3.33 C ATOM 1008 C VAL A 60 7.218 7.990 1.335 1.00 11.21 C ATOM 1009 O VAL A 60 8.139 8.106 2.155 1.00 43.55 O ATOM 1010 CB VAL A 60 5.002 9.256 1.141 1.00 55.11 C ATOM 1011 CG1 VAL A 60 3.557 9.318 1.664 1.00 30.41 C ATOM 1012 CG2 VAL A 60 5.736 10.604 1.380 1.00 44.40 C ATOM 0 H VAL A 60 5.728 9.009 3.655 1.00 43.33 H new ATOM 0 HA VAL A 60 5.260 7.120 1.447 1.00 3.33 H new ATOM 0 HB VAL A 60 4.992 9.101 0.062 1.00 55.11 H new ATOM 0 HG11 VAL A 60 3.043 10.167 1.213 1.00 30.41 H new ATOM 0 HG12 VAL A 60 3.036 8.397 1.403 1.00 30.41 H new ATOM 0 HG13 VAL A 60 3.567 9.434 2.748 1.00 30.41 H new ATOM 0 HG21 VAL A 60 5.175 11.412 0.911 1.00 44.40 H new ATOM 0 HG22 VAL A 60 5.814 10.791 2.451 1.00 44.40 H new ATOM 0 HG23 VAL A 60 6.735 10.556 0.946 1.00 44.40 H new ATOM 1022 N HIS A 61 7.423 7.779 0.029 1.00 3.32 N ATOM 1023 CA HIS A 61 8.748 7.816 -0.610 1.00 72.21 C ATOM 1024 C HIS A 61 8.708 8.753 -1.831 1.00 54.15 C ATOM 1025 O HIS A 61 8.013 8.471 -2.819 1.00 22.13 O ATOM 1026 CB HIS A 61 9.209 6.399 -1.038 1.00 71.41 C ATOM 1027 CG HIS A 61 10.517 6.404 -1.793 1.00 1.53 C ATOM 1028 ND1 HIS A 61 10.605 6.141 -3.146 1.00 51.32 N ATOM 1029 CD2 HIS A 61 11.784 6.671 -1.387 1.00 53.01 C ATOM 1030 CE1 HIS A 61 11.859 6.244 -3.530 1.00 12.20 C ATOM 1031 NE2 HIS A 61 12.593 6.564 -2.485 1.00 73.23 N ATOM 0 H HIS A 61 6.666 7.575 -0.623 1.00 3.32 H new ATOM 0 HA HIS A 61 9.468 8.194 0.116 1.00 72.21 H new ATOM 0 HB2 HIS A 61 9.311 5.773 -0.151 1.00 71.41 H new ATOM 0 HB3 HIS A 61 8.438 5.946 -1.661 1.00 71.41 H new ATOM 0 HD2 HIS A 61 12.096 6.921 -0.384 1.00 53.01 H new ATOM 0 HE1 HIS A 61 12.225 6.092 -4.535 1.00 12.20 H new ATOM 0 HE2 HIS A 61 13.603 6.709 -2.493 1.00 73.23 H new ATOM 1040 N GLY A 62 9.458 9.869 -1.733 1.00 22.21 N ATOM 1041 CA GLY A 62 9.610 10.826 -2.827 1.00 64.21 C ATOM 1042 C GLY A 62 8.314 11.549 -3.190 1.00 23.12 C ATOM 1043 O GLY A 62 7.408 11.678 -2.359 1.00 23.34 O ATOM 0 H GLY A 62 9.972 10.124 -0.890 1.00 22.21 H new ATOM 0 HA2 GLY A 62 10.363 11.564 -2.551 1.00 64.21 H new ATOM 0 HA3 GLY A 62 9.984 10.303 -3.707 1.00 64.21 H new ATOM 1047 N THR A 63 8.240 12.012 -4.446 1.00 53.21 N ATOM 1048 CA THR A 63 7.085 12.743 -5.002 1.00 23.11 C ATOM 1049 C THR A 63 6.252 11.861 -5.951 1.00 34.22 C ATOM 1050 O THR A 63 5.302 12.341 -6.578 1.00 74.13 O ATOM 1051 CB THR A 63 7.575 14.031 -5.752 1.00 13.11 C ATOM 1052 OG1 THR A 63 8.640 13.686 -6.656 1.00 13.33 O ATOM 1053 CG2 THR A 63 8.066 15.119 -4.781 1.00 62.25 C ATOM 0 H THR A 63 8.995 11.888 -5.120 1.00 53.21 H new ATOM 0 HA THR A 63 6.442 13.030 -4.170 1.00 23.11 H new ATOM 0 HB THR A 63 6.723 14.434 -6.300 1.00 13.11 H new ATOM 0 HG1 THR A 63 8.944 14.491 -7.125 1.00 13.33 H new ATOM 0 HG21 THR A 63 8.395 15.990 -5.347 1.00 62.25 H new ATOM 0 HG22 THR A 63 7.253 15.405 -4.114 1.00 62.25 H new ATOM 0 HG23 THR A 63 8.899 14.733 -4.193 1.00 62.25 H new ATOM 1061 N LYS A 64 6.583 10.561 -6.011 1.00 41.05 N ATOM 1062 CA LYS A 64 6.007 9.620 -6.992 1.00 41.50 C ATOM 1063 C LYS A 64 4.674 9.010 -6.523 1.00 72.33 C ATOM 1064 O LYS A 64 4.109 8.165 -7.224 1.00 62.34 O ATOM 1065 CB LYS A 64 7.047 8.505 -7.300 1.00 43.20 C ATOM 1066 CG LYS A 64 8.369 9.041 -7.892 1.00 1.34 C ATOM 1067 CD LYS A 64 8.167 9.743 -9.259 1.00 22.50 C ATOM 1068 CE LYS A 64 9.412 10.508 -9.729 1.00 32.43 C ATOM 1069 NZ LYS A 64 9.756 11.619 -8.809 1.00 43.42 N ATOM 0 H LYS A 64 7.259 10.130 -5.380 1.00 41.05 H new ATOM 0 HA LYS A 64 5.780 10.180 -7.899 1.00 41.50 H new ATOM 0 HB2 LYS A 64 7.264 7.959 -6.382 1.00 43.20 H new ATOM 0 HB3 LYS A 64 6.608 7.793 -7.999 1.00 43.20 H new ATOM 0 HG2 LYS A 64 8.819 9.743 -7.190 1.00 1.34 H new ATOM 0 HG3 LYS A 64 9.071 8.215 -8.012 1.00 1.34 H new ATOM 0 HD2 LYS A 64 7.901 8.998 -10.008 1.00 22.50 H new ATOM 0 HD3 LYS A 64 7.328 10.435 -9.186 1.00 22.50 H new ATOM 0 HE2 LYS A 64 10.255 9.821 -9.800 1.00 32.43 H new ATOM 0 HE3 LYS A 64 9.239 10.905 -10.729 1.00 32.43 H new ATOM 0 HZ1 LYS A 64 10.429 12.260 -9.276 1.00 43.42 H new ATOM 0 HZ2 LYS A 64 8.893 12.143 -8.560 1.00 43.42 H new ATOM 0 HZ3 LYS A 64 10.188 11.233 -7.945 1.00 43.42 H new ATOM 1083 N GLY A 65 4.180 9.431 -5.336 1.00 42.13 N ATOM 1084 CA GLY A 65 2.925 8.900 -4.777 1.00 42.31 C ATOM 1085 C GLY A 65 3.074 7.507 -4.164 1.00 51.41 C ATOM 1086 O GLY A 65 2.092 6.931 -3.689 1.00 11.02 O ATOM 0 H GLY A 65 4.633 10.134 -4.752 1.00 42.13 H new ATOM 0 HA2 GLY A 65 2.556 9.587 -4.015 1.00 42.31 H new ATOM 0 HA3 GLY A 65 2.172 8.864 -5.564 1.00 42.31 H new ATOM 1090 N ALA A 66 4.310 6.966 -4.186 1.00 35.41 N ATOM 1091 CA ALA A 66 4.616 5.633 -3.665 1.00 1.14 C ATOM 1092 C ALA A 66 4.641 5.660 -2.129 1.00 54.33 C ATOM 1093 O ALA A 66 5.459 6.360 -1.530 1.00 73.32 O ATOM 1094 CB ALA A 66 5.958 5.137 -4.229 1.00 4.41 C ATOM 0 H ALA A 66 5.122 7.450 -4.569 1.00 35.41 H new ATOM 0 HA ALA A 66 3.837 4.939 -3.982 1.00 1.14 H new ATOM 0 HB1 ALA A 66 6.174 4.144 -3.834 1.00 4.41 H new ATOM 0 HB2 ALA A 66 5.901 5.090 -5.316 1.00 4.41 H new ATOM 0 HB3 ALA A 66 6.752 5.825 -3.937 1.00 4.41 H new ATOM 1100 N VAL A 67 3.736 4.893 -1.513 1.00 40.23 N ATOM 1101 CA VAL A 67 3.562 4.847 -0.057 1.00 22.21 C ATOM 1102 C VAL A 67 4.214 3.581 0.530 1.00 2.14 C ATOM 1103 O VAL A 67 4.333 2.547 -0.142 1.00 52.34 O ATOM 1104 CB VAL A 67 2.029 4.886 0.324 1.00 64.41 C ATOM 1105 CG1 VAL A 67 1.359 6.192 -0.165 1.00 35.55 C ATOM 1106 CG2 VAL A 67 1.264 3.650 -0.216 1.00 4.41 C ATOM 0 H VAL A 67 3.096 4.279 -2.017 1.00 40.23 H new ATOM 0 HA VAL A 67 4.052 5.724 0.367 1.00 22.21 H new ATOM 0 HB VAL A 67 1.976 4.859 1.412 1.00 64.41 H new ATOM 0 HG11 VAL A 67 0.305 6.187 0.113 1.00 35.55 H new ATOM 0 HG12 VAL A 67 1.852 7.048 0.296 1.00 35.55 H new ATOM 0 HG13 VAL A 67 1.448 6.263 -1.249 1.00 35.55 H new ATOM 0 HG21 VAL A 67 0.214 3.719 0.069 1.00 4.41 H new ATOM 0 HG22 VAL A 67 1.343 3.619 -1.303 1.00 4.41 H new ATOM 0 HG23 VAL A 67 1.696 2.742 0.205 1.00 4.41 H new ATOM 1116 N ARG A 68 4.659 3.697 1.785 1.00 44.41 N ATOM 1117 CA ARG A 68 5.151 2.570 2.582 1.00 14.23 C ATOM 1118 C ARG A 68 4.054 2.190 3.572 1.00 73.15 C ATOM 1119 O ARG A 68 3.820 2.902 4.559 1.00 15.02 O ATOM 1120 CB ARG A 68 6.449 2.944 3.353 1.00 2.22 C ATOM 1121 CG ARG A 68 7.620 3.404 2.463 1.00 14.41 C ATOM 1122 CD ARG A 68 8.829 3.887 3.279 1.00 50.11 C ATOM 1123 NE ARG A 68 9.979 4.192 2.409 1.00 30.42 N ATOM 1124 CZ ARG A 68 10.700 5.321 2.424 1.00 10.42 C ATOM 1125 NH1 ARG A 68 10.413 6.316 3.262 1.00 62.30 N ATOM 1126 NH2 ARG A 68 11.728 5.431 1.599 1.00 10.54 N ATOM 0 H ARG A 68 4.688 4.587 2.282 1.00 44.41 H new ATOM 0 HA ARG A 68 5.393 1.736 1.923 1.00 14.23 H new ATOM 0 HB2 ARG A 68 6.217 3.738 4.063 1.00 2.22 H new ATOM 0 HB3 ARG A 68 6.771 2.080 3.935 1.00 2.22 H new ATOM 0 HG2 ARG A 68 7.927 2.580 1.819 1.00 14.41 H new ATOM 0 HG3 ARG A 68 7.281 4.209 1.811 1.00 14.41 H new ATOM 0 HD2 ARG A 68 8.555 4.776 3.847 1.00 50.11 H new ATOM 0 HD3 ARG A 68 9.111 3.122 4.002 1.00 50.11 H new ATOM 0 HE ARG A 68 10.251 3.478 1.733 1.00 30.42 H new ATOM 0 HH11 ARG A 68 9.630 6.227 3.910 1.00 62.30 H new ATOM 0 HH12 ARG A 68 10.976 7.167 3.256 1.00 62.30 H new ATOM 0 HH21 ARG A 68 11.959 4.664 0.967 1.00 10.54 H new ATOM 0 HH22 ARG A 68 12.290 6.282 1.595 1.00 10.54 H new ATOM 1140 N ALA A 69 3.366 1.089 3.290 1.00 10.31 N ATOM 1141 CA ALA A 69 2.333 0.549 4.171 1.00 31.44 C ATOM 1142 C ALA A 69 2.903 -0.682 4.872 1.00 54.52 C ATOM 1143 O ALA A 69 3.314 -1.639 4.210 1.00 65.40 O ATOM 1144 CB ALA A 69 1.064 0.219 3.366 1.00 43.32 C ATOM 0 H ALA A 69 3.509 0.543 2.441 1.00 10.31 H new ATOM 0 HA ALA A 69 2.045 1.283 4.923 1.00 31.44 H new ATOM 0 HB1 ALA A 69 0.303 -0.182 4.035 1.00 43.32 H new ATOM 0 HB2 ALA A 69 0.688 1.125 2.891 1.00 43.32 H new ATOM 0 HB3 ALA A 69 1.301 -0.520 2.601 1.00 43.32 H new ATOM 1150 N ARG A 70 2.994 -0.630 6.213 1.00 72.24 N ATOM 1151 CA ARG A 70 3.541 -1.739 7.006 1.00 11.14 C ATOM 1152 C ARG A 70 2.415 -2.695 7.393 1.00 64.44 C ATOM 1153 O ARG A 70 1.482 -2.304 8.101 1.00 51.24 O ATOM 1154 CB ARG A 70 4.251 -1.243 8.284 1.00 4.04 C ATOM 1155 CG ARG A 70 5.397 -0.246 8.048 1.00 15.25 C ATOM 1156 CD ARG A 70 6.342 -0.128 9.264 1.00 11.40 C ATOM 1157 NE ARG A 70 5.639 0.038 10.566 1.00 11.14 N ATOM 1158 CZ ARG A 70 5.417 -0.947 11.470 1.00 4.14 C ATOM 1159 NH1 ARG A 70 5.800 -2.195 11.224 1.00 24.11 N ATOM 1160 NH2 ARG A 70 4.801 -0.674 12.614 1.00 12.41 N ATOM 0 H ARG A 70 2.694 0.171 6.769 1.00 72.24 H new ATOM 0 HA ARG A 70 4.280 -2.251 6.390 1.00 11.14 H new ATOM 0 HB2 ARG A 70 3.511 -0.775 8.934 1.00 4.04 H new ATOM 0 HB3 ARG A 70 4.646 -2.106 8.820 1.00 4.04 H new ATOM 0 HG2 ARG A 70 5.971 -0.558 7.175 1.00 15.25 H new ATOM 0 HG3 ARG A 70 4.979 0.735 7.821 1.00 15.25 H new ATOM 0 HD2 ARG A 70 6.968 -1.019 9.312 1.00 11.40 H new ATOM 0 HD3 ARG A 70 7.008 0.721 9.112 1.00 11.40 H new ATOM 0 HE ARG A 70 5.296 0.970 10.797 1.00 11.14 H new ATOM 0 HH11 ARG A 70 6.267 -2.421 10.346 1.00 24.11 H new ATOM 0 HH12 ARG A 70 5.627 -2.927 11.913 1.00 24.11 H new ATOM 0 HH21 ARG A 70 4.494 0.278 12.813 1.00 12.41 H new ATOM 0 HH22 ARG A 70 4.635 -1.416 13.293 1.00 12.41 H new ATOM 1174 N PHE A 71 2.524 -3.942 6.927 1.00 30.43 N ATOM 1175 CA PHE A 71 1.534 -4.994 7.169 1.00 22.22 C ATOM 1176 C PHE A 71 1.994 -5.884 8.335 1.00 34.05 C ATOM 1177 O PHE A 71 3.146 -6.317 8.367 1.00 31.14 O ATOM 1178 CB PHE A 71 1.308 -5.811 5.865 1.00 52.12 C ATOM 1179 CG PHE A 71 0.583 -5.028 4.759 1.00 21.13 C ATOM 1180 CD1 PHE A 71 1.202 -3.988 4.084 1.00 43.24 C ATOM 1181 CD2 PHE A 71 -0.721 -5.337 4.398 1.00 52.31 C ATOM 1182 CE1 PHE A 71 0.539 -3.285 3.092 1.00 53.40 C ATOM 1183 CE2 PHE A 71 -1.384 -4.641 3.409 1.00 53.30 C ATOM 1184 CZ PHE A 71 -0.750 -3.618 2.753 1.00 72.11 C ATOM 0 H PHE A 71 3.314 -4.253 6.363 1.00 30.43 H new ATOM 0 HA PHE A 71 0.579 -4.550 7.451 1.00 22.22 H new ATOM 0 HB2 PHE A 71 2.273 -6.147 5.486 1.00 52.12 H new ATOM 0 HB3 PHE A 71 0.731 -6.704 6.103 1.00 52.12 H new ATOM 0 HD1 PHE A 71 2.218 -3.721 4.336 1.00 43.24 H new ATOM 0 HD2 PHE A 71 -1.230 -6.144 4.905 1.00 52.31 H new ATOM 0 HE1 PHE A 71 1.037 -2.473 2.583 1.00 53.40 H new ATOM 0 HE2 PHE A 71 -2.400 -4.901 3.152 1.00 53.30 H new ATOM 0 HZ PHE A 71 -1.262 -3.075 1.972 1.00 72.11 H new ATOM 1194 N GLU A 72 1.063 -6.134 9.280 1.00 54.35 N ATOM 1195 CA GLU A 72 1.291 -6.938 10.506 1.00 4.42 C ATOM 1196 C GLU A 72 1.886 -8.332 10.191 1.00 4.21 C ATOM 1197 O GLU A 72 2.788 -8.818 10.883 1.00 52.25 O ATOM 1198 CB GLU A 72 -0.055 -7.087 11.276 1.00 41.01 C ATOM 1199 CG GLU A 72 -1.234 -7.591 10.406 1.00 64.13 C ATOM 1200 CD GLU A 72 -2.515 -7.902 11.189 1.00 32.43 C ATOM 1201 OE1 GLU A 72 -3.149 -6.956 11.705 1.00 44.14 O ATOM 1202 OE2 GLU A 72 -2.896 -9.088 11.276 1.00 25.45 O ATOM 0 H GLU A 72 0.110 -5.776 9.213 1.00 54.35 H new ATOM 0 HA GLU A 72 2.021 -6.414 11.123 1.00 4.42 H new ATOM 0 HB2 GLU A 72 0.090 -7.778 12.107 1.00 41.01 H new ATOM 0 HB3 GLU A 72 -0.323 -6.122 11.706 1.00 41.01 H new ATOM 0 HG2 GLU A 72 -1.459 -6.838 9.650 1.00 64.13 H new ATOM 0 HG3 GLU A 72 -0.920 -8.490 9.876 1.00 64.13 H new ATOM 1209 N LYS A 73 1.347 -8.955 9.131 1.00 74.24 N ATOM 1210 CA LYS A 73 1.792 -10.262 8.629 1.00 65.23 C ATOM 1211 C LYS A 73 2.897 -10.054 7.583 1.00 4.22 C ATOM 1212 O LYS A 73 3.936 -10.711 7.637 1.00 1.41 O ATOM 1213 CB LYS A 73 0.586 -11.022 8.019 1.00 24.14 C ATOM 1214 CG LYS A 73 -0.547 -11.324 9.026 1.00 63.21 C ATOM 1215 CD LYS A 73 -0.136 -12.368 10.097 1.00 24.35 C ATOM 1216 CE LYS A 73 -1.178 -12.527 11.220 1.00 35.14 C ATOM 1217 NZ LYS A 73 -1.287 -11.306 12.061 1.00 0.44 N ATOM 0 H LYS A 73 0.578 -8.558 8.591 1.00 74.24 H new ATOM 0 HA LYS A 73 2.195 -10.859 9.447 1.00 65.23 H new ATOM 0 HB2 LYS A 73 0.179 -10.434 7.196 1.00 24.14 H new ATOM 0 HB3 LYS A 73 0.940 -11.962 7.595 1.00 24.14 H new ATOM 0 HG2 LYS A 73 -0.843 -10.399 9.521 1.00 63.21 H new ATOM 0 HG3 LYS A 73 -1.420 -11.689 8.485 1.00 63.21 H new ATOM 0 HD2 LYS A 73 0.018 -13.333 9.614 1.00 24.35 H new ATOM 0 HD3 LYS A 73 0.818 -12.074 10.534 1.00 24.35 H new ATOM 0 HE2 LYS A 73 -2.150 -12.753 10.782 1.00 35.14 H new ATOM 0 HE3 LYS A 73 -0.907 -13.376 11.848 1.00 35.14 H new ATOM 0 HZ1 LYS A 73 -1.657 -11.562 12.999 1.00 0.44 H new ATOM 0 HZ2 LYS A 73 -0.348 -10.872 12.166 1.00 0.44 H new ATOM 0 HZ3 LYS A 73 -1.933 -10.629 11.607 1.00 0.44 H new ATOM 1231 N GLY A 74 2.639 -9.124 6.630 1.00 50.02 N ATOM 1232 CA GLY A 74 3.621 -8.733 5.609 1.00 4.32 C ATOM 1233 C GLY A 74 4.082 -9.876 4.710 1.00 1.32 C ATOM 1234 O GLY A 74 5.256 -9.929 4.335 1.00 1.44 O ATOM 0 H GLY A 74 1.749 -8.632 6.555 1.00 50.02 H new ATOM 0 HA2 GLY A 74 3.188 -7.949 4.987 1.00 4.32 H new ATOM 0 HA3 GLY A 74 4.491 -8.303 6.105 1.00 4.32 H new ATOM 1238 N LEU A 75 3.144 -10.774 4.345 1.00 72.52 N ATOM 1239 CA LEU A 75 3.448 -11.965 3.523 1.00 60.20 C ATOM 1240 C LEU A 75 3.838 -11.550 2.081 1.00 24.53 C ATOM 1241 O LEU A 75 3.139 -10.746 1.456 1.00 52.33 O ATOM 1242 CB LEU A 75 2.234 -12.946 3.488 1.00 65.41 C ATOM 1243 CG LEU A 75 1.927 -13.697 4.821 1.00 14.02 C ATOM 1244 CD1 LEU A 75 0.651 -14.563 4.699 1.00 23.05 C ATOM 1245 CD2 LEU A 75 3.140 -14.548 5.261 1.00 1.14 C ATOM 0 H LEU A 75 2.162 -10.696 4.609 1.00 72.52 H new ATOM 0 HA LEU A 75 4.293 -12.479 3.981 1.00 60.20 H new ATOM 0 HB2 LEU A 75 1.346 -12.385 3.197 1.00 65.41 H new ATOM 0 HB3 LEU A 75 2.413 -13.687 2.709 1.00 65.41 H new ATOM 0 HG LEU A 75 1.741 -12.949 5.592 1.00 14.02 H new ATOM 0 HD11 LEU A 75 0.465 -15.073 5.644 1.00 23.05 H new ATOM 0 HD12 LEU A 75 -0.200 -13.926 4.457 1.00 23.05 H new ATOM 0 HD13 LEU A 75 0.787 -15.302 3.909 1.00 23.05 H new ATOM 0 HD21 LEU A 75 2.904 -15.063 6.192 1.00 1.14 H new ATOM 0 HD22 LEU A 75 3.369 -15.282 4.488 1.00 1.14 H new ATOM 0 HD23 LEU A 75 4.003 -13.900 5.413 1.00 1.14 H new ATOM 1257 N PRO A 76 4.972 -12.099 1.541 1.00 14.53 N ATOM 1258 CA PRO A 76 5.459 -11.761 0.185 1.00 42.31 C ATOM 1259 C PRO A 76 4.620 -12.447 -0.917 1.00 42.02 C ATOM 1260 O PRO A 76 3.713 -13.241 -0.625 1.00 52.10 O ATOM 1261 CB PRO A 76 6.916 -12.286 0.211 1.00 2.21 C ATOM 1262 CG PRO A 76 6.868 -13.467 1.137 1.00 73.12 C ATOM 1263 CD PRO A 76 5.853 -13.110 2.201 1.00 52.23 C ATOM 0 HA PRO A 76 5.387 -10.698 -0.046 1.00 42.31 H new ATOM 0 HB2 PRO A 76 7.253 -12.575 -0.785 1.00 2.21 H new ATOM 0 HB3 PRO A 76 7.607 -11.525 0.573 1.00 2.21 H new ATOM 0 HG2 PRO A 76 6.575 -14.371 0.604 1.00 73.12 H new ATOM 0 HG3 PRO A 76 7.846 -13.660 1.578 1.00 73.12 H new ATOM 0 HD2 PRO A 76 5.286 -13.985 2.520 1.00 52.23 H new ATOM 0 HD3 PRO A 76 6.334 -12.700 3.089 1.00 52.23 H new ATOM 1271 N GLY A 77 4.938 -12.138 -2.179 1.00 61.33 N ATOM 1272 CA GLY A 77 4.233 -12.719 -3.319 1.00 34.32 C ATOM 1273 C GLY A 77 4.725 -12.166 -4.643 1.00 53.51 C ATOM 1274 O GLY A 77 5.296 -11.070 -4.693 1.00 15.52 O ATOM 0 H GLY A 77 5.681 -11.487 -2.433 1.00 61.33 H new ATOM 0 HA2 GLY A 77 4.362 -13.801 -3.310 1.00 34.32 H new ATOM 0 HA3 GLY A 77 3.165 -12.524 -3.221 1.00 34.32 H new ATOM 1278 N GLN A 78 4.502 -12.921 -5.730 1.00 64.40 N ATOM 1279 CA GLN A 78 4.798 -12.459 -7.107 1.00 2.22 C ATOM 1280 C GLN A 78 3.540 -11.839 -7.753 1.00 53.24 C ATOM 1281 O GLN A 78 3.406 -11.777 -8.977 1.00 24.11 O ATOM 1282 CB GLN A 78 5.371 -13.624 -7.961 1.00 54.42 C ATOM 1283 CG GLN A 78 4.457 -14.856 -8.102 1.00 33.50 C ATOM 1284 CD GLN A 78 5.032 -15.917 -9.042 1.00 40.01 C ATOM 1285 OE1 GLN A 78 4.776 -15.901 -10.246 1.00 33.23 O ATOM 1286 NE2 GLN A 78 5.811 -16.843 -8.507 1.00 10.31 N ATOM 0 H GLN A 78 4.114 -13.863 -5.687 1.00 64.40 H new ATOM 0 HA GLN A 78 5.560 -11.681 -7.061 1.00 2.22 H new ATOM 0 HB2 GLN A 78 5.596 -13.244 -8.958 1.00 54.42 H new ATOM 0 HB3 GLN A 78 6.316 -13.943 -7.521 1.00 54.42 H new ATOM 0 HG2 GLN A 78 4.296 -15.298 -7.119 1.00 33.50 H new ATOM 0 HG3 GLN A 78 3.482 -14.539 -8.473 1.00 33.50 H new ATOM 0 HE21 GLN A 78 6.005 -16.830 -7.506 1.00 10.31 H new ATOM 0 HE22 GLN A 78 6.218 -17.570 -9.096 1.00 10.31 H new ATOM 1295 N ALA A 79 2.642 -11.320 -6.897 1.00 32.24 N ATOM 1296 CA ALA A 79 1.399 -10.639 -7.304 1.00 13.51 C ATOM 1297 C ALA A 79 1.641 -9.125 -7.524 1.00 30.15 C ATOM 1298 O ALA A 79 0.735 -8.306 -7.335 1.00 32.21 O ATOM 1299 CB ALA A 79 0.311 -10.899 -6.242 1.00 53.33 C ATOM 0 H ALA A 79 2.761 -11.363 -5.885 1.00 32.24 H new ATOM 0 HA ALA A 79 1.058 -11.042 -8.258 1.00 13.51 H new ATOM 0 HB1 ALA A 79 -0.611 -10.398 -6.536 1.00 53.33 H new ATOM 0 HB2 ALA A 79 0.132 -11.971 -6.160 1.00 53.33 H new ATOM 0 HB3 ALA A 79 0.643 -10.512 -5.279 1.00 53.33 H new ATOM 1305 N LEU A 80 2.886 -8.767 -7.910 1.00 51.50 N ATOM 1306 CA LEU A 80 3.282 -7.378 -8.217 1.00 3.34 C ATOM 1307 C LEU A 80 2.461 -6.846 -9.405 1.00 63.13 C ATOM 1308 O LEU A 80 2.643 -7.297 -10.538 1.00 73.30 O ATOM 1309 CB LEU A 80 4.807 -7.319 -8.530 1.00 64.44 C ATOM 1310 CG LEU A 80 5.748 -7.881 -7.421 1.00 42.35 C ATOM 1311 CD1 LEU A 80 7.236 -7.701 -7.797 1.00 4.01 C ATOM 1312 CD2 LEU A 80 5.431 -7.235 -6.062 1.00 22.43 C ATOM 0 H LEU A 80 3.647 -9.438 -8.017 1.00 51.50 H new ATOM 0 HA LEU A 80 3.081 -6.747 -7.351 1.00 3.34 H new ATOM 0 HB2 LEU A 80 4.992 -7.871 -9.451 1.00 64.44 H new ATOM 0 HB3 LEU A 80 5.080 -6.281 -8.721 1.00 64.44 H new ATOM 0 HG LEU A 80 5.565 -8.952 -7.336 1.00 42.35 H new ATOM 0 HD11 LEU A 80 7.863 -8.104 -7.002 1.00 4.01 H new ATOM 0 HD12 LEU A 80 7.443 -8.231 -8.726 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.452 -6.641 -7.928 1.00 4.01 H new ATOM 0 HD21 LEU A 80 6.099 -7.641 -5.302 1.00 22.43 H new ATOM 0 HD22 LEU A 80 5.572 -6.156 -6.130 1.00 22.43 H new ATOM 0 HD23 LEU A 80 4.398 -7.450 -5.789 1.00 22.43 H new ATOM 1324 N GLY A 81 1.541 -5.904 -9.123 1.00 25.41 N ATOM 1325 CA GLY A 81 0.595 -5.389 -10.122 1.00 54.30 C ATOM 1326 C GLY A 81 -0.864 -5.492 -9.673 1.00 22.41 C ATOM 1327 O GLY A 81 -1.741 -4.849 -10.263 1.00 52.02 O ATOM 0 H GLY A 81 1.436 -5.483 -8.200 1.00 25.41 H new ATOM 0 HA2 GLY A 81 0.831 -4.346 -10.334 1.00 54.30 H new ATOM 0 HA3 GLY A 81 0.723 -5.941 -11.053 1.00 54.30 H new ATOM 1331 N ASP A 82 -1.118 -6.290 -8.615 1.00 74.14 N ATOM 1332 CA ASP A 82 -2.480 -6.550 -8.090 1.00 31.31 C ATOM 1333 C ASP A 82 -3.028 -5.326 -7.320 1.00 23.22 C ATOM 1334 O ASP A 82 -2.261 -4.455 -6.906 1.00 14.03 O ATOM 1335 CB ASP A 82 -2.461 -7.817 -7.185 1.00 74.31 C ATOM 1336 CG ASP A 82 -3.860 -8.280 -6.747 1.00 20.14 C ATOM 1337 OD1 ASP A 82 -4.700 -8.578 -7.624 1.00 4.41 O ATOM 1338 OD2 ASP A 82 -4.129 -8.356 -5.534 1.00 34.04 O ATOM 0 H ASP A 82 -0.384 -6.775 -8.098 1.00 74.14 H new ATOM 0 HA ASP A 82 -3.149 -6.728 -8.932 1.00 31.31 H new ATOM 0 HB2 ASP A 82 -1.970 -8.629 -7.721 1.00 74.31 H new ATOM 0 HB3 ASP A 82 -1.861 -7.611 -6.298 1.00 74.31 H new ATOM 1343 N TYR A 83 -4.362 -5.268 -7.151 1.00 31.44 N ATOM 1344 CA TYR A 83 -5.053 -4.146 -6.489 1.00 14.15 C ATOM 1345 C TYR A 83 -5.130 -4.345 -4.966 1.00 20.14 C ATOM 1346 O TYR A 83 -5.493 -5.419 -4.486 1.00 35.25 O ATOM 1347 CB TYR A 83 -6.480 -3.965 -7.067 1.00 14.21 C ATOM 1348 CG TYR A 83 -6.515 -3.431 -8.511 1.00 21.51 C ATOM 1349 CD1 TYR A 83 -6.000 -4.181 -9.573 1.00 61.32 C ATOM 1350 CD2 TYR A 83 -7.067 -2.181 -8.814 1.00 13.41 C ATOM 1351 CE1 TYR A 83 -6.031 -3.710 -10.873 1.00 4.41 C ATOM 1352 CE2 TYR A 83 -7.100 -1.709 -10.116 1.00 0.12 C ATOM 1353 CZ TYR A 83 -6.581 -2.476 -11.140 1.00 74.34 C ATOM 1354 OH TYR A 83 -6.616 -2.007 -12.439 1.00 31.24 O ATOM 0 H TYR A 83 -4.994 -6.002 -7.471 1.00 31.44 H new ATOM 0 HA TYR A 83 -4.469 -3.247 -6.685 1.00 14.15 H new ATOM 0 HB2 TYR A 83 -6.997 -4.924 -7.034 1.00 14.21 H new ATOM 0 HB3 TYR A 83 -7.035 -3.281 -6.425 1.00 14.21 H new ATOM 0 HD1 TYR A 83 -5.568 -5.151 -9.373 1.00 61.32 H new ATOM 0 HD2 TYR A 83 -7.474 -1.574 -8.019 1.00 13.41 H new ATOM 0 HE1 TYR A 83 -5.625 -4.308 -11.676 1.00 4.41 H new ATOM 0 HE2 TYR A 83 -7.531 -0.742 -10.330 1.00 0.12 H new ATOM 0 HH TYR A 83 -7.037 -1.122 -12.456 1.00 31.24 H new ATOM 1364 N VAL A 84 -4.759 -3.290 -4.228 1.00 2.33 N ATOM 1365 CA VAL A 84 -5.002 -3.170 -2.775 1.00 4.21 C ATOM 1366 C VAL A 84 -6.164 -2.184 -2.555 1.00 60.34 C ATOM 1367 O VAL A 84 -6.384 -1.301 -3.387 1.00 50.23 O ATOM 1368 CB VAL A 84 -3.718 -2.651 -2.009 1.00 15.24 C ATOM 1369 CG1 VAL A 84 -2.483 -3.532 -2.298 1.00 30.34 C ATOM 1370 CG2 VAL A 84 -3.411 -1.167 -2.325 1.00 73.00 C ATOM 0 H VAL A 84 -4.276 -2.484 -4.623 1.00 2.33 H new ATOM 0 HA VAL A 84 -5.248 -4.156 -2.379 1.00 4.21 H new ATOM 0 HB VAL A 84 -3.945 -2.724 -0.945 1.00 15.24 H new ATOM 0 HG11 VAL A 84 -1.623 -3.142 -1.754 1.00 30.34 H new ATOM 0 HG12 VAL A 84 -2.682 -4.555 -1.978 1.00 30.34 H new ATOM 0 HG13 VAL A 84 -2.271 -3.522 -3.367 1.00 30.34 H new ATOM 0 HG21 VAL A 84 -2.522 -0.855 -1.777 1.00 73.00 H new ATOM 0 HG22 VAL A 84 -3.237 -1.051 -3.395 1.00 73.00 H new ATOM 0 HG23 VAL A 84 -4.257 -0.549 -2.026 1.00 73.00 H new ATOM 1380 N GLU A 85 -6.926 -2.349 -1.468 1.00 52.14 N ATOM 1381 CA GLU A 85 -7.947 -1.372 -1.057 1.00 33.41 C ATOM 1382 C GLU A 85 -7.470 -0.651 0.207 1.00 41.31 C ATOM 1383 O GLU A 85 -7.424 -1.249 1.291 1.00 43.21 O ATOM 1384 CB GLU A 85 -9.321 -2.067 -0.813 1.00 32.32 C ATOM 1385 CG GLU A 85 -10.020 -2.621 -2.085 1.00 33.30 C ATOM 1386 CD GLU A 85 -9.346 -3.855 -2.720 1.00 42.01 C ATOM 1387 OE1 GLU A 85 -9.396 -4.937 -2.103 1.00 0.31 O ATOM 1388 OE2 GLU A 85 -8.797 -3.758 -3.845 1.00 41.41 O ATOM 0 H GLU A 85 -6.855 -3.157 -0.850 1.00 52.14 H new ATOM 0 HA GLU A 85 -8.088 -0.645 -1.857 1.00 33.41 H new ATOM 0 HB2 GLU A 85 -9.174 -2.889 -0.112 1.00 32.32 H new ATOM 0 HB3 GLU A 85 -9.990 -1.353 -0.332 1.00 32.32 H new ATOM 0 HG2 GLU A 85 -11.048 -2.879 -1.832 1.00 33.30 H new ATOM 0 HG3 GLU A 85 -10.064 -1.827 -2.831 1.00 33.30 H new ATOM 1395 N ILE A 86 -7.108 0.632 0.058 1.00 71.14 N ATOM 1396 CA ILE A 86 -6.702 1.477 1.188 1.00 54.14 C ATOM 1397 C ILE A 86 -7.973 2.078 1.802 1.00 14.13 C ATOM 1398 O ILE A 86 -8.450 3.139 1.394 1.00 74.25 O ATOM 1399 CB ILE A 86 -5.698 2.612 0.745 1.00 50.04 C ATOM 1400 CG1 ILE A 86 -4.479 1.991 -0.010 1.00 73.22 C ATOM 1401 CG2 ILE A 86 -5.229 3.452 1.962 1.00 24.04 C ATOM 1402 CD1 ILE A 86 -3.536 3.005 -0.627 1.00 52.35 C ATOM 0 H ILE A 86 -7.089 1.109 -0.843 1.00 71.14 H new ATOM 0 HA ILE A 86 -6.172 0.872 1.923 1.00 54.14 H new ATOM 0 HB ILE A 86 -6.220 3.284 0.064 1.00 50.04 H new ATOM 0 HG12 ILE A 86 -3.917 1.368 0.685 1.00 73.22 H new ATOM 0 HG13 ILE A 86 -4.851 1.335 -0.797 1.00 73.22 H new ATOM 0 HG21 ILE A 86 -4.539 4.226 1.626 1.00 24.04 H new ATOM 0 HG22 ILE A 86 -6.092 3.918 2.437 1.00 24.04 H new ATOM 0 HG23 ILE A 86 -4.726 2.804 2.679 1.00 24.04 H new ATOM 0 HD11 ILE A 86 -2.721 2.485 -1.130 1.00 52.35 H new ATOM 0 HD12 ILE A 86 -4.079 3.614 -1.350 1.00 52.35 H new ATOM 0 HD13 ILE A 86 -3.130 3.647 0.155 1.00 52.35 H new ATOM 1414 N VAL A 87 -8.507 1.361 2.786 1.00 65.22 N ATOM 1415 CA VAL A 87 -9.747 1.719 3.478 1.00 62.24 C ATOM 1416 C VAL A 87 -9.483 2.879 4.457 1.00 51.04 C ATOM 1417 O VAL A 87 -8.385 3.006 5.014 1.00 34.42 O ATOM 1418 CB VAL A 87 -10.332 0.456 4.225 1.00 61.12 C ATOM 1419 CG1 VAL A 87 -11.646 0.766 4.986 1.00 51.35 C ATOM 1420 CG2 VAL A 87 -10.541 -0.703 3.220 1.00 4.43 C ATOM 0 H VAL A 87 -8.085 0.500 3.133 1.00 65.22 H new ATOM 0 HA VAL A 87 -10.488 2.052 2.751 1.00 62.24 H new ATOM 0 HB VAL A 87 -9.602 0.157 4.977 1.00 61.12 H new ATOM 0 HG11 VAL A 87 -12.002 -0.138 5.480 1.00 51.35 H new ATOM 0 HG12 VAL A 87 -11.461 1.539 5.732 1.00 51.35 H new ATOM 0 HG13 VAL A 87 -12.401 1.116 4.282 1.00 51.35 H new ATOM 0 HG21 VAL A 87 -10.945 -1.570 3.743 1.00 4.43 H new ATOM 0 HG22 VAL A 87 -11.239 -0.390 2.444 1.00 4.43 H new ATOM 0 HG23 VAL A 87 -9.586 -0.966 2.764 1.00 4.43 H new ATOM 1430 N LEU A 88 -10.497 3.733 4.638 1.00 50.24 N ATOM 1431 CA LEU A 88 -10.454 4.862 5.591 1.00 54.32 C ATOM 1432 C LEU A 88 -10.471 4.346 7.056 1.00 12.23 C ATOM 1433 O LEU A 88 -10.319 3.138 7.296 1.00 13.31 O ATOM 1434 CB LEU A 88 -11.638 5.832 5.286 1.00 50.33 C ATOM 1435 CG LEU A 88 -11.409 6.876 4.130 1.00 53.34 C ATOM 1436 CD1 LEU A 88 -10.290 7.882 4.505 1.00 33.45 C ATOM 1437 CD2 LEU A 88 -11.102 6.191 2.768 1.00 11.45 C ATOM 0 H LEU A 88 -11.378 3.665 4.128 1.00 50.24 H new ATOM 0 HA LEU A 88 -9.523 5.415 5.471 1.00 54.32 H new ATOM 0 HB2 LEU A 88 -12.514 5.233 5.037 1.00 50.33 H new ATOM 0 HB3 LEU A 88 -11.875 6.379 6.198 1.00 50.33 H new ATOM 0 HG LEU A 88 -12.343 7.425 4.009 1.00 53.34 H new ATOM 0 HD11 LEU A 88 -10.151 8.592 3.690 1.00 33.45 H new ATOM 0 HD12 LEU A 88 -10.572 8.419 5.411 1.00 33.45 H new ATOM 0 HD13 LEU A 88 -9.359 7.343 4.678 1.00 33.45 H new ATOM 0 HD21 LEU A 88 -10.952 6.953 2.003 1.00 11.45 H new ATOM 0 HD22 LEU A 88 -10.200 5.586 2.860 1.00 11.45 H new ATOM 0 HD23 LEU A 88 -11.939 5.553 2.485 1.00 11.45 H new ATOM 1449 N GLU A 89 -10.663 5.265 8.024 1.00 53.11 N ATOM 1450 CA GLU A 89 -10.561 4.952 9.462 1.00 21.51 C ATOM 1451 C GLU A 89 -11.616 3.921 9.902 1.00 12.00 C ATOM 1452 O GLU A 89 -12.752 4.275 10.250 1.00 12.22 O ATOM 1453 CB GLU A 89 -10.671 6.243 10.300 1.00 50.33 C ATOM 1454 CG GLU A 89 -9.577 7.277 10.001 1.00 75.23 C ATOM 1455 CD GLU A 89 -8.157 6.777 10.298 1.00 12.11 C ATOM 1456 OE1 GLU A 89 -7.784 6.696 11.489 1.00 13.45 O ATOM 1457 OE2 GLU A 89 -7.403 6.489 9.340 1.00 43.45 O ATOM 0 H GLU A 89 -10.892 6.240 7.831 1.00 53.11 H new ATOM 0 HA GLU A 89 -9.583 4.503 9.635 1.00 21.51 H new ATOM 0 HB2 GLU A 89 -11.645 6.698 10.121 1.00 50.33 H new ATOM 0 HB3 GLU A 89 -10.630 5.982 11.358 1.00 50.33 H new ATOM 0 HG2 GLU A 89 -9.639 7.565 8.952 1.00 75.23 H new ATOM 0 HG3 GLU A 89 -9.767 8.174 10.590 1.00 75.23 H new ATOM 1464 N HIS A 90 -11.223 2.643 9.812 1.00 50.45 N ATOM 1465 CA HIS A 90 -12.041 1.506 10.228 1.00 44.12 C ATOM 1466 C HIS A 90 -12.133 1.483 11.767 1.00 23.04 C ATOM 1467 O HIS A 90 -11.266 0.925 12.450 1.00 1.44 O ATOM 1468 CB HIS A 90 -11.437 0.198 9.640 1.00 24.41 C ATOM 1469 CG HIS A 90 -12.193 -1.076 9.952 1.00 71.52 C ATOM 1470 ND1 HIS A 90 -13.195 -1.578 9.146 1.00 33.21 N ATOM 1471 CD2 HIS A 90 -12.060 -1.967 10.970 1.00 54.51 C ATOM 1472 CE1 HIS A 90 -13.637 -2.710 9.659 1.00 71.14 C ATOM 1473 NE2 HIS A 90 -12.968 -2.966 10.759 1.00 71.44 N ATOM 0 H HIS A 90 -10.312 2.371 9.442 1.00 50.45 H new ATOM 0 HA HIS A 90 -13.057 1.594 9.844 1.00 44.12 H new ATOM 0 HB2 HIS A 90 -11.374 0.304 8.557 1.00 24.41 H new ATOM 0 HB3 HIS A 90 -10.417 0.093 10.010 1.00 24.41 H new ATOM 0 HD2 HIS A 90 -11.365 -1.898 11.794 1.00 54.51 H new ATOM 0 HE1 HIS A 90 -14.421 -3.325 9.242 1.00 71.14 H new ATOM 0 HE2 HIS A 90 -13.104 -3.779 11.359 1.00 71.44 H new ATOM 1482 N HIS A 91 -13.149 2.187 12.290 1.00 61.53 N ATOM 1483 CA HIS A 91 -13.443 2.254 13.726 1.00 14.04 C ATOM 1484 C HIS A 91 -14.376 1.081 14.101 1.00 63.02 C ATOM 1485 O HIS A 91 -13.896 0.095 14.697 1.00 60.11 O ATOM 1486 CB HIS A 91 -14.076 3.631 14.091 1.00 43.34 C ATOM 1487 CG HIS A 91 -14.529 3.720 15.526 1.00 20.31 C ATOM 1488 ND1 HIS A 91 -15.860 3.731 15.888 1.00 51.03 N ATOM 1489 CD2 HIS A 91 -13.831 3.757 16.685 1.00 72.24 C ATOM 1490 CE1 HIS A 91 -15.956 3.763 17.199 1.00 10.40 C ATOM 1491 NE2 HIS A 91 -14.742 3.780 17.708 1.00 12.34 N ATOM 0 H HIS A 91 -13.796 2.731 11.719 1.00 61.53 H new ATOM 0 HA HIS A 91 -12.520 2.165 14.298 1.00 14.04 H new ATOM 0 HB2 HIS A 91 -13.349 4.420 13.898 1.00 43.34 H new ATOM 0 HB3 HIS A 91 -14.928 3.816 13.437 1.00 43.34 H new ATOM 0 HD2 HIS A 91 -12.756 3.767 16.785 1.00 72.24 H new ATOM 0 HE1 HIS A 91 -16.877 3.774 17.764 1.00 10.40 H new ATOM 0 HE2 HIS A 91 -14.516 3.806 18.702 1.00 12.34 H new TER 1500 HIS A 91