USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 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 10 TYR OH : rot -77:sc= 0.386 USER MOD Set 1.2: A 22 MET CE :methyl -143:sc= -0.216 (180deg=-1.76) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0963) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 0.255 (180deg=-0.414) USER MOD Single : A 9 SER OG : rot 140:sc= -0.452 USER MOD Single : A 13 SER OG : rot 151:sc= 0.473 USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.0185 (180deg=-0.178) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.0757 K(o=0.076,f=-5.9!) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0421 (180deg=-0.302) USER MOD Single : A 30 ASN : amide:sc= -0.677 K(o=-0.68,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0.437 (180deg=0.421) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -73:sc= 0.999 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0.665 (180deg=0.453) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00847) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0161 (180deg=-0.206) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.53) 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=-0.0021) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.824 6.483 0.353 1.00 34.31 N ATOM 2 CA MET A 1 -14.092 5.179 0.995 1.00 31.42 C ATOM 3 C MET A 1 -12.834 4.300 0.925 1.00 13.41 C ATOM 4 O MET A 1 -12.358 3.788 1.946 1.00 51.43 O ATOM 5 CB MET A 1 -15.297 4.463 0.319 1.00 45.12 C ATOM 6 CG MET A 1 -16.564 5.323 0.201 1.00 30.43 C ATOM 7 SD MET A 1 -17.106 5.973 1.797 1.00 64.13 S ATOM 8 CE MET A 1 -18.411 7.095 1.293 1.00 5.42 C ATOM 0 H1 MET A 1 -14.611 7.134 0.548 1.00 34.31 H new ATOM 0 H2 MET A 1 -12.942 6.882 0.733 1.00 34.31 H new ATOM 0 H3 MET A 1 -13.730 6.351 -0.674 1.00 34.31 H new ATOM 0 HA MET A 1 -14.350 5.350 2.040 1.00 31.42 H new ATOM 0 HB2 MET A 1 -14.998 4.140 -0.678 1.00 45.12 H new ATOM 0 HB3 MET A 1 -15.535 3.564 0.888 1.00 45.12 H new ATOM 0 HG2 MET A 1 -16.375 6.152 -0.481 1.00 30.43 H new ATOM 0 HG3 MET A 1 -17.365 4.727 -0.237 1.00 30.43 H new ATOM 0 HE1 MET A 1 -18.841 7.572 2.174 1.00 5.42 H new ATOM 0 HE2 MET A 1 -18.000 7.858 0.632 1.00 5.42 H new ATOM 0 HE3 MET A 1 -19.186 6.538 0.767 1.00 5.42 H new ATOM 20 N ARG A 2 -12.300 4.149 -0.303 1.00 1.23 N ATOM 21 CA ARG A 2 -11.119 3.317 -0.591 1.00 5.30 C ATOM 22 C ARG A 2 -10.310 3.920 -1.748 1.00 64.14 C ATOM 23 O ARG A 2 -10.840 4.691 -2.555 1.00 4.22 O ATOM 24 CB ARG A 2 -11.559 1.876 -0.941 1.00 11.23 C ATOM 25 CG ARG A 2 -12.540 1.778 -2.141 1.00 44.14 C ATOM 26 CD ARG A 2 -12.962 0.335 -2.438 1.00 32.02 C ATOM 27 NE ARG A 2 -13.564 -0.323 -1.258 1.00 0.20 N ATOM 28 CZ ARG A 2 -13.463 -1.626 -0.957 1.00 54.24 C ATOM 29 NH1 ARG A 2 -12.782 -2.458 -1.737 1.00 12.25 N ATOM 30 NH2 ARG A 2 -14.056 -2.101 0.129 1.00 62.23 N ATOM 0 H ARG A 2 -12.682 4.607 -1.131 1.00 1.23 H new ATOM 0 HA ARG A 2 -10.487 3.288 0.296 1.00 5.30 H new ATOM 0 HB2 ARG A 2 -10.672 1.282 -1.163 1.00 11.23 H new ATOM 0 HB3 ARG A 2 -12.030 1.430 -0.065 1.00 11.23 H new ATOM 0 HG2 ARG A 2 -13.427 2.376 -1.931 1.00 44.14 H new ATOM 0 HG3 ARG A 2 -12.069 2.205 -3.027 1.00 44.14 H new ATOM 0 HD2 ARG A 2 -13.678 0.329 -3.260 1.00 32.02 H new ATOM 0 HD3 ARG A 2 -12.094 -0.236 -2.767 1.00 32.02 H new ATOM 0 HE ARG A 2 -14.101 0.264 -0.619 1.00 0.20 H new ATOM 0 HH11 ARG A 2 -12.326 -2.109 -2.580 1.00 12.25 H new ATOM 0 HH12 ARG A 2 -12.715 -3.446 -1.493 1.00 12.25 H new ATOM 0 HH21 ARG A 2 -14.588 -1.476 0.734 1.00 62.23 H new ATOM 0 HH22 ARG A 2 -13.980 -3.092 0.359 1.00 62.23 H new ATOM 44 N ILE A 3 -9.027 3.547 -1.818 1.00 22.34 N ATOM 45 CA ILE A 3 -8.080 3.998 -2.857 1.00 11.12 C ATOM 46 C ILE A 3 -7.343 2.759 -3.386 1.00 1.33 C ATOM 47 O ILE A 3 -6.793 1.998 -2.596 1.00 13.51 O ATOM 48 CB ILE A 3 -7.063 5.066 -2.258 1.00 70.33 C ATOM 49 CG1 ILE A 3 -7.787 6.438 -2.044 1.00 73.14 C ATOM 50 CG2 ILE A 3 -5.766 5.229 -3.104 1.00 43.31 C ATOM 51 CD1 ILE A 3 -6.938 7.549 -1.453 1.00 51.10 C ATOM 0 H ILE A 3 -8.605 2.910 -1.142 1.00 22.34 H new ATOM 0 HA ILE A 3 -8.610 4.488 -3.674 1.00 11.12 H new ATOM 0 HB ILE A 3 -6.732 4.684 -1.292 1.00 70.33 H new ATOM 0 HG12 ILE A 3 -8.176 6.776 -3.005 1.00 73.14 H new ATOM 0 HG13 ILE A 3 -8.645 6.276 -1.392 1.00 73.14 H new ATOM 0 HG21 ILE A 3 -5.119 5.972 -2.638 1.00 43.31 H new ATOM 0 HG22 ILE A 3 -5.243 4.274 -3.156 1.00 43.31 H new ATOM 0 HG23 ILE A 3 -6.027 5.555 -4.111 1.00 43.31 H new ATOM 0 HD11 ILE A 3 -7.541 8.451 -1.349 1.00 51.10 H new ATOM 0 HD12 ILE A 3 -6.570 7.244 -0.474 1.00 51.10 H new ATOM 0 HD13 ILE A 3 -6.093 7.751 -2.111 1.00 51.10 H new ATOM 63 N LYS A 4 -7.306 2.567 -4.710 1.00 34.15 N ATOM 64 CA LYS A 4 -6.683 1.370 -5.310 1.00 35.53 C ATOM 65 C LYS A 4 -5.199 1.640 -5.525 1.00 23.12 C ATOM 66 O LYS A 4 -4.831 2.670 -6.099 1.00 70.01 O ATOM 67 CB LYS A 4 -7.349 0.970 -6.654 1.00 70.44 C ATOM 68 CG LYS A 4 -8.763 0.372 -6.510 1.00 74.01 C ATOM 69 CD LYS A 4 -9.294 -0.196 -7.848 1.00 64.33 C ATOM 70 CE LYS A 4 -10.633 -0.925 -7.697 1.00 31.11 C ATOM 71 NZ LYS A 4 -10.553 -2.049 -6.726 1.00 15.50 N ATOM 0 H LYS A 4 -7.697 3.220 -5.389 1.00 34.15 H new ATOM 0 HA LYS A 4 -6.824 0.535 -4.623 1.00 35.53 H new ATOM 0 HB2 LYS A 4 -7.403 1.850 -7.295 1.00 70.44 H new ATOM 0 HB3 LYS A 4 -6.711 0.246 -7.160 1.00 70.44 H new ATOM 0 HG2 LYS A 4 -8.747 -0.420 -5.761 1.00 74.01 H new ATOM 0 HG3 LYS A 4 -9.446 1.140 -6.146 1.00 74.01 H new ATOM 0 HD2 LYS A 4 -9.408 0.619 -8.563 1.00 64.33 H new ATOM 0 HD3 LYS A 4 -8.557 -0.883 -8.263 1.00 64.33 H new ATOM 0 HE2 LYS A 4 -11.395 -0.218 -7.370 1.00 31.11 H new ATOM 0 HE3 LYS A 4 -10.948 -1.307 -8.668 1.00 31.11 H new ATOM 0 HZ1 LYS A 4 -11.192 -2.813 -7.026 1.00 15.50 H new ATOM 0 HZ2 LYS A 4 -9.578 -2.408 -6.690 1.00 15.50 H new ATOM 0 HZ3 LYS A 4 -10.834 -1.713 -5.782 1.00 15.50 H new ATOM 85 N GLY A 5 -4.360 0.722 -5.025 1.00 24.42 N ATOM 86 CA GLY A 5 -2.910 0.810 -5.154 1.00 60.20 C ATOM 87 C GLY A 5 -2.331 -0.441 -5.796 1.00 51.42 C ATOM 88 O GLY A 5 -2.809 -1.537 -5.536 1.00 3.45 O ATOM 0 H GLY A 5 -4.676 -0.105 -4.518 1.00 24.42 H new ATOM 0 HA2 GLY A 5 -2.649 1.682 -5.754 1.00 60.20 H new ATOM 0 HA3 GLY A 5 -2.464 0.955 -4.170 1.00 60.20 H new ATOM 92 N VAL A 6 -1.310 -0.284 -6.642 1.00 44.13 N ATOM 93 CA VAL A 6 -0.664 -1.412 -7.331 1.00 52.24 C ATOM 94 C VAL A 6 0.538 -1.906 -6.512 1.00 1.30 C ATOM 95 O VAL A 6 1.364 -1.097 -6.068 1.00 35.50 O ATOM 96 CB VAL A 6 -0.237 -0.991 -8.782 1.00 44.34 C ATOM 97 CG1 VAL A 6 0.554 -2.100 -9.506 1.00 72.41 C ATOM 98 CG2 VAL A 6 -1.485 -0.579 -9.596 1.00 64.40 C ATOM 0 H VAL A 6 -0.906 0.624 -6.871 1.00 44.13 H new ATOM 0 HA VAL A 6 -1.374 -2.235 -7.420 1.00 52.24 H new ATOM 0 HB VAL A 6 0.435 -0.137 -8.697 1.00 44.34 H new ATOM 0 HG11 VAL A 6 0.826 -1.760 -10.505 1.00 72.41 H new ATOM 0 HG12 VAL A 6 1.458 -2.329 -8.942 1.00 72.41 H new ATOM 0 HG13 VAL A 6 -0.063 -2.996 -9.583 1.00 72.41 H new ATOM 0 HG21 VAL A 6 -1.183 -0.288 -10.602 1.00 64.40 H new ATOM 0 HG22 VAL A 6 -2.176 -1.420 -9.654 1.00 64.40 H new ATOM 0 HG23 VAL A 6 -1.977 0.262 -9.107 1.00 64.40 H new ATOM 108 N VAL A 7 0.602 -3.238 -6.301 1.00 0.41 N ATOM 109 CA VAL A 7 1.683 -3.901 -5.553 1.00 43.11 C ATOM 110 C VAL A 7 2.988 -3.812 -6.362 1.00 12.33 C ATOM 111 O VAL A 7 3.194 -4.584 -7.307 1.00 50.10 O ATOM 112 CB VAL A 7 1.341 -5.422 -5.256 1.00 63.32 C ATOM 113 CG1 VAL A 7 2.421 -6.091 -4.369 1.00 33.10 C ATOM 114 CG2 VAL A 7 -0.066 -5.571 -4.634 1.00 45.11 C ATOM 0 H VAL A 7 -0.104 -3.886 -6.650 1.00 0.41 H new ATOM 0 HA VAL A 7 1.797 -3.392 -4.596 1.00 43.11 H new ATOM 0 HB VAL A 7 1.338 -5.944 -6.213 1.00 63.32 H new ATOM 0 HG11 VAL A 7 2.150 -7.131 -4.188 1.00 33.10 H new ATOM 0 HG12 VAL A 7 3.385 -6.050 -4.876 1.00 33.10 H new ATOM 0 HG13 VAL A 7 2.489 -5.563 -3.418 1.00 33.10 H new ATOM 0 HG21 VAL A 7 -0.270 -6.625 -4.443 1.00 45.11 H new ATOM 0 HG22 VAL A 7 -0.110 -5.017 -3.696 1.00 45.11 H new ATOM 0 HG23 VAL A 7 -0.812 -5.177 -5.324 1.00 45.11 H new ATOM 124 N LEU A 8 3.832 -2.826 -6.028 1.00 71.30 N ATOM 125 CA LEU A 8 5.120 -2.626 -6.706 1.00 42.11 C ATOM 126 C LEU A 8 6.138 -3.656 -6.196 1.00 13.42 C ATOM 127 O LEU A 8 6.721 -4.407 -6.993 1.00 33.40 O ATOM 128 CB LEU A 8 5.633 -1.171 -6.510 1.00 25.51 C ATOM 129 CG LEU A 8 4.695 -0.041 -7.048 1.00 63.02 C ATOM 130 CD1 LEU A 8 5.312 1.363 -6.839 1.00 15.32 C ATOM 131 CD2 LEU A 8 4.323 -0.278 -8.531 1.00 64.41 C ATOM 0 H LEU A 8 3.644 -2.150 -5.287 1.00 71.30 H new ATOM 0 HA LEU A 8 4.985 -2.776 -7.777 1.00 42.11 H new ATOM 0 HB2 LEU A 8 5.798 -1.004 -5.446 1.00 25.51 H new ATOM 0 HB3 LEU A 8 6.602 -1.078 -7.001 1.00 25.51 H new ATOM 0 HG LEU A 8 3.774 -0.079 -6.466 1.00 63.02 H new ATOM 0 HD11 LEU A 8 4.631 2.121 -7.226 1.00 15.32 H new ATOM 0 HD12 LEU A 8 5.478 1.533 -5.775 1.00 15.32 H new ATOM 0 HD13 LEU A 8 6.262 1.425 -7.369 1.00 15.32 H new ATOM 0 HD21 LEU A 8 3.670 0.524 -8.875 1.00 64.41 H new ATOM 0 HD22 LEU A 8 5.230 -0.293 -9.136 1.00 64.41 H new ATOM 0 HD23 LEU A 8 3.806 -1.233 -8.628 1.00 64.41 H new ATOM 143 N SER A 9 6.310 -3.721 -4.863 1.00 21.41 N ATOM 144 CA SER A 9 7.305 -4.613 -4.246 1.00 21.31 C ATOM 145 C SER A 9 7.054 -4.775 -2.729 1.00 60.51 C ATOM 146 O SER A 9 6.107 -4.201 -2.178 1.00 32.24 O ATOM 147 CB SER A 9 8.737 -4.071 -4.520 1.00 3.34 C ATOM 148 OG SER A 9 9.718 -5.044 -4.232 1.00 14.42 O ATOM 0 H SER A 9 5.774 -3.167 -4.195 1.00 21.41 H new ATOM 0 HA SER A 9 7.209 -5.602 -4.695 1.00 21.31 H new ATOM 0 HB2 SER A 9 8.819 -3.766 -5.563 1.00 3.34 H new ATOM 0 HB3 SER A 9 8.914 -3.183 -3.914 1.00 3.34 H new ATOM 0 HG SER A 9 10.420 -5.013 -4.915 1.00 14.42 H new ATOM 154 N TYR A 10 7.909 -5.591 -2.079 1.00 73.43 N ATOM 155 CA TYR A 10 7.931 -5.796 -0.617 1.00 14.32 C ATOM 156 C TYR A 10 9.375 -5.618 -0.127 1.00 54.54 C ATOM 157 O TYR A 10 10.311 -6.112 -0.767 1.00 1.01 O ATOM 158 CB TYR A 10 7.448 -7.231 -0.224 1.00 11.33 C ATOM 159 CG TYR A 10 6.022 -7.594 -0.665 1.00 45.23 C ATOM 160 CD1 TYR A 10 4.916 -7.311 0.144 1.00 52.12 C ATOM 161 CD2 TYR A 10 5.780 -8.227 -1.889 1.00 61.42 C ATOM 162 CE1 TYR A 10 3.634 -7.645 -0.257 1.00 71.11 C ATOM 163 CE2 TYR A 10 4.500 -8.556 -2.288 1.00 54.23 C ATOM 164 CZ TYR A 10 3.433 -8.263 -1.472 1.00 64.20 C ATOM 165 OH TYR A 10 2.157 -8.582 -1.880 1.00 54.43 O ATOM 0 H TYR A 10 8.619 -6.137 -2.567 1.00 73.43 H new ATOM 0 HA TYR A 10 7.257 -5.072 -0.158 1.00 14.32 H new ATOM 0 HB2 TYR A 10 8.138 -7.958 -0.653 1.00 11.33 H new ATOM 0 HB3 TYR A 10 7.511 -7.332 0.859 1.00 11.33 H new ATOM 0 HD1 TYR A 10 5.065 -6.824 1.096 1.00 52.12 H new ATOM 0 HD2 TYR A 10 6.612 -8.463 -2.535 1.00 61.42 H new ATOM 0 HE1 TYR A 10 2.792 -7.421 0.382 1.00 71.11 H new ATOM 0 HE2 TYR A 10 4.337 -9.042 -3.239 1.00 54.23 H new ATOM 0 HH TYR A 10 1.852 -9.382 -1.404 1.00 54.43 H new ATOM 175 N ARG A 11 9.553 -4.876 0.973 1.00 32.04 N ATOM 176 CA ARG A 11 10.787 -4.894 1.777 1.00 12.45 C ATOM 177 C ARG A 11 10.445 -5.551 3.105 1.00 73.31 C ATOM 178 O ARG A 11 9.663 -4.995 3.882 1.00 65.44 O ATOM 179 CB ARG A 11 11.376 -3.466 2.046 1.00 34.21 C ATOM 180 CG ARG A 11 12.024 -2.781 0.822 1.00 33.12 C ATOM 181 CD ARG A 11 11.007 -2.327 -0.230 1.00 65.12 C ATOM 182 NE ARG A 11 11.649 -1.820 -1.454 1.00 31.45 N ATOM 183 CZ ARG A 11 11.888 -2.548 -2.553 1.00 50.13 C ATOM 184 NH1 ARG A 11 11.555 -3.835 -2.601 1.00 3.32 N ATOM 185 NH2 ARG A 11 12.455 -1.982 -3.605 1.00 22.03 N ATOM 0 H ARG A 11 8.841 -4.241 1.335 1.00 32.04 H new ATOM 0 HA ARG A 11 11.551 -5.440 1.222 1.00 12.45 H new ATOM 0 HB2 ARG A 11 10.577 -2.826 2.420 1.00 34.21 H new ATOM 0 HB3 ARG A 11 12.122 -3.541 2.837 1.00 34.21 H new ATOM 0 HG2 ARG A 11 12.597 -1.917 1.159 1.00 33.12 H new ATOM 0 HG3 ARG A 11 12.730 -3.471 0.360 1.00 33.12 H new ATOM 0 HD2 ARG A 11 10.355 -3.163 -0.485 1.00 65.12 H new ATOM 0 HD3 ARG A 11 10.374 -1.547 0.194 1.00 65.12 H new ATOM 0 HE ARG A 11 11.933 -0.841 -1.466 1.00 31.45 H new ATOM 0 HH11 ARG A 11 11.113 -4.278 -1.796 1.00 3.32 H new ATOM 0 HH12 ARG A 11 11.742 -4.379 -3.443 1.00 3.32 H new ATOM 0 HH21 ARG A 11 12.709 -0.994 -3.578 1.00 22.03 H new ATOM 0 HH22 ARG A 11 12.639 -2.533 -4.444 1.00 22.03 H new ATOM 199 N ARG A 12 11.012 -6.739 3.360 1.00 35.25 N ATOM 200 CA ARG A 12 10.873 -7.387 4.661 1.00 15.13 C ATOM 201 C ARG A 12 11.762 -6.635 5.660 1.00 51.34 C ATOM 202 O ARG A 12 12.813 -6.093 5.275 1.00 43.34 O ATOM 203 CB ARG A 12 11.227 -8.909 4.603 1.00 62.15 C ATOM 204 CG ARG A 12 12.732 -9.261 4.497 1.00 64.21 C ATOM 205 CD ARG A 12 12.996 -10.784 4.554 1.00 20.44 C ATOM 206 NE ARG A 12 14.427 -11.087 4.760 1.00 21.10 N ATOM 207 CZ ARG A 12 14.962 -12.317 4.872 1.00 21.14 C ATOM 208 NH1 ARG A 12 14.208 -13.415 4.803 1.00 13.43 N ATOM 209 NH2 ARG A 12 16.269 -12.439 5.071 1.00 74.41 N ATOM 0 H ARG A 12 11.567 -7.264 2.684 1.00 35.25 H new ATOM 0 HA ARG A 12 9.832 -7.342 4.981 1.00 15.13 H new ATOM 0 HB2 ARG A 12 10.826 -9.388 5.496 1.00 62.15 H new ATOM 0 HB3 ARG A 12 10.712 -9.347 3.748 1.00 62.15 H new ATOM 0 HG2 ARG A 12 13.129 -8.863 3.563 1.00 64.21 H new ATOM 0 HG3 ARG A 12 13.273 -8.772 5.307 1.00 64.21 H new ATOM 0 HD2 ARG A 12 12.412 -11.224 5.362 1.00 20.44 H new ATOM 0 HD3 ARG A 12 12.657 -11.246 3.627 1.00 20.44 H new ATOM 0 HE ARG A 12 15.066 -10.294 4.823 1.00 21.10 H new ATOM 0 HH11 ARG A 12 13.201 -13.334 4.662 1.00 13.43 H new ATOM 0 HH12 ARG A 12 14.638 -14.336 4.891 1.00 13.43 H new ATOM 0 HH21 ARG A 12 16.855 -11.607 5.137 1.00 74.41 H new ATOM 0 HH22 ARG A 12 16.687 -13.365 5.158 1.00 74.41 H new ATOM 223 N SER A 13 11.308 -6.550 6.911 1.00 53.52 N ATOM 224 CA SER A 13 12.053 -5.918 8.005 1.00 54.23 C ATOM 225 C SER A 13 13.445 -6.586 8.172 1.00 72.33 C ATOM 226 O SER A 13 13.604 -7.773 7.872 1.00 52.22 O ATOM 227 CB SER A 13 11.209 -6.042 9.288 1.00 61.22 C ATOM 228 OG SER A 13 9.918 -5.475 9.108 1.00 64.13 O ATOM 0 H SER A 13 10.403 -6.922 7.198 1.00 53.52 H new ATOM 0 HA SER A 13 12.231 -4.865 7.788 1.00 54.23 H new ATOM 0 HB2 SER A 13 11.113 -7.092 9.564 1.00 61.22 H new ATOM 0 HB3 SER A 13 11.718 -5.541 10.112 1.00 61.22 H new ATOM 0 HG SER A 13 9.276 -5.933 9.689 1.00 64.13 H new ATOM 234 N LYS A 14 14.447 -5.804 8.597 1.00 52.25 N ATOM 235 CA LYS A 14 15.845 -6.280 8.731 1.00 31.13 C ATOM 236 C LYS A 14 16.026 -6.913 10.123 1.00 20.52 C ATOM 237 O LYS A 14 16.418 -8.079 10.245 1.00 41.25 O ATOM 238 CB LYS A 14 16.843 -5.095 8.503 1.00 42.40 C ATOM 239 CG LYS A 14 18.209 -5.471 7.861 1.00 61.10 C ATOM 240 CD LYS A 14 19.043 -6.497 8.667 1.00 11.54 C ATOM 241 CE LYS A 14 20.448 -6.713 8.083 1.00 4.42 C ATOM 242 NZ LYS A 14 21.275 -5.480 8.149 1.00 65.22 N ATOM 0 H LYS A 14 14.320 -4.826 8.858 1.00 52.25 H new ATOM 0 HA LYS A 14 16.058 -7.035 7.974 1.00 31.13 H new ATOM 0 HB2 LYS A 14 16.357 -4.353 7.869 1.00 42.40 H new ATOM 0 HB3 LYS A 14 17.034 -4.617 9.464 1.00 42.40 H new ATOM 0 HG2 LYS A 14 18.028 -5.873 6.864 1.00 61.10 H new ATOM 0 HG3 LYS A 14 18.798 -4.563 7.736 1.00 61.10 H new ATOM 0 HD2 LYS A 14 19.132 -6.156 9.698 1.00 11.54 H new ATOM 0 HD3 LYS A 14 18.514 -7.450 8.691 1.00 11.54 H new ATOM 0 HE2 LYS A 14 20.948 -7.514 8.628 1.00 4.42 H new ATOM 0 HE3 LYS A 14 20.363 -7.037 7.046 1.00 4.42 H new ATOM 0 HZ1 LYS A 14 22.266 -5.715 7.938 1.00 65.22 H new ATOM 0 HZ2 LYS A 14 20.927 -4.791 7.452 1.00 65.22 H new ATOM 0 HZ3 LYS A 14 21.212 -5.070 9.103 1.00 65.22 H new ATOM 256 N GLU A 15 15.721 -6.120 11.162 1.00 0.42 N ATOM 257 CA GLU A 15 15.839 -6.541 12.576 1.00 53.05 C ATOM 258 C GLU A 15 14.729 -7.550 12.950 1.00 13.33 C ATOM 259 O GLU A 15 14.873 -8.334 13.896 1.00 11.12 O ATOM 260 CB GLU A 15 15.774 -5.301 13.503 1.00 21.40 C ATOM 261 CG GLU A 15 16.845 -4.224 13.215 1.00 21.54 C ATOM 262 CD GLU A 15 16.802 -3.050 14.205 1.00 52.21 C ATOM 263 OE1 GLU A 15 17.364 -3.175 15.315 1.00 52.14 O ATOM 264 OE2 GLU A 15 16.191 -2.008 13.892 1.00 1.42 O ATOM 0 H GLU A 15 15.384 -5.164 11.050 1.00 0.42 H new ATOM 0 HA GLU A 15 16.801 -7.036 12.708 1.00 53.05 H new ATOM 0 HB2 GLU A 15 14.787 -4.847 13.411 1.00 21.40 H new ATOM 0 HB3 GLU A 15 15.878 -5.631 14.537 1.00 21.40 H new ATOM 0 HG2 GLU A 15 17.833 -4.684 13.249 1.00 21.54 H new ATOM 0 HG3 GLU A 15 16.706 -3.843 12.203 1.00 21.54 H new ATOM 271 N ASN A 16 13.629 -7.510 12.186 1.00 45.21 N ATOM 272 CA ASN A 16 12.426 -8.336 12.415 1.00 72.35 C ATOM 273 C ASN A 16 12.098 -9.127 11.131 1.00 53.20 C ATOM 274 O ASN A 16 12.832 -9.040 10.143 1.00 31.14 O ATOM 275 CB ASN A 16 11.235 -7.419 12.812 1.00 2.00 C ATOM 276 CG ASN A 16 11.520 -6.555 14.048 1.00 53.45 C ATOM 277 OD1 ASN A 16 12.073 -5.458 13.941 1.00 22.11 O ATOM 278 ND2 ASN A 16 11.149 -7.031 15.224 1.00 61.43 N ATOM 0 H ASN A 16 13.544 -6.894 11.377 1.00 45.21 H new ATOM 0 HA ASN A 16 12.608 -9.041 13.226 1.00 72.35 H new ATOM 0 HB2 ASN A 16 10.990 -6.769 11.972 1.00 2.00 H new ATOM 0 HB3 ASN A 16 10.358 -8.037 13.004 1.00 2.00 H new ATOM 0 HD21 ASN A 16 11.318 -6.488 16.071 1.00 61.43 H new ATOM 0 HD22 ASN A 16 10.693 -7.941 15.285 1.00 61.43 H new ATOM 285 N GLN A 17 11.013 -9.932 11.165 1.00 53.22 N ATOM 286 CA GLN A 17 10.426 -10.581 9.960 1.00 52.13 C ATOM 287 C GLN A 17 8.883 -10.430 9.961 1.00 32.43 C ATOM 288 O GLN A 17 8.181 -11.098 9.193 1.00 24.22 O ATOM 289 CB GLN A 17 10.855 -12.077 9.857 1.00 3.30 C ATOM 290 CG GLN A 17 12.375 -12.286 9.673 1.00 75.11 C ATOM 291 CD GLN A 17 12.793 -13.741 9.442 1.00 31.24 C ATOM 292 OE1 GLN A 17 13.067 -14.486 10.383 1.00 31.31 O ATOM 293 NE2 GLN A 17 12.864 -14.150 8.183 1.00 12.25 N ATOM 0 H GLN A 17 10.515 -10.154 12.027 1.00 53.22 H new ATOM 0 HA GLN A 17 10.814 -10.075 9.076 1.00 52.13 H new ATOM 0 HB2 GLN A 17 10.534 -12.599 10.758 1.00 3.30 H new ATOM 0 HB3 GLN A 17 10.332 -12.537 9.019 1.00 3.30 H new ATOM 0 HG2 GLN A 17 12.712 -11.686 8.828 1.00 75.11 H new ATOM 0 HG3 GLN A 17 12.890 -11.909 10.557 1.00 75.11 H new ATOM 0 HE21 GLN A 17 12.631 -13.509 7.425 1.00 12.25 H new ATOM 0 HE22 GLN A 17 13.152 -15.106 7.973 1.00 12.25 H new ATOM 302 N HIS A 18 8.375 -9.532 10.832 1.00 30.13 N ATOM 303 CA HIS A 18 6.962 -9.069 10.844 1.00 34.41 C ATOM 304 C HIS A 18 6.936 -7.545 10.751 1.00 51.33 C ATOM 305 O HIS A 18 7.982 -6.895 10.904 1.00 73.23 O ATOM 306 CB HIS A 18 6.200 -9.540 12.117 1.00 32.34 C ATOM 307 CG HIS A 18 5.874 -11.006 12.117 1.00 73.14 C ATOM 308 ND1 HIS A 18 4.649 -11.501 11.723 1.00 55.13 N ATOM 309 CD2 HIS A 18 6.615 -12.085 12.458 1.00 22.40 C ATOM 310 CE1 HIS A 18 4.656 -12.813 11.819 1.00 31.40 C ATOM 311 NE2 HIS A 18 5.832 -13.190 12.264 1.00 53.50 N ATOM 0 H HIS A 18 8.941 -9.098 11.561 1.00 30.13 H new ATOM 0 HA HIS A 18 6.454 -9.509 9.986 1.00 34.41 H new ATOM 0 HB2 HIS A 18 6.802 -9.311 12.996 1.00 32.34 H new ATOM 0 HB3 HIS A 18 5.275 -8.971 12.207 1.00 32.34 H new ATOM 0 HD2 HIS A 18 7.634 -12.076 12.816 1.00 22.40 H new ATOM 0 HE1 HIS A 18 3.834 -13.469 11.573 1.00 31.40 H new ATOM 0 HE2 HIS A 18 6.117 -14.154 12.438 1.00 53.50 H new ATOM 320 N ASN A 19 5.718 -6.995 10.514 1.00 30.22 N ATOM 321 CA ASN A 19 5.480 -5.540 10.321 1.00 21.10 C ATOM 322 C ASN A 19 6.299 -5.042 9.114 1.00 62.52 C ATOM 323 O ASN A 19 6.846 -3.936 9.117 1.00 43.44 O ATOM 324 CB ASN A 19 5.788 -4.735 11.620 1.00 34.40 C ATOM 325 CG ASN A 19 5.094 -5.326 12.850 1.00 15.34 C ATOM 326 OD1 ASN A 19 5.661 -6.163 13.548 1.00 33.11 O ATOM 327 ND2 ASN A 19 3.853 -4.937 13.097 1.00 74.14 N ATOM 0 H ASN A 19 4.866 -7.553 10.451 1.00 30.22 H new ATOM 0 HA ASN A 19 4.424 -5.375 10.107 1.00 21.10 H new ATOM 0 HB2 ASN A 19 6.865 -4.718 11.787 1.00 34.40 H new ATOM 0 HB3 ASN A 19 5.469 -3.701 11.488 1.00 34.40 H new ATOM 0 HD21 ASN A 19 3.341 -5.334 13.885 1.00 74.14 H new ATOM 0 HD22 ASN A 19 3.409 -4.240 12.500 1.00 74.14 H new ATOM 334 N ASN A 20 6.330 -5.888 8.062 1.00 62.34 N ATOM 335 CA ASN A 20 7.181 -5.689 6.872 1.00 3.54 C ATOM 336 C ASN A 20 6.549 -4.645 5.944 1.00 11.44 C ATOM 337 O ASN A 20 5.320 -4.561 5.843 1.00 53.25 O ATOM 338 CB ASN A 20 7.382 -7.024 6.104 1.00 43.52 C ATOM 339 CG ASN A 20 7.828 -8.172 7.013 1.00 23.41 C ATOM 340 OD1 ASN A 20 9.006 -8.331 7.323 1.00 44.51 O ATOM 341 ND2 ASN A 20 6.891 -8.990 7.436 1.00 51.31 N ATOM 0 H ASN A 20 5.761 -6.733 8.016 1.00 62.34 H new ATOM 0 HA ASN A 20 8.156 -5.333 7.205 1.00 3.54 H new ATOM 0 HB2 ASN A 20 6.449 -7.298 5.612 1.00 43.52 H new ATOM 0 HB3 ASN A 20 8.125 -6.878 5.320 1.00 43.52 H new ATOM 0 HD21 ASN A 20 7.135 -9.778 8.036 1.00 51.31 H new ATOM 0 HD22 ASN A 20 5.920 -8.837 7.165 1.00 51.31 H new ATOM 348 N VAL A 21 7.404 -3.914 5.222 1.00 10.31 N ATOM 349 CA VAL A 21 7.001 -2.765 4.398 1.00 31.33 C ATOM 350 C VAL A 21 6.604 -3.253 2.991 1.00 21.14 C ATOM 351 O VAL A 21 7.195 -4.189 2.459 1.00 4.42 O ATOM 352 CB VAL A 21 8.184 -1.723 4.279 1.00 11.01 C ATOM 353 CG1 VAL A 21 7.745 -0.462 3.506 1.00 21.11 C ATOM 354 CG2 VAL A 21 8.753 -1.361 5.675 1.00 55.15 C ATOM 0 H VAL A 21 8.406 -4.103 5.191 1.00 10.31 H new ATOM 0 HA VAL A 21 6.150 -2.277 4.874 1.00 31.33 H new ATOM 0 HB VAL A 21 8.984 -2.194 3.708 1.00 11.01 H new ATOM 0 HG11 VAL A 21 8.581 0.235 3.442 1.00 21.11 H new ATOM 0 HG12 VAL A 21 7.428 -0.743 2.502 1.00 21.11 H new ATOM 0 HG13 VAL A 21 6.915 0.014 4.028 1.00 21.11 H new ATOM 0 HG21 VAL A 21 9.565 -0.643 5.562 1.00 55.15 H new ATOM 0 HG22 VAL A 21 7.964 -0.924 6.287 1.00 55.15 H new ATOM 0 HG23 VAL A 21 9.130 -2.262 6.159 1.00 55.15 H new ATOM 364 N MET A 22 5.596 -2.602 2.410 1.00 71.12 N ATOM 365 CA MET A 22 5.036 -2.954 1.104 1.00 62.42 C ATOM 366 C MET A 22 4.942 -1.674 0.263 1.00 32.55 C ATOM 367 O MET A 22 4.250 -0.723 0.655 1.00 61.14 O ATOM 368 CB MET A 22 3.650 -3.603 1.331 1.00 53.15 C ATOM 369 CG MET A 22 2.902 -4.050 0.073 1.00 55.53 C ATOM 370 SD MET A 22 1.424 -4.996 0.503 1.00 41.01 S ATOM 371 CE MET A 22 0.741 -5.376 -1.095 1.00 70.41 C ATOM 0 H MET A 22 5.137 -1.800 2.842 1.00 71.12 H new ATOM 0 HA MET A 22 5.662 -3.668 0.569 1.00 62.42 H new ATOM 0 HB2 MET A 22 3.779 -4.469 1.980 1.00 53.15 H new ATOM 0 HB3 MET A 22 3.022 -2.893 1.869 1.00 53.15 H new ATOM 0 HG2 MET A 22 2.621 -3.178 -0.517 1.00 55.53 H new ATOM 0 HG3 MET A 22 3.559 -4.658 -0.549 1.00 55.53 H new ATOM 0 HE1 MET A 22 -0.347 -5.332 -1.045 1.00 70.41 H new ATOM 0 HE2 MET A 22 1.100 -4.651 -1.826 1.00 70.41 H new ATOM 0 HE3 MET A 22 1.051 -6.377 -1.394 1.00 70.41 H new ATOM 381 N ILE A 23 5.686 -1.645 -0.859 1.00 71.54 N ATOM 382 CA ILE A 23 5.709 -0.502 -1.786 1.00 32.33 C ATOM 383 C ILE A 23 4.433 -0.535 -2.636 1.00 44.25 C ATOM 384 O ILE A 23 4.234 -1.452 -3.442 1.00 10.25 O ATOM 385 CB ILE A 23 6.983 -0.515 -2.721 1.00 71.20 C ATOM 386 CG1 ILE A 23 8.288 -0.739 -1.899 1.00 32.25 C ATOM 387 CG2 ILE A 23 7.080 0.797 -3.546 1.00 2.30 C ATOM 388 CD1 ILE A 23 8.598 0.333 -0.866 1.00 10.30 C ATOM 0 H ILE A 23 6.289 -2.416 -1.147 1.00 71.54 H new ATOM 0 HA ILE A 23 5.756 0.415 -1.199 1.00 32.33 H new ATOM 0 HB ILE A 23 6.873 -1.350 -3.413 1.00 71.20 H new ATOM 0 HG12 ILE A 23 8.217 -1.700 -1.390 1.00 32.25 H new ATOM 0 HG13 ILE A 23 9.127 -0.806 -2.592 1.00 32.25 H new ATOM 0 HG21 ILE A 23 7.965 0.763 -4.181 1.00 2.30 H new ATOM 0 HG22 ILE A 23 6.191 0.902 -4.168 1.00 2.30 H new ATOM 0 HG23 ILE A 23 7.152 1.648 -2.869 1.00 2.30 H new ATOM 0 HD11 ILE A 23 9.525 0.083 -0.350 1.00 10.30 H new ATOM 0 HD12 ILE A 23 8.708 1.297 -1.363 1.00 10.30 H new ATOM 0 HD13 ILE A 23 7.784 0.388 -0.144 1.00 10.30 H new ATOM 400 N ILE A 24 3.568 0.443 -2.399 1.00 32.22 N ATOM 401 CA ILE A 24 2.258 0.567 -3.049 1.00 4.42 C ATOM 402 C ILE A 24 2.258 1.809 -3.963 1.00 70.41 C ATOM 403 O ILE A 24 2.921 2.808 -3.659 1.00 4.01 O ATOM 404 CB ILE A 24 1.133 0.668 -1.940 1.00 33.24 C ATOM 405 CG1 ILE A 24 1.127 -0.625 -1.054 1.00 52.22 C ATOM 406 CG2 ILE A 24 -0.271 0.949 -2.539 1.00 35.44 C ATOM 407 CD1 ILE A 24 0.190 -0.590 0.141 1.00 32.52 C ATOM 0 H ILE A 24 3.757 1.193 -1.734 1.00 32.22 H new ATOM 0 HA ILE A 24 2.055 -0.310 -3.664 1.00 4.42 H new ATOM 0 HB ILE A 24 1.372 1.524 -1.309 1.00 33.24 H new ATOM 0 HG12 ILE A 24 0.857 -1.474 -1.682 1.00 52.22 H new ATOM 0 HG13 ILE A 24 2.140 -0.804 -0.695 1.00 52.22 H new ATOM 0 HG21 ILE A 24 -1.004 1.008 -1.735 1.00 35.44 H new ATOM 0 HG22 ILE A 24 -0.252 1.893 -3.083 1.00 35.44 H new ATOM 0 HG23 ILE A 24 -0.544 0.143 -3.220 1.00 35.44 H new ATOM 0 HD11 ILE A 24 0.261 -1.531 0.687 1.00 32.52 H new ATOM 0 HD12 ILE A 24 0.469 0.233 0.798 1.00 32.52 H new ATOM 0 HD13 ILE A 24 -0.834 -0.447 -0.204 1.00 32.52 H new ATOM 419 N LYS A 25 1.537 1.712 -5.095 1.00 32.32 N ATOM 420 CA LYS A 25 1.302 2.827 -6.029 1.00 44.43 C ATOM 421 C LYS A 25 -0.191 3.220 -5.978 1.00 14.41 C ATOM 422 O LYS A 25 -0.996 2.658 -6.729 1.00 72.03 O ATOM 423 CB LYS A 25 1.717 2.409 -7.474 1.00 42.14 C ATOM 424 CG LYS A 25 1.315 3.405 -8.593 1.00 31.45 C ATOM 425 CD LYS A 25 1.688 2.903 -10.005 1.00 21.11 C ATOM 426 CE LYS A 25 3.200 2.897 -10.250 1.00 55.33 C ATOM 427 NZ LYS A 25 3.768 4.268 -10.158 1.00 0.42 N ATOM 0 H LYS A 25 1.094 0.842 -5.391 1.00 32.32 H new ATOM 0 HA LYS A 25 1.906 3.687 -5.740 1.00 44.43 H new ATOM 0 HB2 LYS A 25 2.799 2.276 -7.500 1.00 42.14 H new ATOM 0 HB3 LYS A 25 1.272 1.439 -7.696 1.00 42.14 H new ATOM 0 HG2 LYS A 25 0.240 3.581 -8.547 1.00 31.45 H new ATOM 0 HG3 LYS A 25 1.803 4.363 -8.413 1.00 31.45 H new ATOM 0 HD2 LYS A 25 1.298 1.895 -10.142 1.00 21.11 H new ATOM 0 HD3 LYS A 25 1.206 3.536 -10.750 1.00 21.11 H new ATOM 0 HE2 LYS A 25 3.686 2.250 -9.520 1.00 55.33 H new ATOM 0 HE3 LYS A 25 3.409 2.480 -11.235 1.00 55.33 H new ATOM 0 HZ1 LYS A 25 4.723 4.277 -10.570 1.00 0.42 H new ATOM 0 HZ2 LYS A 25 3.160 4.931 -10.679 1.00 0.42 H new ATOM 0 HZ3 LYS A 25 3.819 4.556 -9.160 1.00 0.42 H new ATOM 441 N PRO A 26 -0.617 4.137 -5.047 1.00 4.11 N ATOM 442 CA PRO A 26 -2.006 4.650 -5.031 1.00 3.11 C ATOM 443 C PRO A 26 -2.312 5.407 -6.347 1.00 73.03 C ATOM 444 O PRO A 26 -1.768 6.480 -6.596 1.00 44.31 O ATOM 445 CB PRO A 26 -2.046 5.569 -3.776 1.00 34.32 C ATOM 446 CG PRO A 26 -0.613 5.932 -3.512 1.00 52.34 C ATOM 447 CD PRO A 26 0.197 4.732 -3.951 1.00 60.02 C ATOM 0 HA PRO A 26 -2.766 3.871 -4.974 1.00 3.11 H new ATOM 0 HB2 PRO A 26 -2.651 6.457 -3.957 1.00 34.32 H new ATOM 0 HB3 PRO A 26 -2.486 5.052 -2.923 1.00 34.32 H new ATOM 0 HG2 PRO A 26 -0.326 6.824 -4.068 1.00 52.34 H new ATOM 0 HG3 PRO A 26 -0.452 6.149 -2.456 1.00 52.34 H new ATOM 0 HD2 PRO A 26 1.187 5.024 -4.301 1.00 60.02 H new ATOM 0 HD3 PRO A 26 0.343 4.027 -3.133 1.00 60.02 H new ATOM 455 N LEU A 27 -3.134 4.775 -7.204 1.00 61.41 N ATOM 456 CA LEU A 27 -3.470 5.266 -8.563 1.00 62.42 C ATOM 457 C LEU A 27 -4.211 6.609 -8.524 1.00 24.03 C ATOM 458 O LEU A 27 -4.056 7.439 -9.424 1.00 31.34 O ATOM 459 CB LEU A 27 -4.326 4.203 -9.305 1.00 20.15 C ATOM 460 CG LEU A 27 -3.644 2.817 -9.522 1.00 40.45 C ATOM 461 CD1 LEU A 27 -4.596 1.834 -10.240 1.00 2.10 C ATOM 462 CD2 LEU A 27 -2.299 2.967 -10.277 1.00 11.44 C ATOM 0 H LEU A 27 -3.594 3.894 -6.973 1.00 61.41 H new ATOM 0 HA LEU A 27 -2.535 5.428 -9.100 1.00 62.42 H new ATOM 0 HB2 LEU A 27 -5.248 4.050 -8.744 1.00 20.15 H new ATOM 0 HB3 LEU A 27 -4.608 4.605 -10.278 1.00 20.15 H new ATOM 0 HG LEU A 27 -3.420 2.396 -8.542 1.00 40.45 H new ATOM 0 HD11 LEU A 27 -4.094 0.876 -10.378 1.00 2.10 H new ATOM 0 HD12 LEU A 27 -5.493 1.690 -9.637 1.00 2.10 H new ATOM 0 HD13 LEU A 27 -4.874 2.241 -11.212 1.00 2.10 H new ATOM 0 HD21 LEU A 27 -1.847 1.985 -10.414 1.00 11.44 H new ATOM 0 HD22 LEU A 27 -2.477 3.423 -11.251 1.00 11.44 H new ATOM 0 HD23 LEU A 27 -1.625 3.599 -9.698 1.00 11.44 H new ATOM 474 N ASP A 28 -5.007 6.798 -7.465 1.00 22.24 N ATOM 475 CA ASP A 28 -5.750 8.046 -7.193 1.00 64.33 C ATOM 476 C ASP A 28 -4.788 9.241 -6.965 1.00 22.44 C ATOM 477 O ASP A 28 -5.147 10.395 -7.216 1.00 41.44 O ATOM 478 CB ASP A 28 -6.655 7.851 -5.935 1.00 15.35 C ATOM 479 CG ASP A 28 -7.699 6.723 -6.092 1.00 22.33 C ATOM 480 OD1 ASP A 28 -7.306 5.536 -6.120 1.00 41.52 O ATOM 481 OD2 ASP A 28 -8.911 7.012 -6.203 1.00 12.22 O ATOM 0 H ASP A 28 -5.159 6.079 -6.758 1.00 22.24 H new ATOM 0 HA ASP A 28 -6.366 8.271 -8.064 1.00 64.33 H new ATOM 0 HB2 ASP A 28 -6.023 7.633 -5.074 1.00 15.35 H new ATOM 0 HB3 ASP A 28 -7.172 8.786 -5.722 1.00 15.35 H new ATOM 486 N VAL A 29 -3.568 8.922 -6.511 1.00 64.40 N ATOM 487 CA VAL A 29 -2.552 9.887 -6.057 1.00 44.31 C ATOM 488 C VAL A 29 -1.335 9.921 -7.013 1.00 64.42 C ATOM 489 O VAL A 29 -0.864 8.879 -7.469 1.00 63.14 O ATOM 490 CB VAL A 29 -2.091 9.483 -4.600 1.00 61.42 C ATOM 491 CG1 VAL A 29 -0.879 10.301 -4.108 1.00 51.43 C ATOM 492 CG2 VAL A 29 -3.276 9.576 -3.600 1.00 72.54 C ATOM 0 H VAL A 29 -3.249 7.955 -6.447 1.00 64.40 H new ATOM 0 HA VAL A 29 -2.988 10.886 -6.052 1.00 44.31 H new ATOM 0 HB VAL A 29 -1.761 8.445 -4.650 1.00 61.42 H new ATOM 0 HG11 VAL A 29 -0.607 9.980 -3.102 1.00 51.43 H new ATOM 0 HG12 VAL A 29 -0.036 10.142 -4.780 1.00 51.43 H new ATOM 0 HG13 VAL A 29 -1.136 11.360 -4.094 1.00 51.43 H new ATOM 0 HG21 VAL A 29 -2.935 9.293 -2.604 1.00 72.54 H new ATOM 0 HG22 VAL A 29 -3.654 10.598 -3.578 1.00 72.54 H new ATOM 0 HG23 VAL A 29 -4.072 8.902 -3.916 1.00 72.54 H new ATOM 502 N ASN A 30 -0.844 11.140 -7.305 1.00 72.01 N ATOM 503 CA ASN A 30 0.428 11.387 -8.038 1.00 41.52 C ATOM 504 C ASN A 30 1.252 12.491 -7.336 1.00 31.33 C ATOM 505 O ASN A 30 2.283 12.930 -7.852 1.00 62.13 O ATOM 506 CB ASN A 30 0.153 11.776 -9.525 1.00 35.13 C ATOM 507 CG ASN A 30 -0.350 10.631 -10.419 1.00 1.35 C ATOM 508 OD1 ASN A 30 -1.125 10.859 -11.349 1.00 23.55 O ATOM 509 ND2 ASN A 30 0.114 9.401 -10.181 1.00 12.45 N ATOM 0 H ASN A 30 -1.322 12.000 -7.037 1.00 72.01 H new ATOM 0 HA ASN A 30 1.005 10.462 -8.031 1.00 41.52 H new ATOM 0 HB2 ASN A 30 -0.583 12.580 -9.543 1.00 35.13 H new ATOM 0 HB3 ASN A 30 1.072 12.175 -9.955 1.00 35.13 H new ATOM 0 HD21 ASN A 30 -0.173 8.624 -10.776 1.00 12.45 H new ATOM 0 HD22 ASN A 30 0.755 9.239 -9.404 1.00 12.45 H new ATOM 516 N SER A 31 0.808 12.901 -6.137 1.00 3.01 N ATOM 517 CA SER A 31 1.395 14.029 -5.386 1.00 2.43 C ATOM 518 C SER A 31 1.823 13.579 -3.982 1.00 22.53 C ATOM 519 O SER A 31 1.171 12.720 -3.384 1.00 14.14 O ATOM 520 CB SER A 31 0.359 15.166 -5.294 1.00 62.43 C ATOM 521 OG SER A 31 -0.175 15.473 -6.573 1.00 33.32 O ATOM 0 H SER A 31 0.026 12.457 -5.656 1.00 3.01 H new ATOM 0 HA SER A 31 2.282 14.387 -5.908 1.00 2.43 H new ATOM 0 HB2 SER A 31 -0.447 14.875 -4.620 1.00 62.43 H new ATOM 0 HB3 SER A 31 0.826 16.054 -4.868 1.00 62.43 H new ATOM 0 HG SER A 31 -0.831 16.196 -6.489 1.00 33.32 H new ATOM 527 N ARG A 32 2.905 14.189 -3.462 1.00 41.42 N ATOM 528 CA ARG A 32 3.483 13.850 -2.147 1.00 12.11 C ATOM 529 C ARG A 32 2.528 14.248 -0.997 1.00 75.33 C ATOM 530 O ARG A 32 2.480 13.555 0.011 1.00 50.32 O ATOM 531 CB ARG A 32 4.865 14.541 -1.978 1.00 2.24 C ATOM 532 CG ARG A 32 5.676 14.106 -0.726 1.00 21.24 C ATOM 533 CD ARG A 32 6.967 14.935 -0.546 1.00 4.13 C ATOM 534 NE ARG A 32 7.719 14.566 0.670 1.00 40.53 N ATOM 535 CZ ARG A 32 8.708 15.297 1.228 1.00 44.45 C ATOM 536 NH1 ARG A 32 9.091 16.456 0.703 1.00 54.35 N ATOM 537 NH2 ARG A 32 9.326 14.856 2.309 1.00 72.21 N ATOM 0 H ARG A 32 3.406 14.935 -3.945 1.00 41.42 H new ATOM 0 HA ARG A 32 3.622 12.770 -2.102 1.00 12.11 H new ATOM 0 HB2 ARG A 32 5.464 14.341 -2.866 1.00 2.24 H new ATOM 0 HB3 ARG A 32 4.711 15.619 -1.934 1.00 2.24 H new ATOM 0 HG2 ARG A 32 5.053 14.211 0.162 1.00 21.24 H new ATOM 0 HG3 ARG A 32 5.934 13.050 -0.812 1.00 21.24 H new ATOM 0 HD2 ARG A 32 7.606 14.798 -1.418 1.00 4.13 H new ATOM 0 HD3 ARG A 32 6.710 15.993 -0.502 1.00 4.13 H new ATOM 0 HE ARG A 32 7.471 13.688 1.126 1.00 40.53 H new ATOM 0 HH11 ARG A 32 8.636 16.810 -0.138 1.00 54.35 H new ATOM 0 HH12 ARG A 32 9.840 16.992 1.141 1.00 54.35 H new ATOM 0 HH21 ARG A 32 9.056 13.963 2.722 1.00 72.21 H new ATOM 0 HH22 ARG A 32 10.073 15.408 2.730 1.00 72.21 H new ATOM 551 N GLU A 33 1.771 15.368 -1.173 1.00 5.02 N ATOM 552 CA GLU A 33 0.746 15.831 -0.193 1.00 53.51 C ATOM 553 C GLU A 33 -0.427 14.840 -0.133 1.00 22.41 C ATOM 554 O GLU A 33 -0.912 14.489 0.950 1.00 45.33 O ATOM 555 CB GLU A 33 0.201 17.242 -0.560 1.00 10.44 C ATOM 556 CG GLU A 33 1.251 18.367 -0.555 1.00 13.41 C ATOM 557 CD GLU A 33 0.643 19.742 -0.877 1.00 14.51 C ATOM 558 OE1 GLU A 33 0.272 19.972 -2.046 1.00 62.14 O ATOM 559 OE2 GLU A 33 0.524 20.595 0.028 1.00 42.24 O ATOM 0 H GLU A 33 1.853 15.971 -1.992 1.00 5.02 H new ATOM 0 HA GLU A 33 1.232 15.887 0.781 1.00 53.51 H new ATOM 0 HB2 GLU A 33 -0.253 17.193 -1.550 1.00 10.44 H new ATOM 0 HB3 GLU A 33 -0.592 17.502 0.141 1.00 10.44 H new ATOM 0 HG2 GLU A 33 1.732 18.406 0.422 1.00 13.41 H new ATOM 0 HG3 GLU A 33 2.028 18.137 -1.284 1.00 13.41 H new ATOM 566 N GLU A 34 -0.850 14.383 -1.323 1.00 23.44 N ATOM 567 CA GLU A 34 -1.968 13.442 -1.471 1.00 42.32 C ATOM 568 C GLU A 34 -1.564 12.030 -1.010 1.00 62.42 C ATOM 569 O GLU A 34 -2.422 11.220 -0.674 1.00 5.14 O ATOM 570 CB GLU A 34 -2.479 13.437 -2.936 1.00 21.23 C ATOM 571 CG GLU A 34 -2.884 14.825 -3.481 1.00 50.44 C ATOM 572 CD GLU A 34 -3.901 15.564 -2.594 1.00 72.31 C ATOM 573 OE1 GLU A 34 -5.094 15.175 -2.578 1.00 42.33 O ATOM 574 OE2 GLU A 34 -3.511 16.522 -1.886 1.00 15.24 O ATOM 0 H GLU A 34 -0.425 14.657 -2.209 1.00 23.44 H new ATOM 0 HA GLU A 34 -2.786 13.772 -0.830 1.00 42.32 H new ATOM 0 HB2 GLU A 34 -1.701 13.023 -3.577 1.00 21.23 H new ATOM 0 HB3 GLU A 34 -3.338 12.769 -3.005 1.00 21.23 H new ATOM 0 HG2 GLU A 34 -1.990 15.440 -3.584 1.00 50.44 H new ATOM 0 HG3 GLU A 34 -3.305 14.705 -4.479 1.00 50.44 H new ATOM 581 N ALA A 35 -0.250 11.758 -1.021 1.00 63.04 N ATOM 582 CA ALA A 35 0.330 10.528 -0.462 1.00 70.12 C ATOM 583 C ALA A 35 0.499 10.666 1.064 1.00 71.35 C ATOM 584 O ALA A 35 0.361 9.689 1.807 1.00 63.14 O ATOM 585 CB ALA A 35 1.676 10.227 -1.150 1.00 44.52 C ATOM 0 H ALA A 35 0.444 12.390 -1.421 1.00 63.04 H new ATOM 0 HA ALA A 35 -0.343 9.692 -0.649 1.00 70.12 H new ATOM 0 HB1 ALA A 35 2.102 9.315 -0.732 1.00 44.52 H new ATOM 0 HB2 ALA A 35 1.516 10.096 -2.220 1.00 44.52 H new ATOM 0 HB3 ALA A 35 2.363 11.057 -0.984 1.00 44.52 H new ATOM 591 N SER A 36 0.775 11.903 1.521 1.00 54.20 N ATOM 592 CA SER A 36 1.052 12.207 2.941 1.00 25.25 C ATOM 593 C SER A 36 -0.241 12.203 3.779 1.00 71.11 C ATOM 594 O SER A 36 -0.196 11.973 4.986 1.00 43.24 O ATOM 595 CB SER A 36 1.785 13.565 3.072 1.00 51.24 C ATOM 596 OG SER A 36 2.130 13.847 4.419 1.00 62.23 O ATOM 0 H SER A 36 0.813 12.723 0.915 1.00 54.20 H new ATOM 0 HA SER A 36 1.701 11.423 3.331 1.00 25.25 H new ATOM 0 HB2 SER A 36 2.687 13.552 2.460 1.00 51.24 H new ATOM 0 HB3 SER A 36 1.149 14.361 2.685 1.00 51.24 H new ATOM 0 HG SER A 36 2.592 14.710 4.465 1.00 62.23 H new ATOM 602 N LYS A 37 -1.400 12.443 3.134 1.00 10.13 N ATOM 603 CA LYS A 37 -2.712 12.365 3.822 1.00 70.33 C ATOM 604 C LYS A 37 -3.202 10.908 3.925 1.00 32.21 C ATOM 605 O LYS A 37 -4.266 10.646 4.501 1.00 41.10 O ATOM 606 CB LYS A 37 -3.772 13.251 3.111 1.00 34.22 C ATOM 607 CG LYS A 37 -4.133 12.817 1.671 1.00 11.44 C ATOM 608 CD LYS A 37 -5.154 13.764 0.991 1.00 71.42 C ATOM 609 CE LYS A 37 -4.686 15.225 0.961 1.00 31.21 C ATOM 610 NZ LYS A 37 -5.652 16.103 0.238 1.00 24.25 N ATOM 0 H LYS A 37 -1.459 12.691 2.146 1.00 10.13 H new ATOM 0 HA LYS A 37 -2.575 12.747 4.834 1.00 70.33 H new ATOM 0 HB2 LYS A 37 -4.682 13.254 3.711 1.00 34.22 H new ATOM 0 HB3 LYS A 37 -3.405 14.277 3.083 1.00 34.22 H new ATOM 0 HG2 LYS A 37 -3.224 12.780 1.070 1.00 11.44 H new ATOM 0 HG3 LYS A 37 -4.542 11.807 1.694 1.00 11.44 H new ATOM 0 HD2 LYS A 37 -5.333 13.424 -0.029 1.00 71.42 H new ATOM 0 HD3 LYS A 37 -6.106 13.703 1.519 1.00 71.42 H new ATOM 0 HE2 LYS A 37 -4.560 15.587 1.981 1.00 31.21 H new ATOM 0 HE3 LYS A 37 -3.710 15.284 0.479 1.00 31.21 H new ATOM 0 HZ1 LYS A 37 -5.326 17.089 0.283 1.00 24.25 H new ATOM 0 HZ2 LYS A 37 -5.715 15.805 -0.756 1.00 24.25 H new ATOM 0 HZ3 LYS A 37 -6.589 16.028 0.682 1.00 24.25 H new ATOM 624 N LEU A 38 -2.415 9.970 3.351 1.00 2.33 N ATOM 625 CA LEU A 38 -2.683 8.528 3.438 1.00 10.42 C ATOM 626 C LEU A 38 -2.024 7.913 4.690 1.00 61.42 C ATOM 627 O LEU A 38 -2.336 6.771 5.041 1.00 1.13 O ATOM 628 CB LEU A 38 -2.185 7.797 2.158 1.00 24.22 C ATOM 629 CG LEU A 38 -2.708 8.335 0.786 1.00 72.03 C ATOM 630 CD1 LEU A 38 -2.212 7.466 -0.392 1.00 65.24 C ATOM 631 CD2 LEU A 38 -4.240 8.475 0.766 1.00 4.41 C ATOM 0 H LEU A 38 -1.577 10.198 2.816 1.00 2.33 H new ATOM 0 HA LEU A 38 -3.762 8.397 3.520 1.00 10.42 H new ATOM 0 HB2 LEU A 38 -1.096 7.839 2.146 1.00 24.22 H new ATOM 0 HB3 LEU A 38 -2.463 6.746 2.238 1.00 24.22 H new ATOM 0 HG LEU A 38 -2.291 9.334 0.661 1.00 72.03 H new ATOM 0 HD11 LEU A 38 -2.595 7.870 -1.329 1.00 65.24 H new ATOM 0 HD12 LEU A 38 -1.122 7.470 -0.414 1.00 65.24 H new ATOM 0 HD13 LEU A 38 -2.568 6.444 -0.265 1.00 65.24 H new ATOM 0 HD21 LEU A 38 -4.558 8.852 -0.206 1.00 4.41 H new ATOM 0 HD22 LEU A 38 -4.697 7.502 0.945 1.00 4.41 H new ATOM 0 HD23 LEU A 38 -4.552 9.171 1.545 1.00 4.41 H new ATOM 643 N ILE A 39 -1.120 8.682 5.356 1.00 31.54 N ATOM 644 CA ILE A 39 -0.391 8.218 6.557 1.00 75.31 C ATOM 645 C ILE A 39 -1.374 7.999 7.724 1.00 14.50 C ATOM 646 O ILE A 39 -1.865 8.967 8.322 1.00 24.40 O ATOM 647 CB ILE A 39 0.749 9.223 7.006 1.00 63.11 C ATOM 648 CG1 ILE A 39 1.713 9.572 5.825 1.00 20.24 C ATOM 649 CG2 ILE A 39 1.550 8.663 8.213 1.00 21.00 C ATOM 650 CD1 ILE A 39 2.413 8.391 5.203 1.00 61.34 C ATOM 0 H ILE A 39 -0.881 9.633 5.074 1.00 31.54 H new ATOM 0 HA ILE A 39 0.089 7.277 6.290 1.00 75.31 H new ATOM 0 HB ILE A 39 0.256 10.144 7.318 1.00 63.11 H new ATOM 0 HG12 ILE A 39 1.143 10.086 5.051 1.00 20.24 H new ATOM 0 HG13 ILE A 39 2.466 10.273 6.186 1.00 20.24 H new ATOM 0 HG21 ILE A 39 2.325 9.375 8.497 1.00 21.00 H new ATOM 0 HG22 ILE A 39 0.876 8.504 9.055 1.00 21.00 H new ATOM 0 HG23 ILE A 39 2.012 7.716 7.935 1.00 21.00 H new ATOM 0 HD11 ILE A 39 3.058 8.735 4.394 1.00 61.34 H new ATOM 0 HD12 ILE A 39 3.015 7.886 5.958 1.00 61.34 H new ATOM 0 HD13 ILE A 39 1.672 7.697 4.806 1.00 61.34 H new ATOM 662 N GLY A 40 -1.670 6.725 8.011 1.00 3.31 N ATOM 663 CA GLY A 40 -2.585 6.345 9.090 1.00 23.23 C ATOM 664 C GLY A 40 -3.777 5.532 8.599 1.00 53.42 C ATOM 665 O GLY A 40 -4.559 5.059 9.413 1.00 63.42 O ATOM 0 H GLY A 40 -1.282 5.931 7.502 1.00 3.31 H new ATOM 0 HA2 GLY A 40 -2.039 5.766 9.835 1.00 23.23 H new ATOM 0 HA3 GLY A 40 -2.946 7.245 9.587 1.00 23.23 H new ATOM 669 N ARG A 41 -3.925 5.374 7.262 1.00 12.24 N ATOM 670 CA ARG A 41 -5.059 4.628 6.662 1.00 62.20 C ATOM 671 C ARG A 41 -4.777 3.117 6.629 1.00 73.54 C ATOM 672 O ARG A 41 -3.613 2.691 6.598 1.00 50.31 O ATOM 673 CB ARG A 41 -5.372 5.149 5.231 1.00 24.11 C ATOM 674 CG ARG A 41 -5.774 6.639 5.178 1.00 52.35 C ATOM 675 CD ARG A 41 -6.134 7.132 3.763 1.00 40.35 C ATOM 676 NE ARG A 41 -6.268 8.605 3.735 1.00 52.01 N ATOM 677 CZ ARG A 41 -6.959 9.326 2.829 1.00 75.43 C ATOM 678 NH1 ARG A 41 -7.628 8.733 1.845 1.00 15.32 N ATOM 679 NH2 ARG A 41 -6.950 10.650 2.913 1.00 32.23 N ATOM 0 H ARG A 41 -3.272 5.754 6.577 1.00 12.24 H new ATOM 0 HA ARG A 41 -5.933 4.798 7.291 1.00 62.20 H new ATOM 0 HB2 ARG A 41 -4.496 4.997 4.601 1.00 24.11 H new ATOM 0 HB3 ARG A 41 -6.178 4.551 4.806 1.00 24.11 H new ATOM 0 HG2 ARG A 41 -6.627 6.800 5.837 1.00 52.35 H new ATOM 0 HG3 ARG A 41 -4.953 7.242 5.566 1.00 52.35 H new ATOM 0 HD2 ARG A 41 -5.364 6.820 3.058 1.00 40.35 H new ATOM 0 HD3 ARG A 41 -7.068 6.672 3.440 1.00 40.35 H new ATOM 0 HE ARG A 41 -5.792 9.125 4.472 1.00 52.01 H new ATOM 0 HH11 ARG A 41 -7.624 7.716 1.766 1.00 15.32 H new ATOM 0 HH12 ARG A 41 -8.145 9.295 1.169 1.00 15.32 H new ATOM 0 HH21 ARG A 41 -6.425 11.110 3.656 1.00 32.23 H new ATOM 0 HH22 ARG A 41 -7.468 11.208 2.234 1.00 32.23 H new ATOM 693 N LEU A 42 -5.869 2.333 6.606 1.00 21.23 N ATOM 694 CA LEU A 42 -5.840 0.867 6.646 1.00 51.14 C ATOM 695 C LEU A 42 -5.851 0.302 5.216 1.00 60.02 C ATOM 696 O LEU A 42 -6.812 0.503 4.472 1.00 32.00 O ATOM 697 CB LEU A 42 -7.073 0.342 7.437 1.00 24.25 C ATOM 698 CG LEU A 42 -7.245 -1.215 7.505 1.00 22.13 C ATOM 699 CD1 LEU A 42 -6.029 -1.902 8.161 1.00 31.00 C ATOM 700 CD2 LEU A 42 -8.563 -1.597 8.214 1.00 65.41 C ATOM 0 H LEU A 42 -6.815 2.712 6.558 1.00 21.23 H new ATOM 0 HA LEU A 42 -4.928 0.539 7.146 1.00 51.14 H new ATOM 0 HB2 LEU A 42 -7.013 0.724 8.456 1.00 24.25 H new ATOM 0 HB3 LEU A 42 -7.972 0.766 6.990 1.00 24.25 H new ATOM 0 HG LEU A 42 -7.299 -1.581 6.480 1.00 22.13 H new ATOM 0 HD11 LEU A 42 -6.190 -2.980 8.188 1.00 31.00 H new ATOM 0 HD12 LEU A 42 -5.132 -1.684 7.582 1.00 31.00 H new ATOM 0 HD13 LEU A 42 -5.905 -1.529 9.177 1.00 31.00 H new ATOM 0 HD21 LEU A 42 -8.657 -2.682 8.247 1.00 65.41 H new ATOM 0 HD22 LEU A 42 -8.557 -1.202 9.230 1.00 65.41 H new ATOM 0 HD23 LEU A 42 -9.406 -1.177 7.666 1.00 65.41 H new ATOM 712 N VAL A 43 -4.779 -0.407 4.844 1.00 42.35 N ATOM 713 CA VAL A 43 -4.666 -1.059 3.530 1.00 50.24 C ATOM 714 C VAL A 43 -5.035 -2.544 3.665 1.00 51.51 C ATOM 715 O VAL A 43 -4.596 -3.214 4.604 1.00 52.23 O ATOM 716 CB VAL A 43 -3.219 -0.935 2.924 1.00 61.32 C ATOM 717 CG1 VAL A 43 -3.191 -1.445 1.465 1.00 13.33 C ATOM 718 CG2 VAL A 43 -2.702 0.515 3.022 1.00 24.34 C ATOM 0 H VAL A 43 -3.965 -0.546 5.443 1.00 42.35 H new ATOM 0 HA VAL A 43 -5.352 -0.552 2.851 1.00 50.24 H new ATOM 0 HB VAL A 43 -2.549 -1.564 3.510 1.00 61.32 H new ATOM 0 HG11 VAL A 43 -2.181 -1.350 1.066 1.00 13.33 H new ATOM 0 HG12 VAL A 43 -3.494 -2.492 1.440 1.00 13.33 H new ATOM 0 HG13 VAL A 43 -3.878 -0.853 0.860 1.00 13.33 H new ATOM 0 HG21 VAL A 43 -1.700 0.574 2.596 1.00 24.34 H new ATOM 0 HG22 VAL A 43 -3.370 1.177 2.471 1.00 24.34 H new ATOM 0 HG23 VAL A 43 -2.670 0.820 4.068 1.00 24.34 H new ATOM 728 N LEU A 44 -5.842 -3.035 2.719 1.00 73.34 N ATOM 729 CA LEU A 44 -6.322 -4.419 2.677 1.00 14.10 C ATOM 730 C LEU A 44 -5.807 -5.064 1.383 1.00 20.42 C ATOM 731 O LEU A 44 -6.277 -4.717 0.296 1.00 54.44 O ATOM 732 CB LEU A 44 -7.887 -4.440 2.707 1.00 11.31 C ATOM 733 CG LEU A 44 -8.571 -3.689 3.898 1.00 4.53 C ATOM 734 CD1 LEU A 44 -10.113 -3.722 3.779 1.00 61.40 C ATOM 735 CD2 LEU A 44 -8.101 -4.248 5.257 1.00 54.22 C ATOM 0 H LEU A 44 -6.187 -2.468 1.944 1.00 73.34 H new ATOM 0 HA LEU A 44 -5.956 -4.974 3.541 1.00 14.10 H new ATOM 0 HB2 LEU A 44 -8.252 -4.007 1.776 1.00 11.31 H new ATOM 0 HB3 LEU A 44 -8.214 -5.480 2.726 1.00 11.31 H new ATOM 0 HG LEU A 44 -8.262 -2.645 3.846 1.00 4.53 H new ATOM 0 HD11 LEU A 44 -10.554 -3.191 4.623 1.00 61.40 H new ATOM 0 HD12 LEU A 44 -10.417 -3.241 2.849 1.00 61.40 H new ATOM 0 HD13 LEU A 44 -10.456 -4.757 3.782 1.00 61.40 H new ATOM 0 HD21 LEU A 44 -8.594 -3.706 6.064 1.00 54.22 H new ATOM 0 HD22 LEU A 44 -8.355 -5.306 5.323 1.00 54.22 H new ATOM 0 HD23 LEU A 44 -7.021 -4.128 5.346 1.00 54.22 H new ATOM 747 N TRP A 45 -4.794 -5.934 1.492 1.00 24.42 N ATOM 748 CA TRP A 45 -4.326 -6.751 0.361 1.00 24.21 C ATOM 749 C TRP A 45 -4.701 -8.211 0.624 1.00 52.11 C ATOM 750 O TRP A 45 -4.385 -8.749 1.682 1.00 53.40 O ATOM 751 CB TRP A 45 -2.794 -6.635 0.145 1.00 2.23 C ATOM 752 CG TRP A 45 -2.307 -7.488 -1.021 1.00 3.22 C ATOM 753 CD1 TRP A 45 -2.581 -7.298 -2.346 1.00 44.43 C ATOM 754 CD2 TRP A 45 -1.498 -8.669 -0.959 1.00 21.02 C ATOM 755 NE1 TRP A 45 -1.996 -8.277 -3.099 1.00 1.01 N ATOM 756 CE2 TRP A 45 -1.326 -9.129 -2.273 1.00 21.00 C ATOM 757 CE3 TRP A 45 -0.907 -9.379 0.084 1.00 22.10 C ATOM 758 CZ2 TRP A 45 -0.584 -10.267 -2.571 1.00 32.12 C ATOM 759 CZ3 TRP A 45 -0.169 -10.508 -0.213 1.00 30.42 C ATOM 760 CH2 TRP A 45 -0.013 -10.943 -1.533 1.00 42.15 C ATOM 0 H TRP A 45 -4.279 -6.092 2.358 1.00 24.42 H new ATOM 0 HA TRP A 45 -4.806 -6.384 -0.546 1.00 24.21 H new ATOM 0 HB2 TRP A 45 -2.533 -5.592 -0.037 1.00 2.23 H new ATOM 0 HB3 TRP A 45 -2.277 -6.939 1.055 1.00 2.23 H new ATOM 0 HD1 TRP A 45 -3.176 -6.488 -2.742 1.00 44.43 H new ATOM 0 HE1 TRP A 45 -2.052 -8.357 -4.114 1.00 1.01 H new ATOM 0 HE3 TRP A 45 -1.024 -9.052 1.107 1.00 22.10 H new ATOM 0 HZ2 TRP A 45 -0.464 -10.604 -3.590 1.00 32.12 H new ATOM 0 HZ3 TRP A 45 0.296 -11.064 0.588 1.00 30.42 H new ATOM 0 HH2 TRP A 45 0.570 -11.830 -1.734 1.00 42.15 H new ATOM 771 N LYS A 46 -5.353 -8.837 -0.352 1.00 21.24 N ATOM 772 CA LYS A 46 -5.781 -10.232 -0.268 1.00 41.53 C ATOM 773 C LYS A 46 -4.749 -11.110 -1.003 1.00 40.01 C ATOM 774 O LYS A 46 -4.516 -10.933 -2.210 1.00 30.55 O ATOM 775 CB LYS A 46 -7.195 -10.367 -0.881 1.00 64.24 C ATOM 776 CG LYS A 46 -7.863 -11.747 -0.668 1.00 33.41 C ATOM 777 CD LYS A 46 -9.268 -11.831 -1.321 1.00 44.23 C ATOM 778 CE LYS A 46 -10.265 -10.806 -0.749 1.00 62.44 C ATOM 779 NZ LYS A 46 -11.563 -10.811 -1.483 1.00 1.03 N ATOM 0 H LYS A 46 -5.602 -8.386 -1.233 1.00 21.24 H new ATOM 0 HA LYS A 46 -5.835 -10.564 0.769 1.00 41.53 H new ATOM 0 HB2 LYS A 46 -7.837 -9.598 -0.452 1.00 64.24 H new ATOM 0 HB3 LYS A 46 -7.133 -10.170 -1.951 1.00 64.24 H new ATOM 0 HG2 LYS A 46 -7.224 -12.525 -1.086 1.00 33.41 H new ATOM 0 HG3 LYS A 46 -7.949 -11.945 0.400 1.00 33.41 H new ATOM 0 HD2 LYS A 46 -9.172 -11.674 -2.395 1.00 44.23 H new ATOM 0 HD3 LYS A 46 -9.668 -12.835 -1.180 1.00 44.23 H new ATOM 0 HE2 LYS A 46 -10.444 -11.025 0.304 1.00 62.44 H new ATOM 0 HE3 LYS A 46 -9.826 -9.809 -0.797 1.00 62.44 H new ATOM 0 HZ1 LYS A 46 -12.202 -10.106 -1.063 1.00 1.03 H new ATOM 0 HZ2 LYS A 46 -11.397 -10.577 -2.483 1.00 1.03 H new ATOM 0 HZ3 LYS A 46 -11.996 -11.754 -1.416 1.00 1.03 H new ATOM 793 N SER A 47 -4.105 -12.010 -0.244 1.00 54.25 N ATOM 794 CA SER A 47 -3.089 -12.944 -0.757 1.00 32.04 C ATOM 795 C SER A 47 -3.741 -14.094 -1.574 1.00 42.31 C ATOM 796 O SER A 47 -4.950 -14.333 -1.446 1.00 64.24 O ATOM 797 CB SER A 47 -2.275 -13.520 0.439 1.00 74.54 C ATOM 798 OG SER A 47 -3.097 -14.261 1.329 1.00 21.51 O ATOM 0 H SER A 47 -4.277 -12.111 0.756 1.00 54.25 H new ATOM 0 HA SER A 47 -2.422 -12.403 -1.429 1.00 32.04 H new ATOM 0 HB2 SER A 47 -1.478 -14.161 0.061 1.00 74.54 H new ATOM 0 HB3 SER A 47 -1.797 -12.703 0.980 1.00 74.54 H new ATOM 0 HG SER A 47 -3.658 -13.645 1.845 1.00 21.51 H new ATOM 804 N PRO A 48 -2.946 -14.840 -2.426 1.00 52.24 N ATOM 805 CA PRO A 48 -3.430 -16.079 -3.118 1.00 23.12 C ATOM 806 C PRO A 48 -3.756 -17.224 -2.124 1.00 60.41 C ATOM 807 O PRO A 48 -4.393 -18.218 -2.494 1.00 24.34 O ATOM 808 CB PRO A 48 -2.238 -16.449 -4.041 1.00 43.43 C ATOM 809 CG PRO A 48 -1.043 -15.852 -3.360 1.00 65.13 C ATOM 810 CD PRO A 48 -1.536 -14.530 -2.815 1.00 75.24 C ATOM 0 HA PRO A 48 -4.364 -15.920 -3.657 1.00 23.12 H new ATOM 0 HB2 PRO A 48 -2.137 -17.529 -4.147 1.00 43.43 H new ATOM 0 HB3 PRO A 48 -2.370 -16.041 -5.043 1.00 43.43 H new ATOM 0 HG2 PRO A 48 -0.677 -16.498 -2.562 1.00 65.13 H new ATOM 0 HG3 PRO A 48 -0.218 -15.710 -4.058 1.00 65.13 H new ATOM 0 HD2 PRO A 48 -0.944 -14.198 -1.962 1.00 75.24 H new ATOM 0 HD3 PRO A 48 -1.487 -13.740 -3.564 1.00 75.24 H new ATOM 818 N SER A 49 -3.281 -17.060 -0.872 1.00 24.15 N ATOM 819 CA SER A 49 -3.563 -17.962 0.256 1.00 44.43 C ATOM 820 C SER A 49 -5.017 -17.802 0.775 1.00 22.14 C ATOM 821 O SER A 49 -5.539 -18.692 1.466 1.00 53.41 O ATOM 822 CB SER A 49 -2.559 -17.663 1.397 1.00 43.21 C ATOM 823 OG SER A 49 -1.214 -17.719 0.936 1.00 43.11 O ATOM 0 H SER A 49 -2.678 -16.279 -0.615 1.00 24.15 H new ATOM 0 HA SER A 49 -3.453 -18.990 -0.088 1.00 44.43 H new ATOM 0 HB2 SER A 49 -2.762 -16.676 1.812 1.00 43.21 H new ATOM 0 HB3 SER A 49 -2.699 -18.383 2.204 1.00 43.21 H new ATOM 0 HG SER A 49 -0.605 -17.524 1.679 1.00 43.11 H new ATOM 829 N GLY A 50 -5.650 -16.650 0.440 1.00 60.12 N ATOM 830 CA GLY A 50 -7.004 -16.303 0.905 1.00 70.20 C ATOM 831 C GLY A 50 -6.992 -15.429 2.154 1.00 0.02 C ATOM 832 O GLY A 50 -8.050 -15.142 2.725 1.00 20.13 O ATOM 0 H GLY A 50 -5.231 -15.940 -0.160 1.00 60.12 H new ATOM 0 HA2 GLY A 50 -7.535 -15.783 0.108 1.00 70.20 H new ATOM 0 HA3 GLY A 50 -7.558 -17.218 1.113 1.00 70.20 H new ATOM 836 N LYS A 51 -5.783 -15.013 2.580 1.00 32.22 N ATOM 837 CA LYS A 51 -5.575 -14.191 3.784 1.00 22.41 C ATOM 838 C LYS A 51 -5.528 -12.708 3.399 1.00 32.20 C ATOM 839 O LYS A 51 -4.639 -12.285 2.650 1.00 34.15 O ATOM 840 CB LYS A 51 -4.246 -14.592 4.516 1.00 40.03 C ATOM 841 CG LYS A 51 -4.334 -15.832 5.434 1.00 62.42 C ATOM 842 CD LYS A 51 -4.599 -17.162 4.693 1.00 44.33 C ATOM 843 CE LYS A 51 -4.720 -18.349 5.663 1.00 53.42 C ATOM 844 NZ LYS A 51 -4.955 -19.632 4.948 1.00 33.31 N ATOM 0 H LYS A 51 -4.917 -15.241 2.092 1.00 32.22 H new ATOM 0 HA LYS A 51 -6.408 -14.365 4.465 1.00 22.41 H new ATOM 0 HB2 LYS A 51 -3.479 -14.774 3.763 1.00 40.03 H new ATOM 0 HB3 LYS A 51 -3.912 -13.744 5.113 1.00 40.03 H new ATOM 0 HG2 LYS A 51 -3.402 -15.922 5.992 1.00 62.42 H new ATOM 0 HG3 LYS A 51 -5.128 -15.673 6.163 1.00 62.42 H new ATOM 0 HD2 LYS A 51 -5.516 -17.076 4.110 1.00 44.33 H new ATOM 0 HD3 LYS A 51 -3.790 -17.351 3.988 1.00 44.33 H new ATOM 0 HE2 LYS A 51 -3.809 -18.426 6.256 1.00 53.42 H new ATOM 0 HE3 LYS A 51 -5.539 -18.167 6.359 1.00 53.42 H new ATOM 0 HZ1 LYS A 51 -5.030 -20.406 5.639 1.00 33.31 H new ATOM 0 HZ2 LYS A 51 -5.838 -19.568 4.402 1.00 33.31 H new ATOM 0 HZ3 LYS A 51 -4.161 -19.820 4.303 1.00 33.31 H new ATOM 858 N ILE A 52 -6.476 -11.925 3.930 1.00 14.11 N ATOM 859 CA ILE A 52 -6.471 -10.468 3.781 1.00 0.22 C ATOM 860 C ILE A 52 -5.455 -9.889 4.787 1.00 54.42 C ATOM 861 O ILE A 52 -5.744 -9.766 5.986 1.00 72.23 O ATOM 862 CB ILE A 52 -7.907 -9.844 3.988 1.00 44.44 C ATOM 863 CG1 ILE A 52 -8.941 -10.526 3.027 1.00 4.12 C ATOM 864 CG2 ILE A 52 -7.886 -8.299 3.788 1.00 72.14 C ATOM 865 CD1 ILE A 52 -10.385 -10.079 3.201 1.00 63.21 C ATOM 0 H ILE A 52 -7.263 -12.283 4.472 1.00 14.11 H new ATOM 0 HA ILE A 52 -6.179 -10.210 2.763 1.00 0.22 H new ATOM 0 HB ILE A 52 -8.217 -10.034 5.016 1.00 44.44 H new ATOM 0 HG12 ILE A 52 -8.639 -10.331 1.998 1.00 4.12 H new ATOM 0 HG13 ILE A 52 -8.892 -11.605 3.174 1.00 4.12 H new ATOM 0 HG21 ILE A 52 -8.889 -7.899 3.937 1.00 72.14 H new ATOM 0 HG22 ILE A 52 -7.205 -7.848 4.509 1.00 72.14 H new ATOM 0 HG23 ILE A 52 -7.550 -8.067 2.777 1.00 72.14 H new ATOM 0 HD11 ILE A 52 -11.018 -10.610 2.490 1.00 63.21 H new ATOM 0 HD12 ILE A 52 -10.715 -10.300 4.216 1.00 63.21 H new ATOM 0 HD13 ILE A 52 -10.458 -9.006 3.022 1.00 63.21 H new ATOM 877 N LEU A 53 -4.239 -9.620 4.287 1.00 51.43 N ATOM 878 CA LEU A 53 -3.179 -8.988 5.065 1.00 61.02 C ATOM 879 C LEU A 53 -3.533 -7.508 5.230 1.00 73.44 C ATOM 880 O LEU A 53 -3.779 -6.815 4.234 1.00 35.54 O ATOM 881 CB LEU A 53 -1.795 -9.146 4.359 1.00 30.04 C ATOM 882 CG LEU A 53 -1.343 -10.600 3.992 1.00 1.33 C ATOM 883 CD1 LEU A 53 0.098 -10.612 3.429 1.00 71.23 C ATOM 884 CD2 LEU A 53 -1.480 -11.567 5.187 1.00 1.45 C ATOM 0 H LEU A 53 -3.969 -9.838 3.328 1.00 51.43 H new ATOM 0 HA LEU A 53 -3.099 -9.469 6.040 1.00 61.02 H new ATOM 0 HB2 LEU A 53 -1.813 -8.556 3.443 1.00 30.04 H new ATOM 0 HB3 LEU A 53 -1.034 -8.708 5.005 1.00 30.04 H new ATOM 0 HG LEU A 53 -2.014 -10.956 3.211 1.00 1.33 H new ATOM 0 HD11 LEU A 53 0.384 -11.635 3.183 1.00 71.23 H new ATOM 0 HD12 LEU A 53 0.143 -9.997 2.530 1.00 71.23 H new ATOM 0 HD13 LEU A 53 0.784 -10.213 4.176 1.00 71.23 H new ATOM 0 HD21 LEU A 53 -1.156 -12.564 4.888 1.00 1.45 H new ATOM 0 HD22 LEU A 53 -0.860 -11.216 6.012 1.00 1.45 H new ATOM 0 HD23 LEU A 53 -2.521 -11.605 5.507 1.00 1.45 H new ATOM 896 N LYS A 54 -3.617 -7.043 6.478 1.00 10.44 N ATOM 897 CA LYS A 54 -3.951 -5.647 6.786 1.00 40.12 C ATOM 898 C LYS A 54 -2.680 -4.903 7.208 1.00 34.12 C ATOM 899 O LYS A 54 -1.837 -5.460 7.921 1.00 2.21 O ATOM 900 CB LYS A 54 -5.026 -5.569 7.898 1.00 0.34 C ATOM 901 CG LYS A 54 -6.296 -6.417 7.619 1.00 71.14 C ATOM 902 CD LYS A 54 -7.486 -6.075 8.555 1.00 72.05 C ATOM 903 CE LYS A 54 -7.138 -6.147 10.053 1.00 14.33 C ATOM 904 NZ LYS A 54 -6.624 -7.482 10.443 1.00 63.02 N ATOM 0 H LYS A 54 -3.456 -7.620 7.303 1.00 10.44 H new ATOM 0 HA LYS A 54 -4.364 -5.175 5.894 1.00 40.12 H new ATOM 0 HB2 LYS A 54 -4.584 -5.897 8.839 1.00 0.34 H new ATOM 0 HB3 LYS A 54 -5.320 -4.528 8.030 1.00 0.34 H new ATOM 0 HG2 LYS A 54 -6.603 -6.267 6.584 1.00 71.14 H new ATOM 0 HG3 LYS A 54 -6.050 -7.473 7.729 1.00 71.14 H new ATOM 0 HD2 LYS A 54 -7.843 -5.072 8.322 1.00 72.05 H new ATOM 0 HD3 LYS A 54 -8.307 -6.761 8.349 1.00 72.05 H new ATOM 0 HE2 LYS A 54 -6.391 -5.389 10.288 1.00 14.33 H new ATOM 0 HE3 LYS A 54 -8.025 -5.914 10.642 1.00 14.33 H new ATOM 0 HZ1 LYS A 54 -6.721 -7.605 11.471 1.00 63.02 H new ATOM 0 HZ2 LYS A 54 -7.169 -8.220 9.953 1.00 63.02 H new ATOM 0 HZ3 LYS A 54 -5.621 -7.559 10.179 1.00 63.02 H new ATOM 918 N GLY A 55 -2.553 -3.646 6.759 1.00 34.45 N ATOM 919 CA GLY A 55 -1.381 -2.818 7.044 1.00 74.52 C ATOM 920 C GLY A 55 -1.743 -1.362 7.222 1.00 44.44 C ATOM 921 O GLY A 55 -2.900 -0.978 7.030 1.00 75.33 O ATOM 0 H GLY A 55 -3.260 -3.179 6.190 1.00 34.45 H new ATOM 0 HA2 GLY A 55 -0.891 -3.182 7.947 1.00 74.52 H new ATOM 0 HA3 GLY A 55 -0.662 -2.916 6.230 1.00 74.52 H new ATOM 925 N LYS A 56 -0.754 -0.554 7.620 1.00 72.40 N ATOM 926 CA LYS A 56 -0.918 0.902 7.784 1.00 22.23 C ATOM 927 C LYS A 56 0.173 1.616 7.002 1.00 5.34 C ATOM 928 O LYS A 56 1.350 1.260 7.128 1.00 72.34 O ATOM 929 CB LYS A 56 -0.816 1.316 9.271 1.00 33.40 C ATOM 930 CG LYS A 56 -0.983 2.843 9.517 1.00 65.55 C ATOM 931 CD LYS A 56 -0.775 3.247 10.992 1.00 25.12 C ATOM 932 CE LYS A 56 -1.736 2.528 11.948 1.00 43.21 C ATOM 933 NZ LYS A 56 -1.508 2.922 13.364 1.00 64.53 N ATOM 0 H LYS A 56 0.185 -0.888 7.839 1.00 72.40 H new ATOM 0 HA LYS A 56 -1.905 1.178 7.414 1.00 22.23 H new ATOM 0 HB2 LYS A 56 -1.578 0.782 9.839 1.00 33.40 H new ATOM 0 HB3 LYS A 56 0.152 1.000 9.660 1.00 33.40 H new ATOM 0 HG2 LYS A 56 -0.271 3.385 8.895 1.00 65.55 H new ATOM 0 HG3 LYS A 56 -1.980 3.149 9.200 1.00 65.55 H new ATOM 0 HD2 LYS A 56 0.252 3.026 11.283 1.00 25.12 H new ATOM 0 HD3 LYS A 56 -0.910 4.324 11.091 1.00 25.12 H new ATOM 0 HE2 LYS A 56 -2.764 2.757 11.669 1.00 43.21 H new ATOM 0 HE3 LYS A 56 -1.610 1.450 11.846 1.00 43.21 H new ATOM 0 HZ1 LYS A 56 -2.177 2.414 13.978 1.00 64.53 H new ATOM 0 HZ2 LYS A 56 -0.534 2.681 13.639 1.00 64.53 H new ATOM 0 HZ3 LYS A 56 -1.653 3.947 13.467 1.00 64.53 H new ATOM 947 N ILE A 57 -0.225 2.626 6.209 1.00 25.34 N ATOM 948 CA ILE A 57 0.718 3.519 5.531 1.00 65.42 C ATOM 949 C ILE A 57 1.439 4.367 6.595 1.00 11.01 C ATOM 950 O ILE A 57 0.871 5.310 7.144 1.00 64.44 O ATOM 951 CB ILE A 57 -0.007 4.420 4.463 1.00 71.34 C ATOM 952 CG1 ILE A 57 -0.779 3.524 3.448 1.00 24.24 C ATOM 953 CG2 ILE A 57 1.002 5.345 3.736 1.00 4.12 C ATOM 954 CD1 ILE A 57 -1.593 4.272 2.415 1.00 44.42 C ATOM 0 H ILE A 57 -1.205 2.842 6.024 1.00 25.34 H new ATOM 0 HA ILE A 57 1.451 2.927 4.983 1.00 65.42 H new ATOM 0 HB ILE A 57 -0.724 5.060 4.977 1.00 71.34 H new ATOM 0 HG12 ILE A 57 -0.061 2.888 2.930 1.00 24.24 H new ATOM 0 HG13 ILE A 57 -1.445 2.865 4.004 1.00 24.24 H new ATOM 0 HG21 ILE A 57 0.474 5.956 3.004 1.00 4.12 H new ATOM 0 HG22 ILE A 57 1.491 5.993 4.463 1.00 4.12 H new ATOM 0 HG23 ILE A 57 1.752 4.738 3.228 1.00 4.12 H new ATOM 0 HD11 ILE A 57 -2.091 3.559 1.758 1.00 44.42 H new ATOM 0 HD12 ILE A 57 -2.341 4.886 2.916 1.00 44.42 H new ATOM 0 HD13 ILE A 57 -0.935 4.910 1.826 1.00 44.42 H new ATOM 966 N VAL A 58 2.665 3.945 6.927 1.00 41.42 N ATOM 967 CA VAL A 58 3.489 4.568 7.985 1.00 13.44 C ATOM 968 C VAL A 58 4.268 5.773 7.445 1.00 73.42 C ATOM 969 O VAL A 58 4.463 6.770 8.147 1.00 32.52 O ATOM 970 CB VAL A 58 4.483 3.522 8.622 1.00 41.12 C ATOM 971 CG1 VAL A 58 3.706 2.365 9.285 1.00 3.33 C ATOM 972 CG2 VAL A 58 5.508 2.989 7.582 1.00 52.41 C ATOM 0 H VAL A 58 3.122 3.156 6.469 1.00 41.42 H new ATOM 0 HA VAL A 58 2.809 4.917 8.762 1.00 13.44 H new ATOM 0 HB VAL A 58 5.053 4.038 9.395 1.00 41.12 H new ATOM 0 HG11 VAL A 58 4.410 1.655 9.718 1.00 3.33 H new ATOM 0 HG12 VAL A 58 3.062 2.762 10.070 1.00 3.33 H new ATOM 0 HG13 VAL A 58 3.096 1.860 8.536 1.00 3.33 H new ATOM 0 HG21 VAL A 58 6.174 2.271 8.062 1.00 52.41 H new ATOM 0 HG22 VAL A 58 4.977 2.501 6.765 1.00 52.41 H new ATOM 0 HG23 VAL A 58 6.093 3.820 7.189 1.00 52.41 H new ATOM 982 N ARG A 59 4.681 5.670 6.174 1.00 71.05 N ATOM 983 CA ARG A 59 5.548 6.648 5.524 1.00 13.10 C ATOM 984 C ARG A 59 5.300 6.599 4.008 1.00 70.23 C ATOM 985 O ARG A 59 4.800 5.600 3.482 1.00 3.21 O ATOM 986 CB ARG A 59 7.043 6.359 5.879 1.00 52.21 C ATOM 987 CG ARG A 59 8.062 7.406 5.365 1.00 41.44 C ATOM 988 CD ARG A 59 7.782 8.832 5.878 1.00 2.31 C ATOM 989 NE ARG A 59 8.727 9.818 5.320 1.00 44.41 N ATOM 990 CZ ARG A 59 9.504 10.647 6.035 1.00 11.11 C ATOM 991 NH1 ARG A 59 9.481 10.626 7.361 1.00 50.31 N ATOM 992 NH2 ARG A 59 10.306 11.492 5.414 1.00 45.54 N ATOM 0 H ARG A 59 4.416 4.895 5.566 1.00 71.05 H new ATOM 0 HA ARG A 59 5.320 7.653 5.880 1.00 13.10 H new ATOM 0 HB2 ARG A 59 7.135 6.290 6.963 1.00 52.21 H new ATOM 0 HB3 ARG A 59 7.313 5.384 5.473 1.00 52.21 H new ATOM 0 HG2 ARG A 59 9.065 7.108 5.671 1.00 41.44 H new ATOM 0 HG3 ARG A 59 8.049 7.410 4.275 1.00 41.44 H new ATOM 0 HD2 ARG A 59 6.763 9.118 5.615 1.00 2.31 H new ATOM 0 HD3 ARG A 59 7.846 8.845 6.966 1.00 2.31 H new ATOM 0 HE ARG A 59 8.796 9.875 4.304 1.00 44.41 H new ATOM 0 HH11 ARG A 59 8.868 9.974 7.850 1.00 50.31 H new ATOM 0 HH12 ARG A 59 10.077 11.262 7.892 1.00 50.31 H new ATOM 0 HH21 ARG A 59 10.334 11.513 4.395 1.00 45.54 H new ATOM 0 HH22 ARG A 59 10.898 12.124 5.954 1.00 45.54 H new ATOM 1006 N VAL A 60 5.626 7.698 3.322 1.00 24.52 N ATOM 1007 CA VAL A 60 5.496 7.816 1.861 1.00 74.52 C ATOM 1008 C VAL A 60 6.809 7.400 1.180 1.00 54.54 C ATOM 1009 O VAL A 60 7.839 7.201 1.840 1.00 21.31 O ATOM 1010 CB VAL A 60 5.115 9.295 1.455 1.00 72.33 C ATOM 1011 CG1 VAL A 60 3.731 9.669 2.015 1.00 32.34 C ATOM 1012 CG2 VAL A 60 6.183 10.311 1.931 1.00 21.11 C ATOM 0 H VAL A 60 5.991 8.540 3.766 1.00 24.52 H new ATOM 0 HA VAL A 60 4.699 7.151 1.528 1.00 74.52 H new ATOM 0 HB VAL A 60 5.078 9.338 0.366 1.00 72.33 H new ATOM 0 HG11 VAL A 60 3.485 10.691 1.726 1.00 32.34 H new ATOM 0 HG12 VAL A 60 2.980 8.988 1.614 1.00 32.34 H new ATOM 0 HG13 VAL A 60 3.746 9.594 3.102 1.00 32.34 H new ATOM 0 HG21 VAL A 60 5.886 11.317 1.634 1.00 21.11 H new ATOM 0 HG22 VAL A 60 6.271 10.265 3.016 1.00 21.11 H new ATOM 0 HG23 VAL A 60 7.144 10.067 1.478 1.00 21.11 H new ATOM 1022 N HIS A 61 6.741 7.243 -0.138 1.00 64.32 N ATOM 1023 CA HIS A 61 7.886 6.869 -0.984 1.00 23.34 C ATOM 1024 C HIS A 61 7.909 7.814 -2.195 1.00 1.02 C ATOM 1025 O HIS A 61 7.105 7.668 -3.117 1.00 25.14 O ATOM 1026 CB HIS A 61 7.755 5.381 -1.420 1.00 63.34 C ATOM 1027 CG HIS A 61 8.802 4.922 -2.402 1.00 15.41 C ATOM 1028 ND1 HIS A 61 10.114 4.695 -2.057 1.00 21.20 N ATOM 1029 CD2 HIS A 61 8.728 4.688 -3.735 1.00 73.33 C ATOM 1030 CE1 HIS A 61 10.792 4.339 -3.127 1.00 23.43 C ATOM 1031 NE2 HIS A 61 9.977 4.330 -4.153 1.00 51.43 N ATOM 0 H HIS A 61 5.877 7.373 -0.664 1.00 64.32 H new ATOM 0 HA HIS A 61 8.824 6.965 -0.437 1.00 23.34 H new ATOM 0 HB2 HIS A 61 7.806 4.750 -0.533 1.00 63.34 H new ATOM 0 HB3 HIS A 61 6.770 5.231 -1.862 1.00 63.34 H new ATOM 0 HD2 HIS A 61 7.845 4.770 -4.352 1.00 73.33 H new ATOM 0 HE1 HIS A 61 11.844 4.095 -3.155 1.00 23.43 H new ATOM 0 HE2 HIS A 61 10.235 4.093 -5.111 1.00 51.43 H new ATOM 1040 N GLY A 62 8.825 8.797 -2.168 1.00 3.24 N ATOM 1041 CA GLY A 62 8.944 9.784 -3.243 1.00 53.31 C ATOM 1042 C GLY A 62 7.748 10.736 -3.322 1.00 41.55 C ATOM 1043 O GLY A 62 6.958 10.852 -2.370 1.00 53.11 O ATOM 0 H GLY A 62 9.494 8.925 -1.409 1.00 3.24 H new ATOM 0 HA2 GLY A 62 9.854 10.365 -3.095 1.00 53.31 H new ATOM 0 HA3 GLY A 62 9.050 9.264 -4.195 1.00 53.31 H new ATOM 1047 N THR A 63 7.618 11.410 -4.471 1.00 12.12 N ATOM 1048 CA THR A 63 6.631 12.483 -4.679 1.00 64.33 C ATOM 1049 C THR A 63 5.522 12.070 -5.666 1.00 52.03 C ATOM 1050 O THR A 63 4.420 12.615 -5.614 1.00 1.44 O ATOM 1051 CB THR A 63 7.351 13.772 -5.201 1.00 42.23 C ATOM 1052 OG1 THR A 63 8.055 13.490 -6.426 1.00 33.30 O ATOM 1053 CG2 THR A 63 8.343 14.325 -4.162 1.00 51.10 C ATOM 0 H THR A 63 8.198 11.227 -5.290 1.00 12.12 H new ATOM 0 HA THR A 63 6.157 12.683 -3.718 1.00 64.33 H new ATOM 0 HB THR A 63 6.583 14.524 -5.381 1.00 42.23 H new ATOM 0 HG1 THR A 63 8.499 14.304 -6.743 1.00 33.30 H new ATOM 0 HG21 THR A 63 8.824 15.219 -4.558 1.00 51.10 H new ATOM 0 HG22 THR A 63 7.808 14.576 -3.246 1.00 51.10 H new ATOM 0 HG23 THR A 63 9.100 13.572 -3.945 1.00 51.10 H new ATOM 1061 N LYS A 64 5.811 11.095 -6.554 1.00 3.13 N ATOM 1062 CA LYS A 64 4.916 10.740 -7.686 1.00 63.22 C ATOM 1063 C LYS A 64 3.917 9.615 -7.330 1.00 42.42 C ATOM 1064 O LYS A 64 3.711 8.679 -8.119 1.00 44.22 O ATOM 1065 CB LYS A 64 5.781 10.385 -8.941 1.00 14.02 C ATOM 1066 CG LYS A 64 6.566 11.585 -9.528 1.00 2.40 C ATOM 1067 CD LYS A 64 5.631 12.767 -9.887 1.00 13.11 C ATOM 1068 CE LYS A 64 6.353 13.955 -10.545 1.00 41.43 C ATOM 1069 NZ LYS A 64 6.904 13.615 -11.883 1.00 4.20 N ATOM 0 H LYS A 64 6.662 10.534 -6.511 1.00 3.13 H new ATOM 0 HA LYS A 64 4.299 11.608 -7.917 1.00 63.22 H new ATOM 0 HB2 LYS A 64 6.487 9.599 -8.672 1.00 14.02 H new ATOM 0 HB3 LYS A 64 5.130 9.977 -9.714 1.00 14.02 H new ATOM 0 HG2 LYS A 64 7.312 11.918 -8.807 1.00 2.40 H new ATOM 0 HG3 LYS A 64 7.105 11.265 -10.420 1.00 2.40 H new ATOM 0 HD2 LYS A 64 4.852 12.410 -10.560 1.00 13.11 H new ATOM 0 HD3 LYS A 64 5.135 13.113 -8.980 1.00 13.11 H new ATOM 0 HE2 LYS A 64 5.658 14.789 -10.643 1.00 41.43 H new ATOM 0 HE3 LYS A 64 7.163 14.289 -9.896 1.00 41.43 H new ATOM 0 HZ1 LYS A 64 7.336 14.461 -12.306 1.00 4.20 H new ATOM 0 HZ2 LYS A 64 7.625 12.872 -11.783 1.00 4.20 H new ATOM 0 HZ3 LYS A 64 6.138 13.274 -12.498 1.00 4.20 H new ATOM 1083 N GLY A 65 3.273 9.754 -6.156 1.00 52.50 N ATOM 1084 CA GLY A 65 2.157 8.892 -5.754 1.00 24.10 C ATOM 1085 C GLY A 65 2.557 7.457 -5.464 1.00 53.14 C ATOM 1086 O GLY A 65 2.029 6.516 -6.073 1.00 62.40 O ATOM 0 H GLY A 65 3.514 10.465 -5.466 1.00 52.50 H new ATOM 0 HA2 GLY A 65 1.688 9.314 -4.865 1.00 24.10 H new ATOM 0 HA3 GLY A 65 1.406 8.896 -6.544 1.00 24.10 H new ATOM 1090 N ALA A 66 3.511 7.298 -4.549 1.00 53.15 N ATOM 1091 CA ALA A 66 3.886 5.995 -3.990 1.00 63.11 C ATOM 1092 C ALA A 66 3.957 6.130 -2.471 1.00 64.31 C ATOM 1093 O ALA A 66 4.373 7.174 -1.952 1.00 21.21 O ATOM 1094 CB ALA A 66 5.214 5.488 -4.579 1.00 63.13 C ATOM 0 H ALA A 66 4.052 8.075 -4.170 1.00 53.15 H new ATOM 0 HA ALA A 66 3.135 5.251 -4.255 1.00 63.11 H new ATOM 0 HB1 ALA A 66 5.460 4.520 -4.142 1.00 63.13 H new ATOM 0 HB2 ALA A 66 5.116 5.384 -5.660 1.00 63.13 H new ATOM 0 HB3 ALA A 66 6.008 6.200 -4.353 1.00 63.13 H new ATOM 1100 N VAL A 67 3.509 5.083 -1.773 1.00 12.43 N ATOM 1101 CA VAL A 67 3.477 5.023 -0.302 1.00 23.34 C ATOM 1102 C VAL A 67 4.102 3.706 0.181 1.00 13.33 C ATOM 1103 O VAL A 67 4.413 2.816 -0.622 1.00 61.31 O ATOM 1104 CB VAL A 67 2.010 5.167 0.265 1.00 24.21 C ATOM 1105 CG1 VAL A 67 1.432 6.578 0.004 1.00 32.02 C ATOM 1106 CG2 VAL A 67 1.073 4.061 -0.282 1.00 71.23 C ATOM 0 H VAL A 67 3.152 4.237 -2.218 1.00 12.43 H new ATOM 0 HA VAL A 67 4.057 5.865 0.076 1.00 23.34 H new ATOM 0 HB VAL A 67 2.071 5.036 1.345 1.00 24.21 H new ATOM 0 HG11 VAL A 67 0.422 6.638 0.409 1.00 32.02 H new ATOM 0 HG12 VAL A 67 2.062 7.324 0.488 1.00 32.02 H new ATOM 0 HG13 VAL A 67 1.405 6.767 -1.069 1.00 32.02 H new ATOM 0 HG21 VAL A 67 0.073 4.194 0.131 1.00 71.23 H new ATOM 0 HG22 VAL A 67 1.028 4.127 -1.369 1.00 71.23 H new ATOM 0 HG23 VAL A 67 1.458 3.083 0.007 1.00 71.23 H new ATOM 1116 N ARG A 68 4.283 3.610 1.504 1.00 11.43 N ATOM 1117 CA ARG A 68 4.901 2.458 2.171 1.00 61.50 C ATOM 1118 C ARG A 68 4.057 2.073 3.391 1.00 42.41 C ATOM 1119 O ARG A 68 4.008 2.808 4.387 1.00 41.25 O ATOM 1120 CB ARG A 68 6.361 2.792 2.579 1.00 71.34 C ATOM 1121 CG ARG A 68 7.336 2.846 1.387 1.00 60.31 C ATOM 1122 CD ARG A 68 8.790 3.091 1.799 1.00 55.24 C ATOM 1123 NE ARG A 68 9.039 4.485 2.200 1.00 11.10 N ATOM 1124 CZ ARG A 68 10.019 4.887 3.014 1.00 70.14 C ATOM 1125 NH1 ARG A 68 10.861 4.016 3.561 1.00 44.40 N ATOM 1126 NH2 ARG A 68 10.196 6.179 3.236 1.00 0.10 N ATOM 0 H ARG A 68 3.999 4.344 2.152 1.00 11.43 H new ATOM 0 HA ARG A 68 4.936 1.610 1.487 1.00 61.50 H new ATOM 0 HB2 ARG A 68 6.375 3.753 3.093 1.00 71.34 H new ATOM 0 HB3 ARG A 68 6.711 2.044 3.291 1.00 71.34 H new ATOM 0 HG2 ARG A 68 7.276 1.908 0.836 1.00 60.31 H new ATOM 0 HG3 ARG A 68 7.021 3.637 0.706 1.00 60.31 H new ATOM 0 HD2 ARG A 68 9.046 2.428 2.626 1.00 55.24 H new ATOM 0 HD3 ARG A 68 9.447 2.833 0.968 1.00 55.24 H new ATOM 0 HE ARG A 68 8.414 5.200 1.827 1.00 11.10 H new ATOM 0 HH11 ARG A 68 10.765 3.020 3.362 1.00 44.40 H new ATOM 0 HH12 ARG A 68 11.603 4.343 4.180 1.00 44.40 H new ATOM 0 HH21 ARG A 68 9.586 6.862 2.787 1.00 0.10 H new ATOM 0 HH22 ARG A 68 10.942 6.492 3.857 1.00 0.10 H new ATOM 1140 N ALA A 69 3.378 0.929 3.276 1.00 51.21 N ATOM 1141 CA ALA A 69 2.517 0.394 4.332 1.00 14.23 C ATOM 1142 C ALA A 69 3.171 -0.831 4.981 1.00 52.32 C ATOM 1143 O ALA A 69 3.583 -1.755 4.278 1.00 41.33 O ATOM 1144 CB ALA A 69 1.140 0.046 3.748 1.00 23.53 C ATOM 0 H ALA A 69 3.411 0.344 2.441 1.00 51.21 H new ATOM 0 HA ALA A 69 2.382 1.148 5.107 1.00 14.23 H new ATOM 0 HB1 ALA A 69 0.501 -0.352 4.536 1.00 23.53 H new ATOM 0 HB2 ALA A 69 0.685 0.944 3.330 1.00 23.53 H new ATOM 0 HB3 ALA A 69 1.256 -0.701 2.963 1.00 23.53 H new ATOM 1150 N ARG A 70 3.289 -0.816 6.322 1.00 14.01 N ATOM 1151 CA ARG A 70 3.796 -1.973 7.078 1.00 65.54 C ATOM 1152 C ARG A 70 2.620 -2.877 7.468 1.00 73.43 C ATOM 1153 O ARG A 70 1.773 -2.497 8.290 1.00 73.14 O ATOM 1154 CB ARG A 70 4.588 -1.537 8.340 1.00 2.32 C ATOM 1155 CG ARG A 70 5.807 -0.639 8.043 1.00 2.13 C ATOM 1156 CD ARG A 70 6.792 -0.547 9.223 1.00 42.31 C ATOM 1157 NE ARG A 70 6.130 -0.248 10.511 1.00 4.30 N ATOM 1158 CZ ARG A 70 6.560 -0.664 11.722 1.00 32.14 C ATOM 1159 NH1 ARG A 70 7.666 -1.403 11.845 1.00 23.11 N ATOM 1160 NH2 ARG A 70 5.865 -0.347 12.809 1.00 75.24 N ATOM 0 H ARG A 70 3.040 -0.015 6.902 1.00 14.01 H new ATOM 0 HA ARG A 70 4.488 -2.523 6.440 1.00 65.54 H new ATOM 0 HB2 ARG A 70 3.914 -1.005 9.012 1.00 2.32 H new ATOM 0 HB3 ARG A 70 4.927 -2.428 8.868 1.00 2.32 H new ATOM 0 HG2 ARG A 70 6.331 -1.026 7.169 1.00 2.13 H new ATOM 0 HG3 ARG A 70 5.460 0.362 7.789 1.00 2.13 H new ATOM 0 HD2 ARG A 70 7.334 -1.489 9.310 1.00 42.31 H new ATOM 0 HD3 ARG A 70 7.530 0.227 9.013 1.00 42.31 H new ATOM 0 HE ARG A 70 5.281 0.317 10.483 1.00 4.30 H new ATOM 0 HH11 ARG A 70 8.201 -1.662 11.016 1.00 23.11 H new ATOM 0 HH12 ARG A 70 7.976 -1.708 12.768 1.00 23.11 H new ATOM 0 HH21 ARG A 70 5.013 0.207 12.726 1.00 75.24 H new ATOM 0 HH22 ARG A 70 6.184 -0.658 13.727 1.00 75.24 H new ATOM 1174 N PHE A 71 2.568 -4.054 6.832 1.00 34.22 N ATOM 1175 CA PHE A 71 1.532 -5.068 7.056 1.00 61.21 C ATOM 1176 C PHE A 71 1.910 -5.956 8.248 1.00 65.25 C ATOM 1177 O PHE A 71 3.082 -6.321 8.402 1.00 63.22 O ATOM 1178 CB PHE A 71 1.323 -5.912 5.765 1.00 31.53 C ATOM 1179 CG PHE A 71 0.570 -5.175 4.652 1.00 25.45 C ATOM 1180 CD1 PHE A 71 1.068 -4.001 4.089 1.00 23.12 C ATOM 1181 CD2 PHE A 71 -0.644 -5.660 4.176 1.00 40.22 C ATOM 1182 CE1 PHE A 71 0.371 -3.345 3.092 1.00 0.51 C ATOM 1183 CE2 PHE A 71 -1.336 -5.003 3.181 1.00 71.04 C ATOM 1184 CZ PHE A 71 -0.828 -3.846 2.641 1.00 63.32 C ATOM 0 H PHE A 71 3.258 -4.333 6.134 1.00 34.22 H new ATOM 0 HA PHE A 71 0.590 -4.573 7.292 1.00 61.21 H new ATOM 0 HB2 PHE A 71 2.296 -6.224 5.386 1.00 31.53 H new ATOM 0 HB3 PHE A 71 0.775 -6.819 6.021 1.00 31.53 H new ATOM 0 HD1 PHE A 71 2.009 -3.600 4.436 1.00 23.12 H new ATOM 0 HD2 PHE A 71 -1.052 -6.568 4.594 1.00 40.22 H new ATOM 0 HE1 PHE A 71 0.769 -2.436 2.666 1.00 0.51 H new ATOM 0 HE2 PHE A 71 -2.277 -5.397 2.826 1.00 71.04 H new ATOM 0 HZ PHE A 71 -1.370 -3.330 1.862 1.00 63.32 H new ATOM 1194 N GLU A 72 0.876 -6.322 9.036 1.00 35.40 N ATOM 1195 CA GLU A 72 0.984 -7.092 10.297 1.00 73.10 C ATOM 1196 C GLU A 72 1.842 -8.364 10.123 1.00 61.15 C ATOM 1197 O GLU A 72 2.742 -8.638 10.929 1.00 21.22 O ATOM 1198 CB GLU A 72 -0.458 -7.453 10.797 1.00 62.23 C ATOM 1199 CG GLU A 72 -1.355 -8.160 9.739 1.00 12.44 C ATOM 1200 CD GLU A 72 -2.722 -8.603 10.280 1.00 23.41 C ATOM 1201 OE1 GLU A 72 -2.760 -9.506 11.133 1.00 10.12 O ATOM 1202 OE2 GLU A 72 -3.764 -8.064 9.850 1.00 70.35 O ATOM 0 H GLU A 72 -0.088 -6.083 8.806 1.00 35.40 H new ATOM 0 HA GLU A 72 1.488 -6.476 11.041 1.00 73.10 H new ATOM 0 HB2 GLU A 72 -0.374 -8.098 11.671 1.00 62.23 H new ATOM 0 HB3 GLU A 72 -0.955 -6.539 11.122 1.00 62.23 H new ATOM 0 HG2 GLU A 72 -1.510 -7.484 8.898 1.00 12.44 H new ATOM 0 HG3 GLU A 72 -0.827 -9.033 9.354 1.00 12.44 H new ATOM 1209 N LYS A 73 1.579 -9.088 9.028 1.00 74.42 N ATOM 1210 CA LYS A 73 2.317 -10.305 8.657 1.00 11.41 C ATOM 1211 C LYS A 73 3.405 -9.935 7.650 1.00 4.24 C ATOM 1212 O LYS A 73 4.557 -10.341 7.795 1.00 35.34 O ATOM 1213 CB LYS A 73 1.366 -11.363 8.034 1.00 63.54 C ATOM 1214 CG LYS A 73 0.106 -11.664 8.870 1.00 65.32 C ATOM 1215 CD LYS A 73 0.416 -12.164 10.305 1.00 25.52 C ATOM 1216 CE LYS A 73 -0.868 -12.445 11.105 1.00 4.05 C ATOM 1217 NZ LYS A 73 -1.719 -13.464 10.439 1.00 3.44 N ATOM 0 H LYS A 73 0.841 -8.844 8.367 1.00 74.42 H new ATOM 0 HA LYS A 73 2.763 -10.736 9.553 1.00 11.41 H new ATOM 0 HB2 LYS A 73 1.058 -11.019 7.047 1.00 63.54 H new ATOM 0 HB3 LYS A 73 1.920 -12.290 7.889 1.00 63.54 H new ATOM 0 HG2 LYS A 73 -0.502 -10.762 8.932 1.00 65.32 H new ATOM 0 HG3 LYS A 73 -0.491 -12.416 8.354 1.00 65.32 H new ATOM 0 HD2 LYS A 73 1.016 -13.072 10.251 1.00 25.52 H new ATOM 0 HD3 LYS A 73 1.014 -11.418 10.828 1.00 25.52 H new ATOM 0 HE2 LYS A 73 -0.605 -12.788 12.106 1.00 4.05 H new ATOM 0 HE3 LYS A 73 -1.433 -11.520 11.223 1.00 4.05 H new ATOM 0 HZ1 LYS A 73 -2.464 -13.776 11.094 1.00 3.44 H new ATOM 0 HZ2 LYS A 73 -2.155 -13.051 9.590 1.00 3.44 H new ATOM 0 HZ3 LYS A 73 -1.134 -14.280 10.166 1.00 3.44 H new ATOM 1231 N GLY A 74 2.992 -9.136 6.634 1.00 15.44 N ATOM 1232 CA GLY A 74 3.858 -8.729 5.528 1.00 23.10 C ATOM 1233 C GLY A 74 4.439 -9.911 4.766 1.00 50.20 C ATOM 1234 O GLY A 74 5.635 -9.932 4.481 1.00 25.22 O ATOM 0 H GLY A 74 2.045 -8.762 6.570 1.00 15.44 H new ATOM 0 HA2 GLY A 74 3.290 -8.103 4.840 1.00 23.10 H new ATOM 0 HA3 GLY A 74 4.672 -8.118 5.917 1.00 23.10 H new ATOM 1238 N LEU A 75 3.573 -10.894 4.454 1.00 2.52 N ATOM 1239 CA LEU A 75 3.978 -12.142 3.773 1.00 34.35 C ATOM 1240 C LEU A 75 4.345 -11.864 2.292 1.00 23.42 C ATOM 1241 O LEU A 75 3.677 -11.045 1.639 1.00 23.23 O ATOM 1242 CB LEU A 75 2.846 -13.216 3.884 1.00 32.13 C ATOM 1243 CG LEU A 75 2.551 -13.747 5.326 1.00 54.22 C ATOM 1244 CD1 LEU A 75 1.331 -14.699 5.342 1.00 21.40 C ATOM 1245 CD2 LEU A 75 3.807 -14.420 5.939 1.00 14.20 C ATOM 0 H LEU A 75 2.576 -10.847 4.665 1.00 2.52 H new ATOM 0 HA LEU A 75 4.866 -12.535 4.267 1.00 34.35 H new ATOM 0 HB2 LEU A 75 1.928 -12.792 3.478 1.00 32.13 H new ATOM 0 HB3 LEU A 75 3.112 -14.064 3.252 1.00 32.13 H new ATOM 0 HG LEU A 75 2.297 -12.890 5.949 1.00 54.22 H new ATOM 0 HD11 LEU A 75 1.155 -15.048 6.359 1.00 21.40 H new ATOM 0 HD12 LEU A 75 0.450 -14.167 4.984 1.00 21.40 H new ATOM 0 HD13 LEU A 75 1.527 -15.553 4.694 1.00 21.40 H new ATOM 0 HD21 LEU A 75 3.574 -14.780 6.941 1.00 14.20 H new ATOM 0 HD22 LEU A 75 4.112 -15.259 5.314 1.00 14.20 H new ATOM 0 HD23 LEU A 75 4.619 -13.694 5.994 1.00 14.20 H new ATOM 1257 N PRO A 76 5.423 -12.530 1.747 1.00 73.30 N ATOM 1258 CA PRO A 76 5.862 -12.351 0.335 1.00 62.04 C ATOM 1259 C PRO A 76 4.777 -12.813 -0.670 1.00 40.31 C ATOM 1260 O PRO A 76 4.307 -13.960 -0.613 1.00 52.03 O ATOM 1261 CB PRO A 76 7.147 -13.227 0.242 1.00 11.13 C ATOM 1262 CG PRO A 76 6.995 -14.239 1.337 1.00 14.43 C ATOM 1263 CD PRO A 76 6.303 -13.499 2.463 1.00 0.12 C ATOM 0 HA PRO A 76 6.043 -11.307 0.080 1.00 62.04 H new ATOM 0 HB2 PRO A 76 7.230 -13.707 -0.733 1.00 11.13 H new ATOM 0 HB3 PRO A 76 8.047 -12.627 0.379 1.00 11.13 H new ATOM 0 HG2 PRO A 76 6.405 -15.093 1.005 1.00 14.43 H new ATOM 0 HG3 PRO A 76 7.964 -14.625 1.655 1.00 14.43 H new ATOM 0 HD2 PRO A 76 5.727 -14.175 3.094 1.00 0.12 H new ATOM 0 HD3 PRO A 76 7.018 -12.991 3.110 1.00 0.12 H new ATOM 1271 N GLY A 77 4.381 -11.899 -1.566 1.00 45.34 N ATOM 1272 CA GLY A 77 3.332 -12.146 -2.552 1.00 70.44 C ATOM 1273 C GLY A 77 3.886 -12.224 -3.961 1.00 31.11 C ATOM 1274 O GLY A 77 4.646 -11.343 -4.375 1.00 10.44 O ATOM 0 H GLY A 77 4.784 -10.964 -1.624 1.00 45.34 H new ATOM 0 HA2 GLY A 77 2.820 -13.078 -2.311 1.00 70.44 H new ATOM 0 HA3 GLY A 77 2.589 -11.351 -2.498 1.00 70.44 H new ATOM 1278 N GLN A 78 3.479 -13.272 -4.706 1.00 40.32 N ATOM 1279 CA GLN A 78 3.833 -13.463 -6.136 1.00 23.12 C ATOM 1280 C GLN A 78 2.863 -12.644 -7.049 1.00 22.34 C ATOM 1281 O GLN A 78 2.934 -12.690 -8.282 1.00 63.11 O ATOM 1282 CB GLN A 78 3.783 -14.989 -6.464 1.00 43.34 C ATOM 1283 CG GLN A 78 4.389 -15.402 -7.826 1.00 43.34 C ATOM 1284 CD GLN A 78 4.268 -16.902 -8.116 1.00 70.23 C ATOM 1285 OE1 GLN A 78 3.314 -17.557 -7.691 1.00 4.53 O ATOM 1286 NE2 GLN A 78 5.228 -17.458 -8.842 1.00 41.11 N ATOM 0 H GLN A 78 2.891 -14.018 -4.334 1.00 40.32 H new ATOM 0 HA GLN A 78 4.841 -13.095 -6.327 1.00 23.12 H new ATOM 0 HB2 GLN A 78 4.307 -15.529 -5.675 1.00 43.34 H new ATOM 0 HB3 GLN A 78 2.743 -15.314 -6.436 1.00 43.34 H new ATOM 0 HG2 GLN A 78 3.892 -14.845 -8.620 1.00 43.34 H new ATOM 0 HG3 GLN A 78 5.441 -15.119 -7.848 1.00 43.34 H new ATOM 0 HE21 GLN A 78 6.005 -16.891 -9.180 1.00 41.11 H new ATOM 0 HE22 GLN A 78 5.189 -18.453 -9.063 1.00 41.11 H new ATOM 1295 N ALA A 79 1.970 -11.876 -6.413 1.00 4.15 N ATOM 1296 CA ALA A 79 0.941 -11.066 -7.077 1.00 71.45 C ATOM 1297 C ALA A 79 1.406 -9.606 -7.300 1.00 14.10 C ATOM 1298 O ALA A 79 0.582 -8.696 -7.277 1.00 22.24 O ATOM 1299 CB ALA A 79 -0.363 -11.139 -6.258 1.00 12.22 C ATOM 0 H ALA A 79 1.942 -11.799 -5.396 1.00 4.15 H new ATOM 0 HA ALA A 79 0.757 -11.473 -8.071 1.00 71.45 H new ATOM 0 HB1 ALA A 79 -1.132 -10.540 -6.745 1.00 12.22 H new ATOM 0 HB2 ALA A 79 -0.696 -12.175 -6.195 1.00 12.22 H new ATOM 0 HB3 ALA A 79 -0.184 -10.754 -5.254 1.00 12.22 H new ATOM 1305 N LEU A 80 2.736 -9.386 -7.477 1.00 73.05 N ATOM 1306 CA LEU A 80 3.292 -8.046 -7.825 1.00 20.41 C ATOM 1307 C LEU A 80 2.578 -7.468 -9.082 1.00 32.41 C ATOM 1308 O LEU A 80 2.758 -7.971 -10.198 1.00 54.10 O ATOM 1309 CB LEU A 80 4.831 -8.129 -8.067 1.00 61.21 C ATOM 1310 CG LEU A 80 5.714 -8.574 -6.855 1.00 32.41 C ATOM 1311 CD1 LEU A 80 7.207 -8.667 -7.253 1.00 1.21 C ATOM 1312 CD2 LEU A 80 5.521 -7.635 -5.648 1.00 11.12 C ATOM 0 H LEU A 80 3.443 -10.116 -7.385 1.00 73.05 H new ATOM 0 HA LEU A 80 3.113 -7.377 -6.984 1.00 20.41 H new ATOM 0 HB2 LEU A 80 5.008 -8.823 -8.889 1.00 61.21 H new ATOM 0 HB3 LEU A 80 5.176 -7.149 -8.397 1.00 61.21 H new ATOM 0 HG LEU A 80 5.386 -9.570 -6.558 1.00 32.41 H new ATOM 0 HD11 LEU A 80 7.795 -8.978 -6.390 1.00 1.21 H new ATOM 0 HD12 LEU A 80 7.325 -9.396 -8.055 1.00 1.21 H new ATOM 0 HD13 LEU A 80 7.554 -7.692 -7.595 1.00 1.21 H new ATOM 0 HD21 LEU A 80 6.148 -7.971 -4.822 1.00 11.12 H new ATOM 0 HD22 LEU A 80 5.803 -6.620 -5.928 1.00 11.12 H new ATOM 0 HD23 LEU A 80 4.476 -7.649 -5.339 1.00 11.12 H new ATOM 1324 N GLY A 81 1.747 -6.432 -8.863 1.00 71.32 N ATOM 1325 CA GLY A 81 0.900 -5.824 -9.906 1.00 62.14 C ATOM 1326 C GLY A 81 -0.578 -5.781 -9.510 1.00 65.32 C ATOM 1327 O GLY A 81 -1.382 -5.111 -10.170 1.00 72.45 O ATOM 0 H GLY A 81 1.644 -5.990 -7.950 1.00 71.32 H new ATOM 0 HA2 GLY A 81 1.248 -4.811 -10.107 1.00 62.14 H new ATOM 0 HA3 GLY A 81 1.008 -6.388 -10.832 1.00 62.14 H new ATOM 1331 N ASP A 82 -0.921 -6.482 -8.410 1.00 30.31 N ATOM 1332 CA ASP A 82 -2.312 -6.648 -7.925 1.00 1.44 C ATOM 1333 C ASP A 82 -2.848 -5.351 -7.275 1.00 12.40 C ATOM 1334 O ASP A 82 -2.074 -4.450 -6.948 1.00 72.24 O ATOM 1335 CB ASP A 82 -2.349 -7.839 -6.924 1.00 4.44 C ATOM 1336 CG ASP A 82 -3.753 -8.220 -6.431 1.00 4.24 C ATOM 1337 OD1 ASP A 82 -4.554 -8.744 -7.234 1.00 32.04 O ATOM 1338 OD2 ASP A 82 -4.069 -8.005 -5.247 1.00 62.12 O ATOM 0 H ASP A 82 -0.233 -6.956 -7.824 1.00 30.31 H new ATOM 0 HA ASP A 82 -2.965 -6.861 -8.771 1.00 1.44 H new ATOM 0 HB2 ASP A 82 -1.897 -8.710 -7.399 1.00 4.44 H new ATOM 0 HB3 ASP A 82 -1.731 -7.590 -6.061 1.00 4.44 H new ATOM 1343 N TYR A 83 -4.174 -5.262 -7.109 1.00 72.44 N ATOM 1344 CA TYR A 83 -4.843 -4.086 -6.536 1.00 32.35 C ATOM 1345 C TYR A 83 -5.113 -4.293 -5.037 1.00 21.12 C ATOM 1346 O TYR A 83 -5.741 -5.277 -4.635 1.00 53.22 O ATOM 1347 CB TYR A 83 -6.155 -3.799 -7.311 1.00 44.23 C ATOM 1348 CG TYR A 83 -5.917 -3.256 -8.736 1.00 33.34 C ATOM 1349 CD1 TYR A 83 -5.391 -4.066 -9.750 1.00 14.51 C ATOM 1350 CD2 TYR A 83 -6.189 -1.923 -9.059 1.00 73.31 C ATOM 1351 CE1 TYR A 83 -5.147 -3.569 -11.020 1.00 51.14 C ATOM 1352 CE2 TYR A 83 -5.953 -1.428 -10.330 1.00 74.44 C ATOM 1353 CZ TYR A 83 -5.428 -2.253 -11.305 1.00 34.12 C ATOM 1354 OH TYR A 83 -5.178 -1.752 -12.568 1.00 4.21 O ATOM 0 H TYR A 83 -4.817 -6.009 -7.370 1.00 72.44 H new ATOM 0 HA TYR A 83 -4.189 -3.220 -6.635 1.00 32.35 H new ATOM 0 HB2 TYR A 83 -6.740 -4.716 -7.373 1.00 44.23 H new ATOM 0 HB3 TYR A 83 -6.750 -3.078 -6.750 1.00 44.23 H new ATOM 0 HD1 TYR A 83 -5.171 -5.102 -9.537 1.00 14.51 H new ATOM 0 HD2 TYR A 83 -6.591 -1.266 -8.302 1.00 73.31 H new ATOM 0 HE1 TYR A 83 -4.737 -4.213 -11.784 1.00 51.14 H new ATOM 0 HE2 TYR A 83 -6.179 -0.397 -10.559 1.00 74.44 H new ATOM 0 HH TYR A 83 -5.434 -0.807 -12.601 1.00 4.21 H new ATOM 1364 N VAL A 84 -4.613 -3.343 -4.236 1.00 41.52 N ATOM 1365 CA VAL A 84 -4.859 -3.248 -2.787 1.00 72.11 C ATOM 1366 C VAL A 84 -5.957 -2.194 -2.566 1.00 24.34 C ATOM 1367 O VAL A 84 -6.076 -1.249 -3.359 1.00 52.14 O ATOM 1368 CB VAL A 84 -3.547 -2.832 -1.989 1.00 53.14 C ATOM 1369 CG1 VAL A 84 -2.357 -3.750 -2.331 1.00 21.31 C ATOM 1370 CG2 VAL A 84 -3.152 -1.350 -2.203 1.00 14.14 C ATOM 0 H VAL A 84 -4.010 -2.598 -4.585 1.00 41.52 H new ATOM 0 HA VAL A 84 -5.166 -4.224 -2.412 1.00 72.11 H new ATOM 0 HB VAL A 84 -3.795 -2.954 -0.935 1.00 53.14 H new ATOM 0 HG11 VAL A 84 -1.480 -3.434 -1.766 1.00 21.31 H new ATOM 0 HG12 VAL A 84 -2.605 -4.779 -2.071 1.00 21.31 H new ATOM 0 HG13 VAL A 84 -2.144 -3.687 -3.398 1.00 21.31 H new ATOM 0 HG21 VAL A 84 -2.250 -1.128 -1.633 1.00 14.14 H new ATOM 0 HG22 VAL A 84 -2.965 -1.173 -3.262 1.00 14.14 H new ATOM 0 HG23 VAL A 84 -3.963 -0.705 -1.865 1.00 14.14 H new ATOM 1380 N GLU A 85 -6.769 -2.357 -1.518 1.00 10.23 N ATOM 1381 CA GLU A 85 -7.827 -1.393 -1.182 1.00 33.32 C ATOM 1382 C GLU A 85 -7.423 -0.638 0.087 1.00 62.22 C ATOM 1383 O GLU A 85 -7.451 -1.194 1.189 1.00 52.02 O ATOM 1384 CB GLU A 85 -9.177 -2.147 -1.004 1.00 1.32 C ATOM 1385 CG GLU A 85 -9.557 -3.052 -2.205 1.00 34.54 C ATOM 1386 CD GLU A 85 -9.595 -2.306 -3.557 1.00 22.44 C ATOM 1387 OE1 GLU A 85 -10.469 -1.432 -3.738 1.00 62.42 O ATOM 1388 OE2 GLU A 85 -8.770 -2.602 -4.454 1.00 72.42 O ATOM 0 H GLU A 85 -6.715 -3.153 -0.882 1.00 10.23 H new ATOM 0 HA GLU A 85 -7.957 -0.667 -1.984 1.00 33.32 H new ATOM 0 HB2 GLU A 85 -9.124 -2.759 -0.104 1.00 1.32 H new ATOM 0 HB3 GLU A 85 -9.971 -1.417 -0.847 1.00 1.32 H new ATOM 0 HG2 GLU A 85 -8.841 -3.871 -2.272 1.00 34.54 H new ATOM 0 HG3 GLU A 85 -10.534 -3.497 -2.018 1.00 34.54 H new ATOM 1395 N ILE A 86 -7.052 0.636 -0.090 1.00 44.15 N ATOM 1396 CA ILE A 86 -6.646 1.518 1.004 1.00 73.34 C ATOM 1397 C ILE A 86 -7.909 2.208 1.517 1.00 71.44 C ATOM 1398 O ILE A 86 -8.323 3.257 1.010 1.00 62.24 O ATOM 1399 CB ILE A 86 -5.580 2.584 0.524 1.00 42.14 C ATOM 1400 CG1 ILE A 86 -4.377 1.882 -0.191 1.00 31.51 C ATOM 1401 CG2 ILE A 86 -5.096 3.465 1.706 1.00 35.14 C ATOM 1402 CD1 ILE A 86 -3.356 2.823 -0.815 1.00 64.02 C ATOM 0 H ILE A 86 -7.026 1.085 -1.006 1.00 44.15 H new ATOM 0 HA ILE A 86 -6.170 0.940 1.796 1.00 73.34 H new ATOM 0 HB ILE A 86 -6.063 3.242 -0.198 1.00 42.14 H new ATOM 0 HG12 ILE A 86 -3.867 1.245 0.532 1.00 31.51 H new ATOM 0 HG13 ILE A 86 -4.769 1.229 -0.970 1.00 31.51 H new ATOM 0 HG21 ILE A 86 -4.364 4.188 1.345 1.00 35.14 H new ATOM 0 HG22 ILE A 86 -5.946 3.994 2.138 1.00 35.14 H new ATOM 0 HG23 ILE A 86 -4.637 2.833 2.467 1.00 35.14 H new ATOM 0 HD11 ILE A 86 -2.564 2.240 -1.285 1.00 64.02 H new ATOM 0 HD12 ILE A 86 -3.844 3.443 -1.567 1.00 64.02 H new ATOM 0 HD13 ILE A 86 -2.928 3.460 -0.041 1.00 64.02 H new ATOM 1414 N VAL A 87 -8.529 1.573 2.502 1.00 52.43 N ATOM 1415 CA VAL A 87 -9.765 2.046 3.127 1.00 72.42 C ATOM 1416 C VAL A 87 -9.413 3.022 4.261 1.00 73.53 C ATOM 1417 O VAL A 87 -8.327 2.936 4.857 1.00 64.23 O ATOM 1418 CB VAL A 87 -10.616 0.819 3.660 1.00 61.32 C ATOM 1419 CG1 VAL A 87 -11.960 1.257 4.303 1.00 14.31 C ATOM 1420 CG2 VAL A 87 -10.858 -0.209 2.521 1.00 75.13 C ATOM 0 H VAL A 87 -8.184 0.699 2.899 1.00 52.43 H new ATOM 0 HA VAL A 87 -10.375 2.571 2.392 1.00 72.42 H new ATOM 0 HB VAL A 87 -10.033 0.345 4.449 1.00 61.32 H new ATOM 0 HG11 VAL A 87 -12.501 0.377 4.650 1.00 14.31 H new ATOM 0 HG12 VAL A 87 -11.761 1.917 5.147 1.00 14.31 H new ATOM 0 HG13 VAL A 87 -12.562 1.785 3.563 1.00 14.31 H new ATOM 0 HG21 VAL A 87 -11.444 -1.045 2.904 1.00 75.13 H new ATOM 0 HG22 VAL A 87 -11.400 0.271 1.707 1.00 75.13 H new ATOM 0 HG23 VAL A 87 -9.900 -0.576 2.152 1.00 75.13 H new ATOM 1430 N LEU A 88 -10.314 3.975 4.526 1.00 35.33 N ATOM 1431 CA LEU A 88 -10.184 4.918 5.649 1.00 64.12 C ATOM 1432 C LEU A 88 -10.289 4.182 6.998 1.00 25.21 C ATOM 1433 O LEU A 88 -10.692 3.011 7.054 1.00 32.45 O ATOM 1434 CB LEU A 88 -11.237 6.065 5.520 1.00 62.34 C ATOM 1435 CG LEU A 88 -10.853 7.241 4.550 1.00 3.23 C ATOM 1436 CD1 LEU A 88 -9.573 7.950 5.046 1.00 34.52 C ATOM 1437 CD2 LEU A 88 -10.700 6.766 3.076 1.00 4.02 C ATOM 0 H LEU A 88 -11.156 4.116 3.968 1.00 35.33 H new ATOM 0 HA LEU A 88 -9.195 5.375 5.613 1.00 64.12 H new ATOM 0 HB2 LEU A 88 -12.178 5.632 5.181 1.00 62.34 H new ATOM 0 HB3 LEU A 88 -11.416 6.481 6.511 1.00 62.34 H new ATOM 0 HG LEU A 88 -11.675 7.957 4.561 1.00 3.23 H new ATOM 0 HD11 LEU A 88 -9.319 8.762 4.364 1.00 34.52 H new ATOM 0 HD12 LEU A 88 -9.744 8.354 6.044 1.00 34.52 H new ATOM 0 HD13 LEU A 88 -8.751 7.235 5.080 1.00 34.52 H new ATOM 0 HD21 LEU A 88 -10.434 7.615 2.446 1.00 4.02 H new ATOM 0 HD22 LEU A 88 -9.916 6.011 3.017 1.00 4.02 H new ATOM 0 HD23 LEU A 88 -11.642 6.339 2.732 1.00 4.02 H new ATOM 1449 N GLU A 89 -9.929 4.898 8.070 1.00 50.13 N ATOM 1450 CA GLU A 89 -9.745 4.327 9.413 1.00 73.12 C ATOM 1451 C GLU A 89 -11.098 3.858 10.002 1.00 75.10 C ATOM 1452 O GLU A 89 -11.755 4.590 10.752 1.00 53.52 O ATOM 1453 CB GLU A 89 -9.053 5.378 10.322 1.00 20.13 C ATOM 1454 CG GLU A 89 -7.708 5.902 9.768 1.00 62.31 C ATOM 1455 CD GLU A 89 -7.148 7.086 10.566 1.00 71.43 C ATOM 1456 OE1 GLU A 89 -7.514 8.240 10.260 1.00 0.23 O ATOM 1457 OE2 GLU A 89 -6.350 6.879 11.505 1.00 44.43 O ATOM 0 H GLU A 89 -9.755 5.902 8.030 1.00 50.13 H new ATOM 0 HA GLU A 89 -9.106 3.446 9.352 1.00 73.12 H new ATOM 0 HB2 GLU A 89 -9.729 6.221 10.464 1.00 20.13 H new ATOM 0 HB3 GLU A 89 -8.882 4.937 11.304 1.00 20.13 H new ATOM 0 HG2 GLU A 89 -6.979 5.091 9.773 1.00 62.31 H new ATOM 0 HG3 GLU A 89 -7.843 6.203 8.729 1.00 62.31 H new ATOM 1464 N HIS A 90 -11.510 2.633 9.605 1.00 45.02 N ATOM 1465 CA HIS A 90 -12.797 2.033 9.985 1.00 54.52 C ATOM 1466 C HIS A 90 -12.841 1.736 11.498 1.00 45.12 C ATOM 1467 O HIS A 90 -13.866 1.978 12.138 1.00 34.33 O ATOM 1468 CB HIS A 90 -13.048 0.741 9.165 1.00 5.22 C ATOM 1469 CG HIS A 90 -14.334 0.023 9.512 1.00 72.43 C ATOM 1470 ND1 HIS A 90 -14.365 -1.201 10.148 1.00 42.44 N ATOM 1471 CD2 HIS A 90 -15.636 0.372 9.320 1.00 34.51 C ATOM 1472 CE1 HIS A 90 -15.614 -1.577 10.322 1.00 15.14 C ATOM 1473 NE2 HIS A 90 -16.403 -0.645 9.832 1.00 53.43 N ATOM 0 H HIS A 90 -10.947 2.031 9.005 1.00 45.02 H new ATOM 0 HA HIS A 90 -13.589 2.747 9.761 1.00 54.52 H new ATOM 0 HB2 HIS A 90 -13.062 0.994 8.105 1.00 5.22 H new ATOM 0 HB3 HIS A 90 -12.212 0.059 9.319 1.00 5.22 H new ATOM 0 HD2 HIS A 90 -15.997 1.277 8.854 1.00 34.51 H new ATOM 0 HE1 HIS A 90 -15.937 -2.496 10.788 1.00 15.14 H new ATOM 0 HE2 HIS A 90 -17.423 -0.674 9.832 1.00 53.43 H new ATOM 1482 N HIS A 91 -11.700 1.231 12.025 1.00 55.21 N ATOM 1483 CA HIS A 91 -11.540 0.804 13.434 1.00 23.32 C ATOM 1484 C HIS A 91 -12.570 -0.319 13.769 1.00 40.14 C ATOM 1485 O HIS A 91 -13.636 -0.041 14.355 1.00 74.24 O ATOM 1486 CB HIS A 91 -11.603 2.031 14.409 1.00 12.12 C ATOM 1487 CG HIS A 91 -11.463 1.698 15.877 1.00 23.24 C ATOM 1488 ND1 HIS A 91 -10.260 1.381 16.472 1.00 14.13 N ATOM 1489 CD2 HIS A 91 -12.389 1.639 16.870 1.00 74.43 C ATOM 1490 CE1 HIS A 91 -10.453 1.151 17.756 1.00 31.43 C ATOM 1491 NE2 HIS A 91 -11.731 1.302 18.021 1.00 52.52 N ATOM 0 H HIS A 91 -10.851 1.107 11.473 1.00 55.21 H new ATOM 0 HA HIS A 91 -10.549 0.374 13.575 1.00 23.32 H new ATOM 0 HB2 HIS A 91 -10.814 2.732 14.136 1.00 12.12 H new ATOM 0 HB3 HIS A 91 -12.552 2.545 14.259 1.00 12.12 H new ATOM 0 HD2 HIS A 91 -13.448 1.824 16.769 1.00 74.43 H new ATOM 0 HE1 HIS A 91 -9.688 0.883 18.470 1.00 31.43 H new ATOM 0 HE2 HIS A 91 -12.163 1.186 18.938 1.00 52.52 H new TER 1500 HIS A 91