USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 64 TYR OH : rot 177:sc= 0.125 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -109:sc= 0.098 (180deg=-0.0911) USER MOD Set 2.1: A 68 THR OG1 : rot 10:sc= 0.785 USER MOD Set 2.2: A 70 THR OG1 : rot 69:sc= 0.553 USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Set 3.2: A 54 ASN :FLIP amide:sc= 0 X(o=-0.0098,f=0) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= -0.451! USER MOD Set 4.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ 141:sc= 0.0757 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.03 X(o=-1,f=-0.88) USER MOD Single : A 11 TYR OH : rot -49:sc= 1.08 USER MOD Single : A 17 SER OG : rot -95:sc= 0.00153 USER MOD Single : A 19 THR OG1 : rot -140:sc= -0.148 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.734 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.415 (180deg=-1.69!) USER MOD Single : A 27 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -6.11! C(o=-9.6!,f=-6.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0679 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.629 -0.588 0.541 1.00 60.20 N ATOM 2 CA CYS A 1 1.293 -0.487 -0.747 1.00 41.25 C ATOM 3 C CYS A 1 0.679 -1.526 -1.687 1.00 62.15 C ATOM 4 O CYS A 1 0.249 -2.590 -1.246 1.00 31.43 O ATOM 5 CB CYS A 1 2.808 -0.658 -0.618 1.00 71.41 C ATOM 6 SG CYS A 1 3.634 -1.331 -2.106 1.00 72.30 S ATOM 0 H1 CYS A 1 1.327 -0.463 1.302 1.00 60.20 H new ATOM 0 H2 CYS A 1 -0.100 0.151 0.615 1.00 60.20 H new ATOM 0 H3 CYS A 1 0.184 -1.524 0.630 1.00 60.20 H new ATOM 0 HA CYS A 1 1.140 0.510 -1.160 1.00 41.25 H new ATOM 0 HB2 CYS A 1 3.250 0.310 -0.381 1.00 71.41 H new ATOM 0 HB3 CYS A 1 3.015 -1.318 0.225 1.00 71.41 H new ATOM 11 N TYR A 2 0.658 -1.181 -2.967 1.00 22.25 N ATOM 12 CA TYR A 2 0.104 -2.071 -3.973 1.00 21.24 C ATOM 13 C TYR A 2 1.212 -2.696 -4.823 1.00 5.52 C ATOM 14 O TYR A 2 2.268 -2.093 -5.013 1.00 30.15 O ATOM 15 CB TYR A 2 -0.778 -1.199 -4.867 1.00 54.34 C ATOM 16 CG TYR A 2 -1.993 -0.604 -4.153 1.00 13.41 C ATOM 17 CD1 TYR A 2 -2.900 -1.434 -3.526 1.00 1.45 C ATOM 18 CD2 TYR A 2 -2.183 0.763 -4.136 1.00 4.54 C ATOM 19 CE1 TYR A 2 -4.043 -0.874 -2.853 1.00 14.50 C ATOM 20 CE2 TYR A 2 -3.326 1.324 -3.463 1.00 71.41 C ATOM 21 CZ TYR A 2 -4.200 0.477 -2.855 1.00 51.50 C ATOM 22 OH TYR A 2 -5.280 1.006 -2.220 1.00 10.51 O ATOM 0 H TYR A 2 1.016 -0.297 -3.330 1.00 22.25 H new ATOM 0 HA TYR A 2 -0.451 -2.883 -3.503 1.00 21.24 H new ATOM 0 HB2 TYR A 2 -0.175 -0.387 -5.274 1.00 54.34 H new ATOM 0 HB3 TYR A 2 -1.122 -1.795 -5.712 1.00 54.34 H new ATOM 0 HD1 TYR A 2 -2.752 -2.504 -3.540 1.00 1.45 H new ATOM 0 HD2 TYR A 2 -1.474 1.412 -4.628 1.00 4.54 H new ATOM 0 HE1 TYR A 2 -4.760 -1.512 -2.358 1.00 14.50 H new ATOM 0 HE2 TYR A 2 -3.486 2.392 -3.441 1.00 71.41 H new ATOM 0 HH TYR A 2 -5.262 1.982 -2.302 1.00 10.51 H new ATOM 32 N VAL A 3 0.935 -3.895 -5.312 1.00 34.01 N ATOM 33 CA VAL A 3 1.895 -4.608 -6.137 1.00 50.54 C ATOM 34 C VAL A 3 1.192 -5.137 -7.389 1.00 34.13 C ATOM 35 O VAL A 3 0.105 -5.681 -7.371 1.00 1.13 O ATOM 36 CB VAL A 3 2.571 -5.710 -5.320 1.00 44.01 C ATOM 37 CG1 VAL A 3 1.844 -7.045 -5.493 1.00 1.14 C ATOM 38 CG2 VAL A 3 4.050 -5.839 -5.691 1.00 50.05 C ATOM 0 H VAL A 3 0.058 -4.392 -5.153 1.00 34.01 H new ATOM 0 HA VAL A 3 2.687 -3.936 -6.468 1.00 50.54 H new ATOM 0 HB VAL A 3 2.513 -5.431 -4.268 1.00 44.01 H new ATOM 0 HG11 VAL A 3 2.345 -7.811 -4.902 1.00 1.14 H new ATOM 0 HG12 VAL A 3 0.812 -6.944 -5.156 1.00 1.14 H new ATOM 0 HG13 VAL A 3 1.856 -7.332 -6.544 1.00 1.14 H new ATOM 0 HG21 VAL A 3 4.507 -6.629 -5.096 1.00 50.05 H new ATOM 0 HG22 VAL A 3 4.140 -6.084 -6.749 1.00 50.05 H new ATOM 0 HG23 VAL A 3 4.558 -4.895 -5.493 1.00 50.05 H new ATOM 48 N ASP A 4 1.846 -4.965 -8.504 1.00 3.43 N ATOM 49 CA ASP A 4 1.270 -5.442 -9.792 1.00 32.40 C ATOM 50 C ASP A 4 1.821 -6.832 -10.129 1.00 43.31 C ATOM 51 O ASP A 4 3.023 -7.031 -9.958 1.00 31.12 O ATOM 52 CB ASP A 4 1.723 -4.418 -10.833 1.00 10.24 C ATOM 53 CG ASP A 4 1.083 -4.743 -12.183 1.00 41.12 C ATOM 54 OD1 ASP A 4 0.467 -5.791 -12.288 1.00 62.34 O ATOM 55 OD2 ASP A 4 1.220 -3.940 -13.092 1.00 1.35 O ATOM 0 H ASP A 4 2.757 -4.513 -8.579 1.00 3.43 H new ATOM 0 HA ASP A 4 0.184 -5.529 -9.755 1.00 32.40 H new ATOM 0 HB2 ASP A 4 1.440 -3.414 -10.517 1.00 10.24 H new ATOM 0 HB3 ASP A 4 2.809 -4.430 -10.922 1.00 10.24 H new ATOM 60 N THR A 5 0.967 -7.738 -10.582 1.00 2.24 N ATOM 61 CA THR A 5 1.409 -9.080 -10.919 1.00 62.21 C ATOM 62 C THR A 5 1.452 -9.262 -12.438 1.00 13.44 C ATOM 63 O THR A 5 1.473 -10.388 -12.932 1.00 12.15 O ATOM 64 CB THR A 5 0.484 -10.074 -10.214 1.00 50.10 C ATOM 65 OG1 THR A 5 -0.738 -9.988 -10.943 1.00 25.12 O ATOM 66 CG2 THR A 5 0.108 -9.623 -8.801 1.00 55.33 C ATOM 0 H THR A 5 -0.029 -7.569 -10.723 1.00 2.24 H new ATOM 0 HA THR A 5 2.427 -9.259 -10.573 1.00 62.21 H new ATOM 0 HB THR A 5 0.968 -11.050 -10.167 1.00 50.10 H new ATOM 0 HG1 THR A 5 -1.395 -10.602 -10.554 1.00 25.12 H new ATOM 0 HG21 THR A 5 -0.549 -10.364 -8.345 1.00 55.33 H new ATOM 0 HG22 THR A 5 1.011 -9.520 -8.199 1.00 55.33 H new ATOM 0 HG23 THR A 5 -0.406 -8.663 -8.850 1.00 55.33 H new ATOM 74 N ASN A 6 1.463 -8.136 -13.136 1.00 11.31 N ATOM 75 CA ASN A 6 1.502 -8.156 -14.588 1.00 64.13 C ATOM 76 C ASN A 6 2.856 -7.624 -15.065 1.00 34.32 C ATOM 77 O ASN A 6 3.266 -7.885 -16.194 1.00 62.35 O ATOM 78 CB ASN A 6 0.409 -7.266 -15.182 1.00 10.44 C ATOM 79 CG ASN A 6 -0.890 -7.386 -14.382 1.00 71.23 C ATOM 80 OD1 ASN A 6 -1.641 -6.438 -14.223 1.00 33.25 O ATOM 81 ND2 ASN A 6 -1.112 -8.602 -13.891 1.00 2.14 N ATOM 0 H ASN A 6 1.446 -7.204 -12.723 1.00 11.31 H new ATOM 0 HA ASN A 6 1.346 -9.184 -14.915 1.00 64.13 H new ATOM 0 HB2 ASN A 6 0.743 -6.228 -15.187 1.00 10.44 H new ATOM 0 HB3 ASN A 6 0.229 -7.548 -16.219 1.00 10.44 H new ATOM 0 HD21 ASN A 6 -1.953 -8.785 -13.344 1.00 2.14 H new ATOM 0 HD22 ASN A 6 -0.441 -9.351 -14.062 1.00 2.14 H new ATOM 88 N ASN A 7 3.511 -6.888 -14.180 1.00 20.04 N ATOM 89 CA ASN A 7 4.809 -6.317 -14.496 1.00 24.24 C ATOM 90 C ASN A 7 4.623 -5.130 -15.443 1.00 32.04 C ATOM 91 O ASN A 7 5.477 -4.865 -16.287 1.00 1.42 O ATOM 92 CB ASN A 7 5.706 -7.342 -15.193 1.00 5.31 C ATOM 93 CG ASN A 7 5.611 -8.708 -14.511 1.00 72.23 C ATOM 94 OD1 ASN A 7 5.412 -9.733 -15.143 1.00 33.04 O ATOM 95 ND2 ASN A 7 5.763 -8.666 -13.191 1.00 1.12 N ATOM 0 H ASN A 7 3.167 -6.674 -13.244 1.00 20.04 H new ATOM 0 HA ASN A 7 5.276 -6.004 -13.562 1.00 24.24 H new ATOM 0 HB2 ASN A 7 5.415 -7.433 -16.239 1.00 5.31 H new ATOM 0 HB3 ASN A 7 6.739 -6.996 -15.179 1.00 5.31 H new ATOM 0 HD21 ASN A 7 5.716 -9.526 -12.645 1.00 1.12 H new ATOM 0 HD22 ASN A 7 5.927 -7.774 -12.725 1.00 1.12 H new ATOM 102 N ASP A 8 3.500 -4.447 -15.270 1.00 64.55 N ATOM 103 CA ASP A 8 3.191 -3.295 -16.099 1.00 52.23 C ATOM 104 C ASP A 8 3.455 -2.015 -15.304 1.00 14.30 C ATOM 105 O ASP A 8 3.777 -0.977 -15.880 1.00 52.13 O ATOM 106 CB ASP A 8 1.719 -3.297 -16.518 1.00 3.32 C ATOM 107 CG ASP A 8 0.753 -2.713 -15.486 1.00 13.54 C ATOM 108 OD1 ASP A 8 0.909 -1.511 -15.178 1.00 71.11 O ATOM 109 OD2 ASP A 8 -0.121 -3.481 -15.027 1.00 45.34 O ATOM 0 H ASP A 8 2.794 -4.670 -14.568 1.00 64.55 H new ATOM 0 HA ASP A 8 3.819 -3.341 -16.989 1.00 52.23 H new ATOM 0 HB2 ASP A 8 1.620 -2.734 -17.446 1.00 3.32 H new ATOM 0 HB3 ASP A 8 1.420 -4.323 -16.734 1.00 3.32 H new ATOM 114 N GLY A 9 3.308 -2.130 -13.992 1.00 70.23 N ATOM 115 CA GLY A 9 3.526 -0.995 -13.112 1.00 3.10 C ATOM 116 C GLY A 9 2.222 -0.235 -12.863 1.00 72.12 C ATOM 117 O GLY A 9 2.219 0.993 -12.788 1.00 21.44 O ATOM 0 H GLY A 9 3.040 -2.992 -13.517 1.00 70.23 H new ATOM 0 HA2 GLY A 9 3.937 -1.340 -12.163 1.00 3.10 H new ATOM 0 HA3 GLY A 9 4.263 -0.324 -13.554 1.00 3.10 H new ATOM 121 N ALA A 10 1.144 -0.997 -12.743 1.00 4.31 N ATOM 122 CA ALA A 10 -0.164 -0.411 -12.504 1.00 44.43 C ATOM 123 C ALA A 10 -0.972 -1.333 -11.590 1.00 20.21 C ATOM 124 O ALA A 10 -0.869 -2.555 -11.687 1.00 74.15 O ATOM 125 CB ALA A 10 -0.862 -0.158 -13.842 1.00 43.21 C ATOM 0 H ALA A 10 1.150 -2.015 -12.807 1.00 4.31 H new ATOM 0 HA ALA A 10 -0.068 0.550 -12.000 1.00 44.43 H new ATOM 0 HB1 ALA A 10 -1.843 0.282 -13.663 1.00 43.21 H new ATOM 0 HB2 ALA A 10 -0.262 0.526 -14.442 1.00 43.21 H new ATOM 0 HB3 ALA A 10 -0.979 -1.101 -14.376 1.00 43.21 H new ATOM 131 N TYR A 11 -1.758 -0.713 -10.722 1.00 22.10 N ATOM 132 CA TYR A 11 -2.583 -1.463 -9.791 1.00 33.41 C ATOM 133 C TYR A 11 -4.039 -1.507 -10.261 1.00 1.35 C ATOM 134 O TYR A 11 -4.711 -0.478 -10.305 1.00 53.34 O ATOM 135 CB TYR A 11 -2.511 -0.710 -8.461 1.00 51.45 C ATOM 136 CG TYR A 11 -1.088 -0.507 -7.938 1.00 11.24 C ATOM 137 CD1 TYR A 11 -0.213 -1.573 -7.887 1.00 1.14 C ATOM 138 CD2 TYR A 11 -0.679 0.742 -7.516 1.00 53.21 C ATOM 139 CE1 TYR A 11 1.126 -1.382 -7.394 1.00 25.04 C ATOM 140 CE2 TYR A 11 0.660 0.933 -7.023 1.00 41.01 C ATOM 141 CZ TYR A 11 1.497 -0.138 -6.986 1.00 71.52 C ATOM 142 OH TYR A 11 2.762 0.042 -6.521 1.00 30.24 O ATOM 0 H TYR A 11 -1.841 0.301 -10.644 1.00 22.10 H new ATOM 0 HA TYR A 11 -2.230 -2.491 -9.708 1.00 33.41 H new ATOM 0 HB2 TYR A 11 -2.986 0.264 -8.580 1.00 51.45 H new ATOM 0 HB3 TYR A 11 -3.087 -1.256 -7.714 1.00 51.45 H new ATOM 0 HD1 TYR A 11 -0.533 -2.550 -8.217 1.00 1.14 H new ATOM 0 HD2 TYR A 11 -1.364 1.576 -7.556 1.00 53.21 H new ATOM 0 HE1 TYR A 11 1.821 -2.208 -7.349 1.00 25.04 H new ATOM 0 HE2 TYR A 11 0.992 1.905 -6.690 1.00 41.01 H new ATOM 0 HH TYR A 11 2.967 -0.648 -5.856 1.00 30.24 H new ATOM 152 N GLU A 12 -4.483 -2.708 -10.599 1.00 25.43 N ATOM 153 CA GLU A 12 -5.846 -2.899 -11.063 1.00 70.44 C ATOM 154 C GLU A 12 -6.263 -4.362 -10.898 1.00 14.05 C ATOM 155 O GLU A 12 -5.702 -5.248 -11.540 1.00 21.01 O ATOM 156 CB GLU A 12 -5.998 -2.447 -12.517 1.00 73.20 C ATOM 157 CG GLU A 12 -5.353 -3.451 -13.474 1.00 62.41 C ATOM 158 CD GLU A 12 -3.937 -3.812 -13.018 1.00 15.21 C ATOM 159 OE1 GLU A 12 -3.177 -2.864 -12.725 1.00 11.04 O ATOM 160 OE2 GLU A 12 -3.648 -5.027 -12.973 1.00 0.01 O ATOM 0 H GLU A 12 -3.922 -3.559 -10.561 1.00 25.43 H new ATOM 0 HA GLU A 12 -6.506 -2.282 -10.454 1.00 70.44 H new ATOM 0 HB2 GLU A 12 -7.055 -2.337 -12.759 1.00 73.20 H new ATOM 0 HB3 GLU A 12 -5.537 -1.468 -12.647 1.00 73.20 H new ATOM 0 HG2 GLU A 12 -5.963 -4.353 -13.526 1.00 62.41 H new ATOM 0 HG3 GLU A 12 -5.319 -3.031 -14.479 1.00 62.41 H new ATOM 167 N GLY A 13 -7.245 -4.569 -10.032 1.00 72.54 N ATOM 168 CA GLY A 13 -7.744 -5.909 -9.774 1.00 72.50 C ATOM 169 C GLY A 13 -7.301 -6.403 -8.395 1.00 61.44 C ATOM 170 O GLY A 13 -7.645 -5.805 -7.377 1.00 73.04 O ATOM 0 H GLY A 13 -7.708 -3.832 -9.501 1.00 72.54 H new ATOM 0 HA2 GLY A 13 -8.832 -5.913 -9.833 1.00 72.50 H new ATOM 0 HA3 GLY A 13 -7.380 -6.591 -10.543 1.00 72.50 H new ATOM 174 N ASP A 14 -6.543 -7.490 -8.407 1.00 74.30 N ATOM 175 CA ASP A 14 -6.049 -8.071 -7.170 1.00 74.53 C ATOM 176 C ASP A 14 -4.858 -7.253 -6.667 1.00 74.35 C ATOM 177 O ASP A 14 -4.475 -7.359 -5.503 1.00 71.05 O ATOM 178 CB ASP A 14 -5.576 -9.510 -7.388 1.00 75.11 C ATOM 179 CG ASP A 14 -4.760 -10.103 -6.238 1.00 71.52 C ATOM 180 OD1 ASP A 14 -4.983 -9.779 -5.062 1.00 40.45 O ATOM 181 OD2 ASP A 14 -3.849 -10.945 -6.594 1.00 10.22 O ATOM 0 H ASP A 14 -6.259 -7.983 -9.253 1.00 74.30 H new ATOM 0 HA ASP A 14 -6.863 -8.065 -6.446 1.00 74.53 H new ATOM 0 HB2 ASP A 14 -6.448 -10.141 -7.558 1.00 75.11 H new ATOM 0 HB3 ASP A 14 -4.975 -9.545 -8.296 1.00 75.11 H new ATOM 187 N GLU A 15 -4.306 -6.456 -7.570 1.00 10.22 N ATOM 188 CA GLU A 15 -3.166 -5.620 -7.232 1.00 54.14 C ATOM 189 C GLU A 15 -3.595 -4.494 -6.289 1.00 24.22 C ATOM 190 O GLU A 15 -2.755 -3.758 -5.773 1.00 65.34 O ATOM 191 CB GLU A 15 -2.507 -5.057 -8.493 1.00 24.50 C ATOM 192 CG GLU A 15 -2.221 -6.169 -9.505 1.00 1.01 C ATOM 193 CD GLU A 15 -2.097 -5.603 -10.921 1.00 14.31 C ATOM 194 OE1 GLU A 15 -2.298 -4.377 -11.061 1.00 75.05 O ATOM 195 OE2 GLU A 15 -1.805 -6.408 -11.831 1.00 24.32 O ATOM 0 H GLU A 15 -4.626 -6.371 -8.535 1.00 10.22 H new ATOM 0 HA GLU A 15 -2.427 -6.236 -6.719 1.00 54.14 H new ATOM 0 HB2 GLU A 15 -3.158 -4.308 -8.944 1.00 24.50 H new ATOM 0 HB3 GLU A 15 -1.577 -4.553 -8.228 1.00 24.50 H new ATOM 0 HG2 GLU A 15 -1.300 -6.684 -9.234 1.00 1.01 H new ATOM 0 HG3 GLU A 15 -3.021 -6.909 -9.474 1.00 1.01 H new ATOM 202 N LEU A 16 -4.901 -4.396 -6.091 1.00 41.43 N ATOM 203 CA LEU A 16 -5.451 -3.372 -5.219 1.00 2.02 C ATOM 204 C LEU A 16 -6.042 -4.034 -3.973 1.00 1.04 C ATOM 205 O LEU A 16 -6.942 -3.483 -3.341 1.00 32.43 O ATOM 206 CB LEU A 16 -6.447 -2.497 -5.981 1.00 52.45 C ATOM 207 CG LEU A 16 -5.867 -1.657 -7.122 1.00 31.24 C ATOM 208 CD1 LEU A 16 -6.954 -1.270 -8.126 1.00 35.22 C ATOM 209 CD2 LEU A 16 -5.126 -0.433 -6.579 1.00 61.54 C ATOM 0 H LEU A 16 -5.595 -5.009 -6.519 1.00 41.43 H new ATOM 0 HA LEU A 16 -4.665 -2.698 -4.880 1.00 2.02 H new ATOM 0 HB2 LEU A 16 -7.227 -3.140 -6.390 1.00 52.45 H new ATOM 0 HB3 LEU A 16 -6.928 -1.825 -5.270 1.00 52.45 H new ATOM 0 HG LEU A 16 -5.137 -2.265 -7.657 1.00 31.24 H new ATOM 0 HD11 LEU A 16 -6.515 -0.674 -8.926 1.00 35.22 H new ATOM 0 HD12 LEU A 16 -7.398 -2.172 -8.547 1.00 35.22 H new ATOM 0 HD13 LEU A 16 -7.725 -0.688 -7.621 1.00 35.22 H new ATOM 0 HD21 LEU A 16 -4.724 0.147 -7.410 1.00 61.54 H new ATOM 0 HD22 LEU A 16 -5.816 0.186 -6.006 1.00 61.54 H new ATOM 0 HD23 LEU A 16 -4.309 -0.758 -5.934 1.00 61.54 H new ATOM 221 N SER A 17 -5.512 -5.206 -3.656 1.00 64.23 N ATOM 222 CA SER A 17 -5.975 -5.949 -2.497 1.00 34.12 C ATOM 223 C SER A 17 -5.181 -5.534 -1.257 1.00 42.20 C ATOM 224 O SER A 17 -5.648 -5.701 -0.131 1.00 42.34 O ATOM 225 CB SER A 17 -5.854 -7.457 -2.724 1.00 72.15 C ATOM 226 OG SER A 17 -4.547 -7.939 -2.424 1.00 51.01 O ATOM 0 H SER A 17 -4.765 -5.660 -4.182 1.00 64.23 H new ATOM 0 HA SER A 17 -7.028 -5.716 -2.341 1.00 34.12 H new ATOM 0 HB2 SER A 17 -6.583 -7.977 -2.103 1.00 72.15 H new ATOM 0 HB3 SER A 17 -6.096 -7.688 -3.761 1.00 72.15 H new ATOM 0 HG SER A 17 -4.013 -7.970 -3.245 1.00 51.01 H new ATOM 232 N GLY A 18 -3.994 -5.001 -1.506 1.00 4.24 N ATOM 233 CA GLY A 18 -3.130 -4.560 -0.423 1.00 64.45 C ATOM 234 C GLY A 18 -1.832 -5.371 -0.393 1.00 73.01 C ATOM 235 O GLY A 18 -1.858 -6.595 -0.512 1.00 50.01 O ATOM 0 H GLY A 18 -3.610 -4.864 -2.441 1.00 4.24 H new ATOM 0 HA2 GLY A 18 -2.899 -3.502 -0.545 1.00 64.45 H new ATOM 0 HA3 GLY A 18 -3.651 -4.665 0.529 1.00 64.45 H new ATOM 239 N THR A 19 -0.729 -4.656 -0.233 1.00 43.40 N ATOM 240 CA THR A 19 0.576 -5.293 -0.185 1.00 62.24 C ATOM 241 C THR A 19 1.361 -4.811 1.036 1.00 32.44 C ATOM 242 O THR A 19 0.923 -3.903 1.741 1.00 44.11 O ATOM 243 CB THR A 19 1.287 -5.016 -1.512 1.00 15.22 C ATOM 244 OG1 THR A 19 0.236 -5.016 -2.475 1.00 22.22 O ATOM 245 CG2 THR A 19 2.190 -6.172 -1.945 1.00 72.23 C ATOM 0 H THR A 19 -0.712 -3.641 -0.135 1.00 43.40 H new ATOM 0 HA THR A 19 0.484 -6.373 -0.068 1.00 62.24 H new ATOM 0 HB THR A 19 1.881 -4.106 -1.423 1.00 15.22 H new ATOM 0 HG1 THR A 19 0.540 -5.466 -3.291 1.00 22.22 H new ATOM 0 HG21 THR A 19 2.670 -5.924 -2.892 1.00 72.23 H new ATOM 0 HG22 THR A 19 2.953 -6.342 -1.185 1.00 72.23 H new ATOM 0 HG23 THR A 19 1.592 -7.075 -2.067 1.00 72.23 H new ATOM 253 N MET A 20 2.506 -5.442 1.250 1.00 3.23 N ATOM 254 CA MET A 20 3.356 -5.089 2.375 1.00 41.11 C ATOM 255 C MET A 20 4.714 -4.572 1.895 1.00 21.42 C ATOM 256 O MET A 20 5.356 -5.195 1.051 1.00 24.53 O ATOM 257 CB MET A 20 3.562 -6.317 3.264 1.00 10.44 C ATOM 258 CG MET A 20 2.224 -6.852 3.778 1.00 72.33 C ATOM 259 SD MET A 20 2.503 -8.169 4.950 1.00 74.11 S ATOM 260 CE MET A 20 0.953 -8.130 5.835 1.00 52.32 C ATOM 0 H MET A 20 2.865 -6.195 0.664 1.00 3.23 H new ATOM 0 HA MET A 20 2.867 -4.297 2.942 1.00 41.11 H new ATOM 0 HB2 MET A 20 4.077 -7.096 2.701 1.00 10.44 H new ATOM 0 HB3 MET A 20 4.202 -6.057 4.107 1.00 10.44 H new ATOM 0 HG2 MET A 20 1.659 -6.048 4.249 1.00 72.33 H new ATOM 0 HG3 MET A 20 1.624 -7.217 2.944 1.00 72.33 H new ATOM 0 HE1 MET A 20 0.958 -8.896 6.611 1.00 52.32 H new ATOM 0 HE2 MET A 20 0.820 -7.150 6.293 1.00 52.32 H new ATOM 0 HE3 MET A 20 0.133 -8.320 5.142 1.00 52.32 H new ATOM 270 N GLU A 21 5.111 -3.439 2.454 1.00 41.41 N ATOM 271 CA GLU A 21 6.381 -2.831 2.094 1.00 60.23 C ATOM 272 C GLU A 21 7.412 -3.060 3.201 1.00 70.32 C ATOM 273 O GLU A 21 7.174 -2.715 4.357 1.00 35.10 O ATOM 274 CB GLU A 21 6.212 -1.339 1.802 1.00 11.24 C ATOM 275 CG GLU A 21 7.555 -0.610 1.876 1.00 23.11 C ATOM 276 CD GLU A 21 7.393 0.874 1.540 1.00 21.15 C ATOM 277 OE1 GLU A 21 7.345 1.714 2.451 1.00 20.24 O ATOM 278 OE2 GLU A 21 7.317 1.143 0.281 1.00 24.01 O ATOM 0 H GLU A 21 4.576 -2.925 3.154 1.00 41.41 H new ATOM 0 HA GLU A 21 6.744 -3.307 1.183 1.00 60.23 H new ATOM 0 HB2 GLU A 21 5.776 -1.206 0.812 1.00 11.24 H new ATOM 0 HB3 GLU A 21 5.517 -0.901 2.518 1.00 11.24 H new ATOM 0 HG2 GLU A 21 7.976 -0.716 2.876 1.00 23.11 H new ATOM 0 HG3 GLU A 21 8.260 -1.069 1.183 1.00 23.11 H new ATOM 286 N TYR A 22 8.536 -3.641 2.808 1.00 60.23 N ATOM 287 CA TYR A 22 9.604 -3.920 3.752 1.00 22.43 C ATOM 288 C TYR A 22 10.859 -3.111 3.416 1.00 33.54 C ATOM 289 O TYR A 22 11.115 -2.812 2.251 1.00 21.22 O ATOM 290 CB TYR A 22 9.918 -5.411 3.605 1.00 2.43 C ATOM 291 CG TYR A 22 8.679 -6.307 3.567 1.00 11.22 C ATOM 292 CD1 TYR A 22 7.899 -6.358 2.429 1.00 21.35 C ATOM 293 CD2 TYR A 22 8.341 -7.064 4.670 1.00 15.24 C ATOM 294 CE1 TYR A 22 6.733 -7.202 2.394 1.00 53.14 C ATOM 295 CE2 TYR A 22 7.174 -7.907 4.635 1.00 60.45 C ATOM 296 CZ TYR A 22 6.428 -7.935 3.498 1.00 53.21 C ATOM 297 OH TYR A 22 5.326 -8.732 3.464 1.00 40.50 O ATOM 0 H TYR A 22 8.730 -3.926 1.848 1.00 60.23 H new ATOM 0 HA TYR A 22 9.300 -3.654 4.764 1.00 22.43 H new ATOM 0 HB2 TYR A 22 10.491 -5.563 2.691 1.00 2.43 H new ATOM 0 HB3 TYR A 22 10.553 -5.722 4.435 1.00 2.43 H new ATOM 0 HD1 TYR A 22 8.163 -5.765 1.566 1.00 21.35 H new ATOM 0 HD2 TYR A 22 8.952 -7.024 5.560 1.00 15.24 H new ATOM 0 HE1 TYR A 22 6.114 -7.252 1.510 1.00 53.14 H new ATOM 0 HE2 TYR A 22 6.897 -8.503 5.492 1.00 60.45 H new ATOM 0 HH TYR A 22 4.861 -8.684 4.325 1.00 40.50 H new ATOM 307 N LYS A 23 11.607 -2.781 4.458 1.00 2.43 N ATOM 308 CA LYS A 23 12.829 -2.012 4.288 1.00 33.14 C ATOM 309 C LYS A 23 14.034 -2.949 4.392 1.00 0.25 C ATOM 310 O LYS A 23 14.285 -3.529 5.448 1.00 54.22 O ATOM 311 CB LYS A 23 12.869 -0.845 5.277 1.00 25.21 C ATOM 312 CG LYS A 23 13.583 0.364 4.669 1.00 51.01 C ATOM 313 CD LYS A 23 14.184 1.252 5.760 1.00 11.13 C ATOM 314 CE LYS A 23 13.165 2.282 6.251 1.00 1.54 C ATOM 315 NZ LYS A 23 12.546 2.986 5.106 1.00 71.22 N ATOM 0 H LYS A 23 11.391 -3.032 5.423 1.00 2.43 H new ATOM 0 HA LYS A 23 12.861 -1.560 3.297 1.00 33.14 H new ATOM 0 HB2 LYS A 23 11.853 -0.568 5.560 1.00 25.21 H new ATOM 0 HB3 LYS A 23 13.381 -1.154 6.189 1.00 25.21 H new ATOM 0 HG2 LYS A 23 14.371 0.025 3.996 1.00 51.01 H new ATOM 0 HG3 LYS A 23 12.880 0.943 4.070 1.00 51.01 H new ATOM 0 HD2 LYS A 23 14.514 0.635 6.596 1.00 11.13 H new ATOM 0 HD3 LYS A 23 15.066 1.763 5.373 1.00 11.13 H new ATOM 0 HE2 LYS A 23 12.394 1.787 6.841 1.00 1.54 H new ATOM 0 HE3 LYS A 23 13.654 3.002 6.907 1.00 1.54 H new ATOM 0 HZ1 LYS A 23 12.252 3.939 5.402 1.00 71.22 H new ATOM 0 HZ2 LYS A 23 13.236 3.062 4.331 1.00 71.22 H new ATOM 0 HZ3 LYS A 23 11.715 2.453 4.779 1.00 71.22 H new ATOM 328 N LEU A 24 14.748 -3.067 3.283 1.00 64.40 N ATOM 329 CA LEU A 24 15.921 -3.924 3.236 1.00 4.31 C ATOM 330 C LEU A 24 17.178 -3.070 3.413 1.00 44.40 C ATOM 331 O LEU A 24 17.499 -2.246 2.558 1.00 52.23 O ATOM 332 CB LEU A 24 15.922 -4.762 1.956 1.00 43.41 C ATOM 333 CG LEU A 24 17.172 -5.609 1.710 1.00 60.30 C ATOM 334 CD1 LEU A 24 18.221 -4.823 0.922 1.00 64.12 C ATOM 335 CD2 LEU A 24 17.732 -6.154 3.025 1.00 25.22 C ATOM 0 H LEU A 24 14.537 -2.584 2.410 1.00 64.40 H new ATOM 0 HA LEU A 24 15.903 -4.640 4.058 1.00 4.31 H new ATOM 0 HB2 LEU A 24 15.057 -5.425 1.979 1.00 43.41 H new ATOM 0 HB3 LEU A 24 15.788 -4.092 1.107 1.00 43.41 H new ATOM 0 HG LEU A 24 16.889 -6.467 1.100 1.00 60.30 H new ATOM 0 HD11 LEU A 24 19.099 -5.448 0.761 1.00 64.12 H new ATOM 0 HD12 LEU A 24 17.806 -4.526 -0.041 1.00 64.12 H new ATOM 0 HD13 LEU A 24 18.507 -3.934 1.484 1.00 64.12 H new ATOM 0 HD21 LEU A 24 18.620 -6.753 2.822 1.00 25.22 H new ATOM 0 HD22 LEU A 24 17.996 -5.324 3.680 1.00 25.22 H new ATOM 0 HD23 LEU A 24 16.980 -6.775 3.511 1.00 25.22 H new ATOM 347 N ILE A 25 17.856 -3.296 4.529 1.00 45.44 N ATOM 348 CA ILE A 25 19.071 -2.557 4.829 1.00 63.04 C ATOM 349 C ILE A 25 20.263 -3.516 4.811 1.00 4.11 C ATOM 350 O ILE A 25 20.276 -4.509 5.536 1.00 22.43 O ATOM 351 CB ILE A 25 18.920 -1.788 6.142 1.00 10.25 C ATOM 352 CG1 ILE A 25 17.796 -0.754 6.046 1.00 2.12 C ATOM 353 CG2 ILE A 25 20.248 -1.154 6.563 1.00 54.13 C ATOM 354 CD1 ILE A 25 17.123 -0.548 7.405 1.00 51.14 C ATOM 0 H ILE A 25 17.587 -3.980 5.236 1.00 45.44 H new ATOM 0 HA ILE A 25 19.257 -1.802 4.065 1.00 63.04 H new ATOM 0 HB ILE A 25 18.640 -2.496 6.922 1.00 10.25 H new ATOM 0 HG12 ILE A 25 18.198 0.194 5.688 1.00 2.12 H new ATOM 0 HG13 ILE A 25 17.056 -1.082 5.316 1.00 2.12 H new ATOM 0 HG21 ILE A 25 20.112 -0.613 7.500 1.00 54.13 H new ATOM 0 HG22 ILE A 25 20.997 -1.934 6.700 1.00 54.13 H new ATOM 0 HG23 ILE A 25 20.582 -0.462 5.790 1.00 54.13 H new ATOM 0 HD11 ILE A 25 16.328 0.192 7.309 1.00 51.14 H new ATOM 0 HD12 ILE A 25 16.701 -1.492 7.749 1.00 51.14 H new ATOM 0 HD13 ILE A 25 17.860 -0.196 8.127 1.00 51.14 H new ATOM 366 N LEU A 26 21.236 -3.185 3.975 1.00 3.41 N ATOM 367 CA LEU A 26 22.430 -4.004 3.854 1.00 42.14 C ATOM 368 C LEU A 26 23.628 -3.240 4.422 1.00 33.13 C ATOM 369 O LEU A 26 24.070 -2.250 3.841 1.00 30.32 O ATOM 370 CB LEU A 26 22.622 -4.459 2.406 1.00 65.24 C ATOM 371 CG LEU A 26 21.348 -4.830 1.644 1.00 1.51 C ATOM 372 CD1 LEU A 26 20.856 -3.656 0.795 1.00 43.20 C ATOM 373 CD2 LEU A 26 21.557 -6.094 0.808 1.00 13.12 C ATOM 0 H LEU A 26 21.222 -2.361 3.375 1.00 3.41 H new ATOM 0 HA LEU A 26 22.327 -4.917 4.441 1.00 42.14 H new ATOM 0 HB2 LEU A 26 23.129 -3.663 1.860 1.00 65.24 H new ATOM 0 HB3 LEU A 26 23.288 -5.322 2.403 1.00 65.24 H new ATOM 0 HG LEU A 26 20.567 -5.051 2.372 1.00 1.51 H new ATOM 0 HD11 LEU A 26 19.949 -3.946 0.264 1.00 43.20 H new ATOM 0 HD12 LEU A 26 20.641 -2.805 1.441 1.00 43.20 H new ATOM 0 HD13 LEU A 26 21.626 -3.380 0.075 1.00 43.20 H new ATOM 0 HD21 LEU A 26 20.636 -6.335 0.277 1.00 13.12 H new ATOM 0 HD22 LEU A 26 22.358 -5.926 0.088 1.00 13.12 H new ATOM 0 HD23 LEU A 26 21.826 -6.923 1.463 1.00 13.12 H new ATOM 385 N ASN A 27 24.118 -3.729 5.552 1.00 45.13 N ATOM 386 CA ASN A 27 25.256 -3.105 6.205 1.00 2.35 C ATOM 387 C ASN A 27 26.507 -3.951 5.960 1.00 42.30 C ATOM 388 O ASN A 27 26.712 -4.968 6.620 1.00 70.42 O ATOM 389 CB ASN A 27 25.039 -3.010 7.717 1.00 51.51 C ATOM 390 CG ASN A 27 24.498 -1.633 8.108 1.00 45.55 C ATOM 391 OD1 ASN A 27 25.030 -0.600 7.734 1.00 0.45 O ATOM 392 ND2 ASN A 27 23.415 -1.675 8.878 1.00 70.24 N ATOM 0 H ASN A 27 23.748 -4.550 6.032 1.00 45.13 H new ATOM 0 HA ASN A 27 25.373 -2.103 5.793 1.00 2.35 H new ATOM 0 HB2 ASN A 27 24.341 -3.783 8.037 1.00 51.51 H new ATOM 0 HB3 ASN A 27 25.980 -3.196 8.235 1.00 51.51 H new ATOM 0 HD21 ASN A 27 22.979 -0.808 9.192 1.00 70.24 H new ATOM 0 HD22 ASN A 27 23.021 -2.574 9.155 1.00 70.24 H new ATOM 399 N GLY A 28 27.311 -3.498 5.009 1.00 23.32 N ATOM 400 CA GLY A 28 28.537 -4.201 4.668 1.00 13.14 C ATOM 401 C GLY A 28 29.705 -3.224 4.518 1.00 20.42 C ATOM 402 O GLY A 28 29.499 -2.038 4.267 1.00 32.02 O ATOM 0 H GLY A 28 27.138 -2.653 4.464 1.00 23.32 H new ATOM 0 HA2 GLY A 28 28.768 -4.933 5.442 1.00 13.14 H new ATOM 0 HA3 GLY A 28 28.398 -4.753 3.738 1.00 13.14 H new ATOM 406 N LYS A 29 30.906 -3.760 4.678 1.00 3.33 N ATOM 407 CA LYS A 29 32.108 -2.950 4.564 1.00 73.43 C ATOM 408 C LYS A 29 32.317 -2.561 3.099 1.00 11.51 C ATOM 409 O LYS A 29 32.764 -1.453 2.806 1.00 41.13 O ATOM 410 CB LYS A 29 33.304 -3.676 5.184 1.00 54.21 C ATOM 411 CG LYS A 29 32.939 -4.268 6.547 1.00 40.02 C ATOM 412 CD LYS A 29 32.354 -3.198 7.471 1.00 44.11 C ATOM 413 CE LYS A 29 30.829 -3.154 7.362 1.00 11.34 C ATOM 414 NZ LYS A 29 30.225 -2.823 8.673 1.00 64.42 N ATOM 0 H LYS A 29 31.073 -4.745 4.886 1.00 3.33 H new ATOM 0 HA LYS A 29 31.999 -2.024 5.129 1.00 73.43 H new ATOM 0 HB2 LYS A 29 33.638 -4.470 4.516 1.00 54.21 H new ATOM 0 HB3 LYS A 29 34.137 -2.982 5.296 1.00 54.21 H new ATOM 0 HG2 LYS A 29 32.217 -5.074 6.416 1.00 40.02 H new ATOM 0 HG3 LYS A 29 33.825 -4.705 7.007 1.00 40.02 H new ATOM 0 HD2 LYS A 29 32.643 -3.405 8.501 1.00 44.11 H new ATOM 0 HD3 LYS A 29 32.769 -2.224 7.213 1.00 44.11 H new ATOM 0 HE2 LYS A 29 30.533 -2.412 6.621 1.00 11.34 H new ATOM 0 HE3 LYS A 29 30.455 -4.118 7.016 1.00 11.34 H new ATOM 0 HZ1 LYS A 29 29.189 -2.797 8.581 1.00 64.42 H new ATOM 0 HZ2 LYS A 29 30.493 -3.546 9.371 1.00 64.42 H new ATOM 0 HZ3 LYS A 29 30.568 -1.893 8.988 1.00 64.42 H new ATOM 427 N THR A 30 31.984 -3.493 2.218 1.00 14.45 N ATOM 428 CA THR A 30 32.129 -3.260 0.792 1.00 64.35 C ATOM 429 C THR A 30 30.774 -2.931 0.164 1.00 74.44 C ATOM 430 O THR A 30 30.710 -2.295 -0.887 1.00 1.31 O ATOM 431 CB THR A 30 32.800 -4.491 0.178 1.00 5.14 C ATOM 432 OG1 THR A 30 33.073 -4.104 -1.166 1.00 32.32 O ATOM 433 CG2 THR A 30 31.840 -5.673 0.039 1.00 74.45 C ATOM 0 H THR A 30 31.614 -4.411 2.465 1.00 14.45 H new ATOM 0 HA THR A 30 32.761 -2.394 0.595 1.00 64.35 H new ATOM 0 HB THR A 30 33.650 -4.785 0.793 1.00 5.14 H new ATOM 0 HG1 THR A 30 33.510 -4.844 -1.637 1.00 32.32 H new ATOM 0 HG21 THR A 30 32.367 -6.520 -0.402 1.00 74.45 H new ATOM 0 HG22 THR A 30 31.462 -5.953 1.023 1.00 74.45 H new ATOM 0 HG23 THR A 30 31.006 -5.391 -0.603 1.00 74.45 H new ATOM 441 N LEU A 31 29.723 -3.380 0.834 1.00 75.33 N ATOM 442 CA LEU A 31 28.372 -3.142 0.355 1.00 53.35 C ATOM 443 C LEU A 31 27.519 -2.593 1.500 1.00 55.53 C ATOM 444 O LEU A 31 27.122 -3.337 2.395 1.00 4.44 O ATOM 445 CB LEU A 31 27.799 -4.407 -0.287 1.00 22.43 C ATOM 446 CG LEU A 31 27.027 -4.207 -1.592 1.00 74.51 C ATOM 447 CD1 LEU A 31 26.243 -2.894 -1.570 1.00 12.14 C ATOM 448 CD2 LEU A 31 27.960 -4.297 -2.801 1.00 22.20 C ATOM 0 H LEU A 31 29.780 -3.908 1.705 1.00 75.33 H new ATOM 0 HA LEU A 31 28.375 -2.387 -0.432 1.00 53.35 H new ATOM 0 HB2 LEU A 31 28.620 -5.098 -0.476 1.00 22.43 H new ATOM 0 HB3 LEU A 31 27.137 -4.888 0.433 1.00 22.43 H new ATOM 0 HG LEU A 31 26.300 -5.014 -1.685 1.00 74.51 H new ATOM 0 HD11 LEU A 31 25.703 -2.777 -2.510 1.00 12.14 H new ATOM 0 HD12 LEU A 31 25.533 -2.908 -0.743 1.00 12.14 H new ATOM 0 HD13 LEU A 31 26.933 -2.060 -1.442 1.00 12.14 H new ATOM 0 HD21 LEU A 31 27.385 -4.151 -3.716 1.00 22.20 H new ATOM 0 HD22 LEU A 31 28.727 -3.526 -2.727 1.00 22.20 H new ATOM 0 HD23 LEU A 31 28.434 -5.278 -2.823 1.00 22.20 H new ATOM 460 N LYS A 32 27.261 -1.295 1.433 1.00 13.33 N ATOM 461 CA LYS A 32 26.462 -0.637 2.453 1.00 32.25 C ATOM 462 C LYS A 32 25.423 0.262 1.781 1.00 42.54 C ATOM 463 O LYS A 32 25.774 1.140 0.993 1.00 32.01 O ATOM 464 CB LYS A 32 27.362 0.100 3.447 1.00 63.31 C ATOM 465 CG LYS A 32 28.631 0.611 2.762 1.00 63.02 C ATOM 466 CD LYS A 32 29.602 1.210 3.782 1.00 72.31 C ATOM 467 CE LYS A 32 31.052 1.043 3.323 1.00 73.42 C ATOM 468 NZ LYS A 32 31.976 1.162 4.472 1.00 4.52 N ATOM 0 H LYS A 32 27.591 -0.681 0.688 1.00 13.33 H new ATOM 0 HA LYS A 32 25.914 -1.374 3.040 1.00 32.25 H new ATOM 0 HB2 LYS A 32 26.818 0.937 3.884 1.00 63.31 H new ATOM 0 HB3 LYS A 32 27.630 -0.568 4.265 1.00 63.31 H new ATOM 0 HG2 LYS A 32 29.116 -0.207 2.230 1.00 63.02 H new ATOM 0 HG3 LYS A 32 28.369 1.364 2.018 1.00 63.02 H new ATOM 0 HD2 LYS A 32 29.381 2.268 3.922 1.00 72.31 H new ATOM 0 HD3 LYS A 32 29.465 0.725 4.748 1.00 72.31 H new ATOM 0 HE2 LYS A 32 31.179 0.071 2.846 1.00 73.42 H new ATOM 0 HE3 LYS A 32 31.292 1.799 2.576 1.00 73.42 H new ATOM 0 HZ1 LYS A 32 32.956 1.046 4.143 1.00 4.52 H new ATOM 0 HZ2 LYS A 32 31.866 2.099 4.910 1.00 4.52 H new ATOM 0 HZ3 LYS A 32 31.756 0.425 5.172 1.00 4.52 H new ATOM 481 N GLY A 33 24.166 0.013 2.115 1.00 13.44 N ATOM 482 CA GLY A 33 23.074 0.790 1.553 1.00 33.13 C ATOM 483 C GLY A 33 21.725 0.312 2.095 1.00 21.14 C ATOM 484 O GLY A 33 21.667 -0.637 2.876 1.00 71.35 O ATOM 0 H GLY A 33 23.879 -0.716 2.768 1.00 13.44 H new ATOM 0 HA2 GLY A 33 23.213 1.844 1.792 1.00 33.13 H new ATOM 0 HA3 GLY A 33 23.084 0.705 0.466 1.00 33.13 H new ATOM 488 N GLU A 34 20.674 0.991 1.661 1.00 42.55 N ATOM 489 CA GLU A 34 19.330 0.648 2.092 1.00 10.14 C ATOM 490 C GLU A 34 18.389 0.573 0.889 1.00 55.44 C ATOM 491 O GLU A 34 18.750 0.984 -0.213 1.00 40.00 O ATOM 492 CB GLU A 34 18.815 1.648 3.130 1.00 62.12 C ATOM 493 CG GLU A 34 18.342 2.939 2.459 1.00 11.22 C ATOM 494 CD GLU A 34 18.657 4.157 3.330 1.00 22.24 C ATOM 495 OE1 GLU A 34 19.689 4.814 3.128 1.00 62.43 O ATOM 496 OE2 GLU A 34 17.784 4.413 4.245 1.00 5.41 O ATOM 0 H GLU A 34 20.726 1.778 1.014 1.00 42.55 H new ATOM 0 HA GLU A 34 19.361 -0.333 2.565 1.00 10.14 H new ATOM 0 HB2 GLU A 34 17.993 1.204 3.692 1.00 62.12 H new ATOM 0 HB3 GLU A 34 19.605 1.874 3.846 1.00 62.12 H new ATOM 0 HG2 GLU A 34 18.826 3.047 1.488 1.00 11.22 H new ATOM 0 HG3 GLU A 34 17.269 2.886 2.276 1.00 11.22 H new ATOM 504 N THR A 35 17.199 0.046 1.140 1.00 42.42 N ATOM 505 CA THR A 35 16.203 -0.087 0.090 1.00 21.33 C ATOM 506 C THR A 35 14.895 -0.635 0.664 1.00 73.14 C ATOM 507 O THR A 35 14.810 -0.929 1.855 1.00 14.31 O ATOM 508 CB THR A 35 16.796 -0.963 -1.015 1.00 71.22 C ATOM 509 OG1 THR A 35 15.679 -1.286 -1.839 1.00 51.20 O ATOM 510 CG2 THR A 35 17.278 -2.318 -0.494 1.00 32.44 C ATOM 0 H THR A 35 16.902 -0.294 2.055 1.00 42.42 H new ATOM 0 HA THR A 35 15.952 0.881 -0.343 1.00 21.33 H new ATOM 0 HB THR A 35 17.628 -0.439 -1.486 1.00 71.22 H new ATOM 0 HG1 THR A 35 15.974 -1.852 -2.583 1.00 51.20 H new ATOM 0 HG21 THR A 35 17.689 -2.900 -1.319 1.00 32.44 H new ATOM 0 HG22 THR A 35 18.049 -2.164 0.261 1.00 32.44 H new ATOM 0 HG23 THR A 35 16.440 -2.857 -0.053 1.00 32.44 H new ATOM 518 N THR A 36 13.907 -0.756 -0.211 1.00 63.15 N ATOM 519 CA THR A 36 12.607 -1.263 0.193 1.00 61.43 C ATOM 520 C THR A 36 11.965 -2.055 -0.948 1.00 65.43 C ATOM 521 O THR A 36 12.294 -1.847 -2.115 1.00 50.51 O ATOM 522 CB THR A 36 11.761 -0.077 0.660 1.00 62.31 C ATOM 523 OG1 THR A 36 11.324 0.536 -0.550 1.00 64.41 O ATOM 524 CG2 THR A 36 12.598 1.005 1.345 1.00 41.11 C ATOM 0 H THR A 36 13.981 -0.511 -1.198 1.00 63.15 H new ATOM 0 HA THR A 36 12.697 -1.964 1.023 1.00 61.43 H new ATOM 0 HB THR A 36 10.991 -0.429 1.346 1.00 62.31 H new ATOM 0 HG1 THR A 36 10.767 1.314 -0.340 1.00 64.41 H new ATOM 0 HG21 THR A 36 11.949 1.824 1.657 1.00 41.11 H new ATOM 0 HG22 THR A 36 13.095 0.582 2.218 1.00 41.11 H new ATOM 0 HG23 THR A 36 13.347 1.381 0.648 1.00 41.11 H new ATOM 532 N THR A 37 11.062 -2.948 -0.571 1.00 52.13 N ATOM 533 CA THR A 37 10.371 -3.772 -1.548 1.00 61.25 C ATOM 534 C THR A 37 8.941 -4.059 -1.088 1.00 74.31 C ATOM 535 O THR A 37 8.662 -4.079 0.110 1.00 43.21 O ATOM 536 CB THR A 37 11.203 -5.037 -1.773 1.00 13.24 C ATOM 537 OG1 THR A 37 10.538 -5.704 -2.842 1.00 20.54 O ATOM 538 CG2 THR A 37 11.104 -6.017 -0.602 1.00 63.42 C ATOM 0 H THR A 37 10.793 -3.119 0.398 1.00 52.13 H new ATOM 0 HA THR A 37 10.274 -3.255 -2.503 1.00 61.25 H new ATOM 0 HB THR A 37 12.246 -4.763 -1.930 1.00 13.24 H new ATOM 0 HG1 THR A 37 10.795 -6.650 -2.848 1.00 20.54 H new ATOM 0 HG21 THR A 37 11.712 -6.897 -0.812 1.00 63.42 H new ATOM 0 HG22 THR A 37 11.464 -5.535 0.307 1.00 63.42 H new ATOM 0 HG23 THR A 37 10.065 -6.318 -0.466 1.00 63.42 H new ATOM 546 N CYS A 38 8.071 -4.275 -2.064 1.00 61.12 N ATOM 547 CA CYS A 38 6.676 -4.560 -1.774 1.00 61.32 C ATOM 548 C CYS A 38 6.395 -6.016 -2.151 1.00 22.33 C ATOM 549 O CYS A 38 6.786 -6.470 -3.225 1.00 54.34 O ATOM 550 CB CYS A 38 5.738 -3.592 -2.499 1.00 25.34 C ATOM 551 SG CYS A 38 5.436 -2.015 -1.621 1.00 21.42 S ATOM 0 H CYS A 38 8.305 -4.258 -3.057 1.00 61.12 H new ATOM 0 HA CYS A 38 6.487 -4.418 -0.710 1.00 61.32 H new ATOM 0 HB2 CYS A 38 6.155 -3.371 -3.481 1.00 25.34 H new ATOM 0 HB3 CYS A 38 4.782 -4.089 -2.664 1.00 25.34 H new ATOM 556 N ALA A 39 5.720 -6.709 -1.245 1.00 41.30 N ATOM 557 CA ALA A 39 5.382 -8.104 -1.469 1.00 24.23 C ATOM 558 C ALA A 39 4.045 -8.415 -0.793 1.00 24.40 C ATOM 559 O ALA A 39 3.782 -7.949 0.314 1.00 22.35 O ATOM 560 CB ALA A 39 6.517 -8.993 -0.954 1.00 54.12 C ATOM 0 H ALA A 39 5.398 -6.330 -0.354 1.00 41.30 H new ATOM 0 HA ALA A 39 5.267 -8.305 -2.534 1.00 24.23 H new ATOM 0 HB1 ALA A 39 6.264 -10.040 -1.122 1.00 54.12 H new ATOM 0 HB2 ALA A 39 7.438 -8.752 -1.486 1.00 54.12 H new ATOM 0 HB3 ALA A 39 6.659 -8.821 0.113 1.00 54.12 H new ATOM 566 N VAL A 40 3.236 -9.201 -1.488 1.00 64.30 N ATOM 567 CA VAL A 40 1.933 -9.580 -0.969 1.00 61.41 C ATOM 568 C VAL A 40 2.118 -10.501 0.239 1.00 1.30 C ATOM 569 O VAL A 40 1.251 -10.571 1.109 1.00 4.20 O ATOM 570 CB VAL A 40 1.092 -10.213 -2.079 1.00 55.03 C ATOM 571 CG1 VAL A 40 0.516 -9.142 -3.009 1.00 21.54 C ATOM 572 CG2 VAL A 40 1.906 -11.242 -2.866 1.00 0.11 C ATOM 0 H VAL A 40 3.458 -9.586 -2.406 1.00 64.30 H new ATOM 0 HA VAL A 40 1.388 -8.700 -0.627 1.00 61.41 H new ATOM 0 HB VAL A 40 0.257 -10.734 -1.610 1.00 55.03 H new ATOM 0 HG11 VAL A 40 -0.078 -9.619 -3.789 1.00 21.54 H new ATOM 0 HG12 VAL A 40 -0.116 -8.464 -2.436 1.00 21.54 H new ATOM 0 HG13 VAL A 40 1.331 -8.580 -3.465 1.00 21.54 H new ATOM 0 HG21 VAL A 40 1.284 -11.676 -3.649 1.00 0.11 H new ATOM 0 HG22 VAL A 40 2.770 -10.754 -3.318 1.00 0.11 H new ATOM 0 HG23 VAL A 40 2.245 -12.030 -2.193 1.00 0.11 H new ATOM 582 N ASP A 41 3.253 -11.184 0.254 1.00 3.30 N ATOM 583 CA ASP A 41 3.563 -12.097 1.341 1.00 1.21 C ATOM 584 C ASP A 41 5.011 -11.882 1.785 1.00 45.12 C ATOM 585 O ASP A 41 5.885 -11.619 0.959 1.00 13.45 O ATOM 586 CB ASP A 41 3.416 -13.553 0.896 1.00 62.12 C ATOM 587 CG ASP A 41 1.999 -13.966 0.491 1.00 5.14 C ATOM 588 OD1 ASP A 41 1.248 -14.539 1.294 1.00 54.02 O ATOM 589 OD2 ASP A 41 1.671 -13.672 -0.721 1.00 63.01 O ATOM 0 H ASP A 41 3.969 -11.123 -0.469 1.00 3.30 H new ATOM 0 HA ASP A 41 2.869 -11.898 2.157 1.00 1.21 H new ATOM 0 HB2 ASP A 41 4.084 -13.729 0.053 1.00 62.12 H new ATOM 0 HB3 ASP A 41 3.749 -14.200 1.707 1.00 62.12 H new ATOM 595 N ALA A 42 5.222 -12.002 3.087 1.00 32.33 N ATOM 596 CA ALA A 42 6.549 -11.824 3.651 1.00 63.54 C ATOM 597 C ALA A 42 7.510 -12.828 3.009 1.00 35.10 C ATOM 598 O ALA A 42 8.724 -12.637 3.039 1.00 22.14 O ATOM 599 CB ALA A 42 6.482 -11.972 5.172 1.00 25.20 C ATOM 0 H ALA A 42 4.495 -12.221 3.769 1.00 32.33 H new ATOM 0 HA ALA A 42 6.926 -10.824 3.437 1.00 63.54 H new ATOM 0 HB1 ALA A 42 7.478 -11.838 5.595 1.00 25.20 H new ATOM 0 HB2 ALA A 42 5.810 -11.218 5.582 1.00 25.20 H new ATOM 0 HB3 ALA A 42 6.111 -12.965 5.425 1.00 25.20 H new ATOM 605 N ALA A 43 6.928 -13.876 2.443 1.00 5.22 N ATOM 606 CA ALA A 43 7.717 -14.910 1.795 1.00 4.23 C ATOM 607 C ALA A 43 8.377 -14.332 0.542 1.00 41.43 C ATOM 608 O ALA A 43 9.529 -14.643 0.242 1.00 74.40 O ATOM 609 CB ALA A 43 6.825 -16.112 1.482 1.00 33.44 C ATOM 0 H ALA A 43 5.920 -14.031 2.420 1.00 5.22 H new ATOM 0 HA ALA A 43 8.511 -15.257 2.456 1.00 4.23 H new ATOM 0 HB1 ALA A 43 7.417 -16.888 0.996 1.00 33.44 H new ATOM 0 HB2 ALA A 43 6.404 -16.504 2.408 1.00 33.44 H new ATOM 0 HB3 ALA A 43 6.017 -15.803 0.819 1.00 33.44 H new ATOM 615 N THR A 44 7.619 -13.499 -0.157 1.00 31.51 N ATOM 616 CA THR A 44 8.116 -12.875 -1.371 1.00 54.12 C ATOM 617 C THR A 44 9.142 -11.792 -1.032 1.00 55.35 C ATOM 618 O THR A 44 10.185 -11.696 -1.677 1.00 72.40 O ATOM 619 CB THR A 44 6.914 -12.349 -2.158 1.00 15.42 C ATOM 620 OG1 THR A 44 6.528 -13.447 -2.979 1.00 63.25 O ATOM 621 CG2 THR A 44 7.300 -11.255 -3.155 1.00 51.34 C ATOM 0 H THR A 44 6.665 -13.242 0.095 1.00 31.51 H new ATOM 0 HA THR A 44 8.644 -13.594 -1.998 1.00 54.12 H new ATOM 0 HB THR A 44 6.168 -11.961 -1.464 1.00 15.42 H new ATOM 0 HG1 THR A 44 5.753 -13.193 -3.522 1.00 63.25 H new ATOM 0 HG21 THR A 44 6.411 -10.917 -3.687 1.00 51.34 H new ATOM 0 HG22 THR A 44 7.744 -10.415 -2.620 1.00 51.34 H new ATOM 0 HG23 THR A 44 8.021 -11.652 -3.870 1.00 51.34 H new ATOM 629 N ALA A 45 8.809 -11.002 -0.022 1.00 23.34 N ATOM 630 CA ALA A 45 9.689 -9.929 0.411 1.00 73.44 C ATOM 631 C ALA A 45 10.976 -10.529 0.980 1.00 60.10 C ATOM 632 O ALA A 45 12.060 -9.983 0.782 1.00 1.32 O ATOM 633 CB ALA A 45 8.958 -9.047 1.425 1.00 30.50 C ATOM 0 H ALA A 45 7.942 -11.083 0.509 1.00 23.34 H new ATOM 0 HA ALA A 45 9.966 -9.296 -0.432 1.00 73.44 H new ATOM 0 HB1 ALA A 45 9.618 -8.242 1.750 1.00 30.50 H new ATOM 0 HB2 ALA A 45 8.068 -8.622 0.962 1.00 30.50 H new ATOM 0 HB3 ALA A 45 8.667 -9.648 2.287 1.00 30.50 H new ATOM 639 N GLU A 46 10.814 -11.645 1.676 1.00 70.04 N ATOM 640 CA GLU A 46 11.950 -12.325 2.275 1.00 53.10 C ATOM 641 C GLU A 46 12.854 -12.908 1.187 1.00 10.21 C ATOM 642 O GLU A 46 14.068 -12.713 1.214 1.00 41.21 O ATOM 643 CB GLU A 46 11.487 -13.414 3.245 1.00 3.22 C ATOM 644 CG GLU A 46 12.672 -14.002 4.014 1.00 10.25 C ATOM 645 CD GLU A 46 12.193 -14.851 5.193 1.00 32.24 C ATOM 646 OE1 GLU A 46 11.534 -14.330 6.105 1.00 34.33 O ATOM 647 OE2 GLU A 46 12.528 -16.096 5.140 1.00 15.12 O ATOM 0 H GLU A 46 9.913 -12.095 1.838 1.00 70.04 H new ATOM 0 HA GLU A 46 12.526 -11.596 2.846 1.00 53.10 H new ATOM 0 HB2 GLU A 46 10.764 -12.998 3.946 1.00 3.22 H new ATOM 0 HB3 GLU A 46 10.978 -14.205 2.694 1.00 3.22 H new ATOM 0 HG2 GLU A 46 13.278 -14.612 3.344 1.00 10.25 H new ATOM 0 HG3 GLU A 46 13.310 -13.197 4.377 1.00 10.25 H new ATOM 655 N LYS A 47 12.227 -13.612 0.256 1.00 43.42 N ATOM 656 CA LYS A 47 12.960 -14.224 -0.839 1.00 63.31 C ATOM 657 C LYS A 47 13.718 -13.141 -1.609 1.00 3.11 C ATOM 658 O LYS A 47 14.813 -13.385 -2.115 1.00 55.43 O ATOM 659 CB LYS A 47 12.020 -15.057 -1.714 1.00 5.44 C ATOM 660 CG LYS A 47 11.549 -14.255 -2.929 1.00 34.15 C ATOM 661 CD LYS A 47 10.217 -14.792 -3.456 1.00 34.20 C ATOM 662 CE LYS A 47 10.442 -15.854 -4.534 1.00 40.25 C ATOM 663 NZ LYS A 47 10.694 -15.215 -5.846 1.00 21.14 N ATOM 0 H LYS A 47 11.220 -13.772 0.237 1.00 43.42 H new ATOM 0 HA LYS A 47 13.704 -14.922 -0.455 1.00 63.31 H new ATOM 0 HB2 LYS A 47 12.531 -15.961 -2.046 1.00 5.44 H new ATOM 0 HB3 LYS A 47 11.158 -15.376 -1.128 1.00 5.44 H new ATOM 0 HG2 LYS A 47 11.440 -13.205 -2.657 1.00 34.15 H new ATOM 0 HG3 LYS A 47 12.302 -14.304 -3.716 1.00 34.15 H new ATOM 0 HD2 LYS A 47 9.642 -15.219 -2.634 1.00 34.20 H new ATOM 0 HD3 LYS A 47 9.627 -13.972 -3.866 1.00 34.20 H new ATOM 0 HE2 LYS A 47 11.288 -16.484 -4.261 1.00 40.25 H new ATOM 0 HE3 LYS A 47 9.569 -16.504 -4.601 1.00 40.25 H new ATOM 0 HZ1 LYS A 47 10.845 -15.950 -6.567 1.00 21.14 H new ATOM 0 HZ2 LYS A 47 9.874 -14.632 -6.112 1.00 21.14 H new ATOM 0 HZ3 LYS A 47 11.540 -14.614 -5.782 1.00 21.14 H new ATOM 676 N VAL A 48 13.106 -11.967 -1.673 1.00 25.52 N ATOM 677 CA VAL A 48 13.710 -10.846 -2.372 1.00 51.13 C ATOM 678 C VAL A 48 14.858 -10.284 -1.532 1.00 21.15 C ATOM 679 O VAL A 48 15.904 -9.920 -2.067 1.00 11.20 O ATOM 680 CB VAL A 48 12.643 -9.800 -2.702 1.00 42.23 C ATOM 681 CG1 VAL A 48 13.275 -8.546 -3.311 1.00 75.21 C ATOM 682 CG2 VAL A 48 11.574 -10.381 -3.630 1.00 11.04 C ATOM 0 H VAL A 48 12.198 -11.768 -1.252 1.00 25.52 H new ATOM 0 HA VAL A 48 14.133 -11.172 -3.322 1.00 51.13 H new ATOM 0 HB VAL A 48 12.157 -9.512 -1.770 1.00 42.23 H new ATOM 0 HG11 VAL A 48 12.495 -7.818 -3.536 1.00 75.21 H new ATOM 0 HG12 VAL A 48 13.981 -8.113 -2.602 1.00 75.21 H new ATOM 0 HG13 VAL A 48 13.799 -8.812 -4.229 1.00 75.21 H new ATOM 0 HG21 VAL A 48 10.828 -9.617 -3.849 1.00 11.04 H new ATOM 0 HG22 VAL A 48 12.039 -10.711 -4.559 1.00 11.04 H new ATOM 0 HG23 VAL A 48 11.093 -11.230 -3.144 1.00 11.04 H new ATOM 692 N PHE A 49 14.624 -10.232 -0.228 1.00 44.45 N ATOM 693 CA PHE A 49 15.626 -9.720 0.692 1.00 61.44 C ATOM 694 C PHE A 49 16.858 -10.627 0.720 1.00 62.11 C ATOM 695 O PHE A 49 17.986 -10.145 0.817 1.00 32.43 O ATOM 696 CB PHE A 49 14.989 -9.703 2.082 1.00 15.32 C ATOM 697 CG PHE A 49 16.000 -9.657 3.230 1.00 74.13 C ATOM 698 CD1 PHE A 49 17.175 -8.991 3.074 1.00 11.24 C ATOM 699 CD2 PHE A 49 15.723 -10.283 4.405 1.00 12.11 C ATOM 700 CE1 PHE A 49 18.113 -8.948 4.139 1.00 22.45 C ATOM 701 CE2 PHE A 49 16.661 -10.241 5.470 1.00 1.41 C ATOM 702 CZ PHE A 49 17.836 -9.574 5.315 1.00 64.32 C ATOM 0 H PHE A 49 13.756 -10.536 0.213 1.00 44.45 H new ATOM 0 HA PHE A 49 15.946 -8.726 0.379 1.00 61.44 H new ATOM 0 HB2 PHE A 49 14.330 -8.838 2.158 1.00 15.32 H new ATOM 0 HB3 PHE A 49 14.366 -10.590 2.196 1.00 15.32 H new ATOM 0 HD1 PHE A 49 17.395 -8.495 2.140 1.00 11.24 H new ATOM 0 HD2 PHE A 49 14.790 -10.812 4.528 1.00 12.11 H new ATOM 0 HE1 PHE A 49 19.046 -8.419 4.016 1.00 22.45 H new ATOM 0 HE2 PHE A 49 16.441 -10.739 6.403 1.00 1.41 H new ATOM 0 HZ PHE A 49 18.549 -9.541 6.125 1.00 64.32 H new ATOM 712 N LYS A 50 16.601 -11.924 0.633 1.00 41.10 N ATOM 713 CA LYS A 50 17.675 -12.902 0.647 1.00 23.44 C ATOM 714 C LYS A 50 18.442 -12.832 -0.675 1.00 15.30 C ATOM 715 O LYS A 50 19.653 -13.040 -0.706 1.00 45.51 O ATOM 716 CB LYS A 50 17.127 -14.295 0.967 1.00 4.20 C ATOM 717 CG LYS A 50 16.319 -14.281 2.266 1.00 52.01 C ATOM 718 CD LYS A 50 17.210 -14.593 3.470 1.00 71.32 C ATOM 719 CE LYS A 50 16.648 -13.963 4.746 1.00 62.32 C ATOM 720 NZ LYS A 50 17.064 -14.741 5.934 1.00 30.13 N ATOM 0 H LYS A 50 15.664 -12.320 0.553 1.00 41.10 H new ATOM 0 HA LYS A 50 18.387 -12.674 1.441 1.00 23.44 H new ATOM 0 HB2 LYS A 50 16.497 -14.639 0.147 1.00 4.20 H new ATOM 0 HB3 LYS A 50 17.951 -15.003 1.055 1.00 4.20 H new ATOM 0 HG2 LYS A 50 15.853 -13.305 2.398 1.00 52.01 H new ATOM 0 HG3 LYS A 50 15.514 -15.013 2.205 1.00 52.01 H new ATOM 0 HD2 LYS A 50 17.290 -15.673 3.598 1.00 71.32 H new ATOM 0 HD3 LYS A 50 18.217 -14.218 3.288 1.00 71.32 H new ATOM 0 HE2 LYS A 50 16.999 -12.935 4.836 1.00 62.32 H new ATOM 0 HE3 LYS A 50 15.560 -13.925 4.691 1.00 62.32 H new ATOM 0 HZ1 LYS A 50 16.674 -14.300 6.792 1.00 30.13 H new ATOM 0 HZ2 LYS A 50 16.708 -15.715 5.853 1.00 30.13 H new ATOM 0 HZ3 LYS A 50 18.102 -14.755 5.993 1.00 30.13 H new ATOM 733 N GLN A 51 17.703 -12.538 -1.735 1.00 1.30 N ATOM 734 CA GLN A 51 18.298 -12.437 -3.057 1.00 11.02 C ATOM 735 C GLN A 51 19.112 -11.147 -3.176 1.00 12.12 C ATOM 736 O GLN A 51 20.087 -11.091 -3.923 1.00 3.21 O ATOM 737 CB GLN A 51 17.227 -12.512 -4.147 1.00 62.21 C ATOM 738 CG GLN A 51 17.822 -13.011 -5.466 1.00 14.51 C ATOM 739 CD GLN A 51 17.778 -14.538 -5.544 1.00 42.14 C ATOM 740 OE1 GLN A 51 18.811 -15.139 -4.960 1.00 73.20 O flip ATOM 741 NE2 GLN A 51 16.868 -15.131 -6.099 1.00 74.20 N flip ATOM 0 H GLN A 51 16.698 -12.367 -1.705 1.00 1.30 H new ATOM 0 HA GLN A 51 18.972 -13.282 -3.196 1.00 11.02 H new ATOM 0 HB2 GLN A 51 16.426 -13.179 -3.830 1.00 62.21 H new ATOM 0 HB3 GLN A 51 16.782 -11.528 -4.294 1.00 62.21 H new ATOM 0 HG2 GLN A 51 17.269 -12.584 -6.303 1.00 14.51 H new ATOM 0 HG3 GLN A 51 18.853 -12.668 -5.557 1.00 14.51 H new ATOM 0 HE21 GLN A 51 16.105 -14.608 -6.528 1.00 74.20 H new ATOM 0 HE22 GLN A 51 16.870 -16.150 -6.134 1.00 74.20 H new ATOM 750 N TYR A 52 18.681 -10.142 -2.428 1.00 13.21 N ATOM 751 CA TYR A 52 19.357 -8.856 -2.440 1.00 42.11 C ATOM 752 C TYR A 52 20.714 -8.943 -1.738 1.00 71.43 C ATOM 753 O TYR A 52 21.734 -8.547 -2.300 1.00 21.50 O ATOM 754 CB TYR A 52 18.454 -7.897 -1.661 1.00 64.13 C ATOM 755 CG TYR A 52 18.360 -6.498 -2.272 1.00 13.51 C ATOM 756 CD1 TYR A 52 17.417 -6.231 -3.244 1.00 14.15 C ATOM 757 CD2 TYR A 52 19.217 -5.501 -1.851 1.00 64.40 C ATOM 758 CE1 TYR A 52 17.327 -4.914 -3.818 1.00 45.42 C ATOM 759 CE2 TYR A 52 19.128 -4.184 -2.426 1.00 23.13 C ATOM 760 CZ TYR A 52 18.188 -3.955 -3.381 1.00 33.20 C ATOM 761 OH TYR A 52 18.104 -2.711 -3.924 1.00 35.03 O ATOM 0 H TYR A 52 17.872 -10.192 -1.809 1.00 13.21 H new ATOM 0 HA TYR A 52 19.534 -8.525 -3.463 1.00 42.11 H new ATOM 0 HB2 TYR A 52 17.453 -8.324 -1.601 1.00 64.13 H new ATOM 0 HB3 TYR A 52 18.826 -7.812 -0.640 1.00 64.13 H new ATOM 0 HD1 TYR A 52 16.746 -7.011 -3.574 1.00 14.15 H new ATOM 0 HD2 TYR A 52 19.955 -5.709 -1.090 1.00 64.40 H new ATOM 0 HE1 TYR A 52 16.593 -4.692 -4.578 1.00 45.42 H new ATOM 0 HE2 TYR A 52 19.793 -3.396 -2.106 1.00 23.13 H new ATOM 0 HH TYR A 52 18.779 -2.130 -3.516 1.00 35.03 H new ATOM 771 N ALA A 53 20.682 -9.465 -0.521 1.00 11.54 N ATOM 772 CA ALA A 53 21.896 -9.609 0.264 1.00 64.01 C ATOM 773 C ALA A 53 22.865 -10.538 -0.470 1.00 61.24 C ATOM 774 O ALA A 53 24.078 -10.338 -0.424 1.00 71.23 O ATOM 775 CB ALA A 53 21.544 -10.121 1.662 1.00 74.53 C ATOM 0 H ALA A 53 19.834 -9.794 -0.059 1.00 11.54 H new ATOM 0 HA ALA A 53 22.390 -8.645 0.386 1.00 64.01 H new ATOM 0 HB1 ALA A 53 22.455 -10.229 2.250 1.00 74.53 H new ATOM 0 HB2 ALA A 53 20.877 -9.411 2.152 1.00 74.53 H new ATOM 0 HB3 ALA A 53 21.048 -11.088 1.581 1.00 74.53 H new ATOM 781 N ASN A 54 22.293 -11.534 -1.131 1.00 23.31 N ATOM 782 CA ASN A 54 23.091 -12.495 -1.874 1.00 41.10 C ATOM 783 C ASN A 54 23.714 -11.803 -3.088 1.00 44.00 C ATOM 784 O ASN A 54 24.839 -12.116 -3.476 1.00 73.42 O ATOM 785 CB ASN A 54 22.228 -13.652 -2.381 1.00 25.32 C ATOM 786 CG ASN A 54 23.003 -14.519 -3.376 1.00 1.31 C ATOM 787 OD1 ASN A 54 22.382 -14.694 -4.539 1.00 14.42 O flip ATOM 788 ND2 ASN A 54 24.093 -14.997 -3.106 1.00 12.23 N flip ATOM 0 H ASN A 54 21.287 -11.696 -1.168 1.00 23.31 H new ATOM 0 HA ASN A 54 23.860 -12.884 -1.206 1.00 41.10 H new ATOM 0 HB2 ASN A 54 21.901 -14.262 -1.539 1.00 25.32 H new ATOM 0 HB3 ASN A 54 21.330 -13.259 -2.858 1.00 25.32 H new ATOM 0 HD21 ASN A 54 24.514 -14.823 -2.193 1.00 12.23 H new ATOM 0 HD22 ASN A 54 24.583 -15.570 -3.793 1.00 12.23 H new ATOM 795 N ASP A 55 22.957 -10.875 -3.654 1.00 12.23 N ATOM 796 CA ASP A 55 23.421 -10.136 -4.816 1.00 12.04 C ATOM 797 C ASP A 55 24.599 -9.248 -4.412 1.00 44.45 C ATOM 798 O ASP A 55 25.394 -8.842 -5.259 1.00 61.43 O ATOM 799 CB ASP A 55 22.317 -9.234 -5.371 1.00 42.23 C ATOM 800 CG ASP A 55 22.054 -9.383 -6.871 1.00 43.32 C ATOM 801 OD1 ASP A 55 22.979 -9.625 -7.661 1.00 21.33 O ATOM 802 OD2 ASP A 55 20.822 -9.237 -7.226 1.00 25.22 O ATOM 0 H ASP A 55 22.025 -10.618 -3.329 1.00 12.23 H new ATOM 0 HA ASP A 55 23.716 -10.856 -5.579 1.00 12.04 H new ATOM 0 HB2 ASP A 55 21.393 -9.443 -4.833 1.00 42.23 H new ATOM 0 HB3 ASP A 55 22.578 -8.196 -5.164 1.00 42.23 H new ATOM 808 N ASN A 56 24.675 -8.971 -3.119 1.00 2.10 N ATOM 809 CA ASN A 56 25.743 -8.138 -2.593 1.00 44.12 C ATOM 810 C ASN A 56 26.911 -9.027 -2.161 1.00 4.42 C ATOM 811 O ASN A 56 28.036 -8.551 -2.013 1.00 63.34 O ATOM 812 CB ASN A 56 25.274 -7.347 -1.371 1.00 11.50 C ATOM 813 CG ASN A 56 24.217 -6.311 -1.761 1.00 61.20 C ATOM 814 OD1 ASN A 56 23.390 -6.717 -2.720 1.00 34.14 O flip ATOM 815 ND2 ASN A 56 24.157 -5.216 -1.227 1.00 70.30 N flip ATOM 0 H ASN A 56 24.014 -9.309 -2.419 1.00 2.10 H new ATOM 0 HA ASN A 56 26.046 -7.444 -3.377 1.00 44.12 H new ATOM 0 HB2 ASN A 56 24.862 -8.030 -0.628 1.00 11.50 H new ATOM 0 HB3 ASN A 56 26.125 -6.847 -0.908 1.00 11.50 H new ATOM 0 HD21 ASN A 56 24.824 -4.968 -0.496 1.00 70.30 H new ATOM 0 HD22 ASN A 56 23.440 -4.549 -1.511 1.00 70.30 H new ATOM 822 N GLY A 57 26.604 -10.301 -1.970 1.00 23.22 N ATOM 823 CA GLY A 57 27.615 -11.261 -1.557 1.00 55.32 C ATOM 824 C GLY A 57 28.023 -11.035 -0.100 1.00 54.10 C ATOM 825 O GLY A 57 29.073 -11.506 0.334 1.00 12.43 O ATOM 0 H GLY A 57 25.670 -10.692 -2.093 1.00 23.22 H new ATOM 0 HA2 GLY A 57 27.231 -12.274 -1.678 1.00 55.32 H new ATOM 0 HA3 GLY A 57 28.490 -11.173 -2.201 1.00 55.32 H new ATOM 829 N VAL A 58 27.171 -10.315 0.615 1.00 52.42 N ATOM 830 CA VAL A 58 27.430 -10.021 2.014 1.00 14.31 C ATOM 831 C VAL A 58 26.534 -10.899 2.889 1.00 35.15 C ATOM 832 O VAL A 58 25.333 -11.007 2.643 1.00 23.42 O ATOM 833 CB VAL A 58 27.242 -8.525 2.278 1.00 22.21 C ATOM 834 CG1 VAL A 58 27.343 -8.216 3.773 1.00 53.40 C ATOM 835 CG2 VAL A 58 28.249 -7.697 1.478 1.00 41.15 C ATOM 0 H VAL A 58 26.301 -9.927 0.252 1.00 52.42 H new ATOM 0 HA VAL A 58 28.464 -10.255 2.269 1.00 14.31 H new ATOM 0 HB VAL A 58 26.241 -8.249 1.945 1.00 22.21 H new ATOM 0 HG11 VAL A 58 27.206 -7.147 3.934 1.00 53.40 H new ATOM 0 HG12 VAL A 58 26.571 -8.766 4.311 1.00 53.40 H new ATOM 0 HG13 VAL A 58 28.324 -8.515 4.141 1.00 53.40 H new ATOM 0 HG21 VAL A 58 28.094 -6.638 1.684 1.00 41.15 H new ATOM 0 HG22 VAL A 58 29.262 -7.978 1.766 1.00 41.15 H new ATOM 0 HG23 VAL A 58 28.110 -7.884 0.413 1.00 41.15 H new ATOM 845 N ASP A 59 27.151 -11.504 3.893 1.00 2.14 N ATOM 846 CA ASP A 59 26.424 -12.369 4.807 1.00 65.53 C ATOM 847 C ASP A 59 27.004 -12.219 6.215 1.00 71.22 C ATOM 848 O ASP A 59 28.220 -12.155 6.386 1.00 43.33 O ATOM 849 CB ASP A 59 26.555 -13.837 4.396 1.00 62.41 C ATOM 850 CG ASP A 59 27.941 -14.449 4.613 1.00 50.43 C ATOM 851 OD1 ASP A 59 28.336 -14.749 5.749 1.00 33.21 O ATOM 852 OD2 ASP A 59 28.637 -14.616 3.539 1.00 32.45 O ATOM 0 H ASP A 59 28.147 -11.412 4.094 1.00 2.14 H new ATOM 0 HA ASP A 59 25.374 -12.079 4.782 1.00 65.53 H new ATOM 0 HB2 ASP A 59 25.825 -14.422 4.955 1.00 62.41 H new ATOM 0 HB3 ASP A 59 26.296 -13.928 3.341 1.00 62.41 H new ATOM 858 N GLY A 60 26.106 -12.168 7.187 1.00 13.13 N ATOM 859 CA GLY A 60 26.513 -12.027 8.575 1.00 15.51 C ATOM 860 C GLY A 60 25.320 -12.205 9.517 1.00 21.40 C ATOM 861 O GLY A 60 24.700 -13.267 9.544 1.00 32.22 O ATOM 0 H GLY A 60 25.098 -12.222 7.041 1.00 13.13 H new ATOM 0 HA2 GLY A 60 27.280 -12.765 8.810 1.00 15.51 H new ATOM 0 HA3 GLY A 60 26.959 -11.044 8.729 1.00 15.51 H new ATOM 865 N GLU A 61 25.035 -11.151 10.266 1.00 3.54 N ATOM 866 CA GLU A 61 23.928 -11.178 11.207 1.00 3.32 C ATOM 867 C GLU A 61 22.665 -10.612 10.556 1.00 35.03 C ATOM 868 O GLU A 61 22.598 -9.422 10.252 1.00 21.10 O ATOM 869 CB GLU A 61 24.276 -10.412 12.485 1.00 22.55 C ATOM 870 CG GLU A 61 23.043 -10.243 13.376 1.00 44.44 C ATOM 871 CD GLU A 61 22.548 -11.596 13.890 1.00 2.33 C ATOM 872 OE1 GLU A 61 21.387 -11.962 13.654 1.00 2.42 O ATOM 873 OE2 GLU A 61 23.418 -12.277 14.557 1.00 54.21 O ATOM 0 H GLU A 61 25.552 -10.272 10.241 1.00 3.54 H new ATOM 0 HA GLU A 61 23.737 -12.215 11.484 1.00 3.32 H new ATOM 0 HB2 GLU A 61 25.054 -10.944 13.032 1.00 22.55 H new ATOM 0 HB3 GLU A 61 24.680 -9.433 12.228 1.00 22.55 H new ATOM 0 HG2 GLU A 61 23.285 -9.596 14.219 1.00 44.44 H new ATOM 0 HG3 GLU A 61 22.249 -9.751 12.815 1.00 44.44 H new ATOM 881 N TRP A 62 21.693 -11.492 10.362 1.00 50.41 N ATOM 882 CA TRP A 62 20.435 -11.095 9.753 1.00 51.33 C ATOM 883 C TRP A 62 19.435 -10.810 10.875 1.00 1.43 C ATOM 884 O TRP A 62 19.195 -11.662 11.729 1.00 61.01 O ATOM 885 CB TRP A 62 19.942 -12.158 8.769 1.00 24.34 C ATOM 886 CG TRP A 62 20.861 -12.364 7.563 1.00 0.32 C ATOM 887 CD1 TRP A 62 22.160 -12.695 7.562 1.00 15.11 C ATOM 888 CD2 TRP A 62 20.496 -12.238 6.173 1.00 54.53 C ATOM 889 NE1 TRP A 62 22.656 -12.791 6.278 1.00 51.21 N ATOM 890 CE2 TRP A 62 21.612 -12.504 5.406 1.00 12.03 C ATOM 891 CE3 TRP A 62 19.263 -11.909 5.582 1.00 34.22 C ATOM 892 CZ2 TRP A 62 21.607 -12.469 4.007 1.00 73.43 C ATOM 893 CZ3 TRP A 62 19.274 -11.879 4.183 1.00 42.25 C ATOM 894 CH2 TRP A 62 20.389 -12.144 3.396 1.00 24.45 C ATOM 0 H TRP A 62 21.752 -12.478 10.616 1.00 50.41 H new ATOM 0 HA TRP A 62 20.563 -10.188 9.162 1.00 51.33 H new ATOM 0 HB2 TRP A 62 19.835 -13.105 9.297 1.00 24.34 H new ATOM 0 HB3 TRP A 62 18.951 -11.877 8.414 1.00 24.34 H new ATOM 0 HD1 TRP A 62 22.745 -12.865 8.454 1.00 15.11 H new ATOM 0 HE1 TRP A 62 23.613 -13.029 6.017 1.00 51.21 H new ATOM 0 HE3 TRP A 62 18.377 -11.696 6.162 1.00 34.22 H new ATOM 0 HZ2 TRP A 62 22.495 -12.681 3.429 1.00 73.43 H new ATOM 0 HZ3 TRP A 62 18.351 -11.633 3.679 1.00 42.25 H new ATOM 0 HH2 TRP A 62 20.317 -12.100 2.319 1.00 24.45 H new ATOM 905 N THR A 63 18.879 -9.608 10.838 1.00 40.32 N ATOM 906 CA THR A 63 17.911 -9.200 11.841 1.00 13.53 C ATOM 907 C THR A 63 16.709 -8.522 11.179 1.00 64.22 C ATOM 908 O THR A 63 16.875 -7.660 10.317 1.00 24.04 O ATOM 909 CB THR A 63 18.629 -8.307 12.855 1.00 15.25 C ATOM 910 OG1 THR A 63 17.618 -7.976 13.804 1.00 74.13 O ATOM 911 CG2 THR A 63 19.038 -6.958 12.261 1.00 11.55 C ATOM 0 H THR A 63 19.081 -8.903 10.129 1.00 40.32 H new ATOM 0 HA THR A 63 17.506 -10.061 12.373 1.00 13.53 H new ATOM 0 HB THR A 63 19.514 -8.822 13.229 1.00 15.25 H new ATOM 0 HG1 THR A 63 17.998 -7.399 14.499 1.00 74.13 H new ATOM 0 HG21 THR A 63 19.543 -6.363 13.022 1.00 11.55 H new ATOM 0 HG22 THR A 63 19.712 -7.120 11.420 1.00 11.55 H new ATOM 0 HG23 THR A 63 18.150 -6.428 11.917 1.00 11.55 H new ATOM 919 N TYR A 64 15.526 -8.938 11.606 1.00 22.10 N ATOM 920 CA TYR A 64 14.297 -8.382 11.065 1.00 25.50 C ATOM 921 C TYR A 64 13.314 -8.034 12.184 1.00 31.01 C ATOM 922 O TYR A 64 13.130 -8.812 13.119 1.00 62.44 O ATOM 923 CB TYR A 64 13.688 -9.479 10.190 1.00 60.51 C ATOM 924 CG TYR A 64 12.162 -9.424 10.095 1.00 20.25 C ATOM 925 CD1 TYR A 64 11.558 -8.629 9.143 1.00 11.40 C ATOM 926 CD2 TYR A 64 11.389 -10.170 10.963 1.00 44.35 C ATOM 927 CE1 TYR A 64 10.122 -8.576 9.054 1.00 34.51 C ATOM 928 CE2 TYR A 64 9.953 -10.118 10.874 1.00 41.44 C ATOM 929 CZ TYR A 64 9.390 -9.324 9.924 1.00 41.43 C ATOM 930 OH TYR A 64 8.034 -9.274 9.840 1.00 74.43 O ATOM 0 H TYR A 64 15.392 -9.654 12.320 1.00 22.10 H new ATOM 0 HA TYR A 64 14.502 -7.468 10.508 1.00 25.50 H new ATOM 0 HB2 TYR A 64 14.107 -9.404 9.187 1.00 60.51 H new ATOM 0 HB3 TYR A 64 13.982 -10.451 10.586 1.00 60.51 H new ATOM 0 HD1 TYR A 64 12.163 -8.046 8.464 1.00 11.40 H new ATOM 0 HD2 TYR A 64 11.862 -10.792 11.708 1.00 44.35 H new ATOM 0 HE1 TYR A 64 9.637 -7.957 8.314 1.00 34.51 H new ATOM 0 HE2 TYR A 64 9.337 -10.696 11.546 1.00 41.44 H new ATOM 0 HH TYR A 64 7.643 -9.895 10.490 1.00 74.43 H new ATOM 940 N ASP A 65 12.707 -6.863 12.052 1.00 25.51 N ATOM 941 CA ASP A 65 11.747 -6.402 13.041 1.00 63.45 C ATOM 942 C ASP A 65 10.376 -6.250 12.380 1.00 14.23 C ATOM 943 O ASP A 65 10.162 -5.332 11.590 1.00 70.15 O ATOM 944 CB ASP A 65 12.153 -5.041 13.609 1.00 54.02 C ATOM 945 CG ASP A 65 12.959 -5.097 14.908 1.00 50.51 C ATOM 946 OD1 ASP A 65 14.165 -5.386 14.899 1.00 12.32 O ATOM 947 OD2 ASP A 65 12.290 -4.824 15.977 1.00 42.23 O ATOM 0 H ASP A 65 12.861 -6.220 11.275 1.00 25.51 H new ATOM 0 HA ASP A 65 11.715 -7.134 13.848 1.00 63.45 H new ATOM 0 HB2 ASP A 65 12.739 -4.511 12.858 1.00 54.02 H new ATOM 0 HB3 ASP A 65 11.252 -4.453 13.783 1.00 54.02 H new ATOM 953 N ASP A 66 9.481 -7.163 12.729 1.00 25.13 N ATOM 954 CA ASP A 66 8.136 -7.142 12.180 1.00 3.44 C ATOM 955 C ASP A 66 7.445 -5.838 12.586 1.00 22.34 C ATOM 956 O ASP A 66 6.473 -5.424 11.956 1.00 24.43 O ATOM 957 CB ASP A 66 7.303 -8.306 12.719 1.00 60.21 C ATOM 958 CG ASP A 66 6.006 -8.581 11.955 1.00 11.33 C ATOM 959 OD1 ASP A 66 5.121 -7.716 11.868 1.00 62.43 O ATOM 960 OD2 ASP A 66 5.921 -9.755 11.429 1.00 64.50 O ATOM 0 H ASP A 66 9.661 -7.922 13.386 1.00 25.13 H new ATOM 0 HA ASP A 66 8.213 -7.225 11.096 1.00 3.44 H new ATOM 0 HB2 ASP A 66 7.914 -9.208 12.704 1.00 60.21 H new ATOM 0 HB3 ASP A 66 7.057 -8.105 13.762 1.00 60.21 H new ATOM 966 N ALA A 67 7.974 -5.228 13.637 1.00 50.13 N ATOM 967 CA ALA A 67 7.420 -3.980 14.134 1.00 22.03 C ATOM 968 C ALA A 67 7.455 -2.932 13.020 1.00 14.34 C ATOM 969 O ALA A 67 6.636 -2.014 13.002 1.00 41.25 O ATOM 970 CB ALA A 67 8.196 -3.537 15.376 1.00 14.45 C ATOM 0 H ALA A 67 8.780 -5.575 14.158 1.00 50.13 H new ATOM 0 HA ALA A 67 6.379 -4.112 14.429 1.00 22.03 H new ATOM 0 HB1 ALA A 67 7.781 -2.601 15.750 1.00 14.45 H new ATOM 0 HB2 ALA A 67 8.116 -4.303 16.147 1.00 14.45 H new ATOM 0 HB3 ALA A 67 9.245 -3.391 15.117 1.00 14.45 H new ATOM 976 N THR A 68 8.411 -3.103 12.119 1.00 34.43 N ATOM 977 CA THR A 68 8.562 -2.184 11.005 1.00 45.42 C ATOM 978 C THR A 68 8.927 -2.946 9.730 1.00 72.44 C ATOM 979 O THR A 68 9.347 -2.346 8.742 1.00 60.34 O ATOM 980 CB THR A 68 9.599 -1.130 11.400 1.00 51.35 C ATOM 981 OG1 THR A 68 9.931 -0.491 10.170 1.00 73.35 O ATOM 982 CG2 THR A 68 10.918 -1.751 11.865 1.00 53.34 C ATOM 0 H THR A 68 9.089 -3.865 12.138 1.00 34.43 H new ATOM 0 HA THR A 68 7.625 -1.673 10.784 1.00 45.42 H new ATOM 0 HB THR A 68 9.194 -0.502 12.194 1.00 51.35 H new ATOM 0 HG1 THR A 68 9.309 -0.783 9.471 1.00 73.35 H new ATOM 0 HG21 THR A 68 11.618 -0.960 12.133 1.00 53.34 H new ATOM 0 HG22 THR A 68 10.736 -2.384 12.733 1.00 53.34 H new ATOM 0 HG23 THR A 68 11.341 -2.352 11.060 1.00 53.34 H new ATOM 990 N LYS A 69 8.752 -4.258 9.793 1.00 65.31 N ATOM 991 CA LYS A 69 9.058 -5.110 8.656 1.00 54.55 C ATOM 992 C LYS A 69 10.340 -4.615 7.984 1.00 63.23 C ATOM 993 O LYS A 69 10.357 -4.362 6.780 1.00 11.32 O ATOM 994 CB LYS A 69 7.859 -5.189 7.709 1.00 55.35 C ATOM 995 CG LYS A 69 6.560 -5.412 8.486 1.00 53.40 C ATOM 996 CD LYS A 69 6.400 -6.882 8.876 1.00 32.32 C ATOM 997 CE LYS A 69 5.690 -7.668 7.772 1.00 22.51 C ATOM 998 NZ LYS A 69 6.158 -9.073 7.753 1.00 13.42 N ATOM 0 H LYS A 69 8.402 -4.752 10.614 1.00 65.31 H new ATOM 0 HA LYS A 69 9.244 -6.132 8.985 1.00 54.55 H new ATOM 0 HB2 LYS A 69 7.787 -4.268 7.130 1.00 55.35 H new ATOM 0 HB3 LYS A 69 8.006 -6.002 6.998 1.00 55.35 H new ATOM 0 HG2 LYS A 69 6.557 -4.792 9.382 1.00 53.40 H new ATOM 0 HG3 LYS A 69 5.711 -5.099 7.879 1.00 53.40 H new ATOM 0 HD2 LYS A 69 7.380 -7.320 9.067 1.00 32.32 H new ATOM 0 HD3 LYS A 69 5.832 -6.956 9.803 1.00 32.32 H new ATOM 0 HE2 LYS A 69 4.612 -7.640 7.933 1.00 22.51 H new ATOM 0 HE3 LYS A 69 5.881 -7.202 6.805 1.00 22.51 H new ATOM 0 HZ1 LYS A 69 6.743 -9.233 6.908 1.00 13.42 H new ATOM 0 HZ2 LYS A 69 6.723 -9.262 8.606 1.00 13.42 H new ATOM 0 HZ3 LYS A 69 5.338 -9.712 7.732 1.00 13.42 H new ATOM 1011 N THR A 70 11.384 -4.493 8.791 1.00 52.12 N ATOM 1012 CA THR A 70 12.668 -4.033 8.289 1.00 31.45 C ATOM 1013 C THR A 70 13.761 -5.055 8.609 1.00 44.24 C ATOM 1014 O THR A 70 13.827 -5.572 9.723 1.00 50.41 O ATOM 1015 CB THR A 70 12.938 -2.649 8.881 1.00 4.32 C ATOM 1016 OG1 THR A 70 12.104 -1.778 8.122 1.00 3.20 O ATOM 1017 CG2 THR A 70 14.357 -2.154 8.590 1.00 73.14 C ATOM 0 H THR A 70 11.367 -4.705 9.789 1.00 52.12 H new ATOM 0 HA THR A 70 12.660 -3.941 7.203 1.00 31.45 H new ATOM 0 HB THR A 70 12.778 -2.678 9.959 1.00 4.32 H new ATOM 0 HG1 THR A 70 11.164 -1.955 8.337 1.00 3.20 H new ATOM 0 HG21 THR A 70 14.496 -1.167 9.032 1.00 73.14 H new ATOM 0 HG22 THR A 70 15.080 -2.849 9.018 1.00 73.14 H new ATOM 0 HG23 THR A 70 14.507 -2.093 7.512 1.00 73.14 H new ATOM 1025 N PHE A 71 14.593 -5.315 7.610 1.00 32.25 N ATOM 1026 CA PHE A 71 15.680 -6.266 7.771 1.00 42.52 C ATOM 1027 C PHE A 71 17.038 -5.574 7.634 1.00 51.53 C ATOM 1028 O PHE A 71 17.206 -4.690 6.795 1.00 43.22 O ATOM 1029 CB PHE A 71 15.535 -7.303 6.656 1.00 22.30 C ATOM 1030 CG PHE A 71 14.141 -7.926 6.563 1.00 14.10 C ATOM 1031 CD1 PHE A 71 13.079 -7.164 6.186 1.00 44.40 C ATOM 1032 CD2 PHE A 71 13.962 -9.242 6.857 1.00 3.34 C ATOM 1033 CE1 PHE A 71 11.785 -7.741 6.100 1.00 61.44 C ATOM 1034 CE2 PHE A 71 12.668 -9.819 6.771 1.00 21.40 C ATOM 1035 CZ PHE A 71 11.607 -9.057 6.394 1.00 72.21 C ATOM 0 H PHE A 71 14.536 -4.884 6.687 1.00 32.25 H new ATOM 0 HA PHE A 71 15.633 -6.722 8.760 1.00 42.52 H new ATOM 0 HB2 PHE A 71 15.776 -6.832 5.703 1.00 22.30 H new ATOM 0 HB3 PHE A 71 16.266 -8.096 6.814 1.00 22.30 H new ATOM 0 HD1 PHE A 71 13.221 -6.119 5.952 1.00 44.40 H new ATOM 0 HD2 PHE A 71 14.805 -9.848 7.156 1.00 3.34 H new ATOM 0 HE1 PHE A 71 10.942 -7.135 5.801 1.00 61.44 H new ATOM 0 HE2 PHE A 71 12.526 -10.864 7.005 1.00 21.40 H new ATOM 0 HZ PHE A 71 10.623 -9.497 6.328 1.00 72.21 H new ATOM 1045 N THR A 72 17.972 -6.002 8.471 1.00 54.45 N ATOM 1046 CA THR A 72 19.309 -5.434 8.453 1.00 22.23 C ATOM 1047 C THR A 72 20.360 -6.546 8.435 1.00 31.11 C ATOM 1048 O THR A 72 20.302 -7.473 9.242 1.00 43.21 O ATOM 1049 CB THR A 72 19.440 -4.494 9.653 1.00 34.55 C ATOM 1050 OG1 THR A 72 18.164 -3.866 9.743 1.00 73.40 O ATOM 1051 CG2 THR A 72 20.406 -3.338 9.390 1.00 63.24 C ATOM 0 H THR A 72 17.829 -6.735 9.166 1.00 54.45 H new ATOM 0 HA THR A 72 19.480 -4.853 7.547 1.00 22.23 H new ATOM 0 HB THR A 72 19.779 -5.060 10.521 1.00 34.55 H new ATOM 0 HG1 THR A 72 18.160 -3.240 10.497 1.00 73.40 H new ATOM 0 HG21 THR A 72 20.461 -2.702 10.273 1.00 63.24 H new ATOM 0 HG22 THR A 72 21.396 -3.735 9.166 1.00 63.24 H new ATOM 0 HG23 THR A 72 20.050 -2.752 8.543 1.00 63.24 H new ATOM 1059 N VAL A 73 21.295 -6.417 7.506 1.00 65.21 N ATOM 1060 CA VAL A 73 22.358 -7.400 7.372 1.00 53.40 C ATOM 1061 C VAL A 73 23.682 -6.776 7.817 1.00 21.45 C ATOM 1062 O VAL A 73 24.141 -5.799 7.229 1.00 43.13 O ATOM 1063 CB VAL A 73 22.400 -7.932 5.938 1.00 20.43 C ATOM 1064 CG1 VAL A 73 23.674 -7.479 5.222 1.00 13.23 C ATOM 1065 CG2 VAL A 73 22.272 -9.457 5.916 1.00 15.10 C ATOM 0 H VAL A 73 21.339 -5.647 6.838 1.00 65.21 H new ATOM 0 HA VAL A 73 22.169 -8.258 8.018 1.00 53.40 H new ATOM 0 HB VAL A 73 21.548 -7.516 5.401 1.00 20.43 H new ATOM 0 HG11 VAL A 73 23.679 -7.871 4.205 1.00 13.23 H new ATOM 0 HG12 VAL A 73 23.707 -6.390 5.192 1.00 13.23 H new ATOM 0 HG13 VAL A 73 24.546 -7.853 5.759 1.00 13.23 H new ATOM 0 HG21 VAL A 73 22.305 -9.810 4.885 1.00 15.10 H new ATOM 0 HG22 VAL A 73 23.095 -9.899 6.477 1.00 15.10 H new ATOM 0 HG23 VAL A 73 21.325 -9.749 6.370 1.00 15.10 H new ATOM 1075 N THR A 74 24.259 -7.368 8.854 1.00 54.45 N ATOM 1076 CA THR A 74 25.521 -6.883 9.385 1.00 41.52 C ATOM 1077 C THR A 74 26.645 -7.875 9.079 1.00 52.33 C ATOM 1078 O THR A 74 26.599 -9.024 9.514 1.00 34.12 O ATOM 1079 CB THR A 74 25.334 -6.618 10.880 1.00 25.11 C ATOM 1080 OG1 THR A 74 24.021 -6.074 10.975 1.00 1.31 O ATOM 1081 CG2 THR A 74 26.240 -5.497 11.394 1.00 25.42 C ATOM 0 H THR A 74 23.875 -8.179 9.340 1.00 54.45 H new ATOM 0 HA THR A 74 25.817 -5.948 8.909 1.00 41.52 H new ATOM 0 HB THR A 74 25.536 -7.532 11.438 1.00 25.11 H new ATOM 0 HG1 THR A 74 23.817 -5.874 11.912 1.00 1.31 H new ATOM 0 HG21 THR A 74 26.067 -5.350 12.460 1.00 25.42 H new ATOM 0 HG22 THR A 74 27.283 -5.768 11.229 1.00 25.42 H new ATOM 0 HG23 THR A 74 26.016 -4.574 10.859 1.00 25.42 H new ATOM 1089 N GLU A 75 27.628 -7.394 8.332 1.00 71.22 N ATOM 1090 CA GLU A 75 28.762 -8.225 7.962 1.00 13.54 C ATOM 1091 C GLU A 75 29.843 -8.157 9.043 1.00 61.54 C ATOM 1092 O GLU A 75 30.890 -7.544 8.841 1.00 61.33 O ATOM 1093 CB GLU A 75 29.322 -7.813 6.599 1.00 12.25 C ATOM 1094 CG GLU A 75 29.988 -8.999 5.900 1.00 43.15 C ATOM 1095 CD GLU A 75 31.331 -9.336 6.551 1.00 43.23 C ATOM 1096 OE1 GLU A 75 32.380 -8.859 6.092 1.00 52.23 O ATOM 1097 OE2 GLU A 75 31.261 -10.123 7.570 1.00 14.23 O ATOM 0 H GLU A 75 27.663 -6.440 7.973 1.00 71.22 H new ATOM 0 HA GLU A 75 28.421 -9.257 7.880 1.00 13.54 H new ATOM 0 HB2 GLU A 75 28.519 -7.422 5.975 1.00 12.25 H new ATOM 0 HB3 GLU A 75 30.046 -7.008 6.727 1.00 12.25 H new ATOM 0 HG2 GLU A 75 29.331 -9.867 5.944 1.00 43.15 H new ATOM 0 HG3 GLU A 75 30.139 -8.766 4.846 1.00 43.15 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.120 -4.413 -13.105 1.00 35.44 LA