USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=25 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 35 THR OG1 : rot 180:sc= -0.63! USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ -107:sc= 0.0589 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 7 ASN : amide:sc= -1.03 X(o=-1,f=-0.53) USER MOD Single : A 11 TYR OH : rot -25:sc= 0.892 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= -0.155 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.501 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.24) 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+ -151:sc= 0.443 (180deg=-0.183) 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+ -145:sc= 0 (180deg=-0.0593) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0.944 (180deg=0.563) USER MOD Single : A 51 GLN :FLIP amide:sc= -4.27! C(o=-5.5!,f=-4.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 56 ASN :FLIP amide:sc= -8.61! C(o=-12!,f=-8.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 179:sc= -0.914 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= 0.0856 (180deg=0.00847) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.585 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.240 -0.278 0.524 1.00 2.04 N ATOM 2 CA CYS A 1 1.769 -0.265 -0.829 1.00 53.51 C ATOM 3 C CYS A 1 1.108 -1.400 -1.614 1.00 2.41 C ATOM 4 O CYS A 1 0.806 -2.452 -1.054 1.00 60.31 O ATOM 5 CB CYS A 1 3.295 -0.374 -0.842 1.00 33.54 C ATOM 6 SG CYS A 1 3.940 -2.085 -0.921 1.00 41.02 S ATOM 0 H1 CYS A 1 0.592 0.525 0.651 1.00 2.04 H new ATOM 0 H2 CYS A 1 0.726 -1.167 0.687 1.00 2.04 H new ATOM 0 H3 CYS A 1 2.023 -0.202 1.204 1.00 2.04 H new ATOM 0 HA CYS A 1 1.536 0.688 -1.304 1.00 53.51 H new ATOM 0 HB2 CYS A 1 3.678 0.184 -1.697 1.00 33.54 H new ATOM 0 HB3 CYS A 1 3.687 0.107 0.054 1.00 33.54 H new ATOM 11 N TYR A 2 0.903 -1.147 -2.898 1.00 65.14 N ATOM 12 CA TYR A 2 0.284 -2.135 -3.766 1.00 3.22 C ATOM 13 C TYR A 2 1.297 -2.698 -4.765 1.00 74.32 C ATOM 14 O TYR A 2 2.332 -2.085 -5.018 1.00 40.53 O ATOM 15 CB TYR A 2 -0.813 -1.394 -4.532 1.00 50.14 C ATOM 16 CG TYR A 2 -2.072 -1.120 -3.708 1.00 32.44 C ATOM 17 CD1 TYR A 2 -2.950 -2.148 -3.427 1.00 1.14 C ATOM 18 CD2 TYR A 2 -2.330 0.154 -3.244 1.00 75.34 C ATOM 19 CE1 TYR A 2 -4.135 -1.890 -2.650 1.00 60.42 C ATOM 20 CE2 TYR A 2 -3.516 0.411 -2.468 1.00 4.20 C ATOM 21 CZ TYR A 2 -4.359 -0.624 -2.209 1.00 53.42 C ATOM 22 OH TYR A 2 -5.479 -0.381 -1.476 1.00 4.51 O ATOM 0 H TYR A 2 1.154 -0.272 -3.359 1.00 65.14 H new ATOM 0 HA TYR A 2 -0.105 -2.970 -3.183 1.00 3.22 H new ATOM 0 HB2 TYR A 2 -0.413 -0.446 -4.892 1.00 50.14 H new ATOM 0 HB3 TYR A 2 -1.086 -1.978 -5.410 1.00 50.14 H new ATOM 0 HD1 TYR A 2 -2.748 -3.145 -3.790 1.00 1.14 H new ATOM 0 HD2 TYR A 2 -1.643 0.958 -3.463 1.00 75.34 H new ATOM 0 HE1 TYR A 2 -4.830 -2.685 -2.423 1.00 60.42 H new ATOM 0 HE2 TYR A 2 -3.731 1.403 -2.100 1.00 4.20 H new ATOM 0 HH TYR A 2 -5.508 0.567 -1.228 1.00 4.51 H new ATOM 32 N VAL A 3 0.962 -3.860 -5.306 1.00 72.52 N ATOM 33 CA VAL A 3 1.829 -4.514 -6.272 1.00 54.33 C ATOM 34 C VAL A 3 0.998 -4.959 -7.478 1.00 12.54 C ATOM 35 O VAL A 3 -0.111 -5.448 -7.387 1.00 42.00 O ATOM 36 CB VAL A 3 2.580 -5.668 -5.605 1.00 53.32 C ATOM 37 CG1 VAL A 3 2.837 -6.802 -6.600 1.00 5.45 C ATOM 38 CG2 VAL A 3 3.887 -5.181 -4.978 1.00 3.24 C ATOM 0 H VAL A 3 0.102 -4.366 -5.094 1.00 72.52 H new ATOM 0 HA VAL A 3 2.586 -3.820 -6.637 1.00 54.33 H new ATOM 0 HB VAL A 3 1.951 -6.060 -4.806 1.00 53.32 H new ATOM 0 HG11 VAL A 3 3.372 -7.610 -6.101 1.00 5.45 H new ATOM 0 HG12 VAL A 3 1.886 -7.176 -6.979 1.00 5.45 H new ATOM 0 HG13 VAL A 3 3.436 -6.429 -7.430 1.00 5.45 H new ATOM 0 HG21 VAL A 3 4.401 -6.021 -4.511 1.00 3.24 H new ATOM 0 HG22 VAL A 3 4.523 -4.751 -5.751 1.00 3.24 H new ATOM 0 HG23 VAL A 3 3.669 -4.424 -4.225 1.00 3.24 H new ATOM 48 N ASP A 4 1.567 -4.776 -8.637 1.00 53.50 N ATOM 49 CA ASP A 4 0.862 -5.174 -9.888 1.00 12.30 C ATOM 50 C ASP A 4 1.357 -6.547 -10.354 1.00 3.40 C ATOM 51 O ASP A 4 2.543 -6.821 -10.177 1.00 21.24 O ATOM 52 CB ASP A 4 1.228 -4.096 -10.909 1.00 10.22 C ATOM 53 CG ASP A 4 0.546 -4.402 -12.243 1.00 62.02 C ATOM 54 OD1 ASP A 4 -0.153 -5.400 -12.314 1.00 51.22 O ATOM 55 OD2 ASP A 4 0.735 -3.635 -13.174 1.00 30.54 O ATOM 0 H ASP A 4 2.492 -4.367 -8.772 1.00 53.50 H new ATOM 0 HA ASP A 4 -0.216 -5.253 -9.750 1.00 12.30 H new ATOM 0 HB2 ASP A 4 0.917 -3.116 -10.546 1.00 10.22 H new ATOM 0 HB3 ASP A 4 2.309 -4.058 -11.042 1.00 10.22 H new ATOM 60 N THR A 5 0.475 -7.359 -10.917 1.00 50.11 N ATOM 61 CA THR A 5 0.863 -8.680 -11.381 1.00 45.12 C ATOM 62 C THR A 5 0.956 -8.703 -12.908 1.00 41.21 C ATOM 63 O THR A 5 0.997 -9.772 -13.515 1.00 41.22 O ATOM 64 CB THR A 5 -0.136 -9.692 -10.818 1.00 12.22 C ATOM 65 OG1 THR A 5 -1.403 -9.213 -11.263 1.00 25.44 O ATOM 66 CG2 THR A 5 -0.231 -9.634 -9.292 1.00 11.12 C ATOM 0 H THR A 5 -0.508 -7.128 -11.062 1.00 50.11 H new ATOM 0 HA THR A 5 1.856 -8.949 -11.022 1.00 45.12 H new ATOM 0 HB THR A 5 0.153 -10.697 -11.126 1.00 12.22 H new ATOM 0 HG1 THR A 5 -2.110 -9.812 -10.944 1.00 25.44 H new ATOM 0 HG21 THR A 5 -0.954 -10.372 -8.944 1.00 11.12 H new ATOM 0 HG22 THR A 5 0.745 -9.850 -8.858 1.00 11.12 H new ATOM 0 HG23 THR A 5 -0.553 -8.639 -8.985 1.00 11.12 H new ATOM 74 N ASN A 6 0.986 -7.511 -13.485 1.00 43.51 N ATOM 75 CA ASN A 6 1.073 -7.380 -14.930 1.00 23.23 C ATOM 76 C ASN A 6 2.435 -6.792 -15.303 1.00 43.52 C ATOM 77 O ASN A 6 2.854 -6.870 -16.457 1.00 40.11 O ATOM 78 CB ASN A 6 -0.010 -6.441 -15.464 1.00 71.42 C ATOM 79 CG ASN A 6 -1.344 -6.683 -14.754 1.00 43.41 C ATOM 80 OD1 ASN A 6 -2.124 -5.775 -14.519 1.00 12.13 O ATOM 81 ND2 ASN A 6 -1.560 -7.953 -14.427 1.00 74.41 N ATOM 0 H ASN A 6 0.952 -6.627 -12.978 1.00 43.51 H new ATOM 0 HA ASN A 6 0.940 -8.370 -15.367 1.00 23.23 H new ATOM 0 HB2 ASN A 6 0.299 -5.405 -15.322 1.00 71.42 H new ATOM 0 HB3 ASN A 6 -0.132 -6.593 -16.536 1.00 71.42 H new ATOM 0 HD21 ASN A 6 -2.422 -8.217 -13.949 1.00 74.41 H new ATOM 0 HD22 ASN A 6 -0.864 -8.663 -14.654 1.00 74.41 H new ATOM 88 N ASN A 7 3.089 -6.215 -14.305 1.00 72.22 N ATOM 89 CA ASN A 7 4.395 -5.614 -14.514 1.00 52.54 C ATOM 90 C ASN A 7 4.239 -4.346 -15.357 1.00 74.22 C ATOM 91 O ASN A 7 5.170 -3.938 -16.049 1.00 2.53 O ATOM 92 CB ASN A 7 5.327 -6.568 -15.264 1.00 1.44 C ATOM 93 CG ASN A 7 5.288 -7.968 -14.649 1.00 30.03 C ATOM 94 OD1 ASN A 7 5.932 -8.255 -13.653 1.00 63.33 O ATOM 95 ND2 ASN A 7 4.498 -8.821 -15.295 1.00 41.20 N ATOM 0 H ASN A 7 2.738 -6.151 -13.349 1.00 72.22 H new ATOM 0 HA ASN A 7 4.822 -5.387 -13.537 1.00 52.54 H new ATOM 0 HB2 ASN A 7 5.034 -6.619 -16.313 1.00 1.44 H new ATOM 0 HB3 ASN A 7 6.346 -6.183 -15.236 1.00 1.44 H new ATOM 0 HD21 ASN A 7 4.404 -9.781 -14.962 1.00 41.20 H new ATOM 0 HD22 ASN A 7 3.987 -8.516 -16.123 1.00 41.20 H new ATOM 102 N ASP A 8 3.054 -3.759 -15.272 1.00 32.53 N ATOM 103 CA ASP A 8 2.764 -2.547 -16.018 1.00 15.11 C ATOM 104 C ASP A 8 3.025 -1.330 -15.128 1.00 21.44 C ATOM 105 O ASP A 8 3.330 -0.247 -15.624 1.00 62.32 O ATOM 106 CB ASP A 8 1.298 -2.507 -16.455 1.00 11.42 C ATOM 107 CG ASP A 8 0.320 -2.002 -15.392 1.00 31.23 C ATOM 108 OD1 ASP A 8 0.478 -0.831 -14.985 1.00 25.13 O ATOM 109 OD2 ASP A 8 -0.564 -2.799 -15.010 1.00 72.22 O ATOM 0 H ASP A 8 2.284 -4.101 -14.698 1.00 32.53 H new ATOM 0 HA ASP A 8 3.404 -2.533 -16.900 1.00 15.11 H new ATOM 0 HB2 ASP A 8 1.214 -1.870 -17.336 1.00 11.42 H new ATOM 0 HB3 ASP A 8 0.997 -3.510 -16.757 1.00 11.42 H new ATOM 114 N GLY A 9 2.896 -1.550 -13.827 1.00 61.14 N ATOM 115 CA GLY A 9 3.115 -0.485 -12.863 1.00 72.32 C ATOM 116 C GLY A 9 1.807 0.242 -12.543 1.00 20.51 C ATOM 117 O GLY A 9 1.799 1.456 -12.348 1.00 23.14 O ATOM 0 H GLY A 9 2.643 -2.450 -13.419 1.00 61.14 H new ATOM 0 HA2 GLY A 9 3.538 -0.899 -11.948 1.00 72.32 H new ATOM 0 HA3 GLY A 9 3.842 0.224 -13.258 1.00 72.32 H new ATOM 121 N ALA A 10 0.733 -0.532 -12.499 1.00 34.41 N ATOM 122 CA ALA A 10 -0.578 0.022 -12.206 1.00 0.43 C ATOM 123 C ALA A 10 -1.383 -0.988 -11.386 1.00 2.34 C ATOM 124 O ALA A 10 -1.272 -2.194 -11.598 1.00 22.21 O ATOM 125 CB ALA A 10 -1.277 0.400 -13.513 1.00 44.53 C ATOM 0 H ALA A 10 0.744 -1.539 -12.661 1.00 34.41 H new ATOM 0 HA ALA A 10 -0.485 0.931 -11.611 1.00 0.43 H new ATOM 0 HB1 ALA A 10 -2.260 0.815 -13.293 1.00 44.53 H new ATOM 0 HB2 ALA A 10 -0.680 1.142 -14.043 1.00 44.53 H new ATOM 0 HB3 ALA A 10 -1.389 -0.488 -14.135 1.00 44.53 H new ATOM 131 N TYR A 11 -2.175 -0.457 -10.466 1.00 32.54 N ATOM 132 CA TYR A 11 -2.998 -1.298 -9.613 1.00 14.35 C ATOM 133 C TYR A 11 -4.457 -1.285 -10.074 1.00 32.12 C ATOM 134 O TYR A 11 -5.103 -0.238 -10.074 1.00 62.13 O ATOM 135 CB TYR A 11 -2.914 -0.688 -8.212 1.00 4.11 C ATOM 136 CG TYR A 11 -1.484 -0.517 -7.693 1.00 75.01 C ATOM 137 CD1 TYR A 11 -0.608 -1.583 -7.721 1.00 50.12 C ATOM 138 CD2 TYR A 11 -1.072 0.703 -7.197 1.00 64.21 C ATOM 139 CE1 TYR A 11 0.737 -1.422 -7.233 1.00 21.11 C ATOM 140 CE2 TYR A 11 0.274 0.864 -6.709 1.00 35.31 C ATOM 141 CZ TYR A 11 1.111 -0.207 -6.751 1.00 5.31 C ATOM 142 OH TYR A 11 2.382 -0.055 -6.290 1.00 11.12 O ATOM 0 H TYR A 11 -2.264 0.544 -10.293 1.00 32.54 H new ATOM 0 HA TYR A 11 -2.650 -2.331 -9.642 1.00 14.35 H new ATOM 0 HB2 TYR A 11 -3.406 0.285 -8.220 1.00 4.11 H new ATOM 0 HB3 TYR A 11 -3.469 -1.319 -7.518 1.00 4.11 H new ATOM 0 HD1 TYR A 11 -0.931 -2.538 -8.109 1.00 50.12 H new ATOM 0 HD2 TYR A 11 -1.758 1.537 -7.175 1.00 64.21 H new ATOM 0 HE1 TYR A 11 1.433 -2.248 -7.249 1.00 21.11 H new ATOM 0 HE2 TYR A 11 0.610 1.813 -6.319 1.00 35.31 H new ATOM 0 HH TYR A 11 2.733 -0.925 -6.005 1.00 11.12 H new ATOM 152 N GLU A 12 -4.934 -2.461 -10.455 1.00 41.13 N ATOM 153 CA GLU A 12 -6.305 -2.598 -10.918 1.00 25.42 C ATOM 154 C GLU A 12 -6.711 -4.073 -10.942 1.00 71.23 C ATOM 155 O GLU A 12 -6.177 -4.855 -11.727 1.00 24.20 O ATOM 156 CB GLU A 12 -6.485 -1.957 -12.295 1.00 13.00 C ATOM 157 CG GLU A 12 -5.863 -2.825 -13.390 1.00 60.33 C ATOM 158 CD GLU A 12 -4.450 -3.266 -13.004 1.00 5.41 C ATOM 159 OE1 GLU A 12 -3.666 -2.376 -12.608 1.00 50.43 O ATOM 160 OE2 GLU A 12 -4.185 -4.482 -13.113 1.00 65.31 O ATOM 0 H GLU A 12 -4.396 -3.328 -10.453 1.00 41.13 H new ATOM 0 HA GLU A 12 -6.958 -2.072 -10.221 1.00 25.42 H new ATOM 0 HB2 GLU A 12 -7.546 -1.815 -12.498 1.00 13.00 H new ATOM 0 HB3 GLU A 12 -6.024 -0.969 -12.303 1.00 13.00 H new ATOM 0 HG2 GLU A 12 -6.487 -3.702 -13.562 1.00 60.33 H new ATOM 0 HG3 GLU A 12 -5.831 -2.268 -14.326 1.00 60.33 H new ATOM 167 N GLY A 13 -7.653 -4.409 -10.074 1.00 15.35 N ATOM 168 CA GLY A 13 -8.138 -5.776 -9.986 1.00 2.14 C ATOM 169 C GLY A 13 -7.685 -6.435 -8.681 1.00 71.22 C ATOM 170 O GLY A 13 -8.029 -5.972 -7.595 1.00 52.51 O ATOM 0 H GLY A 13 -8.094 -3.758 -9.425 1.00 15.35 H new ATOM 0 HA2 GLY A 13 -9.226 -5.784 -10.043 1.00 2.14 H new ATOM 0 HA3 GLY A 13 -7.770 -6.352 -10.835 1.00 2.14 H new ATOM 174 N ASP A 14 -6.920 -7.507 -8.831 1.00 53.45 N ATOM 175 CA ASP A 14 -6.417 -8.234 -7.679 1.00 21.31 C ATOM 176 C ASP A 14 -5.229 -7.477 -7.082 1.00 63.23 C ATOM 177 O ASP A 14 -4.836 -7.729 -5.944 1.00 63.23 O ATOM 178 CB ASP A 14 -5.936 -9.631 -8.077 1.00 21.13 C ATOM 179 CG ASP A 14 -4.645 -9.661 -8.898 1.00 75.11 C ATOM 180 OD1 ASP A 14 -4.676 -9.612 -10.137 1.00 24.12 O ATOM 181 OD2 ASP A 14 -3.560 -9.740 -8.205 1.00 50.45 O ATOM 0 H ASP A 14 -6.637 -7.889 -9.733 1.00 53.45 H new ATOM 0 HA ASP A 14 -7.228 -8.324 -6.956 1.00 21.31 H new ATOM 0 HB2 ASP A 14 -5.787 -10.219 -7.171 1.00 21.13 H new ATOM 0 HB3 ASP A 14 -6.724 -10.121 -8.649 1.00 21.13 H new ATOM 187 N GLU A 15 -4.690 -6.565 -7.878 1.00 1.35 N ATOM 188 CA GLU A 15 -3.555 -5.769 -7.442 1.00 65.23 C ATOM 189 C GLU A 15 -3.983 -4.785 -6.352 1.00 24.34 C ATOM 190 O GLU A 15 -3.145 -4.104 -5.762 1.00 54.42 O ATOM 191 CB GLU A 15 -2.915 -5.035 -8.622 1.00 63.23 C ATOM 192 CG GLU A 15 -2.647 -5.994 -9.784 1.00 41.13 C ATOM 193 CD GLU A 15 -2.628 -5.246 -11.119 1.00 11.00 C ATOM 194 OE1 GLU A 15 -2.756 -4.003 -11.075 1.00 32.31 O ATOM 195 OE2 GLU A 15 -2.486 -5.934 -12.153 1.00 42.20 O ATOM 0 H GLU A 15 -5.018 -6.360 -8.822 1.00 1.35 H new ATOM 0 HA GLU A 15 -2.805 -6.440 -7.023 1.00 65.23 H new ATOM 0 HB2 GLU A 15 -3.571 -4.230 -8.954 1.00 63.23 H new ATOM 0 HB3 GLU A 15 -1.980 -4.573 -8.304 1.00 63.23 H new ATOM 0 HG2 GLU A 15 -1.692 -6.498 -9.632 1.00 41.13 H new ATOM 0 HG3 GLU A 15 -3.415 -6.767 -9.807 1.00 41.13 H new ATOM 202 N LEU A 16 -5.286 -4.743 -6.116 1.00 43.30 N ATOM 203 CA LEU A 16 -5.835 -3.854 -5.107 1.00 11.44 C ATOM 204 C LEU A 16 -6.195 -4.665 -3.860 1.00 51.42 C ATOM 205 O LEU A 16 -7.120 -4.311 -3.131 1.00 12.22 O ATOM 206 CB LEU A 16 -7.006 -3.052 -5.678 1.00 74.45 C ATOM 207 CG LEU A 16 -6.973 -2.799 -7.187 1.00 61.41 C ATOM 208 CD1 LEU A 16 -8.306 -2.230 -7.677 1.00 44.03 C ATOM 209 CD2 LEU A 16 -5.792 -1.903 -7.567 1.00 33.33 C ATOM 0 H LEU A 16 -5.977 -5.310 -6.606 1.00 43.30 H new ATOM 0 HA LEU A 16 -5.092 -3.116 -4.805 1.00 11.44 H new ATOM 0 HB2 LEU A 16 -7.931 -3.576 -5.438 1.00 74.45 H new ATOM 0 HB3 LEU A 16 -7.044 -2.089 -5.169 1.00 74.45 H new ATOM 0 HG LEU A 16 -6.827 -3.755 -7.691 1.00 61.41 H new ATOM 0 HD11 LEU A 16 -8.255 -2.059 -8.752 1.00 44.03 H new ATOM 0 HD12 LEU A 16 -9.106 -2.938 -7.459 1.00 44.03 H new ATOM 0 HD13 LEU A 16 -8.508 -1.287 -7.169 1.00 44.03 H new ATOM 0 HD21 LEU A 16 -5.792 -1.739 -8.645 1.00 33.33 H new ATOM 0 HD22 LEU A 16 -5.882 -0.945 -7.054 1.00 33.33 H new ATOM 0 HD23 LEU A 16 -4.860 -2.386 -7.273 1.00 33.33 H new ATOM 221 N SER A 17 -5.445 -5.737 -3.654 1.00 72.33 N ATOM 222 CA SER A 17 -5.674 -6.601 -2.509 1.00 23.53 C ATOM 223 C SER A 17 -4.862 -6.107 -1.310 1.00 0.22 C ATOM 224 O SER A 17 -5.191 -6.411 -0.164 1.00 71.45 O ATOM 225 CB SER A 17 -5.312 -8.052 -2.832 1.00 63.35 C ATOM 226 OG SER A 17 -5.648 -8.937 -1.767 1.00 1.10 O ATOM 0 H SER A 17 -4.678 -6.027 -4.261 1.00 72.33 H new ATOM 0 HA SER A 17 -6.735 -6.566 -2.262 1.00 23.53 H new ATOM 0 HB2 SER A 17 -5.832 -8.362 -3.738 1.00 63.35 H new ATOM 0 HB3 SER A 17 -4.244 -8.122 -3.038 1.00 63.35 H new ATOM 0 HG SER A 17 -5.402 -9.853 -2.013 1.00 1.10 H new ATOM 232 N GLY A 18 -3.817 -5.352 -1.615 1.00 3.14 N ATOM 233 CA GLY A 18 -2.955 -4.812 -0.576 1.00 53.04 C ATOM 234 C GLY A 18 -1.638 -5.586 -0.499 1.00 60.42 C ATOM 235 O GLY A 18 -1.635 -6.816 -0.517 1.00 22.32 O ATOM 0 H GLY A 18 -3.547 -5.101 -2.566 1.00 3.14 H new ATOM 0 HA2 GLY A 18 -2.752 -3.760 -0.778 1.00 53.04 H new ATOM 0 HA3 GLY A 18 -3.465 -4.859 0.386 1.00 53.04 H new ATOM 239 N THR A 19 -0.550 -4.834 -0.415 1.00 74.34 N ATOM 240 CA THR A 19 0.770 -5.435 -0.336 1.00 4.35 C ATOM 241 C THR A 19 1.526 -4.900 0.883 1.00 61.53 C ATOM 242 O THR A 19 1.072 -3.964 1.538 1.00 51.21 O ATOM 243 CB THR A 19 1.490 -5.172 -1.660 1.00 72.40 C ATOM 244 OG1 THR A 19 0.462 -5.282 -2.641 1.00 62.20 O ATOM 245 CG2 THR A 19 2.473 -6.287 -2.023 1.00 75.55 C ATOM 0 H THR A 19 -0.556 -3.814 -0.400 1.00 74.34 H new ATOM 0 HA THR A 19 0.706 -6.514 -0.193 1.00 4.35 H new ATOM 0 HB THR A 19 2.023 -4.223 -1.602 1.00 72.40 H new ATOM 0 HG1 THR A 19 0.507 -6.164 -3.065 1.00 62.20 H new ATOM 0 HG21 THR A 19 2.957 -6.051 -2.971 1.00 75.55 H new ATOM 0 HG22 THR A 19 3.228 -6.375 -1.242 1.00 75.55 H new ATOM 0 HG23 THR A 19 1.935 -7.231 -2.115 1.00 75.55 H new ATOM 253 N MET A 20 2.667 -5.519 1.149 1.00 31.34 N ATOM 254 CA MET A 20 3.490 -5.118 2.277 1.00 2.24 C ATOM 255 C MET A 20 4.862 -4.628 1.808 1.00 13.04 C ATOM 256 O MET A 20 5.556 -5.327 1.072 1.00 20.12 O ATOM 257 CB MET A 20 3.669 -6.304 3.227 1.00 12.01 C ATOM 258 CG MET A 20 2.317 -6.802 3.742 1.00 30.41 C ATOM 259 SD MET A 20 2.563 -8.051 4.993 1.00 21.52 S ATOM 260 CE MET A 20 1.274 -9.201 4.542 1.00 51.51 C ATOM 0 H MET A 20 3.041 -6.295 0.603 1.00 31.34 H new ATOM 0 HA MET A 20 2.990 -4.299 2.794 1.00 2.24 H new ATOM 0 HB2 MET A 20 4.186 -7.113 2.711 1.00 12.01 H new ATOM 0 HB3 MET A 20 4.297 -6.009 4.068 1.00 12.01 H new ATOM 0 HG2 MET A 20 1.747 -5.970 4.155 1.00 30.41 H new ATOM 0 HG3 MET A 20 1.733 -7.211 2.918 1.00 30.41 H new ATOM 0 HE1 MET A 20 1.286 -10.048 5.227 1.00 51.51 H new ATOM 0 HE2 MET A 20 0.306 -8.703 4.598 1.00 51.51 H new ATOM 0 HE3 MET A 20 1.442 -9.555 3.525 1.00 51.51 H new ATOM 270 N GLU A 21 5.211 -3.430 2.254 1.00 30.22 N ATOM 271 CA GLU A 21 6.487 -2.839 1.889 1.00 1.33 C ATOM 272 C GLU A 21 7.507 -3.042 3.012 1.00 73.23 C ATOM 273 O GLU A 21 7.260 -2.664 4.156 1.00 53.33 O ATOM 274 CB GLU A 21 6.328 -1.354 1.556 1.00 71.13 C ATOM 275 CG GLU A 21 7.673 -0.629 1.627 1.00 1.34 C ATOM 276 CD GLU A 21 7.967 -0.159 3.054 1.00 65.33 C ATOM 277 OE1 GLU A 21 9.066 -0.406 3.573 1.00 2.30 O ATOM 278 OE2 GLU A 21 7.006 0.484 3.625 1.00 5.12 O ATOM 0 H GLU A 21 4.632 -2.853 2.865 1.00 30.22 H new ATOM 0 HA GLU A 21 6.855 -3.341 0.995 1.00 1.33 H new ATOM 0 HB2 GLU A 21 5.904 -1.245 0.558 1.00 71.13 H new ATOM 0 HB3 GLU A 21 5.626 -0.895 2.252 1.00 71.13 H new ATOM 0 HG2 GLU A 21 8.467 -1.294 1.288 1.00 1.34 H new ATOM 0 HG3 GLU A 21 7.665 0.227 0.952 1.00 1.34 H new ATOM 286 N TYR A 22 8.631 -3.639 2.645 1.00 22.43 N ATOM 287 CA TYR A 22 9.689 -3.898 3.607 1.00 2.32 C ATOM 288 C TYR A 22 10.956 -3.116 3.252 1.00 71.41 C ATOM 289 O TYR A 22 11.224 -2.862 2.079 1.00 62.23 O ATOM 290 CB TYR A 22 9.986 -5.396 3.516 1.00 51.25 C ATOM 291 CG TYR A 22 8.739 -6.281 3.564 1.00 21.22 C ATOM 292 CD1 TYR A 22 7.990 -6.482 2.422 1.00 24.04 C ATOM 293 CD2 TYR A 22 8.363 -6.879 4.750 1.00 60.10 C ATOM 294 CE1 TYR A 22 6.817 -7.315 2.468 1.00 31.32 C ATOM 295 CE2 TYR A 22 7.190 -7.712 4.796 1.00 75.32 C ATOM 296 CZ TYR A 22 6.474 -7.889 3.653 1.00 63.34 C ATOM 297 OH TYR A 22 5.366 -8.676 3.696 1.00 60.31 O ATOM 0 H TYR A 22 8.832 -3.951 1.695 1.00 22.43 H new ATOM 0 HA TYR A 22 9.381 -3.594 4.607 1.00 2.32 H new ATOM 0 HB2 TYR A 22 10.524 -5.594 2.589 1.00 51.25 H new ATOM 0 HB3 TYR A 22 10.649 -5.675 4.335 1.00 51.25 H new ATOM 0 HD1 TYR A 22 8.284 -6.014 1.494 1.00 24.04 H new ATOM 0 HD2 TYR A 22 8.949 -6.722 5.643 1.00 60.10 H new ATOM 0 HE1 TYR A 22 6.222 -7.481 1.582 1.00 31.32 H new ATOM 0 HE2 TYR A 22 6.885 -8.186 5.717 1.00 75.32 H new ATOM 0 HH TYR A 22 4.878 -8.509 4.530 1.00 60.31 H new ATOM 307 N LYS A 23 11.701 -2.757 4.287 1.00 61.41 N ATOM 308 CA LYS A 23 12.933 -2.010 4.099 1.00 60.32 C ATOM 309 C LYS A 23 14.126 -2.957 4.246 1.00 0.24 C ATOM 310 O LYS A 23 14.364 -3.498 5.325 1.00 32.01 O ATOM 311 CB LYS A 23 12.981 -0.809 5.045 1.00 54.43 C ATOM 312 CG LYS A 23 13.720 0.366 4.402 1.00 41.44 C ATOM 313 CD LYS A 23 14.373 1.252 5.465 1.00 31.42 C ATOM 314 CE LYS A 23 13.454 2.412 5.852 1.00 41.32 C ATOM 315 NZ LYS A 23 13.925 3.052 7.101 1.00 51.25 N ATOM 0 H LYS A 23 11.475 -2.970 5.259 1.00 61.41 H new ATOM 0 HA LYS A 23 12.977 -1.595 3.092 1.00 60.32 H new ATOM 0 HB2 LYS A 23 11.967 -0.506 5.306 1.00 54.43 H new ATOM 0 HB3 LYS A 23 13.478 -1.092 5.973 1.00 54.43 H new ATOM 0 HG2 LYS A 23 14.482 -0.009 3.718 1.00 41.44 H new ATOM 0 HG3 LYS A 23 13.023 0.958 3.809 1.00 41.44 H new ATOM 0 HD2 LYS A 23 14.604 0.656 6.348 1.00 31.42 H new ATOM 0 HD3 LYS A 23 15.318 1.642 5.088 1.00 31.42 H new ATOM 0 HE2 LYS A 23 13.428 3.147 5.047 1.00 41.32 H new ATOM 0 HE3 LYS A 23 12.435 2.048 5.985 1.00 41.32 H new ATOM 0 HZ1 LYS A 23 13.290 3.837 7.349 1.00 51.25 H new ATOM 0 HZ2 LYS A 23 13.927 2.352 7.870 1.00 51.25 H new ATOM 0 HZ3 LYS A 23 14.889 3.417 6.962 1.00 51.25 H new ATOM 328 N LEU A 24 14.845 -3.128 3.147 1.00 53.54 N ATOM 329 CA LEU A 24 16.007 -3.999 3.140 1.00 22.30 C ATOM 330 C LEU A 24 17.273 -3.155 3.301 1.00 21.34 C ATOM 331 O LEU A 24 17.613 -2.365 2.422 1.00 12.13 O ATOM 332 CB LEU A 24 16.010 -4.879 1.888 1.00 21.13 C ATOM 333 CG LEU A 24 17.239 -5.770 1.698 1.00 62.15 C ATOM 334 CD1 LEU A 24 18.352 -5.019 0.964 1.00 23.14 C ATOM 335 CD2 LEU A 24 17.716 -6.340 3.035 1.00 5.40 C ATOM 0 H LEU A 24 14.645 -2.677 2.254 1.00 53.54 H new ATOM 0 HA LEU A 24 15.972 -4.687 3.985 1.00 22.30 H new ATOM 0 HB2 LEU A 24 15.125 -5.515 1.913 1.00 21.13 H new ATOM 0 HB3 LEU A 24 15.915 -4.234 1.014 1.00 21.13 H new ATOM 0 HG LEU A 24 16.954 -6.616 1.072 1.00 62.15 H new ATOM 0 HD11 LEU A 24 19.214 -5.675 0.842 1.00 23.14 H new ATOM 0 HD12 LEU A 24 17.994 -4.704 -0.016 1.00 23.14 H new ATOM 0 HD13 LEU A 24 18.642 -4.142 1.543 1.00 23.14 H new ATOM 0 HD21 LEU A 24 18.591 -6.969 2.871 1.00 5.40 H new ATOM 0 HD22 LEU A 24 17.978 -5.522 3.706 1.00 5.40 H new ATOM 0 HD23 LEU A 24 16.919 -6.935 3.482 1.00 5.40 H new ATOM 347 N ILE A 25 17.937 -3.352 4.431 1.00 12.21 N ATOM 348 CA ILE A 25 19.158 -2.619 4.719 1.00 12.40 C ATOM 349 C ILE A 25 20.337 -3.593 4.755 1.00 75.41 C ATOM 350 O ILE A 25 20.310 -4.578 5.492 1.00 5.31 O ATOM 351 CB ILE A 25 19.000 -1.797 6.000 1.00 20.11 C ATOM 352 CG1 ILE A 25 17.885 -0.759 5.852 1.00 24.42 C ATOM 353 CG2 ILE A 25 20.329 -1.157 6.408 1.00 35.01 C ATOM 354 CD1 ILE A 25 17.194 -0.503 7.193 1.00 73.03 C ATOM 0 H ILE A 25 17.652 -4.009 5.158 1.00 12.21 H new ATOM 0 HA ILE A 25 19.364 -1.898 3.928 1.00 12.40 H new ATOM 0 HB ILE A 25 18.707 -2.471 6.805 1.00 20.11 H new ATOM 0 HG12 ILE A 25 18.300 0.173 5.468 1.00 24.42 H new ATOM 0 HG13 ILE A 25 17.154 -1.107 5.122 1.00 24.42 H new ATOM 0 HG21 ILE A 25 20.189 -0.578 7.321 1.00 35.01 H new ATOM 0 HG22 ILE A 25 21.070 -1.937 6.583 1.00 35.01 H new ATOM 0 HG23 ILE A 25 20.676 -0.499 5.611 1.00 35.01 H new ATOM 0 HD11 ILE A 25 16.406 0.238 7.061 1.00 73.03 H new ATOM 0 HD12 ILE A 25 16.760 -1.432 7.562 1.00 73.03 H new ATOM 0 HD13 ILE A 25 17.923 -0.132 7.913 1.00 73.03 H new ATOM 366 N LEU A 26 21.342 -3.286 3.949 1.00 3.32 N ATOM 367 CA LEU A 26 22.528 -4.122 3.879 1.00 23.34 C ATOM 368 C LEU A 26 23.724 -3.352 4.442 1.00 4.13 C ATOM 369 O LEU A 26 24.186 -2.386 3.837 1.00 53.24 O ATOM 370 CB LEU A 26 22.741 -4.632 2.453 1.00 42.04 C ATOM 371 CG LEU A 26 21.473 -4.953 1.659 1.00 42.54 C ATOM 372 CD1 LEU A 26 20.944 -3.707 0.944 1.00 23.41 C ATOM 373 CD2 LEU A 26 21.712 -6.112 0.689 1.00 12.21 C ATOM 0 H LEU A 26 21.360 -2.469 3.338 1.00 3.32 H new ATOM 0 HA LEU A 26 22.403 -5.012 4.496 1.00 23.34 H new ATOM 0 HB2 LEU A 26 23.311 -3.884 1.902 1.00 42.04 H new ATOM 0 HB3 LEU A 26 23.355 -5.531 2.498 1.00 42.04 H new ATOM 0 HG LEU A 26 20.703 -5.274 2.360 1.00 42.54 H new ATOM 0 HD11 LEU A 26 20.043 -3.962 0.387 1.00 23.41 H new ATOM 0 HD12 LEU A 26 20.710 -2.937 1.679 1.00 23.41 H new ATOM 0 HD13 LEU A 26 21.702 -3.333 0.256 1.00 23.41 H new ATOM 0 HD21 LEU A 26 20.795 -6.320 0.137 1.00 12.21 H new ATOM 0 HD22 LEU A 26 22.504 -5.844 -0.011 1.00 12.21 H new ATOM 0 HD23 LEU A 26 22.008 -7.000 1.248 1.00 12.21 H new ATOM 385 N ASN A 27 24.192 -3.808 5.595 1.00 64.54 N ATOM 386 CA ASN A 27 25.326 -3.174 6.246 1.00 70.31 C ATOM 387 C ASN A 27 26.573 -4.038 6.044 1.00 10.44 C ATOM 388 O ASN A 27 26.760 -5.036 6.738 1.00 0.23 O ATOM 389 CB ASN A 27 25.088 -3.032 7.750 1.00 13.15 C ATOM 390 CG ASN A 27 24.576 -1.632 8.094 1.00 3.55 C ATOM 391 OD1 ASN A 27 25.124 -0.623 7.681 1.00 65.25 O ATOM 392 ND2 ASN A 27 23.498 -1.626 8.873 1.00 50.51 N ATOM 0 H ASN A 27 23.806 -4.609 6.095 1.00 64.54 H new ATOM 0 HA ASN A 27 25.458 -2.185 5.807 1.00 70.31 H new ATOM 0 HB2 ASN A 27 24.365 -3.779 8.080 1.00 13.15 H new ATOM 0 HB3 ASN A 27 26.015 -3.227 8.289 1.00 13.15 H new ATOM 0 HD21 ASN A 27 23.081 -0.740 9.160 1.00 50.51 H new ATOM 0 HD22 ASN A 27 23.088 -2.507 9.184 1.00 50.51 H new ATOM 399 N GLY A 28 27.394 -3.622 5.091 1.00 12.32 N ATOM 400 CA GLY A 28 28.618 -4.345 4.790 1.00 53.54 C ATOM 401 C GLY A 28 29.796 -3.383 4.626 1.00 43.33 C ATOM 402 O GLY A 28 29.609 -2.221 4.266 1.00 21.41 O ATOM 0 H GLY A 28 27.236 -2.794 4.517 1.00 12.32 H new ATOM 0 HA2 GLY A 28 28.832 -5.054 5.590 1.00 53.54 H new ATOM 0 HA3 GLY A 28 28.487 -4.925 3.876 1.00 53.54 H new ATOM 406 N LYS A 29 30.985 -3.902 4.897 1.00 14.14 N ATOM 407 CA LYS A 29 32.194 -3.104 4.785 1.00 54.34 C ATOM 408 C LYS A 29 32.443 -2.768 3.313 1.00 75.22 C ATOM 409 O LYS A 29 32.901 -1.673 2.991 1.00 64.30 O ATOM 410 CB LYS A 29 33.369 -3.813 5.461 1.00 13.51 C ATOM 411 CG LYS A 29 32.977 -4.319 6.851 1.00 72.54 C ATOM 412 CD LYS A 29 32.383 -3.193 7.698 1.00 53.40 C ATOM 413 CE LYS A 29 30.854 -3.204 7.632 1.00 62.33 C ATOM 414 NZ LYS A 29 30.276 -2.815 8.937 1.00 11.13 N ATOM 0 H LYS A 29 31.137 -4.866 5.194 1.00 14.14 H new ATOM 0 HA LYS A 29 32.076 -2.158 5.313 1.00 54.34 H new ATOM 0 HB2 LYS A 29 33.697 -4.650 4.844 1.00 13.51 H new ATOM 0 HB3 LYS A 29 34.213 -3.128 5.544 1.00 13.51 H new ATOM 0 HG2 LYS A 29 32.253 -5.128 6.756 1.00 72.54 H new ATOM 0 HG3 LYS A 29 33.853 -4.732 7.352 1.00 72.54 H new ATOM 0 HD2 LYS A 29 32.707 -3.303 8.733 1.00 53.40 H new ATOM 0 HD3 LYS A 29 32.759 -2.232 7.347 1.00 53.40 H new ATOM 0 HE2 LYS A 29 30.513 -2.517 6.857 1.00 62.33 H new ATOM 0 HE3 LYS A 29 30.503 -4.198 7.354 1.00 62.33 H new ATOM 0 HZ1 LYS A 29 29.238 -2.828 8.875 1.00 11.13 H new ATOM 0 HZ2 LYS A 29 30.587 -3.486 9.668 1.00 11.13 H new ATOM 0 HZ3 LYS A 29 30.596 -1.858 9.187 1.00 11.13 H new ATOM 427 N THR A 30 32.129 -3.731 2.458 1.00 11.03 N ATOM 428 CA THR A 30 32.313 -3.551 1.028 1.00 32.51 C ATOM 429 C THR A 30 30.975 -3.245 0.353 1.00 53.13 C ATOM 430 O THR A 30 30.940 -2.646 -0.721 1.00 61.54 O ATOM 431 CB THR A 30 32.998 -4.804 0.479 1.00 72.33 C ATOM 432 OG1 THR A 30 31.968 -5.789 0.474 1.00 22.43 O ATOM 433 CG2 THR A 30 34.048 -5.367 1.439 1.00 15.33 C ATOM 0 H THR A 30 31.749 -4.638 2.728 1.00 11.03 H new ATOM 0 HA THR A 30 32.952 -2.694 0.816 1.00 32.51 H new ATOM 0 HB THR A 30 33.469 -4.571 -0.476 1.00 72.33 H new ATOM 0 HG1 THR A 30 32.325 -6.634 0.130 1.00 22.43 H new ATOM 0 HG21 THR A 30 34.503 -6.255 1.000 1.00 15.33 H new ATOM 0 HG22 THR A 30 34.817 -4.616 1.618 1.00 15.33 H new ATOM 0 HG23 THR A 30 33.573 -5.632 2.384 1.00 15.33 H new ATOM 441 N LEU A 31 29.906 -3.669 1.010 1.00 15.13 N ATOM 442 CA LEU A 31 28.568 -3.447 0.487 1.00 63.21 C ATOM 443 C LEU A 31 27.685 -2.857 1.588 1.00 25.25 C ATOM 444 O LEU A 31 27.259 -3.570 2.495 1.00 32.15 O ATOM 445 CB LEU A 31 28.012 -4.735 -0.124 1.00 14.23 C ATOM 446 CG LEU A 31 27.236 -4.576 -1.433 1.00 44.33 C ATOM 447 CD1 LEU A 31 26.455 -3.261 -1.451 1.00 40.54 C ATOM 448 CD2 LEU A 31 28.167 -4.706 -2.641 1.00 20.24 C ATOM 0 H LEU A 31 29.939 -4.165 1.900 1.00 15.13 H new ATOM 0 HA LEU A 31 28.592 -2.720 -0.325 1.00 63.21 H new ATOM 0 HB2 LEU A 31 28.843 -5.419 -0.298 1.00 14.23 H new ATOM 0 HB3 LEU A 31 27.357 -5.208 0.608 1.00 14.23 H new ATOM 0 HG LEU A 31 26.507 -5.384 -1.499 1.00 44.33 H new ATOM 0 HD11 LEU A 31 25.912 -3.173 -2.392 1.00 40.54 H new ATOM 0 HD12 LEU A 31 25.748 -3.246 -0.622 1.00 40.54 H new ATOM 0 HD13 LEU A 31 27.148 -2.425 -1.352 1.00 40.54 H new ATOM 0 HD21 LEU A 31 27.591 -4.589 -3.559 1.00 20.24 H new ATOM 0 HD22 LEU A 31 28.935 -3.934 -2.594 1.00 20.24 H new ATOM 0 HD23 LEU A 31 28.640 -5.688 -2.632 1.00 20.24 H new ATOM 460 N LYS A 32 27.438 -1.561 1.473 1.00 13.22 N ATOM 461 CA LYS A 32 26.613 -0.867 2.448 1.00 4.21 C ATOM 462 C LYS A 32 25.600 0.016 1.717 1.00 43.24 C ATOM 463 O LYS A 32 25.979 0.866 0.912 1.00 61.54 O ATOM 464 CB LYS A 32 27.489 -0.103 3.444 1.00 61.24 C ATOM 465 CG LYS A 32 28.793 0.356 2.787 1.00 15.31 C ATOM 466 CD LYS A 32 29.736 0.980 3.818 1.00 34.32 C ATOM 467 CE LYS A 32 30.918 1.669 3.134 1.00 73.12 C ATOM 468 NZ LYS A 32 31.873 0.665 2.614 1.00 73.04 N ATOM 0 H LYS A 32 27.794 -0.973 0.720 1.00 13.22 H new ATOM 0 HA LYS A 32 26.043 -1.581 3.042 1.00 4.21 H new ATOM 0 HB2 LYS A 32 26.945 0.762 3.824 1.00 61.24 H new ATOM 0 HB3 LYS A 32 27.713 -0.740 4.300 1.00 61.24 H new ATOM 0 HG2 LYS A 32 29.282 -0.493 2.308 1.00 15.31 H new ATOM 0 HG3 LYS A 32 28.574 1.081 2.003 1.00 15.31 H new ATOM 0 HD2 LYS A 32 29.190 1.703 4.424 1.00 34.32 H new ATOM 0 HD3 LYS A 32 30.102 0.208 4.495 1.00 34.32 H new ATOM 0 HE2 LYS A 32 30.559 2.295 2.317 1.00 73.12 H new ATOM 0 HE3 LYS A 32 31.422 2.327 3.842 1.00 73.12 H new ATOM 0 HZ1 LYS A 32 32.832 1.068 2.609 1.00 73.04 H new ATOM 0 HZ2 LYS A 32 31.855 -0.179 3.222 1.00 73.04 H new ATOM 0 HZ3 LYS A 32 31.604 0.399 1.645 1.00 73.04 H new ATOM 481 N GLY A 33 24.332 -0.215 2.023 1.00 42.30 N ATOM 482 CA GLY A 33 23.262 0.549 1.405 1.00 51.22 C ATOM 483 C GLY A 33 21.898 0.125 1.953 1.00 31.21 C ATOM 484 O GLY A 33 21.813 -0.774 2.789 1.00 41.23 O ATOM 0 H GLY A 33 24.022 -0.921 2.691 1.00 42.30 H new ATOM 0 HA2 GLY A 33 23.417 1.612 1.588 1.00 51.22 H new ATOM 0 HA3 GLY A 33 23.285 0.405 0.325 1.00 51.22 H new ATOM 488 N GLU A 34 20.864 0.791 1.460 1.00 3.44 N ATOM 489 CA GLU A 34 19.509 0.495 1.890 1.00 35.55 C ATOM 490 C GLU A 34 18.579 0.389 0.680 1.00 53.20 C ATOM 491 O GLU A 34 18.961 0.745 -0.434 1.00 11.24 O ATOM 492 CB GLU A 34 19.004 1.547 2.879 1.00 1.43 C ATOM 493 CG GLU A 34 18.536 2.807 2.148 1.00 72.13 C ATOM 494 CD GLU A 34 18.897 4.066 2.938 1.00 12.21 C ATOM 495 OE1 GLU A 34 18.701 4.108 4.162 1.00 73.42 O ATOM 496 OE2 GLU A 34 19.399 5.025 2.236 1.00 24.04 O ATOM 0 H GLU A 34 20.938 1.535 0.766 1.00 3.44 H new ATOM 0 HA GLU A 34 19.515 -0.466 2.405 1.00 35.55 H new ATOM 0 HB2 GLU A 34 18.182 1.136 3.465 1.00 1.43 H new ATOM 0 HB3 GLU A 34 19.798 1.803 3.580 1.00 1.43 H new ATOM 0 HG2 GLU A 34 18.994 2.850 1.160 1.00 72.13 H new ATOM 0 HG3 GLU A 34 17.457 2.765 1.998 1.00 72.13 H new ATOM 504 N THR A 35 17.376 -0.101 0.939 1.00 34.40 N ATOM 505 CA THR A 35 16.388 -0.258 -0.115 1.00 62.15 C ATOM 506 C THR A 35 15.069 -0.775 0.462 1.00 50.23 C ATOM 507 O THR A 35 14.974 -1.045 1.658 1.00 61.10 O ATOM 508 CB THR A 35 16.983 -1.174 -1.187 1.00 54.24 C ATOM 509 OG1 THR A 35 15.864 -1.539 -1.991 1.00 20.52 O ATOM 510 CG2 THR A 35 17.479 -2.502 -0.613 1.00 70.30 C ATOM 0 H THR A 35 17.063 -0.395 1.864 1.00 34.40 H new ATOM 0 HA THR A 35 16.150 0.699 -0.579 1.00 62.15 H new ATOM 0 HB THR A 35 17.808 -0.663 -1.684 1.00 54.24 H new ATOM 0 HG1 THR A 35 16.160 -2.132 -2.713 1.00 20.52 H new ATOM 0 HG21 THR A 35 17.891 -3.114 -1.415 1.00 70.30 H new ATOM 0 HG22 THR A 35 18.252 -2.311 0.131 1.00 70.30 H new ATOM 0 HG23 THR A 35 16.648 -3.029 -0.145 1.00 70.30 H new ATOM 518 N THR A 36 14.084 -0.897 -0.416 1.00 14.44 N ATOM 519 CA THR A 36 12.774 -1.376 -0.008 1.00 71.22 C ATOM 520 C THR A 36 12.130 -2.189 -1.133 1.00 52.52 C ATOM 521 O THR A 36 12.462 -2.007 -2.304 1.00 21.15 O ATOM 522 CB THR A 36 11.941 -0.167 0.422 1.00 33.43 C ATOM 523 OG1 THR A 36 11.540 0.433 -0.806 1.00 54.11 O ATOM 524 CG2 THR A 36 12.783 0.911 1.106 1.00 4.04 C ATOM 0 H THR A 36 14.167 -0.673 -1.408 1.00 14.44 H new ATOM 0 HA THR A 36 12.848 -2.056 0.841 1.00 71.22 H new ATOM 0 HB THR A 36 11.151 -0.493 1.098 1.00 33.43 H new ATOM 0 HG1 THR A 36 10.993 1.225 -0.620 1.00 54.11 H new ATOM 0 HG21 THR A 36 12.143 1.746 1.391 1.00 4.04 H new ATOM 0 HG22 THR A 36 13.254 0.494 1.996 1.00 4.04 H new ATOM 0 HG23 THR A 36 13.553 1.262 0.419 1.00 4.04 H new ATOM 532 N THR A 37 11.220 -3.067 -0.739 1.00 73.12 N ATOM 533 CA THR A 37 10.526 -3.908 -1.700 1.00 11.02 C ATOM 534 C THR A 37 9.093 -4.176 -1.237 1.00 33.14 C ATOM 535 O THR A 37 8.812 -4.169 -0.039 1.00 52.51 O ATOM 536 CB THR A 37 11.350 -5.182 -1.895 1.00 30.23 C ATOM 537 OG1 THR A 37 10.731 -5.830 -3.003 1.00 44.42 O ATOM 538 CG2 THR A 37 11.178 -6.173 -0.741 1.00 42.23 C ATOM 0 H THR A 37 10.947 -3.215 0.233 1.00 73.12 H new ATOM 0 HA THR A 37 10.434 -3.412 -2.666 1.00 11.02 H new ATOM 0 HB THR A 37 12.403 -4.921 -1.996 1.00 30.23 H new ATOM 0 HG1 THR A 37 10.975 -6.779 -3.005 1.00 44.42 H new ATOM 0 HG21 THR A 37 11.784 -7.059 -0.929 1.00 42.23 H new ATOM 0 HG22 THR A 37 11.498 -5.706 0.190 1.00 42.23 H new ATOM 0 HG23 THR A 37 10.130 -6.460 -0.661 1.00 42.23 H new ATOM 546 N CYS A 38 8.224 -4.407 -2.210 1.00 13.12 N ATOM 547 CA CYS A 38 6.826 -4.677 -1.917 1.00 3.01 C ATOM 548 C CYS A 38 6.537 -6.139 -2.262 1.00 60.13 C ATOM 549 O CYS A 38 6.931 -6.620 -3.324 1.00 3.42 O ATOM 550 CB CYS A 38 5.896 -3.719 -2.664 1.00 64.13 C ATOM 551 SG CYS A 38 5.701 -2.075 -1.885 1.00 41.11 S ATOM 0 H CYS A 38 8.461 -4.413 -3.202 1.00 13.12 H new ATOM 0 HA CYS A 38 6.635 -4.510 -0.857 1.00 3.01 H new ATOM 0 HB2 CYS A 38 6.275 -3.583 -3.677 1.00 64.13 H new ATOM 0 HB3 CYS A 38 4.914 -4.183 -2.751 1.00 64.13 H new ATOM 556 N ALA A 39 5.851 -6.806 -1.346 1.00 13.31 N ATOM 557 CA ALA A 39 5.504 -8.203 -1.540 1.00 70.43 C ATOM 558 C ALA A 39 4.156 -8.487 -0.874 1.00 61.44 C ATOM 559 O ALA A 39 3.866 -7.960 0.198 1.00 23.04 O ATOM 560 CB ALA A 39 6.624 -9.089 -0.990 1.00 41.42 C ATOM 0 H ALA A 39 5.526 -6.404 -0.467 1.00 13.31 H new ATOM 0 HA ALA A 39 5.401 -8.429 -2.601 1.00 70.43 H new ATOM 0 HB1 ALA A 39 6.363 -10.137 -1.136 1.00 41.42 H new ATOM 0 HB2 ALA A 39 7.553 -8.870 -1.516 1.00 41.42 H new ATOM 0 HB3 ALA A 39 6.754 -8.892 0.074 1.00 41.42 H new ATOM 566 N VAL A 40 3.368 -9.320 -1.538 1.00 70.13 N ATOM 567 CA VAL A 40 2.058 -9.681 -1.024 1.00 54.52 C ATOM 568 C VAL A 40 2.225 -10.528 0.238 1.00 24.24 C ATOM 569 O VAL A 40 1.344 -10.552 1.096 1.00 71.31 O ATOM 570 CB VAL A 40 1.244 -10.384 -2.113 1.00 13.45 C ATOM 571 CG1 VAL A 40 0.690 -9.375 -3.121 1.00 13.24 C ATOM 572 CG2 VAL A 40 2.078 -11.458 -2.813 1.00 40.43 C ATOM 0 H VAL A 40 3.612 -9.755 -2.428 1.00 70.13 H new ATOM 0 HA VAL A 40 1.499 -8.788 -0.744 1.00 54.52 H new ATOM 0 HB VAL A 40 0.398 -10.877 -1.634 1.00 13.45 H new ATOM 0 HG11 VAL A 40 0.116 -9.901 -3.884 1.00 13.24 H new ATOM 0 HG12 VAL A 40 0.044 -8.664 -2.606 1.00 13.24 H new ATOM 0 HG13 VAL A 40 1.515 -8.841 -3.592 1.00 13.24 H new ATOM 0 HG21 VAL A 40 1.476 -11.942 -3.582 1.00 40.43 H new ATOM 0 HG22 VAL A 40 2.952 -10.997 -3.273 1.00 40.43 H new ATOM 0 HG23 VAL A 40 2.401 -12.201 -2.084 1.00 40.43 H new ATOM 582 N ASP A 41 3.363 -11.203 0.313 1.00 61.14 N ATOM 583 CA ASP A 41 3.658 -12.050 1.456 1.00 52.10 C ATOM 584 C ASP A 41 5.127 -11.879 1.846 1.00 23.33 C ATOM 585 O ASP A 41 5.988 -11.716 0.983 1.00 73.35 O ATOM 586 CB ASP A 41 3.425 -13.525 1.123 1.00 22.04 C ATOM 587 CG ASP A 41 1.980 -13.890 0.778 1.00 41.14 C ATOM 588 OD1 ASP A 41 1.707 -14.494 -0.271 1.00 2.45 O ATOM 589 OD2 ASP A 41 1.102 -13.523 1.649 1.00 71.35 O ATOM 0 H ASP A 41 4.092 -11.180 -0.400 1.00 61.14 H new ATOM 0 HA ASP A 41 2.998 -11.757 2.273 1.00 52.10 H new ATOM 0 HB2 ASP A 41 4.063 -13.797 0.282 1.00 22.04 H new ATOM 0 HB3 ASP A 41 3.743 -14.128 1.973 1.00 22.04 H new ATOM 595 N ALA A 42 5.370 -11.923 3.148 1.00 15.41 N ATOM 596 CA ALA A 42 6.720 -11.775 3.663 1.00 1.24 C ATOM 597 C ALA A 42 7.612 -12.864 3.064 1.00 41.43 C ATOM 598 O ALA A 42 8.835 -12.730 3.047 1.00 53.02 O ATOM 599 CB ALA A 42 6.691 -11.821 5.192 1.00 22.24 C ATOM 0 H ALA A 42 4.654 -12.059 3.862 1.00 15.41 H new ATOM 0 HA ALA A 42 7.138 -10.811 3.374 1.00 1.24 H new ATOM 0 HB1 ALA A 42 7.704 -11.710 5.579 1.00 22.24 H new ATOM 0 HB2 ALA A 42 6.068 -11.010 5.569 1.00 22.24 H new ATOM 0 HB3 ALA A 42 6.280 -12.776 5.520 1.00 22.24 H new ATOM 605 N ALA A 43 6.966 -13.917 2.586 1.00 13.11 N ATOM 606 CA ALA A 43 7.685 -15.028 1.987 1.00 21.21 C ATOM 607 C ALA A 43 8.339 -14.564 0.684 1.00 53.20 C ATOM 608 O ALA A 43 9.464 -14.955 0.376 1.00 54.50 O ATOM 609 CB ALA A 43 6.726 -16.201 1.773 1.00 62.13 C ATOM 0 H ALA A 43 5.952 -14.024 2.601 1.00 13.11 H new ATOM 0 HA ALA A 43 8.479 -15.373 2.649 1.00 21.21 H new ATOM 0 HB1 ALA A 43 7.265 -17.035 1.324 1.00 62.13 H new ATOM 0 HB2 ALA A 43 6.312 -16.512 2.732 1.00 62.13 H new ATOM 0 HB3 ALA A 43 5.917 -15.893 1.111 1.00 62.13 H new ATOM 615 N THR A 44 7.606 -13.736 -0.046 1.00 75.53 N ATOM 616 CA THR A 44 8.100 -13.215 -1.309 1.00 52.32 C ATOM 617 C THR A 44 9.190 -12.169 -1.064 1.00 73.32 C ATOM 618 O THR A 44 10.216 -12.167 -1.742 1.00 50.42 O ATOM 619 CB THR A 44 6.905 -12.674 -2.097 1.00 42.23 C ATOM 620 OG1 THR A 44 6.274 -13.841 -2.615 1.00 74.42 O ATOM 621 CG2 THR A 44 7.330 -11.896 -3.344 1.00 42.23 C ATOM 0 H THR A 44 6.674 -13.413 0.213 1.00 75.53 H new ATOM 0 HA THR A 44 8.572 -13.998 -1.903 1.00 52.32 H new ATOM 0 HB THR A 44 6.307 -12.029 -1.453 1.00 42.23 H new ATOM 0 HG1 THR A 44 5.487 -13.582 -3.139 1.00 74.42 H new ATOM 0 HG21 THR A 44 6.444 -11.534 -3.866 1.00 42.23 H new ATOM 0 HG22 THR A 44 7.950 -11.049 -3.051 1.00 42.23 H new ATOM 0 HG23 THR A 44 7.899 -12.550 -4.005 1.00 42.23 H new ATOM 629 N ALA A 45 8.930 -11.306 -0.093 1.00 33.50 N ATOM 630 CA ALA A 45 9.876 -10.258 0.250 1.00 33.30 C ATOM 631 C ALA A 45 11.150 -10.891 0.812 1.00 62.42 C ATOM 632 O ALA A 45 12.253 -10.414 0.549 1.00 72.04 O ATOM 633 CB ALA A 45 9.225 -9.285 1.235 1.00 32.32 C ATOM 0 H ALA A 45 8.078 -11.311 0.467 1.00 33.50 H new ATOM 0 HA ALA A 45 10.155 -9.687 -0.636 1.00 33.30 H new ATOM 0 HB1 ALA A 45 9.935 -8.499 1.492 1.00 32.32 H new ATOM 0 HB2 ALA A 45 8.341 -8.841 0.777 1.00 32.32 H new ATOM 0 HB3 ALA A 45 8.935 -9.822 2.138 1.00 32.32 H new ATOM 639 N GLU A 46 10.957 -11.957 1.575 1.00 14.34 N ATOM 640 CA GLU A 46 12.077 -12.660 2.177 1.00 72.24 C ATOM 641 C GLU A 46 13.043 -13.143 1.093 1.00 24.13 C ATOM 642 O GLU A 46 14.256 -12.985 1.223 1.00 3.13 O ATOM 643 CB GLU A 46 11.592 -13.827 3.039 1.00 63.41 C ATOM 644 CG GLU A 46 12.746 -14.771 3.383 1.00 64.10 C ATOM 645 CD GLU A 46 12.580 -16.120 2.680 1.00 42.34 C ATOM 646 OE1 GLU A 46 11.626 -16.857 2.969 1.00 1.44 O ATOM 647 OE2 GLU A 46 13.486 -16.392 1.802 1.00 31.23 O ATOM 0 H GLU A 46 10.041 -12.351 1.790 1.00 14.34 H new ATOM 0 HA GLU A 46 12.609 -11.967 2.829 1.00 72.24 H new ATOM 0 HB2 GLU A 46 11.144 -13.445 3.956 1.00 63.41 H new ATOM 0 HB3 GLU A 46 10.814 -14.376 2.509 1.00 63.41 H new ATOM 0 HG2 GLU A 46 13.692 -14.317 3.088 1.00 64.10 H new ATOM 0 HG3 GLU A 46 12.788 -14.922 4.462 1.00 64.10 H new ATOM 655 N LYS A 47 12.470 -13.722 0.049 1.00 71.41 N ATOM 656 CA LYS A 47 13.266 -14.229 -1.056 1.00 74.42 C ATOM 657 C LYS A 47 14.066 -13.080 -1.672 1.00 72.13 C ATOM 658 O LYS A 47 15.268 -13.208 -1.900 1.00 74.14 O ATOM 659 CB LYS A 47 12.379 -14.969 -2.060 1.00 53.20 C ATOM 660 CG LYS A 47 11.549 -16.051 -1.366 1.00 11.32 C ATOM 661 CD LYS A 47 10.207 -16.251 -2.073 1.00 11.41 C ATOM 662 CE LYS A 47 10.291 -17.383 -3.098 1.00 51.04 C ATOM 663 NZ LYS A 47 10.894 -16.896 -4.359 1.00 73.45 N ATOM 0 H LYS A 47 11.464 -13.852 -0.056 1.00 71.41 H new ATOM 0 HA LYS A 47 13.987 -14.965 -0.700 1.00 74.42 H new ATOM 0 HB2 LYS A 47 11.716 -14.260 -2.557 1.00 53.20 H new ATOM 0 HB3 LYS A 47 12.999 -15.422 -2.834 1.00 53.20 H new ATOM 0 HG2 LYS A 47 12.103 -16.990 -1.358 1.00 11.32 H new ATOM 0 HG3 LYS A 47 11.378 -15.772 -0.326 1.00 11.32 H new ATOM 0 HD2 LYS A 47 9.435 -16.478 -1.338 1.00 11.41 H new ATOM 0 HD3 LYS A 47 9.912 -15.327 -2.570 1.00 11.41 H new ATOM 0 HE2 LYS A 47 10.887 -18.202 -2.696 1.00 51.04 H new ATOM 0 HE3 LYS A 47 9.295 -17.779 -3.294 1.00 51.04 H new ATOM 0 HZ1 LYS A 47 10.449 -17.379 -5.166 1.00 73.45 H new ATOM 0 HZ2 LYS A 47 10.742 -15.871 -4.443 1.00 73.45 H new ATOM 0 HZ3 LYS A 47 11.915 -17.096 -4.356 1.00 73.45 H new ATOM 676 N VAL A 48 13.367 -11.983 -1.924 1.00 72.11 N ATOM 677 CA VAL A 48 13.997 -10.812 -2.509 1.00 41.13 C ATOM 678 C VAL A 48 15.106 -10.317 -1.579 1.00 43.31 C ATOM 679 O VAL A 48 16.166 -9.895 -2.040 1.00 72.12 O ATOM 680 CB VAL A 48 12.943 -9.743 -2.805 1.00 30.02 C ATOM 681 CG1 VAL A 48 13.550 -8.575 -3.585 1.00 20.31 C ATOM 682 CG2 VAL A 48 11.750 -10.341 -3.553 1.00 62.52 C ATOM 0 H VAL A 48 12.370 -11.881 -1.734 1.00 72.11 H new ATOM 0 HA VAL A 48 14.461 -11.064 -3.463 1.00 41.13 H new ATOM 0 HB VAL A 48 12.581 -9.357 -1.852 1.00 30.02 H new ATOM 0 HG11 VAL A 48 12.780 -7.830 -3.782 1.00 20.31 H new ATOM 0 HG12 VAL A 48 14.351 -8.123 -2.999 1.00 20.31 H new ATOM 0 HG13 VAL A 48 13.953 -8.939 -4.530 1.00 20.31 H new ATOM 0 HG21 VAL A 48 11.016 -9.560 -3.751 1.00 62.52 H new ATOM 0 HG22 VAL A 48 12.089 -10.768 -4.497 1.00 62.52 H new ATOM 0 HG23 VAL A 48 11.294 -11.122 -2.945 1.00 62.52 H new ATOM 692 N PHE A 49 14.825 -10.384 -0.286 1.00 75.13 N ATOM 693 CA PHE A 49 15.785 -9.948 0.713 1.00 42.22 C ATOM 694 C PHE A 49 17.016 -10.857 0.724 1.00 52.21 C ATOM 695 O PHE A 49 18.143 -10.379 0.840 1.00 25.53 O ATOM 696 CB PHE A 49 15.088 -10.036 2.072 1.00 62.11 C ATOM 697 CG PHE A 49 16.031 -9.876 3.266 1.00 22.22 C ATOM 698 CD1 PHE A 49 17.198 -9.193 3.124 1.00 4.34 C ATOM 699 CD2 PHE A 49 15.702 -10.418 4.470 1.00 42.34 C ATOM 700 CE1 PHE A 49 18.073 -9.044 4.233 1.00 64.43 C ATOM 701 CE2 PHE A 49 16.577 -10.269 5.578 1.00 23.40 C ATOM 702 CZ PHE A 49 17.745 -9.586 5.436 1.00 15.11 C ATOM 0 H PHE A 49 13.945 -10.734 0.093 1.00 75.13 H new ATOM 0 HA PHE A 49 16.118 -8.934 0.492 1.00 42.22 H new ATOM 0 HB2 PHE A 49 14.318 -9.266 2.124 1.00 62.11 H new ATOM 0 HB3 PHE A 49 14.582 -10.999 2.148 1.00 62.11 H new ATOM 0 HD1 PHE A 49 17.460 -8.764 2.168 1.00 4.34 H new ATOM 0 HD2 PHE A 49 14.775 -10.961 4.583 1.00 42.34 H new ATOM 0 HE1 PHE A 49 18.999 -8.500 4.121 1.00 64.43 H new ATOM 0 HE2 PHE A 49 16.315 -10.698 6.534 1.00 23.40 H new ATOM 0 HZ PHE A 49 18.411 -9.474 6.279 1.00 15.11 H new ATOM 712 N LYS A 50 16.758 -12.150 0.601 1.00 35.53 N ATOM 713 CA LYS A 50 17.830 -13.131 0.596 1.00 42.42 C ATOM 714 C LYS A 50 18.634 -12.993 -0.699 1.00 21.13 C ATOM 715 O LYS A 50 19.846 -13.205 -0.707 1.00 33.14 O ATOM 716 CB LYS A 50 17.273 -14.536 0.827 1.00 34.51 C ATOM 717 CG LYS A 50 16.438 -14.591 2.108 1.00 22.44 C ATOM 718 CD LYS A 50 17.267 -15.121 3.280 1.00 2.23 C ATOM 719 CE LYS A 50 16.654 -14.703 4.618 1.00 5.24 C ATOM 720 NZ LYS A 50 17.716 -14.329 5.580 1.00 34.22 N ATOM 0 H LYS A 50 15.821 -12.542 0.504 1.00 35.53 H new ATOM 0 HA LYS A 50 18.518 -12.948 1.421 1.00 42.42 H new ATOM 0 HB2 LYS A 50 16.660 -14.832 -0.024 1.00 34.51 H new ATOM 0 HB3 LYS A 50 18.094 -15.250 0.893 1.00 34.51 H new ATOM 0 HG2 LYS A 50 16.062 -13.596 2.344 1.00 22.44 H new ATOM 0 HG3 LYS A 50 15.570 -15.231 1.953 1.00 22.44 H new ATOM 0 HD2 LYS A 50 17.326 -16.208 3.226 1.00 2.23 H new ATOM 0 HD3 LYS A 50 18.287 -14.743 3.209 1.00 2.23 H new ATOM 0 HE2 LYS A 50 15.978 -13.861 4.468 1.00 5.24 H new ATOM 0 HE3 LYS A 50 16.059 -15.521 5.024 1.00 5.24 H new ATOM 0 HZ1 LYS A 50 17.345 -14.394 6.549 1.00 34.22 H new ATOM 0 HZ2 LYS A 50 18.523 -14.976 5.475 1.00 34.22 H new ATOM 0 HZ3 LYS A 50 18.027 -13.354 5.393 1.00 34.22 H new ATOM 733 N GLN A 51 17.927 -12.639 -1.762 1.00 23.11 N ATOM 734 CA GLN A 51 18.560 -12.471 -3.059 1.00 51.11 C ATOM 735 C GLN A 51 19.435 -11.216 -3.064 1.00 41.11 C ATOM 736 O GLN A 51 20.570 -11.248 -3.536 1.00 63.44 O ATOM 737 CB GLN A 51 17.515 -12.415 -4.175 1.00 63.25 C ATOM 738 CG GLN A 51 18.152 -12.702 -5.537 1.00 11.20 C ATOM 739 CD GLN A 51 19.315 -11.746 -5.811 1.00 14.43 C ATOM 740 OE1 GLN A 51 19.020 -10.464 -5.609 1.00 54.23 O flip ATOM 741 NE2 GLN A 51 20.407 -12.145 -6.180 1.00 62.33 N flip ATOM 0 H GLN A 51 16.922 -12.464 -1.752 1.00 23.11 H new ATOM 0 HA GLN A 51 19.197 -13.335 -3.245 1.00 51.11 H new ATOM 0 HB2 GLN A 51 16.727 -13.142 -3.977 1.00 63.25 H new ATOM 0 HB3 GLN A 51 17.045 -11.432 -4.189 1.00 63.25 H new ATOM 0 HG2 GLN A 51 18.508 -13.732 -5.566 1.00 11.20 H new ATOM 0 HG3 GLN A 51 17.402 -12.602 -6.322 1.00 11.20 H new ATOM 0 HE21 GLN A 51 20.566 -13.143 -6.316 1.00 62.33 H new ATOM 0 HE22 GLN A 51 21.161 -11.480 -6.353 1.00 62.33 H new ATOM 750 N TYR A 52 18.874 -10.140 -2.533 1.00 53.31 N ATOM 751 CA TYR A 52 19.589 -8.876 -2.470 1.00 72.34 C ATOM 752 C TYR A 52 20.899 -9.026 -1.695 1.00 45.13 C ATOM 753 O TYR A 52 21.961 -8.644 -2.185 1.00 3.24 O ATOM 754 CB TYR A 52 18.672 -7.910 -1.717 1.00 44.15 C ATOM 755 CG TYR A 52 18.549 -6.532 -2.371 1.00 63.22 C ATOM 756 CD1 TYR A 52 17.700 -6.351 -3.444 1.00 3.31 C ATOM 757 CD2 TYR A 52 19.287 -5.471 -1.888 1.00 4.40 C ATOM 758 CE1 TYR A 52 17.585 -5.054 -4.059 1.00 55.12 C ATOM 759 CE2 TYR A 52 19.172 -4.174 -2.503 1.00 54.12 C ATOM 760 CZ TYR A 52 18.326 -4.030 -3.559 1.00 11.55 C ATOM 761 OH TYR A 52 18.217 -2.805 -4.140 1.00 15.24 O ATOM 0 H TYR A 52 17.932 -10.117 -2.142 1.00 53.31 H new ATOM 0 HA TYR A 52 19.835 -8.523 -3.472 1.00 72.34 H new ATOM 0 HB2 TYR A 52 17.679 -8.354 -1.639 1.00 44.15 H new ATOM 0 HB3 TYR A 52 19.047 -7.787 -0.701 1.00 44.15 H new ATOM 0 HD1 TYR A 52 17.122 -7.181 -3.822 1.00 3.31 H new ATOM 0 HD2 TYR A 52 19.951 -5.613 -1.048 1.00 4.40 H new ATOM 0 HE1 TYR A 52 16.924 -4.898 -4.899 1.00 55.12 H new ATOM 0 HE2 TYR A 52 19.744 -3.335 -2.135 1.00 54.12 H new ATOM 0 HH TYR A 52 18.803 -2.170 -3.678 1.00 15.24 H new ATOM 771 N ALA A 53 20.782 -9.583 -0.499 1.00 10.22 N ATOM 772 CA ALA A 53 21.944 -9.788 0.349 1.00 43.32 C ATOM 773 C ALA A 53 22.955 -10.671 -0.385 1.00 24.35 C ATOM 774 O ALA A 53 24.163 -10.495 -0.234 1.00 44.32 O ATOM 775 CB ALA A 53 21.503 -10.391 1.684 1.00 51.03 C ATOM 0 H ALA A 53 19.900 -9.899 -0.097 1.00 10.22 H new ATOM 0 HA ALA A 53 22.433 -8.838 0.567 1.00 43.32 H new ATOM 0 HB1 ALA A 53 22.375 -10.545 2.320 1.00 51.03 H new ATOM 0 HB2 ALA A 53 20.809 -9.712 2.178 1.00 51.03 H new ATOM 0 HB3 ALA A 53 21.011 -11.347 1.506 1.00 51.03 H new ATOM 781 N ASN A 54 22.424 -11.603 -1.162 1.00 63.22 N ATOM 782 CA ASN A 54 23.265 -12.515 -1.919 1.00 43.22 C ATOM 783 C ASN A 54 23.992 -11.737 -3.019 1.00 31.54 C ATOM 784 O ASN A 54 25.179 -11.955 -3.256 1.00 40.43 O ATOM 785 CB ASN A 54 22.430 -13.609 -2.587 1.00 11.20 C ATOM 786 CG ASN A 54 23.248 -14.357 -3.641 1.00 24.42 C ATOM 787 OD1 ASN A 54 24.405 -14.692 -3.444 1.00 1.43 O ATOM 788 ND2 ASN A 54 22.586 -14.601 -4.768 1.00 33.12 N ATOM 0 H ASN A 54 21.422 -11.747 -1.284 1.00 63.22 H new ATOM 0 HA ASN A 54 23.973 -12.973 -1.228 1.00 43.22 H new ATOM 0 HB2 ASN A 54 22.074 -14.311 -1.833 1.00 11.20 H new ATOM 0 HB3 ASN A 54 21.549 -13.166 -3.052 1.00 11.20 H new ATOM 0 HD21 ASN A 54 23.045 -15.096 -5.532 1.00 33.12 H new ATOM 0 HD22 ASN A 54 21.619 -14.293 -4.868 1.00 33.12 H new ATOM 795 N ASP A 55 23.249 -10.848 -3.660 1.00 13.41 N ATOM 796 CA ASP A 55 23.807 -10.037 -4.729 1.00 3.15 C ATOM 797 C ASP A 55 24.952 -9.187 -4.173 1.00 11.00 C ATOM 798 O ASP A 55 25.815 -8.734 -4.924 1.00 33.43 O ATOM 799 CB ASP A 55 22.755 -9.091 -5.310 1.00 11.33 C ATOM 800 CG ASP A 55 23.201 -8.308 -6.546 1.00 44.21 C ATOM 801 OD1 ASP A 55 23.130 -8.808 -7.679 1.00 13.53 O ATOM 802 OD2 ASP A 55 23.644 -7.120 -6.308 1.00 44.24 O ATOM 0 H ASP A 55 22.265 -10.671 -3.460 1.00 13.41 H new ATOM 0 HA ASP A 55 24.160 -10.708 -5.512 1.00 3.15 H new ATOM 0 HB2 ASP A 55 21.869 -9.671 -5.566 1.00 11.33 H new ATOM 0 HB3 ASP A 55 22.459 -8.382 -4.537 1.00 11.33 H new ATOM 808 N ASN A 56 24.922 -8.996 -2.862 1.00 42.23 N ATOM 809 CA ASN A 56 25.946 -8.208 -2.197 1.00 65.25 C ATOM 810 C ASN A 56 27.079 -9.131 -1.744 1.00 20.44 C ATOM 811 O ASN A 56 28.189 -8.673 -1.476 1.00 34.13 O ATOM 812 CB ASN A 56 25.384 -7.506 -0.960 1.00 4.20 C ATOM 813 CG ASN A 56 24.359 -6.440 -1.353 1.00 5.14 C ATOM 814 OD1 ASN A 56 23.618 -6.765 -2.408 1.00 50.32 O flip ATOM 815 ND2 ASN A 56 24.249 -5.392 -0.738 1.00 22.01 N flip ATOM 0 H ASN A 56 24.205 -9.373 -2.243 1.00 42.23 H new ATOM 0 HA ASN A 56 26.307 -7.460 -2.902 1.00 65.25 H new ATOM 0 HB2 ASN A 56 24.918 -8.239 -0.302 1.00 4.20 H new ATOM 0 HB3 ASN A 56 26.197 -7.045 -0.398 1.00 4.20 H new ATOM 0 HD21 ASN A 56 24.851 -5.206 0.064 1.00 22.01 H new ATOM 0 HD22 ASN A 56 23.555 -4.702 -1.026 1.00 22.01 H new ATOM 822 N GLY A 57 26.760 -10.415 -1.671 1.00 71.20 N ATOM 823 CA GLY A 57 27.737 -11.407 -1.254 1.00 52.12 C ATOM 824 C GLY A 57 28.143 -11.196 0.206 1.00 44.03 C ATOM 825 O GLY A 57 29.219 -11.623 0.622 1.00 43.21 O ATOM 0 H GLY A 57 25.839 -10.791 -1.894 1.00 71.20 H new ATOM 0 HA2 GLY A 57 27.321 -12.407 -1.379 1.00 52.12 H new ATOM 0 HA3 GLY A 57 28.618 -11.346 -1.893 1.00 52.12 H new ATOM 829 N VAL A 58 27.261 -10.538 0.943 1.00 3.22 N ATOM 830 CA VAL A 58 27.515 -10.265 2.348 1.00 70.13 C ATOM 831 C VAL A 58 26.556 -11.094 3.205 1.00 42.11 C ATOM 832 O VAL A 58 25.355 -11.130 2.941 1.00 64.20 O ATOM 833 CB VAL A 58 27.410 -8.762 2.616 1.00 22.53 C ATOM 834 CG1 VAL A 58 27.527 -8.463 4.112 1.00 21.52 C ATOM 835 CG2 VAL A 58 28.462 -7.988 1.819 1.00 75.45 C ATOM 0 H VAL A 58 26.370 -10.186 0.594 1.00 3.22 H new ATOM 0 HA VAL A 58 28.529 -10.559 2.618 1.00 70.13 H new ATOM 0 HB VAL A 58 26.426 -8.430 2.283 1.00 22.53 H new ATOM 0 HG11 VAL A 58 27.449 -7.388 4.275 1.00 21.52 H new ATOM 0 HG12 VAL A 58 26.725 -8.971 4.648 1.00 21.52 H new ATOM 0 HG13 VAL A 58 28.490 -8.817 4.480 1.00 21.52 H new ATOM 0 HG21 VAL A 58 28.365 -6.923 2.028 1.00 75.45 H new ATOM 0 HG22 VAL A 58 29.458 -8.325 2.107 1.00 75.45 H new ATOM 0 HG23 VAL A 58 28.313 -8.164 0.754 1.00 75.45 H new ATOM 845 N ASP A 59 27.123 -11.739 4.214 1.00 74.21 N ATOM 846 CA ASP A 59 26.333 -12.565 5.112 1.00 61.25 C ATOM 847 C ASP A 59 26.902 -12.459 6.528 1.00 54.10 C ATOM 848 O ASP A 59 28.101 -12.636 6.734 1.00 21.53 O ATOM 849 CB ASP A 59 26.381 -14.036 4.692 1.00 2.30 C ATOM 850 CG ASP A 59 25.662 -14.358 3.381 1.00 54.02 C ATOM 851 OD1 ASP A 59 26.152 -15.148 2.560 1.00 4.43 O ATOM 852 OD2 ASP A 59 24.535 -13.752 3.214 1.00 20.10 O ATOM 0 H ASP A 59 28.119 -11.707 4.430 1.00 74.21 H new ATOM 0 HA ASP A 59 25.302 -12.213 5.076 1.00 61.25 H new ATOM 0 HB2 ASP A 59 27.424 -14.338 4.600 1.00 2.30 H new ATOM 0 HB3 ASP A 59 25.943 -14.640 5.487 1.00 2.30 H new ATOM 858 N GLY A 60 26.013 -12.170 7.467 1.00 3.55 N ATOM 859 CA GLY A 60 26.412 -12.037 8.859 1.00 75.43 C ATOM 860 C GLY A 60 25.206 -12.180 9.790 1.00 50.20 C ATOM 861 O GLY A 60 24.572 -13.233 9.834 1.00 24.23 O ATOM 0 H GLY A 60 25.019 -12.024 7.292 1.00 3.55 H new ATOM 0 HA2 GLY A 60 27.156 -12.796 9.102 1.00 75.43 H new ATOM 0 HA3 GLY A 60 26.884 -11.067 9.015 1.00 75.43 H new ATOM 865 N GLU A 61 24.925 -11.104 10.511 1.00 23.41 N ATOM 866 CA GLU A 61 23.807 -11.096 11.439 1.00 60.31 C ATOM 867 C GLU A 61 22.561 -10.520 10.763 1.00 30.42 C ATOM 868 O GLU A 61 22.520 -9.336 10.435 1.00 11.43 O ATOM 869 CB GLU A 61 24.153 -10.315 12.708 1.00 41.01 C ATOM 870 CG GLU A 61 23.126 -10.578 13.811 1.00 53.42 C ATOM 871 CD GLU A 61 23.201 -9.503 14.898 1.00 65.52 C ATOM 872 OE1 GLU A 61 24.300 -9.176 15.370 1.00 43.20 O ATOM 873 OE2 GLU A 61 22.066 -9.003 15.250 1.00 51.12 O ATOM 0 H GLU A 61 25.452 -10.232 10.471 1.00 23.41 H new ATOM 0 HA GLU A 61 23.595 -12.124 11.732 1.00 60.31 H new ATOM 0 HB2 GLU A 61 25.146 -10.600 13.055 1.00 41.01 H new ATOM 0 HB3 GLU A 61 24.187 -9.249 12.485 1.00 41.01 H new ATOM 0 HG2 GLU A 61 22.124 -10.598 13.383 1.00 53.42 H new ATOM 0 HG3 GLU A 61 23.304 -11.559 14.252 1.00 53.42 H new ATOM 881 N TRP A 62 21.576 -11.386 10.575 1.00 15.30 N ATOM 882 CA TRP A 62 20.332 -10.978 9.944 1.00 14.13 C ATOM 883 C TRP A 62 19.327 -10.647 11.050 1.00 60.40 C ATOM 884 O TRP A 62 19.060 -11.476 11.919 1.00 2.11 O ATOM 885 CB TRP A 62 19.827 -12.054 8.980 1.00 3.53 C ATOM 886 CG TRP A 62 20.753 -12.304 7.788 1.00 55.33 C ATOM 887 CD1 TRP A 62 22.052 -12.632 7.806 1.00 53.31 C ATOM 888 CD2 TRP A 62 20.394 -12.232 6.392 1.00 70.45 C ATOM 889 NE1 TRP A 62 22.555 -12.776 6.529 1.00 72.40 N ATOM 890 CE2 TRP A 62 21.515 -12.526 5.642 1.00 55.04 C ATOM 891 CE3 TRP A 62 19.163 -11.930 5.783 1.00 63.05 C ATOM 892 CZ2 TRP A 62 21.517 -12.546 4.242 1.00 55.23 C ATOM 893 CZ3 TRP A 62 19.182 -11.954 4.383 1.00 70.02 C ATOM 894 CH2 TRP A 62 20.302 -12.247 3.613 1.00 33.53 C ATOM 0 H TRP A 62 21.614 -12.368 10.848 1.00 15.30 H new ATOM 0 HA TRP A 62 20.483 -10.088 9.333 1.00 14.13 H new ATOM 0 HB2 TRP A 62 19.697 -12.987 9.528 1.00 3.53 H new ATOM 0 HB3 TRP A 62 18.844 -11.763 8.609 1.00 3.53 H new ATOM 0 HD1 TRP A 62 22.632 -12.767 8.707 1.00 53.31 H new ATOM 0 HE1 TRP A 62 23.514 -13.021 6.282 1.00 72.40 H new ATOM 0 HE3 TRP A 62 18.274 -11.698 6.350 1.00 63.05 H new ATOM 0 HZ2 TRP A 62 22.408 -12.779 3.678 1.00 55.23 H new ATOM 0 HZ3 TRP A 62 18.262 -11.729 3.865 1.00 70.02 H new ATOM 0 HH2 TRP A 62 20.235 -12.244 2.535 1.00 33.53 H new ATOM 905 N THR A 63 18.797 -9.435 10.981 1.00 62.00 N ATOM 906 CA THR A 63 17.828 -8.985 11.965 1.00 11.24 C ATOM 907 C THR A 63 16.648 -8.297 11.276 1.00 72.11 C ATOM 908 O THR A 63 16.841 -7.458 10.398 1.00 55.14 O ATOM 909 CB THR A 63 18.554 -8.085 12.967 1.00 24.33 C ATOM 910 OG1 THR A 63 17.520 -7.620 13.830 1.00 60.20 O ATOM 911 CG2 THR A 63 19.102 -6.811 12.321 1.00 74.11 C ATOM 0 H THR A 63 19.020 -8.751 10.259 1.00 62.00 H new ATOM 0 HA THR A 63 17.400 -9.826 12.511 1.00 11.24 H new ATOM 0 HB THR A 63 19.373 -8.640 13.425 1.00 24.33 H new ATOM 0 HG1 THR A 63 17.904 -7.030 14.512 1.00 60.20 H new ATOM 0 HG21 THR A 63 19.607 -6.209 13.076 1.00 74.11 H new ATOM 0 HG22 THR A 63 19.809 -7.077 11.535 1.00 74.11 H new ATOM 0 HG23 THR A 63 18.280 -6.239 11.891 1.00 74.11 H new ATOM 919 N TYR A 64 15.452 -8.678 11.700 1.00 30.51 N ATOM 920 CA TYR A 64 14.241 -8.109 11.134 1.00 34.15 C ATOM 921 C TYR A 64 13.265 -7.690 12.236 1.00 4.04 C ATOM 922 O TYR A 64 13.071 -8.418 13.208 1.00 21.34 O ATOM 923 CB TYR A 64 13.602 -9.221 10.300 1.00 34.13 C ATOM 924 CG TYR A 64 12.077 -9.130 10.205 1.00 44.42 C ATOM 925 CD1 TYR A 64 11.493 -8.332 9.242 1.00 71.43 C ATOM 926 CD2 TYR A 64 11.287 -9.844 11.082 1.00 71.53 C ATOM 927 CE1 TYR A 64 10.058 -8.246 9.152 1.00 63.41 C ATOM 928 CE2 TYR A 64 9.852 -9.758 10.992 1.00 63.42 C ATOM 929 CZ TYR A 64 9.309 -8.964 10.031 1.00 12.43 C ATOM 930 OH TYR A 64 7.954 -8.882 9.946 1.00 31.35 O ATOM 0 H TYR A 64 15.296 -9.374 12.429 1.00 30.51 H new ATOM 0 HA TYR A 64 14.473 -7.224 10.542 1.00 34.15 H new ATOM 0 HB2 TYR A 64 14.021 -9.193 9.294 1.00 34.13 H new ATOM 0 HB3 TYR A 64 13.872 -10.185 10.731 1.00 34.13 H new ATOM 0 HD1 TYR A 64 12.112 -7.772 8.556 1.00 71.43 H new ATOM 0 HD2 TYR A 64 11.744 -10.467 11.836 1.00 71.53 H new ATOM 0 HE1 TYR A 64 9.588 -7.625 8.404 1.00 63.41 H new ATOM 0 HE2 TYR A 64 9.222 -10.312 11.672 1.00 63.42 H new ATOM 0 HH TYR A 64 7.548 -9.460 10.625 1.00 31.35 H new ATOM 940 N ASP A 65 12.678 -6.518 12.048 1.00 52.41 N ATOM 941 CA ASP A 65 11.727 -5.993 13.014 1.00 45.23 C ATOM 942 C ASP A 65 10.357 -5.849 12.348 1.00 3.22 C ATOM 943 O ASP A 65 10.158 -4.967 11.514 1.00 62.43 O ATOM 944 CB ASP A 65 12.157 -4.613 13.515 1.00 50.40 C ATOM 945 CG ASP A 65 12.961 -4.619 14.817 1.00 55.40 C ATOM 946 OD1 ASP A 65 12.456 -4.229 15.880 1.00 2.55 O ATOM 947 OD2 ASP A 65 14.170 -5.053 14.709 1.00 45.32 O ATOM 0 H ASP A 65 12.842 -5.916 11.241 1.00 52.41 H new ATOM 0 HA ASP A 65 11.684 -6.685 13.855 1.00 45.23 H new ATOM 0 HB2 ASP A 65 12.753 -4.131 12.740 1.00 50.40 H new ATOM 0 HB3 ASP A 65 11.266 -4.001 13.659 1.00 50.40 H new ATOM 953 N ASP A 66 9.448 -6.728 12.743 1.00 62.25 N ATOM 954 CA ASP A 66 8.102 -6.710 12.195 1.00 65.14 C ATOM 955 C ASP A 66 7.422 -5.391 12.567 1.00 24.23 C ATOM 956 O ASP A 66 6.454 -4.986 11.927 1.00 53.41 O ATOM 957 CB ASP A 66 7.261 -7.854 12.764 1.00 14.42 C ATOM 958 CG ASP A 66 5.964 -8.142 12.005 1.00 13.13 C ATOM 959 OD1 ASP A 66 5.069 -7.287 11.922 1.00 61.31 O ATOM 960 OD2 ASP A 66 5.890 -9.317 11.478 1.00 22.14 O ATOM 0 H ASP A 66 9.617 -7.457 13.436 1.00 62.25 H new ATOM 0 HA ASP A 66 8.176 -6.821 11.113 1.00 65.14 H new ATOM 0 HB2 ASP A 66 7.867 -8.760 12.775 1.00 14.42 H new ATOM 0 HB3 ASP A 66 7.014 -7.623 13.800 1.00 14.42 H new ATOM 966 N ALA A 67 7.957 -4.758 13.601 1.00 33.44 N ATOM 967 CA ALA A 67 7.414 -3.494 14.067 1.00 55.31 C ATOM 968 C ALA A 67 7.492 -2.464 12.938 1.00 1.54 C ATOM 969 O ALA A 67 6.697 -1.527 12.892 1.00 54.41 O ATOM 970 CB ALA A 67 8.168 -3.044 15.320 1.00 34.41 C ATOM 0 H ALA A 67 8.761 -5.097 14.129 1.00 33.44 H new ATOM 0 HA ALA A 67 6.365 -3.605 14.341 1.00 55.31 H new ATOM 0 HB1 ALA A 67 7.760 -2.095 15.669 1.00 34.41 H new ATOM 0 HB2 ALA A 67 8.057 -3.796 16.101 1.00 34.41 H new ATOM 0 HB3 ALA A 67 9.225 -2.919 15.084 1.00 34.41 H new ATOM 976 N THR A 68 8.459 -2.672 12.056 1.00 14.25 N ATOM 977 CA THR A 68 8.652 -1.773 10.931 1.00 15.13 C ATOM 978 C THR A 68 8.973 -2.567 9.663 1.00 14.25 C ATOM 979 O THR A 68 9.394 -1.996 8.659 1.00 2.41 O ATOM 980 CB THR A 68 9.740 -0.767 11.311 1.00 65.53 C ATOM 981 OG1 THR A 68 10.907 -1.568 11.484 1.00 52.41 O ATOM 982 CG2 THR A 68 9.508 -0.145 12.689 1.00 50.43 C ATOM 0 H THR A 68 9.117 -3.450 12.098 1.00 14.25 H new ATOM 0 HA THR A 68 7.741 -1.218 10.707 1.00 15.13 H new ATOM 0 HB THR A 68 9.783 0.022 10.560 1.00 65.53 H new ATOM 0 HG1 THR A 68 11.663 -0.995 11.730 1.00 52.41 H new ATOM 0 HG21 THR A 68 10.309 0.561 12.909 1.00 50.43 H new ATOM 0 HG22 THR A 68 8.551 0.377 12.696 1.00 50.43 H new ATOM 0 HG23 THR A 68 9.498 -0.930 13.445 1.00 50.43 H new ATOM 990 N LYS A 69 8.761 -3.872 9.751 1.00 12.34 N ATOM 991 CA LYS A 69 9.022 -4.750 8.624 1.00 63.03 C ATOM 992 C LYS A 69 10.307 -4.304 7.923 1.00 25.52 C ATOM 993 O LYS A 69 10.297 -4.008 6.729 1.00 22.14 O ATOM 994 CB LYS A 69 7.806 -4.810 7.698 1.00 51.44 C ATOM 995 CG LYS A 69 6.525 -5.076 8.491 1.00 1.41 C ATOM 996 CD LYS A 69 6.436 -6.544 8.912 1.00 1.24 C ATOM 997 CE LYS A 69 5.639 -7.360 7.892 1.00 3.53 C ATOM 998 NZ LYS A 69 4.195 -7.323 8.214 1.00 41.45 N ATOM 0 H LYS A 69 8.411 -4.342 10.586 1.00 12.34 H new ATOM 0 HA LYS A 69 9.183 -5.772 8.967 1.00 63.03 H new ATOM 0 HB2 LYS A 69 7.712 -3.870 7.154 1.00 51.44 H new ATOM 0 HB3 LYS A 69 7.948 -5.596 6.956 1.00 51.44 H new ATOM 0 HG2 LYS A 69 6.501 -4.438 9.375 1.00 1.41 H new ATOM 0 HG3 LYS A 69 5.657 -4.814 7.886 1.00 1.41 H new ATOM 0 HD2 LYS A 69 7.439 -6.959 9.011 1.00 1.24 H new ATOM 0 HD3 LYS A 69 5.963 -6.617 9.891 1.00 1.24 H new ATOM 0 HE2 LYS A 69 5.805 -6.963 6.890 1.00 3.53 H new ATOM 0 HE3 LYS A 69 5.991 -8.392 7.888 1.00 3.53 H new ATOM 0 HZ1 LYS A 69 3.642 -7.507 7.352 1.00 41.45 H new ATOM 0 HZ2 LYS A 69 3.979 -8.050 8.926 1.00 41.45 H new ATOM 0 HZ3 LYS A 69 3.947 -6.386 8.590 1.00 41.45 H new ATOM 1011 N THR A 70 11.383 -4.271 8.695 1.00 25.25 N ATOM 1012 CA THR A 70 12.674 -3.867 8.164 1.00 51.30 C ATOM 1013 C THR A 70 13.748 -4.892 8.533 1.00 73.21 C ATOM 1014 O THR A 70 13.788 -5.375 9.664 1.00 42.53 O ATOM 1015 CB THR A 70 12.977 -2.458 8.678 1.00 33.14 C ATOM 1016 OG1 THR A 70 12.137 -1.614 7.896 1.00 75.55 O ATOM 1017 CG2 THR A 70 14.394 -1.999 8.330 1.00 61.33 C ATOM 0 H THR A 70 11.387 -4.518 9.685 1.00 25.25 H new ATOM 0 HA THR A 70 12.660 -3.836 7.075 1.00 51.30 H new ATOM 0 HB THR A 70 12.842 -2.430 9.759 1.00 33.14 H new ATOM 0 HG1 THR A 70 11.202 -1.749 8.158 1.00 75.55 H new ATOM 0 HG21 THR A 70 14.556 -0.993 8.718 1.00 61.33 H new ATOM 0 HG22 THR A 70 15.117 -2.681 8.776 1.00 61.33 H new ATOM 0 HG23 THR A 70 14.519 -1.995 7.247 1.00 61.33 H new ATOM 1025 N PHE A 71 14.591 -5.195 7.557 1.00 23.22 N ATOM 1026 CA PHE A 71 15.663 -6.155 7.765 1.00 15.30 C ATOM 1027 C PHE A 71 17.032 -5.490 7.608 1.00 72.31 C ATOM 1028 O PHE A 71 17.219 -4.646 6.734 1.00 42.34 O ATOM 1029 CB PHE A 71 15.508 -7.237 6.694 1.00 11.44 C ATOM 1030 CG PHE A 71 14.103 -7.836 6.614 1.00 34.43 C ATOM 1031 CD1 PHE A 71 13.059 -7.071 6.196 1.00 43.31 C ATOM 1032 CD2 PHE A 71 13.897 -9.135 6.961 1.00 33.15 C ATOM 1033 CE1 PHE A 71 11.755 -7.627 6.122 1.00 61.44 C ATOM 1034 CE2 PHE A 71 12.592 -9.692 6.887 1.00 4.32 C ATOM 1035 CZ PHE A 71 11.549 -8.926 6.469 1.00 61.01 C ATOM 0 H PHE A 71 14.554 -4.793 6.620 1.00 23.22 H new ATOM 0 HA PHE A 71 15.603 -6.568 8.772 1.00 15.30 H new ATOM 0 HB2 PHE A 71 15.767 -6.813 5.724 1.00 11.44 H new ATOM 0 HB3 PHE A 71 16.222 -8.036 6.894 1.00 11.44 H new ATOM 0 HD1 PHE A 71 13.222 -6.040 5.920 1.00 43.31 H new ATOM 0 HD2 PHE A 71 14.726 -9.743 7.293 1.00 33.15 H new ATOM 0 HE1 PHE A 71 10.927 -7.019 5.790 1.00 61.44 H new ATOM 0 HE2 PHE A 71 12.428 -10.723 7.163 1.00 4.32 H new ATOM 0 HZ PHE A 71 10.557 -9.349 6.413 1.00 61.01 H new ATOM 1045 N THR A 72 17.954 -5.897 8.468 1.00 34.13 N ATOM 1046 CA THR A 72 19.300 -5.352 8.436 1.00 40.20 C ATOM 1047 C THR A 72 20.333 -6.480 8.472 1.00 1.32 C ATOM 1048 O THR A 72 20.240 -7.386 9.299 1.00 53.40 O ATOM 1049 CB THR A 72 19.438 -4.364 9.596 1.00 0.11 C ATOM 1050 OG1 THR A 72 18.174 -3.707 9.645 1.00 23.30 O ATOM 1051 CG2 THR A 72 20.431 -3.240 9.293 1.00 54.31 C ATOM 0 H THR A 72 17.795 -6.598 9.192 1.00 34.13 H new ATOM 0 HA THR A 72 19.486 -4.813 7.507 1.00 40.20 H new ATOM 0 HB THR A 72 19.757 -4.898 10.491 1.00 0.11 H new ATOM 0 HG1 THR A 72 18.175 -3.049 10.371 1.00 23.30 H new ATOM 0 HG21 THR A 72 20.491 -2.567 10.148 1.00 54.31 H new ATOM 0 HG22 THR A 72 21.415 -3.667 9.097 1.00 54.31 H new ATOM 0 HG23 THR A 72 20.095 -2.684 8.417 1.00 54.31 H new ATOM 1059 N VAL A 73 21.295 -6.388 7.565 1.00 14.54 N ATOM 1060 CA VAL A 73 22.344 -7.389 7.483 1.00 3.11 C ATOM 1061 C VAL A 73 23.667 -6.774 7.943 1.00 3.34 C ATOM 1062 O VAL A 73 24.156 -5.819 7.340 1.00 35.50 O ATOM 1063 CB VAL A 73 22.412 -7.961 6.066 1.00 40.25 C ATOM 1064 CG1 VAL A 73 23.688 -7.509 5.353 1.00 40.15 C ATOM 1065 CG2 VAL A 73 22.305 -9.487 6.084 1.00 4.14 C ATOM 0 H VAL A 73 21.369 -5.635 6.881 1.00 14.54 H new ATOM 0 HA VAL A 73 22.126 -8.226 8.147 1.00 3.11 H new ATOM 0 HB VAL A 73 21.560 -7.573 5.507 1.00 40.25 H new ATOM 0 HG11 VAL A 73 23.712 -7.930 4.348 1.00 40.15 H new ATOM 0 HG12 VAL A 73 23.704 -6.421 5.292 1.00 40.15 H new ATOM 0 HG13 VAL A 73 24.558 -7.854 5.911 1.00 40.15 H new ATOM 0 HG21 VAL A 73 22.356 -9.867 5.064 1.00 4.14 H new ATOM 0 HG22 VAL A 73 23.126 -9.902 6.668 1.00 4.14 H new ATOM 0 HG23 VAL A 73 21.356 -9.780 6.533 1.00 4.14 H new ATOM 1075 N THR A 74 24.210 -7.345 9.008 1.00 21.33 N ATOM 1076 CA THR A 74 25.467 -6.865 9.557 1.00 61.15 C ATOM 1077 C THR A 74 26.587 -7.870 9.282 1.00 64.14 C ATOM 1078 O THR A 74 26.516 -9.019 9.715 1.00 11.12 O ATOM 1079 CB THR A 74 25.256 -6.582 11.045 1.00 23.43 C ATOM 1080 OG1 THR A 74 23.949 -6.019 11.110 1.00 42.40 O ATOM 1081 CG2 THR A 74 26.168 -5.469 11.565 1.00 63.02 C ATOM 0 H THR A 74 23.802 -8.136 9.506 1.00 21.33 H new ATOM 0 HA THR A 74 25.780 -5.938 9.077 1.00 61.15 H new ATOM 0 HB THR A 74 25.434 -7.493 11.616 1.00 23.43 H new ATOM 0 HG1 THR A 74 23.730 -5.807 12.041 1.00 42.40 H new ATOM 0 HG21 THR A 74 25.977 -5.308 12.626 1.00 63.02 H new ATOM 0 HG22 THR A 74 27.210 -5.756 11.423 1.00 63.02 H new ATOM 0 HG23 THR A 74 25.967 -4.548 11.017 1.00 63.02 H new ATOM 1089 N GLU A 75 27.596 -7.401 8.562 1.00 4.14 N ATOM 1090 CA GLU A 75 28.730 -8.244 8.224 1.00 24.24 C ATOM 1091 C GLU A 75 29.791 -8.173 9.325 1.00 63.24 C ATOM 1092 O GLU A 75 30.697 -9.004 9.373 1.00 20.00 O ATOM 1093 CB GLU A 75 29.320 -7.852 6.868 1.00 30.41 C ATOM 1094 CG GLU A 75 30.022 -9.042 6.211 1.00 22.41 C ATOM 1095 CD GLU A 75 30.348 -8.746 4.746 1.00 43.01 C ATOM 1096 OE1 GLU A 75 30.083 -9.583 3.870 1.00 10.21 O ATOM 1097 OE2 GLU A 75 30.896 -7.598 4.531 1.00 62.03 O ATOM 0 H GLU A 75 27.651 -6.448 8.203 1.00 4.14 H new ATOM 0 HA GLU A 75 28.382 -9.274 8.147 1.00 24.24 H new ATOM 0 HB2 GLU A 75 28.528 -7.487 6.215 1.00 30.41 H new ATOM 0 HB3 GLU A 75 30.028 -7.034 6.998 1.00 30.41 H new ATOM 0 HG2 GLU A 75 30.940 -9.271 6.752 1.00 22.41 H new ATOM 0 HG3 GLU A 75 29.385 -9.925 6.274 1.00 22.41 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.636 -3.919 -13.148 1.00 60.41 LA