USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc=-0.00273 K(o=0.62,f=-0.36) USER MOD Set 1.2: A 80 SER OG : rot 91:sc= 0.621 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.362 K(o=-0.04,f=-1.6) USER MOD Set 2.2: A 28 SER OG : rot 82:sc= 0.322 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 17 SER OG : rot -130:sc= 1.58 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.057 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 17:sc= 0.378 USER MOD Single : A 29 SER OG : rot 178:sc= -0.379 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.95 F(o=-3.6,f=-2.9) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -14:sc= -0.393 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.721 X(o=-0.72,f=-0.82) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -47:sc= 0.93 USER MOD Single : A 68 SER OG : rot 180:sc= -0.345 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0769 USER MOD Single : A 77 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.72) USER MOD Single : A 81 SER OG : rot 66:sc= 1.09 USER MOD Single : A 85 SER OG : rot 180:sc= -0.947 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 5.404 3.617 0.074 1.00 22.42 N ATOM 24 CA LYS A 3 5.408 5.057 0.298 1.00 54.45 C ATOM 25 C LYS A 3 6.707 5.502 0.962 1.00 72.02 C ATOM 26 O LYS A 3 6.711 6.403 1.801 1.00 11.31 O ATOM 27 CB LYS A 3 4.214 5.463 1.165 1.00 20.54 C ATOM 28 CG LYS A 3 4.165 4.748 2.505 1.00 63.54 C ATOM 29 CD LYS A 3 2.759 4.739 3.081 1.00 25.32 C ATOM 30 CE LYS A 3 2.725 5.345 4.476 1.00 41.34 C ATOM 31 NZ LYS A 3 1.431 6.029 4.752 1.00 60.55 N ATOM 0 HA LYS A 3 5.329 5.550 -0.671 1.00 54.45 H new ATOM 0 HB2 LYS A 3 4.250 6.539 1.338 1.00 20.54 H new ATOM 0 HB3 LYS A 3 3.293 5.258 0.619 1.00 20.54 H new ATOM 0 HG2 LYS A 3 4.516 3.723 2.385 1.00 63.54 H new ATOM 0 HG3 LYS A 3 4.843 5.237 3.205 1.00 63.54 H new ATOM 0 HD2 LYS A 3 2.092 5.297 2.424 1.00 25.32 H new ATOM 0 HD3 LYS A 3 2.386 3.715 3.118 1.00 25.32 H new ATOM 0 HE2 LYS A 3 2.887 4.562 5.216 1.00 41.34 H new ATOM 0 HE3 LYS A 3 3.543 6.058 4.582 1.00 41.34 H new ATOM 0 HZ1 LYS A 3 1.447 6.429 5.712 1.00 60.55 H new ATOM 0 HZ2 LYS A 3 1.288 6.793 4.061 1.00 60.55 H new ATOM 0 HZ3 LYS A 3 0.653 5.343 4.676 1.00 60.55 H new ATOM 45 N THR A 4 7.810 4.865 0.580 1.00 34.02 N ATOM 46 CA THR A 4 9.115 5.195 1.138 1.00 12.04 C ATOM 47 C THR A 4 10.231 4.885 0.147 1.00 11.24 C ATOM 48 O THR A 4 10.148 3.923 -0.616 1.00 55.11 O ATOM 49 CB THR A 4 9.377 4.425 2.447 1.00 41.53 C ATOM 50 OG1 THR A 4 9.080 3.036 2.266 1.00 41.40 O ATOM 51 CG2 THR A 4 8.534 4.986 3.582 1.00 23.24 C ATOM 0 H THR A 4 7.825 4.117 -0.114 1.00 34.02 H new ATOM 0 HA THR A 4 9.107 6.264 1.349 1.00 12.04 H new ATOM 0 HB THR A 4 10.429 4.540 2.706 1.00 41.53 H new ATOM 0 HG1 THR A 4 9.096 2.582 3.134 1.00 41.40 H new ATOM 0 HG21 THR A 4 8.736 4.427 4.496 1.00 23.24 H new ATOM 0 HG22 THR A 4 8.784 6.036 3.736 1.00 23.24 H new ATOM 0 HG23 THR A 4 7.478 4.898 3.328 1.00 23.24 H new ATOM 59 N VAL A 5 11.276 5.706 0.165 1.00 42.23 N ATOM 60 CA VAL A 5 12.411 5.518 -0.732 1.00 13.44 C ATOM 61 C VAL A 5 13.503 4.686 -0.069 1.00 12.41 C ATOM 62 O VAL A 5 14.036 5.060 0.976 1.00 32.12 O ATOM 63 CB VAL A 5 13.006 6.868 -1.174 1.00 1.43 C ATOM 64 CG1 VAL A 5 13.266 7.758 0.032 1.00 10.13 C ATOM 65 CG2 VAL A 5 14.283 6.651 -1.972 1.00 0.35 C ATOM 0 H VAL A 5 11.361 6.507 0.790 1.00 42.23 H new ATOM 0 HA VAL A 5 12.038 4.989 -1.609 1.00 13.44 H new ATOM 0 HB VAL A 5 12.284 7.371 -1.817 1.00 1.43 H new ATOM 0 HG11 VAL A 5 13.686 8.707 -0.300 1.00 10.13 H new ATOM 0 HG12 VAL A 5 12.329 7.940 0.558 1.00 10.13 H new ATOM 0 HG13 VAL A 5 13.969 7.265 0.703 1.00 10.13 H new ATOM 0 HG21 VAL A 5 14.690 7.615 -2.276 1.00 0.35 H new ATOM 0 HG22 VAL A 5 15.013 6.127 -1.355 1.00 0.35 H new ATOM 0 HG23 VAL A 5 14.062 6.055 -2.857 1.00 0.35 H new ATOM 75 N LYS A 6 13.833 3.556 -0.684 1.00 34.42 N ATOM 76 CA LYS A 6 14.863 2.669 -0.156 1.00 0.41 C ATOM 77 C LYS A 6 16.237 3.049 -0.698 1.00 3.32 C ATOM 78 O LYS A 6 16.553 2.785 -1.859 1.00 12.41 O ATOM 79 CB LYS A 6 14.546 1.215 -0.513 1.00 43.42 C ATOM 80 CG LYS A 6 13.301 0.678 0.171 1.00 51.52 C ATOM 81 CD LYS A 6 12.106 0.678 -0.767 1.00 53.25 C ATOM 82 CE LYS A 6 10.845 0.198 -0.064 1.00 43.14 C ATOM 83 NZ LYS A 6 10.326 -1.065 -0.658 1.00 54.35 N ATOM 0 H LYS A 6 13.402 3.232 -1.550 1.00 34.42 H new ATOM 0 HA LYS A 6 14.877 2.775 0.929 1.00 0.41 H new ATOM 0 HB2 LYS A 6 14.421 1.134 -1.593 1.00 43.42 H new ATOM 0 HB3 LYS A 6 15.397 0.590 -0.243 1.00 43.42 H new ATOM 0 HG2 LYS A 6 13.488 -0.336 0.524 1.00 51.52 H new ATOM 0 HG3 LYS A 6 13.076 1.285 1.048 1.00 51.52 H new ATOM 0 HD2 LYS A 6 11.947 1.684 -1.155 1.00 53.25 H new ATOM 0 HD3 LYS A 6 12.314 0.035 -1.623 1.00 53.25 H new ATOM 0 HE2 LYS A 6 11.056 0.042 0.994 1.00 43.14 H new ATOM 0 HE3 LYS A 6 10.078 0.970 -0.126 1.00 43.14 H new ATOM 0 HZ1 LYS A 6 9.467 -1.359 -0.152 1.00 54.35 H new ATOM 0 HZ2 LYS A 6 10.101 -0.910 -1.661 1.00 54.35 H new ATOM 0 HZ3 LYS A 6 11.048 -1.809 -0.576 1.00 54.35 H new ATOM 97 N LEU A 7 17.052 3.669 0.150 1.00 73.45 N ATOM 98 CA LEU A 7 18.394 4.083 -0.244 1.00 52.51 C ATOM 99 C LEU A 7 19.382 2.929 -0.109 1.00 40.50 C ATOM 100 O LEU A 7 19.493 2.315 0.952 1.00 21.11 O ATOM 101 CB LEU A 7 18.854 5.267 0.609 1.00 20.42 C ATOM 102 CG LEU A 7 18.047 6.557 0.459 1.00 64.15 C ATOM 103 CD1 LEU A 7 17.042 6.693 1.591 1.00 1.34 C ATOM 104 CD2 LEU A 7 18.974 7.763 0.417 1.00 51.31 C ATOM 0 H LEU A 7 16.807 3.896 1.114 1.00 73.45 H new ATOM 0 HA LEU A 7 18.362 4.387 -1.290 1.00 52.51 H new ATOM 0 HB2 LEU A 7 18.828 4.966 1.656 1.00 20.42 H new ATOM 0 HB3 LEU A 7 19.894 5.482 0.365 1.00 20.42 H new ATOM 0 HG LEU A 7 17.498 6.513 -0.482 1.00 64.15 H new ATOM 0 HD11 LEU A 7 16.477 7.617 1.467 1.00 1.34 H new ATOM 0 HD12 LEU A 7 16.358 5.845 1.574 1.00 1.34 H new ATOM 0 HD13 LEU A 7 17.569 6.715 2.545 1.00 1.34 H new ATOM 0 HD21 LEU A 7 18.383 8.673 0.310 1.00 51.31 H new ATOM 0 HD22 LEU A 7 19.550 7.811 1.341 1.00 51.31 H new ATOM 0 HD23 LEU A 7 19.654 7.670 -0.430 1.00 51.31 H new ATOM 116 N TYR A 8 20.099 2.642 -1.190 1.00 10.04 N ATOM 117 CA TYR A 8 21.078 1.562 -1.192 1.00 63.20 C ATOM 118 C TYR A 8 22.499 2.114 -1.259 1.00 52.31 C ATOM 119 O TYR A 8 22.873 2.778 -2.225 1.00 54.23 O ATOM 120 CB TYR A 8 20.829 0.621 -2.372 1.00 54.54 C ATOM 121 CG TYR A 8 19.493 -0.085 -2.312 1.00 50.41 C ATOM 122 CD1 TYR A 8 18.312 0.596 -2.580 1.00 10.44 C ATOM 123 CD2 TYR A 8 19.412 -1.434 -1.988 1.00 44.54 C ATOM 124 CE1 TYR A 8 17.090 -0.045 -2.525 1.00 14.41 C ATOM 125 CE2 TYR A 8 18.194 -2.083 -1.933 1.00 24.23 C ATOM 126 CZ TYR A 8 17.036 -1.384 -2.201 1.00 71.42 C ATOM 127 OH TYR A 8 15.820 -2.027 -2.147 1.00 43.00 O ATOM 0 H TYR A 8 20.020 3.142 -2.076 1.00 10.04 H new ATOM 0 HA TYR A 8 20.967 1.005 -0.262 1.00 63.20 H new ATOM 0 HB2 TYR A 8 20.888 1.191 -3.299 1.00 54.54 H new ATOM 0 HB3 TYR A 8 21.623 -0.125 -2.405 1.00 54.54 H new ATOM 0 HD1 TYR A 8 18.350 1.645 -2.836 1.00 10.44 H new ATOM 0 HD2 TYR A 8 20.317 -1.984 -1.776 1.00 44.54 H new ATOM 0 HE1 TYR A 8 16.181 0.500 -2.735 1.00 14.41 H new ATOM 0 HE2 TYR A 8 18.149 -3.132 -1.681 1.00 24.23 H new ATOM 0 HH TYR A 8 15.957 -2.967 -1.906 1.00 43.00 H new ATOM 137 N GLU A 9 23.285 1.834 -0.225 1.00 24.23 N ATOM 138 CA GLU A 9 24.665 2.303 -0.166 1.00 32.43 C ATOM 139 C GLU A 9 25.458 1.814 -1.375 1.00 14.42 C ATOM 140 O GLU A 9 26.379 2.486 -1.839 1.00 12.40 O ATOM 141 CB GLU A 9 25.335 1.824 1.124 1.00 13.31 C ATOM 142 CG GLU A 9 25.691 0.347 1.113 1.00 4.42 C ATOM 143 CD GLU A 9 25.608 -0.283 2.490 1.00 64.01 C ATOM 144 OE1 GLU A 9 26.191 0.285 3.438 1.00 74.12 O ATOM 145 OE2 GLU A 9 24.962 -1.343 2.619 1.00 21.54 O ATOM 0 H GLU A 9 22.991 1.285 0.583 1.00 24.23 H new ATOM 0 HA GLU A 9 24.652 3.393 -0.178 1.00 32.43 H new ATOM 0 HB2 GLU A 9 26.241 2.406 1.291 1.00 13.31 H new ATOM 0 HB3 GLU A 9 24.670 2.022 1.964 1.00 13.31 H new ATOM 0 HG2 GLU A 9 25.019 -0.180 0.435 1.00 4.42 H new ATOM 0 HG3 GLU A 9 26.701 0.223 0.721 1.00 4.42 H new ATOM 152 N ASP A 10 25.093 0.641 -1.879 1.00 31.30 N ATOM 153 CA ASP A 10 25.769 0.062 -3.034 1.00 72.41 C ATOM 154 C ASP A 10 25.140 0.552 -4.334 1.00 53.33 C ATOM 155 O ASP A 10 24.323 1.474 -4.333 1.00 32.11 O ATOM 156 CB ASP A 10 25.714 -1.466 -2.971 1.00 41.41 C ATOM 157 CG ASP A 10 26.990 -2.112 -3.474 1.00 52.14 C ATOM 158 OD1 ASP A 10 27.628 -1.537 -4.380 1.00 62.04 O ATOM 159 OD2 ASP A 10 27.349 -3.193 -2.963 1.00 24.13 O ATOM 0 H ASP A 10 24.333 0.072 -1.506 1.00 31.30 H new ATOM 0 HA ASP A 10 26.811 0.382 -3.012 1.00 72.41 H new ATOM 0 HB2 ASP A 10 25.533 -1.778 -1.942 1.00 41.41 H new ATOM 0 HB3 ASP A 10 24.872 -1.821 -3.565 1.00 41.41 H new ATOM 164 N THR A 11 25.526 -0.069 -5.444 1.00 42.14 N ATOM 165 CA THR A 11 25.002 0.306 -6.752 1.00 23.42 C ATOM 166 C THR A 11 23.785 -0.536 -7.118 1.00 10.21 C ATOM 167 O THR A 11 23.670 -1.691 -6.707 1.00 14.13 O ATOM 168 CB THR A 11 26.070 0.149 -7.851 1.00 20.41 C ATOM 169 OG1 THR A 11 26.261 -1.238 -8.154 1.00 4.25 O ATOM 170 CG2 THR A 11 27.391 0.765 -7.414 1.00 73.43 C ATOM 0 H THR A 11 26.200 -0.834 -5.464 1.00 42.14 H new ATOM 0 HA THR A 11 24.710 1.354 -6.687 1.00 23.42 H new ATOM 0 HB THR A 11 25.722 0.670 -8.743 1.00 20.41 H new ATOM 0 HG1 THR A 11 26.940 -1.329 -8.855 1.00 4.25 H new ATOM 0 HG21 THR A 11 28.130 0.642 -8.206 1.00 73.43 H new ATOM 0 HG22 THR A 11 27.248 1.827 -7.213 1.00 73.43 H new ATOM 0 HG23 THR A 11 27.743 0.268 -6.510 1.00 73.43 H new ATOM 178 N HIS A 12 22.878 0.050 -7.894 1.00 23.30 N ATOM 179 CA HIS A 12 21.669 -0.648 -8.317 1.00 1.32 C ATOM 180 C HIS A 12 20.747 -0.905 -7.129 1.00 54.31 C ATOM 181 O HIS A 12 19.767 -0.188 -6.924 1.00 52.24 O ATOM 182 CB HIS A 12 22.028 -1.971 -8.994 1.00 43.41 C ATOM 183 CG HIS A 12 21.777 -1.975 -10.471 1.00 24.14 C ATOM 184 ND1 HIS A 12 21.020 -2.938 -11.102 1.00 73.44 N ATOM 185 CD2 HIS A 12 22.188 -1.125 -11.441 1.00 35.01 C ATOM 186 CE1 HIS A 12 20.976 -2.682 -12.398 1.00 11.25 C ATOM 187 NE2 HIS A 12 21.676 -1.586 -12.629 1.00 64.21 N ATOM 0 H HIS A 12 22.957 1.005 -8.242 1.00 23.30 H new ATOM 0 HA HIS A 12 21.145 -0.014 -9.032 1.00 1.32 H new ATOM 0 HB2 HIS A 12 23.080 -2.189 -8.812 1.00 43.41 H new ATOM 0 HB3 HIS A 12 21.452 -2.774 -8.534 1.00 43.41 H new ATOM 0 HD2 HIS A 12 22.804 -0.248 -11.306 1.00 35.01 H new ATOM 0 HE1 HIS A 12 20.456 -3.269 -13.141 1.00 11.25 H new ATOM 0 HE2 HIS A 12 21.814 -1.152 -13.542 1.00 64.21 H new ATOM 195 N PHE A 13 21.066 -1.932 -6.349 1.00 61.45 N ATOM 196 CA PHE A 13 20.265 -2.285 -5.183 1.00 61.11 C ATOM 197 C PHE A 13 21.001 -3.290 -4.301 1.00 42.34 C ATOM 198 O PHE A 13 20.381 -4.085 -3.595 1.00 62.33 O ATOM 199 CB PHE A 13 18.918 -2.864 -5.619 1.00 55.24 C ATOM 200 CG PHE A 13 19.041 -4.101 -6.462 1.00 60.00 C ATOM 201 CD1 PHE A 13 19.215 -4.007 -7.833 1.00 52.45 C ATOM 202 CD2 PHE A 13 18.984 -5.358 -5.883 1.00 30.33 C ATOM 203 CE1 PHE A 13 19.328 -5.144 -8.611 1.00 52.41 C ATOM 204 CE2 PHE A 13 19.097 -6.499 -6.655 1.00 51.13 C ATOM 205 CZ PHE A 13 19.270 -6.391 -8.021 1.00 61.22 C ATOM 0 H PHE A 13 21.874 -2.535 -6.503 1.00 61.45 H new ATOM 0 HA PHE A 13 20.093 -1.378 -4.604 1.00 61.11 H new ATOM 0 HB2 PHE A 13 18.327 -3.095 -4.733 1.00 55.24 H new ATOM 0 HB3 PHE A 13 18.370 -2.106 -6.178 1.00 55.24 H new ATOM 0 HD1 PHE A 13 19.263 -3.034 -8.299 1.00 52.45 H new ATOM 0 HD2 PHE A 13 18.850 -5.448 -4.815 1.00 30.33 H new ATOM 0 HE1 PHE A 13 19.462 -5.057 -9.679 1.00 52.41 H new ATOM 0 HE2 PHE A 13 19.050 -7.473 -6.191 1.00 51.13 H new ATOM 0 HZ PHE A 13 19.360 -7.281 -8.627 1.00 61.22 H new ATOM 215 N LYS A 14 22.328 -3.248 -4.348 1.00 4.40 N ATOM 216 CA LYS A 14 23.151 -4.152 -3.554 1.00 65.22 C ATOM 217 C LYS A 14 23.294 -3.644 -2.123 1.00 43.43 C ATOM 218 O LYS A 14 23.219 -2.442 -1.871 1.00 10.11 O ATOM 219 CB LYS A 14 24.534 -4.309 -4.192 1.00 10.34 C ATOM 220 CG LYS A 14 24.646 -5.509 -5.115 1.00 33.51 C ATOM 221 CD LYS A 14 24.092 -5.204 -6.497 1.00 2.24 C ATOM 222 CE LYS A 14 24.978 -5.779 -7.592 1.00 11.55 C ATOM 223 NZ LYS A 14 26.208 -4.964 -7.795 1.00 55.40 N ATOM 0 H LYS A 14 22.857 -2.597 -4.928 1.00 4.40 H new ATOM 0 HA LYS A 14 22.657 -5.123 -3.528 1.00 65.22 H new ATOM 0 HB2 LYS A 14 24.770 -3.406 -4.754 1.00 10.34 H new ATOM 0 HB3 LYS A 14 25.281 -4.397 -3.403 1.00 10.34 H new ATOM 0 HG2 LYS A 14 25.691 -5.808 -5.199 1.00 33.51 H new ATOM 0 HG3 LYS A 14 24.107 -6.352 -4.684 1.00 33.51 H new ATOM 0 HD2 LYS A 14 23.087 -5.617 -6.586 1.00 2.24 H new ATOM 0 HD3 LYS A 14 24.006 -4.125 -6.626 1.00 2.24 H new ATOM 0 HE2 LYS A 14 25.258 -6.800 -7.334 1.00 11.55 H new ATOM 0 HE3 LYS A 14 24.417 -5.828 -8.525 1.00 11.55 H new ATOM 0 HZ1 LYS A 14 26.785 -5.388 -8.549 1.00 55.40 H new ATOM 0 HZ2 LYS A 14 25.942 -3.996 -8.066 1.00 55.40 H new ATOM 0 HZ3 LYS A 14 26.757 -4.938 -6.912 1.00 55.40 H new ATOM 237 N GLY A 15 23.503 -4.567 -1.190 1.00 35.15 N ATOM 238 CA GLY A 15 23.654 -4.192 0.204 1.00 1.11 C ATOM 239 C GLY A 15 22.322 -3.994 0.899 1.00 32.05 C ATOM 240 O GLY A 15 21.313 -4.576 0.501 1.00 71.35 O ATOM 0 H GLY A 15 23.571 -5.568 -1.374 1.00 35.15 H new ATOM 0 HA2 GLY A 15 24.221 -4.963 0.725 1.00 1.11 H new ATOM 0 HA3 GLY A 15 24.234 -3.272 0.269 1.00 1.11 H new ATOM 244 N TYR A 16 22.317 -3.172 1.943 1.00 43.02 N ATOM 245 CA TYR A 16 21.100 -2.902 2.698 1.00 34.10 C ATOM 246 C TYR A 16 20.334 -1.728 2.096 1.00 51.03 C ATOM 247 O TYR A 16 20.862 -0.989 1.265 1.00 12.42 O ATOM 248 CB TYR A 16 21.436 -2.609 4.161 1.00 22.11 C ATOM 249 CG TYR A 16 20.384 -3.094 5.133 1.00 5.22 C ATOM 250 CD1 TYR A 16 20.237 -4.447 5.410 1.00 74.33 C ATOM 251 CD2 TYR A 16 19.539 -2.198 5.776 1.00 41.30 C ATOM 252 CE1 TYR A 16 19.276 -4.894 6.297 1.00 65.44 C ATOM 253 CE2 TYR A 16 18.577 -2.636 6.665 1.00 0.35 C ATOM 254 CZ TYR A 16 18.449 -3.985 6.922 1.00 3.10 C ATOM 255 OH TYR A 16 17.493 -4.426 7.807 1.00 34.22 O ATOM 0 H TYR A 16 23.143 -2.681 2.285 1.00 43.02 H new ATOM 0 HA TYR A 16 20.468 -3.789 2.648 1.00 34.10 H new ATOM 0 HB2 TYR A 16 22.389 -3.077 4.407 1.00 22.11 H new ATOM 0 HB3 TYR A 16 21.567 -1.534 4.287 1.00 22.11 H new ATOM 0 HD1 TYR A 16 20.885 -5.162 4.924 1.00 74.33 H new ATOM 0 HD2 TYR A 16 19.636 -1.141 5.577 1.00 41.30 H new ATOM 0 HE1 TYR A 16 19.173 -5.950 6.499 1.00 65.44 H new ATOM 0 HE2 TYR A 16 17.928 -1.926 7.156 1.00 0.35 H new ATOM 0 HH TYR A 16 16.996 -3.659 8.160 1.00 34.22 H new ATOM 265 N SER A 17 19.086 -1.563 2.522 1.00 74.24 N ATOM 266 CA SER A 17 18.244 -0.481 2.023 1.00 24.41 C ATOM 267 C SER A 17 17.654 0.323 3.177 1.00 54.11 C ATOM 268 O SER A 17 17.289 -0.232 4.214 1.00 43.14 O ATOM 269 CB SER A 17 17.121 -1.042 1.149 1.00 33.03 C ATOM 270 OG SER A 17 17.353 -2.403 0.831 1.00 61.22 O ATOM 0 H SER A 17 18.635 -2.164 3.211 1.00 74.24 H new ATOM 0 HA SER A 17 18.865 0.183 1.421 1.00 24.41 H new ATOM 0 HB2 SER A 17 16.168 -0.944 1.669 1.00 33.03 H new ATOM 0 HB3 SER A 17 17.045 -0.459 0.231 1.00 33.03 H new ATOM 0 HG SER A 17 17.252 -2.535 -0.135 1.00 61.22 H new ATOM 276 N VAL A 18 17.562 1.636 2.989 1.00 73.13 N ATOM 277 CA VAL A 18 17.014 2.518 4.012 1.00 5.41 C ATOM 278 C VAL A 18 15.730 3.185 3.533 1.00 11.31 C ATOM 279 O VAL A 18 15.754 4.030 2.639 1.00 63.14 O ATOM 280 CB VAL A 18 18.027 3.608 4.414 1.00 74.25 C ATOM 281 CG1 VAL A 18 17.449 4.499 5.503 1.00 72.52 C ATOM 282 CG2 VAL A 18 19.335 2.978 4.867 1.00 60.13 C ATOM 0 H VAL A 18 17.860 2.112 2.137 1.00 73.13 H new ATOM 0 HA VAL A 18 16.795 1.897 4.881 1.00 5.41 H new ATOM 0 HB VAL A 18 18.232 4.229 3.542 1.00 74.25 H new ATOM 0 HG11 VAL A 18 18.178 5.262 5.774 1.00 72.52 H new ATOM 0 HG12 VAL A 18 16.541 4.978 5.137 1.00 72.52 H new ATOM 0 HG13 VAL A 18 17.213 3.896 6.380 1.00 72.52 H new ATOM 0 HG21 VAL A 18 20.039 3.762 5.147 1.00 60.13 H new ATOM 0 HG22 VAL A 18 19.150 2.333 5.726 1.00 60.13 H new ATOM 0 HG23 VAL A 18 19.755 2.387 4.053 1.00 60.13 H new ATOM 292 N GLU A 19 14.609 2.800 4.135 1.00 23.24 N ATOM 293 CA GLU A 19 13.314 3.361 3.769 1.00 21.12 C ATOM 294 C GLU A 19 12.854 4.387 4.801 1.00 23.21 C ATOM 295 O GLU A 19 12.947 4.155 6.007 1.00 0.54 O ATOM 296 CB GLU A 19 12.270 2.250 3.639 1.00 65.34 C ATOM 297 CG GLU A 19 11.918 1.587 4.960 1.00 51.41 C ATOM 298 CD GLU A 19 11.845 0.077 4.854 1.00 20.50 C ATOM 299 OE1 GLU A 19 10.777 -0.439 4.463 1.00 70.31 O ATOM 300 OE2 GLU A 19 12.855 -0.590 5.162 1.00 0.23 O ATOM 0 H GLU A 19 14.572 2.102 4.878 1.00 23.24 H new ATOM 0 HA GLU A 19 13.423 3.862 2.807 1.00 21.12 H new ATOM 0 HB2 GLU A 19 11.364 2.665 3.198 1.00 65.34 H new ATOM 0 HB3 GLU A 19 12.642 1.492 2.950 1.00 65.34 H new ATOM 0 HG2 GLU A 19 12.662 1.859 5.708 1.00 51.41 H new ATOM 0 HG3 GLU A 19 10.959 1.970 5.310 1.00 51.41 H new ATOM 307 N LEU A 20 12.359 5.521 4.319 1.00 50.14 N ATOM 308 CA LEU A 20 11.885 6.584 5.198 1.00 14.00 C ATOM 309 C LEU A 20 10.713 7.330 4.567 1.00 4.44 C ATOM 310 O LEU A 20 10.649 7.521 3.353 1.00 54.22 O ATOM 311 CB LEU A 20 13.020 7.561 5.508 1.00 52.55 C ATOM 312 CG LEU A 20 14.114 7.677 4.446 1.00 50.33 C ATOM 313 CD1 LEU A 20 14.593 9.116 4.328 1.00 25.21 C ATOM 314 CD2 LEU A 20 15.276 6.751 4.774 1.00 72.03 C ATOM 0 H LEU A 20 12.275 5.728 3.324 1.00 50.14 H new ATOM 0 HA LEU A 20 11.543 6.128 6.127 1.00 14.00 H new ATOM 0 HB2 LEU A 20 12.589 8.549 5.666 1.00 52.55 H new ATOM 0 HB3 LEU A 20 13.484 7.262 6.448 1.00 52.55 H new ATOM 0 HG LEU A 20 13.695 7.375 3.486 1.00 50.33 H new ATOM 0 HD11 LEU A 20 15.371 9.179 3.568 1.00 25.21 H new ATOM 0 HD12 LEU A 20 13.757 9.756 4.046 1.00 25.21 H new ATOM 0 HD13 LEU A 20 14.994 9.446 5.286 1.00 25.21 H new ATOM 0 HD21 LEU A 20 16.045 6.847 4.008 1.00 72.03 H new ATOM 0 HD22 LEU A 20 15.694 7.021 5.744 1.00 72.03 H new ATOM 0 HD23 LEU A 20 14.922 5.721 4.806 1.00 72.03 H new ATOM 326 N PRO A 21 9.765 7.765 5.411 1.00 44.32 N ATOM 327 CA PRO A 21 8.580 8.500 4.959 1.00 45.52 C ATOM 328 C PRO A 21 8.921 9.902 4.464 1.00 25.01 C ATOM 329 O PRO A 21 10.053 10.365 4.611 1.00 14.15 O ATOM 330 CB PRO A 21 7.708 8.574 6.215 1.00 43.15 C ATOM 331 CG PRO A 21 8.668 8.468 7.349 1.00 0.40 C ATOM 332 CD PRO A 21 9.778 7.573 6.871 1.00 53.43 C ATOM 0 HA PRO A 21 8.095 8.011 4.115 1.00 45.52 H new ATOM 0 HB2 PRO A 21 7.150 9.509 6.255 1.00 43.15 H new ATOM 0 HB3 PRO A 21 6.977 7.766 6.238 1.00 43.15 H new ATOM 0 HG2 PRO A 21 9.051 9.449 7.629 1.00 0.40 H new ATOM 0 HG3 PRO A 21 8.184 8.051 8.232 1.00 0.40 H new ATOM 0 HD2 PRO A 21 10.737 7.855 7.305 1.00 53.43 H new ATOM 0 HD3 PRO A 21 9.600 6.532 7.141 1.00 53.43 H new ATOM 340 N VAL A 22 7.936 10.574 3.877 1.00 31.50 N ATOM 341 CA VAL A 22 8.131 11.923 3.362 1.00 45.40 C ATOM 342 C VAL A 22 8.821 12.810 4.393 1.00 51.44 C ATOM 343 O VAL A 22 8.591 12.679 5.594 1.00 74.41 O ATOM 344 CB VAL A 22 6.793 12.570 2.958 1.00 32.53 C ATOM 345 CG1 VAL A 22 5.818 12.553 4.126 1.00 3.51 C ATOM 346 CG2 VAL A 22 7.016 13.989 2.459 1.00 50.00 C ATOM 0 H VAL A 22 6.994 10.205 3.746 1.00 31.50 H new ATOM 0 HA VAL A 22 8.764 11.836 2.479 1.00 45.40 H new ATOM 0 HB VAL A 22 6.359 11.988 2.145 1.00 32.53 H new ATOM 0 HG11 VAL A 22 4.878 13.014 3.822 1.00 3.51 H new ATOM 0 HG12 VAL A 22 5.635 11.523 4.432 1.00 3.51 H new ATOM 0 HG13 VAL A 22 6.242 13.110 4.962 1.00 3.51 H new ATOM 0 HG21 VAL A 22 6.060 14.430 2.178 1.00 50.00 H new ATOM 0 HG22 VAL A 22 7.473 14.585 3.249 1.00 50.00 H new ATOM 0 HG23 VAL A 22 7.676 13.970 1.592 1.00 50.00 H new ATOM 356 N GLY A 23 9.669 13.716 3.914 1.00 71.22 N ATOM 357 CA GLY A 23 10.379 14.612 4.807 1.00 42.31 C ATOM 358 C GLY A 23 11.801 14.876 4.353 1.00 24.24 C ATOM 359 O GLY A 23 12.312 14.196 3.463 1.00 22.01 O ATOM 0 H GLY A 23 9.876 13.845 2.924 1.00 71.22 H new ATOM 0 HA2 GLY A 23 9.840 15.557 4.872 1.00 42.31 H new ATOM 0 HA3 GLY A 23 10.394 14.184 5.809 1.00 42.31 H new ATOM 363 N ASP A 24 12.442 15.866 4.965 1.00 32.22 N ATOM 364 CA ASP A 24 13.814 16.218 4.619 1.00 51.32 C ATOM 365 C ASP A 24 14.785 15.744 5.695 1.00 21.22 C ATOM 366 O ASP A 24 14.480 15.795 6.887 1.00 60.41 O ATOM 367 CB ASP A 24 13.942 17.731 4.429 1.00 22.53 C ATOM 368 CG ASP A 24 15.305 18.134 3.903 1.00 43.43 C ATOM 369 OD1 ASP A 24 15.507 18.074 2.672 1.00 1.20 O ATOM 370 OD2 ASP A 24 16.171 18.510 4.721 1.00 34.05 O ATOM 0 H ASP A 24 12.033 16.439 5.703 1.00 32.22 H new ATOM 0 HA ASP A 24 14.066 15.719 3.683 1.00 51.32 H new ATOM 0 HB2 ASP A 24 13.173 18.074 3.737 1.00 22.53 H new ATOM 0 HB3 ASP A 24 13.761 18.231 5.381 1.00 22.53 H new ATOM 375 N TYR A 25 15.955 15.282 5.267 1.00 33.12 N ATOM 376 CA TYR A 25 16.969 14.795 6.194 1.00 65.21 C ATOM 377 C TYR A 25 18.329 15.418 5.890 1.00 34.33 C ATOM 378 O TYR A 25 18.685 15.623 4.731 1.00 74.23 O ATOM 379 CB TYR A 25 17.067 13.270 6.121 1.00 41.01 C ATOM 380 CG TYR A 25 15.725 12.575 6.154 1.00 53.11 C ATOM 381 CD1 TYR A 25 14.839 12.683 5.089 1.00 35.40 C ATOM 382 CD2 TYR A 25 15.342 11.812 7.250 1.00 71.10 C ATOM 383 CE1 TYR A 25 13.611 12.050 5.115 1.00 54.11 C ATOM 384 CE2 TYR A 25 14.117 11.175 7.284 1.00 73.32 C ATOM 385 CZ TYR A 25 13.255 11.297 6.214 1.00 35.02 C ATOM 386 OH TYR A 25 12.033 10.665 6.245 1.00 74.13 O ATOM 0 H TYR A 25 16.224 15.235 4.284 1.00 33.12 H new ATOM 0 HA TYR A 25 16.673 15.086 7.202 1.00 65.21 H new ATOM 0 HB2 TYR A 25 17.589 12.991 5.205 1.00 41.01 H new ATOM 0 HB3 TYR A 25 17.672 12.913 6.954 1.00 41.01 H new ATOM 0 HD1 TYR A 25 15.115 13.272 4.226 1.00 35.40 H new ATOM 0 HD2 TYR A 25 16.014 11.715 8.090 1.00 71.10 H new ATOM 0 HE1 TYR A 25 12.934 12.144 4.279 1.00 54.11 H new ATOM 0 HE2 TYR A 25 13.836 10.585 8.143 1.00 73.32 H new ATOM 0 HH TYR A 25 11.665 10.620 5.338 1.00 74.13 H new ATOM 396 N ASN A 26 19.084 15.716 6.942 1.00 30.25 N ATOM 397 CA ASN A 26 20.405 16.315 6.790 1.00 53.40 C ATOM 398 C ASN A 26 21.497 15.254 6.876 1.00 22.02 C ATOM 399 O ASN A 26 21.214 14.068 7.048 1.00 35.33 O ATOM 400 CB ASN A 26 20.630 17.383 7.862 1.00 12.33 C ATOM 401 CG ASN A 26 20.238 16.904 9.247 1.00 63.12 C ATOM 402 OD1 ASN A 26 21.064 16.370 9.987 1.00 31.34 O ATOM 403 ND2 ASN A 26 18.973 17.093 9.602 1.00 11.13 N ATOM 0 H ASN A 26 18.804 15.553 7.909 1.00 30.25 H new ATOM 0 HA ASN A 26 20.454 16.781 5.806 1.00 53.40 H new ATOM 0 HB2 ASN A 26 21.680 17.675 7.865 1.00 12.33 H new ATOM 0 HB3 ASN A 26 20.053 18.273 7.611 1.00 12.33 H new ATOM 0 HD21 ASN A 26 18.651 16.791 10.521 1.00 11.13 H new ATOM 0 HD22 ASN A 26 18.323 17.540 8.955 1.00 11.13 H new ATOM 410 N LEU A 27 22.747 15.688 6.756 1.00 11.21 N ATOM 411 CA LEU A 27 23.883 14.776 6.821 1.00 24.11 C ATOM 412 C LEU A 27 23.842 13.945 8.099 1.00 20.33 C ATOM 413 O LEU A 27 24.014 12.726 8.065 1.00 1.31 O ATOM 414 CB LEU A 27 25.196 15.559 6.751 1.00 74.14 C ATOM 415 CG LEU A 27 26.451 14.805 7.189 1.00 25.13 C ATOM 416 CD1 LEU A 27 27.662 15.281 6.402 1.00 4.21 C ATOM 417 CD2 LEU A 27 26.683 14.978 8.683 1.00 33.34 C ATOM 0 H LEU A 27 22.999 16.666 6.613 1.00 11.21 H new ATOM 0 HA LEU A 27 23.824 14.100 5.968 1.00 24.11 H new ATOM 0 HB2 LEU A 27 25.339 15.898 5.725 1.00 74.14 H new ATOM 0 HB3 LEU A 27 25.097 16.451 7.370 1.00 74.14 H new ATOM 0 HG LEU A 27 26.304 13.745 6.984 1.00 25.13 H new ATOM 0 HD11 LEU A 27 28.546 14.733 6.728 1.00 4.21 H new ATOM 0 HD12 LEU A 27 27.497 15.105 5.339 1.00 4.21 H new ATOM 0 HD13 LEU A 27 27.812 16.347 6.574 1.00 4.21 H new ATOM 0 HD21 LEU A 27 27.581 14.434 8.977 1.00 33.34 H new ATOM 0 HD22 LEU A 27 26.808 16.036 8.912 1.00 33.34 H new ATOM 0 HD23 LEU A 27 25.826 14.587 9.232 1.00 33.34 H new ATOM 429 N SER A 28 23.610 14.612 9.226 1.00 65.54 N ATOM 430 CA SER A 28 23.548 13.935 10.516 1.00 73.44 C ATOM 431 C SER A 28 22.330 13.018 10.590 1.00 42.24 C ATOM 432 O SER A 28 22.328 12.028 11.321 1.00 64.24 O ATOM 433 CB SER A 28 23.499 14.959 11.651 1.00 30.20 C ATOM 434 OG SER A 28 23.830 16.255 11.183 1.00 33.12 O ATOM 0 H SER A 28 23.462 15.620 9.271 1.00 65.54 H new ATOM 0 HA SER A 28 24.446 13.327 10.623 1.00 73.44 H new ATOM 0 HB2 SER A 28 22.502 14.971 12.091 1.00 30.20 H new ATOM 0 HB3 SER A 28 24.192 14.666 12.440 1.00 30.20 H new ATOM 0 HG SER A 28 23.040 16.668 10.776 1.00 33.12 H new ATOM 440 N SER A 29 21.296 13.357 9.827 1.00 75.51 N ATOM 441 CA SER A 29 20.069 12.567 9.808 1.00 45.42 C ATOM 442 C SER A 29 20.270 11.270 9.030 1.00 3.31 C ATOM 443 O SER A 29 19.622 10.260 9.306 1.00 1.05 O ATOM 444 CB SER A 29 18.927 13.375 9.188 1.00 5.23 C ATOM 445 OG SER A 29 17.692 12.692 9.315 1.00 3.32 O ATOM 0 H SER A 29 21.283 14.172 9.214 1.00 75.51 H new ATOM 0 HA SER A 29 19.811 12.317 10.837 1.00 45.42 H new ATOM 0 HB2 SER A 29 18.860 14.348 9.675 1.00 5.23 H new ATOM 0 HB3 SER A 29 19.138 13.559 8.135 1.00 5.23 H new ATOM 0 HG SER A 29 16.973 13.243 8.941 1.00 3.32 H new ATOM 451 N LEU A 30 21.173 11.306 8.056 1.00 73.01 N ATOM 452 CA LEU A 30 21.461 10.134 7.236 1.00 33.14 C ATOM 453 C LEU A 30 21.986 8.986 8.093 1.00 14.20 C ATOM 454 O LEU A 30 21.462 7.873 8.044 1.00 24.40 O ATOM 455 CB LEU A 30 22.481 10.484 6.152 1.00 71.24 C ATOM 456 CG LEU A 30 21.916 11.105 4.874 1.00 74.22 C ATOM 457 CD1 LEU A 30 22.987 11.906 4.150 1.00 20.24 C ATOM 458 CD2 LEU A 30 21.347 10.026 3.963 1.00 41.50 C ATOM 0 H LEU A 30 21.718 12.134 7.815 1.00 73.01 H new ATOM 0 HA LEU A 30 20.532 9.815 6.763 1.00 33.14 H new ATOM 0 HB2 LEU A 30 23.210 11.175 6.576 1.00 71.24 H new ATOM 0 HB3 LEU A 30 23.021 9.576 5.883 1.00 71.24 H new ATOM 0 HG LEU A 30 21.109 11.783 5.149 1.00 74.22 H new ATOM 0 HD11 LEU A 30 22.566 12.340 3.243 1.00 20.24 H new ATOM 0 HD12 LEU A 30 23.347 12.703 4.800 1.00 20.24 H new ATOM 0 HD13 LEU A 30 23.817 11.250 3.887 1.00 20.24 H new ATOM 0 HD21 LEU A 30 20.949 10.486 3.058 1.00 41.50 H new ATOM 0 HD22 LEU A 30 22.135 9.322 3.696 1.00 41.50 H new ATOM 0 HD23 LEU A 30 20.548 9.496 4.482 1.00 41.50 H new ATOM 470 N ILE A 31 23.020 9.266 8.878 1.00 4.01 N ATOM 471 CA ILE A 31 23.613 8.258 9.748 1.00 64.11 C ATOM 472 C ILE A 31 22.584 7.702 10.726 1.00 62.40 C ATOM 473 O ILE A 31 22.702 6.567 11.188 1.00 32.22 O ATOM 474 CB ILE A 31 24.803 8.829 10.542 1.00 63.32 C ATOM 475 CG1 ILE A 31 25.876 9.356 9.586 1.00 13.35 C ATOM 476 CG2 ILE A 31 25.383 7.766 11.464 1.00 44.45 C ATOM 477 CD1 ILE A 31 25.804 10.851 9.363 1.00 31.34 C ATOM 0 H ILE A 31 23.465 10.182 8.930 1.00 4.01 H new ATOM 0 HA ILE A 31 23.969 7.455 9.103 1.00 64.11 H new ATOM 0 HB ILE A 31 24.449 9.659 11.154 1.00 63.32 H new ATOM 0 HG12 ILE A 31 26.860 9.103 9.981 1.00 13.35 H new ATOM 0 HG13 ILE A 31 25.778 8.848 8.626 1.00 13.35 H new ATOM 0 HG21 ILE A 31 26.223 8.184 12.018 1.00 44.45 H new ATOM 0 HG22 ILE A 31 24.616 7.433 12.164 1.00 44.45 H new ATOM 0 HG23 ILE A 31 25.726 6.918 10.871 1.00 44.45 H new ATOM 0 HD11 ILE A 31 26.593 11.155 8.675 1.00 31.34 H new ATOM 0 HD12 ILE A 31 24.834 11.109 8.939 1.00 31.34 H new ATOM 0 HD13 ILE A 31 25.933 11.367 10.314 1.00 31.34 H new ATOM 489 N SER A 32 21.574 8.508 11.036 1.00 40.11 N ATOM 490 CA SER A 32 20.524 8.097 11.961 1.00 41.52 C ATOM 491 C SER A 32 19.900 6.776 11.522 1.00 23.05 C ATOM 492 O SER A 32 19.394 6.013 12.345 1.00 13.02 O ATOM 493 CB SER A 32 19.445 9.178 12.053 1.00 41.10 C ATOM 494 OG SER A 32 18.772 9.122 13.299 1.00 72.45 O ATOM 0 H SER A 32 21.460 9.449 10.660 1.00 40.11 H new ATOM 0 HA SER A 32 20.974 7.957 12.944 1.00 41.52 H new ATOM 0 HB2 SER A 32 19.899 10.161 11.925 1.00 41.10 H new ATOM 0 HB3 SER A 32 18.728 9.050 11.242 1.00 41.10 H new ATOM 0 HG SER A 32 18.089 9.824 13.334 1.00 72.45 H new ATOM 500 N ARG A 33 19.941 6.513 10.220 1.00 21.24 N ATOM 501 CA ARG A 33 19.379 5.285 9.671 1.00 21.32 C ATOM 502 C ARG A 33 20.463 4.439 9.009 1.00 3.23 C ATOM 503 O ARG A 33 20.184 3.643 8.114 1.00 51.32 O ATOM 504 CB ARG A 33 18.281 5.610 8.657 1.00 10.11 C ATOM 505 CG ARG A 33 17.282 6.643 9.152 1.00 35.20 C ATOM 506 CD ARG A 33 16.211 6.926 8.110 1.00 72.21 C ATOM 507 NE ARG A 33 14.889 6.488 8.551 1.00 50.25 N ATOM 508 CZ ARG A 33 14.185 7.109 9.491 1.00 71.24 C ATOM 509 NH1 ARG A 33 14.674 8.188 10.085 1.00 14.34 N ATOM 510 NH2 ARG A 33 12.989 6.650 9.837 1.00 20.11 N ATOM 0 H ARG A 33 20.357 7.134 9.526 1.00 21.24 H new ATOM 0 HA ARG A 33 18.948 4.714 10.493 1.00 21.32 H new ATOM 0 HB2 ARG A 33 18.742 5.974 7.739 1.00 10.11 H new ATOM 0 HB3 ARG A 33 17.748 4.693 8.405 1.00 10.11 H new ATOM 0 HG2 ARG A 33 16.813 6.287 10.070 1.00 35.20 H new ATOM 0 HG3 ARG A 33 17.805 7.567 9.399 1.00 35.20 H new ATOM 0 HD2 ARG A 33 16.186 7.995 7.897 1.00 72.21 H new ATOM 0 HD3 ARG A 33 16.468 6.421 7.179 1.00 72.21 H new ATOM 0 HE ARG A 33 14.484 5.660 8.113 1.00 50.25 H new ATOM 0 HH11 ARG A 33 15.593 8.543 9.821 1.00 14.34 H new ATOM 0 HH12 ARG A 33 14.132 8.663 10.806 1.00 14.34 H new ATOM 0 HH21 ARG A 33 12.610 5.820 9.381 1.00 20.11 H new ATOM 0 HH22 ARG A 33 12.449 7.127 10.559 1.00 20.11 H new ATOM 524 N GLY A 34 21.702 4.619 9.457 1.00 65.51 N ATOM 525 CA GLY A 34 22.810 3.866 8.897 1.00 53.13 C ATOM 526 C GLY A 34 23.148 4.298 7.483 1.00 33.35 C ATOM 527 O GLY A 34 23.521 3.474 6.649 1.00 45.44 O ATOM 0 H GLY A 34 21.958 5.272 10.197 1.00 65.51 H new ATOM 0 HA2 GLY A 34 23.688 3.991 9.531 1.00 53.13 H new ATOM 0 HA3 GLY A 34 22.562 2.804 8.900 1.00 53.13 H new ATOM 531 N ALA A 35 23.015 5.592 7.214 1.00 52.21 N ATOM 532 CA ALA A 35 23.309 6.132 5.892 1.00 22.52 C ATOM 533 C ALA A 35 24.385 7.210 5.966 1.00 21.43 C ATOM 534 O ALA A 35 24.464 7.956 6.943 1.00 41.43 O ATOM 535 CB ALA A 35 22.044 6.688 5.256 1.00 44.34 C ATOM 0 H ALA A 35 22.705 6.286 7.894 1.00 52.21 H new ATOM 0 HA ALA A 35 23.688 5.320 5.271 1.00 22.52 H new ATOM 0 HB1 ALA A 35 22.278 7.088 4.269 1.00 44.34 H new ATOM 0 HB2 ALA A 35 21.305 5.892 5.159 1.00 44.34 H new ATOM 0 HB3 ALA A 35 21.641 7.483 5.883 1.00 44.34 H new ATOM 541 N LEU A 36 25.212 7.285 4.930 1.00 43.44 N ATOM 542 CA LEU A 36 26.285 8.273 4.877 1.00 22.54 C ATOM 543 C LEU A 36 26.102 9.213 3.691 1.00 42.32 C ATOM 544 O LEU A 36 25.798 8.777 2.581 1.00 4.15 O ATOM 545 CB LEU A 36 27.643 7.575 4.785 1.00 61.52 C ATOM 546 CG LEU A 36 28.717 8.063 5.758 1.00 52.44 C ATOM 547 CD1 LEU A 36 28.905 9.567 5.633 1.00 14.55 C ATOM 548 CD2 LEU A 36 28.354 7.685 7.186 1.00 1.53 C ATOM 0 H LEU A 36 25.161 6.674 4.115 1.00 43.44 H new ATOM 0 HA LEU A 36 26.248 8.863 5.793 1.00 22.54 H new ATOM 0 HB2 LEU A 36 27.492 6.508 4.948 1.00 61.52 H new ATOM 0 HB3 LEU A 36 28.021 7.692 3.769 1.00 61.52 H new ATOM 0 HG LEU A 36 29.659 7.577 5.504 1.00 52.44 H new ATOM 0 HD11 LEU A 36 29.673 9.897 6.333 1.00 14.55 H new ATOM 0 HD12 LEU A 36 29.211 9.812 4.616 1.00 14.55 H new ATOM 0 HD13 LEU A 36 27.966 10.071 5.861 1.00 14.55 H new ATOM 0 HD21 LEU A 36 29.129 8.040 7.865 1.00 1.53 H new ATOM 0 HD22 LEU A 36 27.401 8.142 7.452 1.00 1.53 H new ATOM 0 HD23 LEU A 36 28.271 6.601 7.266 1.00 1.53 H new ATOM 560 N ASN A 37 26.292 10.506 3.933 1.00 55.42 N ATOM 561 CA ASN A 37 26.149 11.509 2.884 1.00 50.25 C ATOM 562 C ASN A 37 26.980 11.137 1.659 1.00 12.31 C ATOM 563 O ASN A 37 26.485 11.154 0.532 1.00 32.30 O ATOM 564 CB ASN A 37 26.573 12.885 3.403 1.00 72.33 C ATOM 565 CG ASN A 37 27.987 12.885 3.951 1.00 51.24 C ATOM 566 OD1 ASN A 37 28.130 12.517 5.218 1.00 32.11 O flip ATOM 567 ND2 ASN A 37 28.939 13.213 3.242 1.00 21.24 N flip ATOM 0 H ASN A 37 26.545 10.884 4.846 1.00 55.42 H new ATOM 0 HA ASN A 37 25.099 11.546 2.592 1.00 50.25 H new ATOM 0 HB2 ASN A 37 26.499 13.614 2.596 1.00 72.33 H new ATOM 0 HB3 ASN A 37 25.883 13.204 4.184 1.00 72.33 H new ATOM 0 HD21 ASN A 37 28.782 13.489 2.273 1.00 21.24 H new ATOM 0 HD22 ASN A 37 29.885 13.209 3.624 1.00 21.24 H new ATOM 574 N ASP A 38 28.244 10.802 1.889 1.00 64.00 N ATOM 575 CA ASP A 38 29.144 10.424 0.805 1.00 3.04 C ATOM 576 C ASP A 38 29.409 8.922 0.818 1.00 23.22 C ATOM 577 O ASP A 38 30.430 8.466 1.334 1.00 61.22 O ATOM 578 CB ASP A 38 30.464 11.188 0.920 1.00 42.30 C ATOM 579 CG ASP A 38 30.929 11.328 2.356 1.00 3.41 C ATOM 580 OD1 ASP A 38 30.744 10.371 3.136 1.00 32.23 O ATOM 581 OD2 ASP A 38 31.480 12.395 2.700 1.00 53.24 O ATOM 0 H ASP A 38 28.669 10.784 2.816 1.00 64.00 H new ATOM 0 HA ASP A 38 28.665 10.682 -0.139 1.00 3.04 H new ATOM 0 HB2 ASP A 38 31.231 10.672 0.342 1.00 42.30 H new ATOM 0 HB3 ASP A 38 30.346 12.179 0.481 1.00 42.30 H new ATOM 586 N ASP A 39 28.483 8.158 0.249 1.00 44.23 N ATOM 587 CA ASP A 39 28.617 6.707 0.194 1.00 33.03 C ATOM 588 C ASP A 39 27.516 6.092 -0.665 1.00 4.01 C ATOM 589 O ASP A 39 27.748 5.123 -1.389 1.00 70.11 O ATOM 590 CB ASP A 39 28.570 6.116 1.604 1.00 2.03 C ATOM 591 CG ASP A 39 28.442 4.605 1.595 1.00 53.50 C ATOM 592 OD1 ASP A 39 29.240 3.947 0.896 1.00 32.12 O ATOM 593 OD2 ASP A 39 27.542 4.082 2.286 1.00 64.12 O ATOM 0 H ASP A 39 27.631 8.519 -0.181 1.00 44.23 H new ATOM 0 HA ASP A 39 29.580 6.472 -0.259 1.00 33.03 H new ATOM 0 HB2 ASP A 39 29.474 6.398 2.143 1.00 2.03 H new ATOM 0 HB3 ASP A 39 27.728 6.546 2.147 1.00 2.03 H new ATOM 598 N LEU A 40 26.319 6.660 -0.579 1.00 52.30 N ATOM 599 CA LEU A 40 25.181 6.168 -1.348 1.00 22.40 C ATOM 600 C LEU A 40 25.537 6.040 -2.826 1.00 21.33 C ATOM 601 O LEU A 40 26.083 6.966 -3.425 1.00 61.23 O ATOM 602 CB LEU A 40 23.983 7.103 -1.179 1.00 52.24 C ATOM 603 CG LEU A 40 22.947 6.686 -0.135 1.00 21.23 C ATOM 604 CD1 LEU A 40 22.316 5.355 -0.511 1.00 75.35 C ATOM 605 CD2 LEU A 40 23.584 6.605 1.245 1.00 60.41 C ATOM 0 H LEU A 40 26.111 7.462 0.016 1.00 52.30 H new ATOM 0 HA LEU A 40 24.918 5.180 -0.970 1.00 22.40 H new ATOM 0 HB2 LEU A 40 24.355 8.093 -0.917 1.00 52.24 H new ATOM 0 HB3 LEU A 40 23.481 7.196 -2.142 1.00 52.24 H new ATOM 0 HG LEU A 40 22.162 7.442 -0.108 1.00 21.23 H new ATOM 0 HD11 LEU A 40 21.581 5.075 0.244 1.00 75.35 H new ATOM 0 HD12 LEU A 40 21.825 5.446 -1.480 1.00 75.35 H new ATOM 0 HD13 LEU A 40 23.089 4.589 -0.567 1.00 75.35 H new ATOM 0 HD21 LEU A 40 22.832 6.307 1.976 1.00 60.41 H new ATOM 0 HD22 LEU A 40 24.389 5.870 1.232 1.00 60.41 H new ATOM 0 HD23 LEU A 40 23.988 7.580 1.517 1.00 60.41 H new ATOM 617 N SER A 41 25.222 4.887 -3.407 1.00 61.23 N ATOM 618 CA SER A 41 25.510 4.637 -4.815 1.00 20.02 C ATOM 619 C SER A 41 24.223 4.396 -5.598 1.00 62.11 C ATOM 620 O SER A 41 24.161 4.642 -6.803 1.00 1.45 O ATOM 621 CB SER A 41 26.442 3.433 -4.961 1.00 24.24 C ATOM 622 OG SER A 41 27.799 3.841 -5.007 1.00 33.41 O ATOM 0 H SER A 41 24.768 4.111 -2.925 1.00 61.23 H new ATOM 0 HA SER A 41 26.003 5.520 -5.222 1.00 20.02 H new ATOM 0 HB2 SER A 41 26.293 2.750 -4.125 1.00 24.24 H new ATOM 0 HB3 SER A 41 26.193 2.884 -5.869 1.00 24.24 H new ATOM 0 HG SER A 41 28.375 3.053 -5.099 1.00 33.41 H new ATOM 628 N SER A 42 23.198 3.912 -4.905 1.00 14.14 N ATOM 629 CA SER A 42 21.912 3.633 -5.535 1.00 4.43 C ATOM 630 C SER A 42 20.761 3.953 -4.586 1.00 4.05 C ATOM 631 O SER A 42 20.972 4.203 -3.399 1.00 41.42 O ATOM 632 CB SER A 42 21.840 2.168 -5.967 1.00 73.32 C ATOM 633 OG SER A 42 21.101 2.026 -7.169 1.00 5.55 O ATOM 0 H SER A 42 23.232 3.705 -3.907 1.00 14.14 H new ATOM 0 HA SER A 42 21.821 4.269 -6.415 1.00 4.43 H new ATOM 0 HB2 SER A 42 22.848 1.777 -6.108 1.00 73.32 H new ATOM 0 HB3 SER A 42 21.376 1.576 -5.179 1.00 73.32 H new ATOM 0 HG SER A 42 20.602 2.851 -7.345 1.00 5.55 H new ATOM 639 N ALA A 43 19.544 3.942 -5.118 1.00 13.44 N ATOM 640 CA ALA A 43 18.358 4.229 -4.319 1.00 25.20 C ATOM 641 C ALA A 43 17.085 3.883 -5.083 1.00 31.52 C ATOM 642 O ALA A 43 16.746 4.534 -6.071 1.00 31.01 O ATOM 643 CB ALA A 43 18.344 5.692 -3.901 1.00 65.13 C ATOM 0 H ALA A 43 19.353 3.738 -6.099 1.00 13.44 H new ATOM 0 HA ALA A 43 18.394 3.608 -3.424 1.00 25.20 H new ATOM 0 HB1 ALA A 43 17.453 5.892 -3.305 1.00 65.13 H new ATOM 0 HB2 ALA A 43 19.233 5.910 -3.309 1.00 65.13 H new ATOM 0 HB3 ALA A 43 18.336 6.324 -4.789 1.00 65.13 H new ATOM 649 N ARG A 44 16.384 2.853 -4.619 1.00 52.11 N ATOM 650 CA ARG A 44 15.148 2.419 -5.260 1.00 44.43 C ATOM 651 C ARG A 44 13.944 3.146 -4.668 1.00 23.42 C ATOM 652 O ARG A 44 13.849 3.323 -3.453 1.00 74.42 O ATOM 653 CB ARG A 44 14.972 0.908 -5.106 1.00 62.41 C ATOM 654 CG ARG A 44 13.941 0.315 -6.053 1.00 21.14 C ATOM 655 CD ARG A 44 12.901 -0.502 -5.302 1.00 71.13 C ATOM 656 NE ARG A 44 12.025 -1.238 -6.209 1.00 73.45 N ATOM 657 CZ ARG A 44 12.392 -2.342 -6.851 1.00 52.14 C ATOM 658 NH1 ARG A 44 13.612 -2.834 -6.686 1.00 73.21 N ATOM 659 NH2 ARG A 44 11.538 -2.956 -7.660 1.00 54.44 N ATOM 0 H ARG A 44 16.651 2.304 -3.802 1.00 52.11 H new ATOM 0 HA ARG A 44 15.213 2.664 -6.320 1.00 44.43 H new ATOM 0 HB2 ARG A 44 15.932 0.420 -5.275 1.00 62.41 H new ATOM 0 HB3 ARG A 44 14.679 0.688 -4.079 1.00 62.41 H new ATOM 0 HG2 ARG A 44 13.448 1.116 -6.604 1.00 21.14 H new ATOM 0 HG3 ARG A 44 14.441 -0.317 -6.788 1.00 21.14 H new ATOM 0 HD2 ARG A 44 13.403 -1.203 -4.635 1.00 71.13 H new ATOM 0 HD3 ARG A 44 12.302 0.160 -4.677 1.00 71.13 H new ATOM 0 HE ARG A 44 11.080 -0.885 -6.358 1.00 73.45 H new ATOM 0 HH11 ARG A 44 14.271 -2.365 -6.065 1.00 73.21 H new ATOM 0 HH12 ARG A 44 13.891 -3.682 -7.180 1.00 73.21 H new ATOM 0 HH21 ARG A 44 10.599 -2.581 -7.790 1.00 54.44 H new ATOM 0 HH22 ARG A 44 11.821 -3.803 -8.152 1.00 54.44 H new ATOM 673 N VAL A 45 13.027 3.565 -5.534 1.00 62.30 N ATOM 674 CA VAL A 45 11.829 4.271 -5.097 1.00 0.20 C ATOM 675 C VAL A 45 10.575 3.656 -5.707 1.00 72.22 C ATOM 676 O VAL A 45 10.582 3.158 -6.833 1.00 42.24 O ATOM 677 CB VAL A 45 11.890 5.764 -5.472 1.00 34.14 C ATOM 678 CG1 VAL A 45 13.155 6.402 -4.919 1.00 50.34 C ATOM 679 CG2 VAL A 45 11.810 5.938 -6.981 1.00 32.32 C ATOM 0 H VAL A 45 13.091 3.428 -6.543 1.00 62.30 H new ATOM 0 HA VAL A 45 11.784 4.178 -4.012 1.00 0.20 H new ATOM 0 HB VAL A 45 11.033 6.268 -5.026 1.00 34.14 H new ATOM 0 HG11 VAL A 45 13.181 7.456 -5.194 1.00 50.34 H new ATOM 0 HG12 VAL A 45 13.164 6.310 -3.833 1.00 50.34 H new ATOM 0 HG13 VAL A 45 14.028 5.898 -5.333 1.00 50.34 H new ATOM 0 HG21 VAL A 45 11.854 6.999 -7.228 1.00 32.32 H new ATOM 0 HG22 VAL A 45 12.646 5.421 -7.452 1.00 32.32 H new ATOM 0 HG23 VAL A 45 10.872 5.520 -7.346 1.00 32.32 H new ATOM 689 N PRO A 46 9.470 3.689 -4.948 1.00 13.51 N ATOM 690 CA PRO A 46 8.186 3.140 -5.394 1.00 12.11 C ATOM 691 C PRO A 46 7.560 3.965 -6.514 1.00 21.44 C ATOM 692 O PRO A 46 8.088 5.007 -6.899 1.00 44.42 O ATOM 693 CB PRO A 46 7.317 3.202 -4.135 1.00 22.30 C ATOM 694 CG PRO A 46 7.911 4.298 -3.319 1.00 34.54 C ATOM 695 CD PRO A 46 9.388 4.267 -3.596 1.00 22.12 C ATOM 0 HA PRO A 46 8.293 2.137 -5.806 1.00 12.11 H new ATOM 0 HB2 PRO A 46 6.276 3.412 -4.382 1.00 22.30 H new ATOM 0 HB3 PRO A 46 7.332 2.254 -3.596 1.00 22.30 H new ATOM 0 HG2 PRO A 46 7.483 5.263 -3.591 1.00 34.54 H new ATOM 0 HG3 PRO A 46 7.710 4.148 -2.258 1.00 34.54 H new ATOM 0 HD2 PRO A 46 9.825 5.265 -3.559 1.00 22.12 H new ATOM 0 HD3 PRO A 46 9.921 3.658 -2.866 1.00 22.12 H new ATOM 703 N SER A 47 6.431 3.491 -7.032 1.00 24.44 N ATOM 704 CA SER A 47 5.735 4.183 -8.110 1.00 24.21 C ATOM 705 C SER A 47 4.923 5.355 -7.568 1.00 32.23 C ATOM 706 O SER A 47 3.955 5.166 -6.831 1.00 45.23 O ATOM 707 CB SER A 47 4.818 3.214 -8.858 1.00 34.23 C ATOM 708 OG SER A 47 5.505 2.023 -9.202 1.00 50.41 O ATOM 0 H SER A 47 5.979 2.631 -6.722 1.00 24.44 H new ATOM 0 HA SER A 47 6.483 4.571 -8.802 1.00 24.21 H new ATOM 0 HB2 SER A 47 3.955 2.973 -8.237 1.00 34.23 H new ATOM 0 HB3 SER A 47 4.438 3.692 -9.761 1.00 34.23 H new ATOM 0 HG SER A 47 4.896 1.420 -9.678 1.00 50.41 H new ATOM 714 N GLY A 48 5.324 6.567 -7.938 1.00 42.03 N ATOM 715 CA GLY A 48 4.624 7.753 -7.481 1.00 34.44 C ATOM 716 C GLY A 48 5.322 8.425 -6.315 1.00 73.11 C ATOM 717 O GLY A 48 4.671 8.931 -5.400 1.00 31.22 O ATOM 0 H GLY A 48 6.122 6.749 -8.547 1.00 42.03 H new ATOM 0 HA2 GLY A 48 4.538 8.461 -8.306 1.00 34.44 H new ATOM 0 HA3 GLY A 48 3.610 7.482 -7.186 1.00 34.44 H new ATOM 721 N LEU A 49 6.650 8.430 -6.346 1.00 73.22 N ATOM 722 CA LEU A 49 7.438 9.044 -5.283 1.00 73.20 C ATOM 723 C LEU A 49 8.547 9.916 -5.862 1.00 13.52 C ATOM 724 O LEU A 49 9.261 9.505 -6.776 1.00 21.41 O ATOM 725 CB LEU A 49 8.040 7.966 -4.380 1.00 60.22 C ATOM 726 CG LEU A 49 8.361 8.393 -2.947 1.00 72.44 C ATOM 727 CD1 LEU A 49 8.336 7.192 -2.015 1.00 23.34 C ATOM 728 CD2 LEU A 49 9.713 9.089 -2.888 1.00 72.43 C ATOM 0 H LEU A 49 7.204 8.016 -7.096 1.00 73.22 H new ATOM 0 HA LEU A 49 6.775 9.676 -4.692 1.00 73.20 H new ATOM 0 HB2 LEU A 49 7.348 7.125 -4.341 1.00 60.22 H new ATOM 0 HB3 LEU A 49 8.957 7.603 -4.844 1.00 60.22 H new ATOM 0 HG LEU A 49 7.598 9.098 -2.618 1.00 72.44 H new ATOM 0 HD11 LEU A 49 8.567 7.515 -1.000 1.00 23.34 H new ATOM 0 HD12 LEU A 49 7.346 6.736 -2.035 1.00 23.34 H new ATOM 0 HD13 LEU A 49 9.078 6.463 -2.341 1.00 23.34 H new ATOM 0 HD21 LEU A 49 9.925 9.386 -1.861 1.00 72.43 H new ATOM 0 HD22 LEU A 49 10.489 8.407 -3.236 1.00 72.43 H new ATOM 0 HD23 LEU A 49 9.695 9.973 -3.525 1.00 72.43 H new ATOM 740 N ARG A 50 8.686 11.123 -5.322 1.00 31.22 N ATOM 741 CA ARG A 50 9.709 12.053 -5.784 1.00 12.32 C ATOM 742 C ARG A 50 10.676 12.402 -4.656 1.00 54.41 C ATOM 743 O ARG A 50 10.287 12.472 -3.489 1.00 74.44 O ATOM 744 CB ARG A 50 9.061 13.328 -6.327 1.00 52.13 C ATOM 745 CG ARG A 50 9.791 13.921 -7.521 1.00 50.12 C ATOM 746 CD ARG A 50 8.818 14.482 -8.547 1.00 22.31 C ATOM 747 NE ARG A 50 9.505 14.997 -9.728 1.00 42.21 N ATOM 748 CZ ARG A 50 8.880 15.355 -10.844 1.00 70.53 C ATOM 749 NH1 ARG A 50 7.561 15.253 -10.931 1.00 12.43 N ATOM 750 NH2 ARG A 50 9.575 15.815 -11.877 1.00 74.20 N ATOM 0 H ARG A 50 8.103 11.479 -4.565 1.00 31.22 H new ATOM 0 HA ARG A 50 10.270 11.569 -6.584 1.00 12.32 H new ATOM 0 HB2 ARG A 50 8.032 13.109 -6.613 1.00 52.13 H new ATOM 0 HB3 ARG A 50 9.019 14.072 -5.531 1.00 52.13 H new ATOM 0 HG2 ARG A 50 10.461 14.712 -7.183 1.00 50.12 H new ATOM 0 HG3 ARG A 50 10.411 13.155 -7.987 1.00 50.12 H new ATOM 0 HD2 ARG A 50 8.117 13.702 -8.846 1.00 22.31 H new ATOM 0 HD3 ARG A 50 8.231 15.280 -8.092 1.00 22.31 H new ATOM 0 HE ARG A 50 10.520 15.087 -9.694 1.00 42.21 H new ATOM 0 HH11 ARG A 50 7.024 14.899 -10.140 1.00 12.43 H new ATOM 0 HH12 ARG A 50 7.084 15.529 -11.789 1.00 12.43 H new ATOM 0 HH21 ARG A 50 10.590 15.894 -11.814 1.00 74.20 H new ATOM 0 HH22 ARG A 50 9.094 16.090 -12.734 1.00 74.20 H new ATOM 764 N LEU A 51 11.937 12.621 -5.012 1.00 32.23 N ATOM 765 CA LEU A 51 12.960 12.962 -4.030 1.00 3.31 C ATOM 766 C LEU A 51 14.013 13.883 -4.639 1.00 24.33 C ATOM 767 O LEU A 51 14.214 13.894 -5.853 1.00 33.23 O ATOM 768 CB LEU A 51 13.625 11.693 -3.494 1.00 35.03 C ATOM 769 CG LEU A 51 13.897 10.593 -4.521 1.00 3.25 C ATOM 770 CD1 LEU A 51 15.183 9.855 -4.183 1.00 23.10 C ATOM 771 CD2 LEU A 51 12.726 9.624 -4.588 1.00 51.31 C ATOM 0 H LEU A 51 12.275 12.569 -5.973 1.00 32.23 H new ATOM 0 HA LEU A 51 12.477 13.487 -3.206 1.00 3.31 H new ATOM 0 HB2 LEU A 51 14.571 11.971 -3.030 1.00 35.03 H new ATOM 0 HB3 LEU A 51 12.993 11.280 -2.708 1.00 35.03 H new ATOM 0 HG LEU A 51 14.014 11.057 -5.500 1.00 3.25 H new ATOM 0 HD11 LEU A 51 15.361 9.076 -4.924 1.00 23.10 H new ATOM 0 HD12 LEU A 51 16.017 10.557 -4.187 1.00 23.10 H new ATOM 0 HD13 LEU A 51 15.094 9.403 -3.195 1.00 23.10 H new ATOM 0 HD21 LEU A 51 12.937 8.848 -5.324 1.00 51.31 H new ATOM 0 HD22 LEU A 51 12.577 9.166 -3.610 1.00 51.31 H new ATOM 0 HD23 LEU A 51 11.824 10.163 -4.878 1.00 51.31 H new ATOM 783 N GLU A 52 14.684 14.651 -3.786 1.00 43.35 N ATOM 784 CA GLU A 52 15.718 15.574 -4.242 1.00 30.45 C ATOM 785 C GLU A 52 16.985 15.427 -3.404 1.00 11.55 C ATOM 786 O GLU A 52 16.937 15.464 -2.174 1.00 30.31 O ATOM 787 CB GLU A 52 15.212 17.016 -4.173 1.00 73.12 C ATOM 788 CG GLU A 52 14.263 17.382 -5.302 1.00 13.00 C ATOM 789 CD GLU A 52 12.859 17.679 -4.811 1.00 30.51 C ATOM 790 OE1 GLU A 52 12.060 16.726 -4.691 1.00 12.44 O ATOM 791 OE2 GLU A 52 12.560 18.862 -4.547 1.00 74.34 O ATOM 0 H GLU A 52 14.531 14.653 -2.778 1.00 43.35 H new ATOM 0 HA GLU A 52 15.957 15.330 -5.277 1.00 30.45 H new ATOM 0 HB2 GLU A 52 14.706 17.169 -3.220 1.00 73.12 H new ATOM 0 HB3 GLU A 52 16.066 17.693 -4.193 1.00 73.12 H new ATOM 0 HG2 GLU A 52 14.651 18.253 -5.830 1.00 13.00 H new ATOM 0 HG3 GLU A 52 14.227 16.564 -6.021 1.00 13.00 H new ATOM 798 N VAL A 53 18.118 15.261 -4.078 1.00 50.55 N ATOM 799 CA VAL A 53 19.398 15.110 -3.398 1.00 3.25 C ATOM 800 C VAL A 53 20.094 16.456 -3.230 1.00 41.31 C ATOM 801 O VAL A 53 20.019 17.319 -4.105 1.00 43.12 O ATOM 802 CB VAL A 53 20.332 14.154 -4.163 1.00 73.14 C ATOM 803 CG1 VAL A 53 21.603 13.899 -3.369 1.00 24.52 C ATOM 804 CG2 VAL A 53 19.617 12.848 -4.475 1.00 74.00 C ATOM 0 H VAL A 53 18.175 15.228 -5.096 1.00 50.55 H new ATOM 0 HA VAL A 53 19.185 14.689 -2.415 1.00 3.25 H new ATOM 0 HB VAL A 53 20.611 14.624 -5.106 1.00 73.14 H new ATOM 0 HG11 VAL A 53 22.250 13.221 -3.926 1.00 24.52 H new ATOM 0 HG12 VAL A 53 22.123 14.842 -3.202 1.00 24.52 H new ATOM 0 HG13 VAL A 53 21.348 13.450 -2.409 1.00 24.52 H new ATOM 0 HG21 VAL A 53 20.291 12.184 -5.016 1.00 74.00 H new ATOM 0 HG22 VAL A 53 19.307 12.372 -3.545 1.00 74.00 H new ATOM 0 HG23 VAL A 53 18.739 13.051 -5.088 1.00 74.00 H new ATOM 814 N PHE A 54 20.772 16.629 -2.100 1.00 53.31 N ATOM 815 CA PHE A 54 21.481 17.871 -1.817 1.00 4.32 C ATOM 816 C PHE A 54 22.899 17.588 -1.328 1.00 11.31 C ATOM 817 O PHE A 54 23.110 17.264 -0.160 1.00 33.23 O ATOM 818 CB PHE A 54 20.723 18.690 -0.770 1.00 73.21 C ATOM 819 CG PHE A 54 19.248 18.788 -1.039 1.00 43.24 C ATOM 820 CD1 PHE A 54 18.783 19.258 -2.257 1.00 11.42 C ATOM 821 CD2 PHE A 54 18.328 18.411 -0.075 1.00 32.11 C ATOM 822 CE1 PHE A 54 17.427 19.350 -2.508 1.00 72.11 C ATOM 823 CE2 PHE A 54 16.971 18.500 -0.321 1.00 33.33 C ATOM 824 CZ PHE A 54 16.520 18.971 -1.538 1.00 74.12 C ATOM 0 H PHE A 54 20.845 15.925 -1.366 1.00 53.31 H new ATOM 0 HA PHE A 54 21.541 18.444 -2.742 1.00 4.32 H new ATOM 0 HB2 PHE A 54 20.876 18.241 0.211 1.00 73.21 H new ATOM 0 HB3 PHE A 54 21.145 19.694 -0.731 1.00 73.21 H new ATOM 0 HD1 PHE A 54 19.488 19.556 -3.019 1.00 11.42 H new ATOM 0 HD2 PHE A 54 18.675 18.043 0.879 1.00 32.11 H new ATOM 0 HE1 PHE A 54 17.077 19.718 -3.461 1.00 72.11 H new ATOM 0 HE2 PHE A 54 16.264 18.201 0.438 1.00 33.33 H new ATOM 0 HZ PHE A 54 15.460 19.043 -1.731 1.00 74.12 H new ATOM 834 N GLN A 55 23.866 17.714 -2.231 1.00 70.50 N ATOM 835 CA GLN A 55 25.263 17.470 -1.892 1.00 41.02 C ATOM 836 C GLN A 55 25.670 18.266 -0.657 1.00 4.31 C ATOM 837 O GLN A 55 26.451 17.793 0.170 1.00 15.02 O ATOM 838 CB GLN A 55 26.167 17.836 -3.071 1.00 11.43 C ATOM 839 CG GLN A 55 25.890 19.217 -3.644 1.00 35.30 C ATOM 840 CD GLN A 55 26.818 19.571 -4.789 1.00 24.35 C ATOM 841 OE1 GLN A 55 27.197 18.711 -5.585 1.00 0.13 O ATOM 842 NE2 GLN A 55 27.191 20.842 -4.877 1.00 41.22 N ATOM 0 H GLN A 55 23.708 17.983 -3.202 1.00 70.50 H new ATOM 0 HA GLN A 55 25.378 16.409 -1.671 1.00 41.02 H new ATOM 0 HB2 GLN A 55 27.207 17.787 -2.749 1.00 11.43 H new ATOM 0 HB3 GLN A 55 26.042 17.093 -3.859 1.00 11.43 H new ATOM 0 HG2 GLN A 55 24.858 19.262 -3.991 1.00 35.30 H new ATOM 0 HG3 GLN A 55 25.993 19.961 -2.854 1.00 35.30 H new ATOM 0 HE21 GLN A 55 26.853 21.521 -4.195 1.00 41.22 H new ATOM 0 HE22 GLN A 55 27.816 21.139 -5.626 1.00 41.22 H new ATOM 851 N HIS A 56 25.138 19.478 -0.538 1.00 12.40 N ATOM 852 CA HIS A 56 25.446 20.341 0.597 1.00 20.12 C ATOM 853 C HIS A 56 24.217 20.536 1.480 1.00 3.44 C ATOM 854 O HIS A 56 23.084 20.453 1.010 1.00 13.01 O ATOM 855 CB HIS A 56 25.959 21.696 0.110 1.00 5.24 C ATOM 856 CG HIS A 56 27.327 22.036 0.618 1.00 40.12 C ATOM 857 ND1 HIS A 56 28.440 22.085 -0.194 1.00 44.22 N ATOM 858 CD2 HIS A 56 27.757 22.347 1.863 1.00 24.30 C ATOM 859 CE1 HIS A 56 29.497 22.409 0.530 1.00 53.42 C ATOM 860 NE2 HIS A 56 29.109 22.574 1.782 1.00 42.12 N ATOM 0 H HIS A 56 24.491 19.885 -1.214 1.00 12.40 H new ATOM 0 HA HIS A 56 26.224 19.858 1.189 1.00 20.12 H new ATOM 0 HB2 HIS A 56 25.974 21.699 -0.980 1.00 5.24 H new ATOM 0 HB3 HIS A 56 25.261 22.473 0.422 1.00 5.24 H new ATOM 0 HD2 HIS A 56 27.150 22.406 2.754 1.00 24.30 H new ATOM 0 HE1 HIS A 56 30.506 22.520 0.161 1.00 53.42 H new ATOM 0 HE2 HIS A 56 29.715 22.829 2.562 1.00 42.12 H new ATOM 868 N ASN A 57 24.451 20.796 2.763 1.00 64.13 N ATOM 869 CA ASN A 57 23.363 21.002 3.712 1.00 65.22 C ATOM 870 C ASN A 57 22.902 22.456 3.703 1.00 73.11 C ATOM 871 O ASN A 57 23.607 23.339 3.217 1.00 62.32 O ATOM 872 CB ASN A 57 23.806 20.604 5.121 1.00 4.43 C ATOM 873 CG ASN A 57 25.029 21.374 5.582 1.00 43.13 C ATOM 874 OD1 ASN A 57 26.159 21.038 5.225 1.00 73.01 O ATOM 875 ND2 ASN A 57 24.809 22.413 6.379 1.00 52.14 N ATOM 0 H ASN A 57 25.384 20.869 3.169 1.00 64.13 H new ATOM 0 HA ASN A 57 22.526 20.372 3.410 1.00 65.22 H new ATOM 0 HB2 ASN A 57 22.987 20.777 5.819 1.00 4.43 H new ATOM 0 HB3 ASN A 57 24.023 19.536 5.143 1.00 4.43 H new ATOM 0 HD21 ASN A 57 25.593 22.969 6.721 1.00 52.14 H new ATOM 0 HD22 ASN A 57 23.856 22.655 6.649 1.00 52.14 H new ATOM 882 N ASN A 58 21.712 22.697 4.245 1.00 61.42 N ATOM 883 CA ASN A 58 21.156 24.044 4.299 1.00 34.44 C ATOM 884 C ASN A 58 20.919 24.592 2.895 1.00 20.25 C ATOM 885 O ASN A 58 20.885 25.805 2.689 1.00 53.03 O ATOM 886 CB ASN A 58 22.093 24.974 5.071 1.00 3.32 C ATOM 887 CG ASN A 58 21.347 25.879 6.033 1.00 22.31 C ATOM 888 OD1 ASN A 58 21.062 27.035 5.721 1.00 74.23 O ATOM 889 ND2 ASN A 58 21.028 25.355 7.211 1.00 61.32 N ATOM 0 H ASN A 58 21.115 21.977 4.653 1.00 61.42 H new ATOM 0 HA ASN A 58 20.198 23.994 4.816 1.00 34.44 H new ATOM 0 HB2 ASN A 58 22.817 24.377 5.626 1.00 3.32 H new ATOM 0 HB3 ASN A 58 22.657 25.584 4.366 1.00 3.32 H new ATOM 0 HD21 ASN A 58 20.526 25.916 7.900 1.00 61.32 H new ATOM 0 HD22 ASN A 58 21.285 24.392 7.427 1.00 61.32 H new ATOM 896 N PHE A 59 20.756 23.689 1.934 1.00 53.54 N ATOM 897 CA PHE A 59 20.523 24.082 0.549 1.00 55.03 C ATOM 898 C PHE A 59 21.581 25.075 0.079 1.00 5.33 C ATOM 899 O PHE A 59 21.261 26.169 -0.387 1.00 72.44 O ATOM 900 CB PHE A 59 19.129 24.696 0.398 1.00 20.31 C ATOM 901 CG PHE A 59 18.041 23.676 0.221 1.00 32.20 C ATOM 902 CD1 PHE A 59 17.907 22.624 1.113 1.00 12.35 C ATOM 903 CD2 PHE A 59 17.151 23.769 -0.837 1.00 65.34 C ATOM 904 CE1 PHE A 59 16.907 21.684 0.952 1.00 12.13 C ATOM 905 CE2 PHE A 59 16.149 22.832 -1.003 1.00 61.54 C ATOM 906 CZ PHE A 59 16.026 21.788 -0.107 1.00 1.43 C ATOM 0 H PHE A 59 20.781 22.681 2.088 1.00 53.54 H new ATOM 0 HA PHE A 59 20.588 23.188 -0.071 1.00 55.03 H new ATOM 0 HB2 PHE A 59 18.910 25.301 1.278 1.00 20.31 H new ATOM 0 HB3 PHE A 59 19.128 25.369 -0.459 1.00 20.31 H new ATOM 0 HD1 PHE A 59 18.592 22.538 1.944 1.00 12.35 H new ATOM 0 HD2 PHE A 59 17.242 24.584 -1.540 1.00 65.34 H new ATOM 0 HE1 PHE A 59 16.814 20.868 1.654 1.00 12.13 H new ATOM 0 HE2 PHE A 59 15.463 22.916 -1.833 1.00 61.54 H new ATOM 0 HZ PHE A 59 15.243 21.055 -0.234 1.00 1.43 H new ATOM 916 N LYS A 60 22.846 24.687 0.207 1.00 52.31 N ATOM 917 CA LYS A 60 23.954 25.541 -0.204 1.00 10.20 C ATOM 918 C LYS A 60 24.505 25.104 -1.557 1.00 60.14 C ATOM 919 O LYS A 60 24.876 25.935 -2.385 1.00 70.23 O ATOM 920 CB LYS A 60 25.067 25.509 0.846 1.00 34.43 C ATOM 921 CG LYS A 60 26.266 26.368 0.488 1.00 5.31 C ATOM 922 CD LYS A 60 27.315 25.573 -0.272 1.00 10.41 C ATOM 923 CE LYS A 60 28.648 26.304 -0.311 1.00 4.13 C ATOM 924 NZ LYS A 60 29.249 26.291 -1.674 1.00 34.15 N ATOM 0 H LYS A 60 23.129 23.786 0.592 1.00 52.31 H new ATOM 0 HA LYS A 60 23.579 26.560 -0.296 1.00 10.20 H new ATOM 0 HB2 LYS A 60 24.663 25.844 1.801 1.00 34.43 H new ATOM 0 HB3 LYS A 60 25.396 24.479 0.983 1.00 34.43 H new ATOM 0 HG2 LYS A 60 25.941 27.214 -0.117 1.00 5.31 H new ATOM 0 HG3 LYS A 60 26.706 26.777 1.397 1.00 5.31 H new ATOM 0 HD2 LYS A 60 27.447 24.599 0.199 1.00 10.41 H new ATOM 0 HD3 LYS A 60 26.969 25.391 -1.289 1.00 10.41 H new ATOM 0 HE2 LYS A 60 28.506 27.335 0.013 1.00 4.13 H new ATOM 0 HE3 LYS A 60 29.337 25.840 0.394 1.00 4.13 H new ATOM 0 HZ1 LYS A 60 30.156 26.799 -1.658 1.00 34.15 H new ATOM 0 HZ2 LYS A 60 29.408 25.308 -1.974 1.00 34.15 H new ATOM 0 HZ3 LYS A 60 28.603 26.757 -2.343 1.00 34.15 H new ATOM 938 N GLY A 61 24.554 23.793 -1.776 1.00 3.20 N ATOM 939 CA GLY A 61 25.060 23.269 -3.031 1.00 70.01 C ATOM 940 C GLY A 61 23.954 22.981 -4.027 1.00 10.11 C ATOM 941 O GLY A 61 22.773 23.146 -3.719 1.00 63.24 O ATOM 0 H GLY A 61 24.252 23.085 -1.107 1.00 3.20 H new ATOM 0 HA2 GLY A 61 25.758 23.985 -3.465 1.00 70.01 H new ATOM 0 HA3 GLY A 61 25.620 22.354 -2.840 1.00 70.01 H new ATOM 945 N VAL A 62 24.336 22.551 -5.225 1.00 51.14 N ATOM 946 CA VAL A 62 23.368 22.240 -6.270 1.00 53.33 C ATOM 947 C VAL A 62 22.323 21.247 -5.774 1.00 24.40 C ATOM 948 O VAL A 62 22.611 20.399 -4.929 1.00 32.12 O ATOM 949 CB VAL A 62 24.057 21.662 -7.520 1.00 43.13 C ATOM 950 CG1 VAL A 62 25.045 22.665 -8.097 1.00 71.34 C ATOM 951 CG2 VAL A 62 24.751 20.350 -7.187 1.00 33.23 C ATOM 0 H VAL A 62 25.309 22.410 -5.496 1.00 51.14 H new ATOM 0 HA VAL A 62 22.878 23.177 -6.535 1.00 53.33 H new ATOM 0 HB VAL A 62 23.295 21.463 -8.274 1.00 43.13 H new ATOM 0 HG11 VAL A 62 25.522 22.239 -8.980 1.00 71.34 H new ATOM 0 HG12 VAL A 62 24.517 23.577 -8.374 1.00 71.34 H new ATOM 0 HG13 VAL A 62 25.805 22.898 -7.351 1.00 71.34 H new ATOM 0 HG21 VAL A 62 25.233 19.956 -8.082 1.00 33.23 H new ATOM 0 HG22 VAL A 62 25.502 20.521 -6.416 1.00 33.23 H new ATOM 0 HG23 VAL A 62 24.016 19.632 -6.824 1.00 33.23 H new ATOM 961 N ARG A 63 21.110 21.357 -6.305 1.00 63.23 N ATOM 962 CA ARG A 63 20.022 20.468 -5.916 1.00 0.22 C ATOM 963 C ARG A 63 19.682 19.498 -7.044 1.00 1.24 C ATOM 964 O ARG A 63 19.512 19.903 -8.194 1.00 32.13 O ATOM 965 CB ARG A 63 18.783 21.281 -5.537 1.00 35.22 C ATOM 966 CG ARG A 63 18.131 21.984 -6.716 1.00 61.13 C ATOM 967 CD ARG A 63 17.260 23.144 -6.261 1.00 52.23 C ATOM 968 NE ARG A 63 17.415 24.315 -7.121 1.00 35.23 N ATOM 969 CZ ARG A 63 16.885 24.410 -8.335 1.00 54.11 C ATOM 970 NH1 ARG A 63 16.169 23.410 -8.830 1.00 71.21 N ATOM 971 NH2 ARG A 63 17.070 25.508 -9.057 1.00 13.13 N ATOM 0 H ARG A 63 20.856 22.053 -7.006 1.00 63.23 H new ATOM 0 HA ARG A 63 20.349 19.891 -5.051 1.00 0.22 H new ATOM 0 HB2 ARG A 63 18.053 20.619 -5.071 1.00 35.22 H new ATOM 0 HB3 ARG A 63 19.061 22.025 -4.790 1.00 35.22 H new ATOM 0 HG2 ARG A 63 18.902 22.351 -7.394 1.00 61.13 H new ATOM 0 HG3 ARG A 63 17.526 21.271 -7.277 1.00 61.13 H new ATOM 0 HD2 ARG A 63 16.215 22.833 -6.257 1.00 52.23 H new ATOM 0 HD3 ARG A 63 17.517 23.410 -5.236 1.00 52.23 H new ATOM 0 HE ARG A 63 17.960 25.102 -6.770 1.00 35.23 H new ATOM 0 HH11 ARG A 63 16.024 22.565 -8.278 1.00 71.21 H new ATOM 0 HH12 ARG A 63 15.763 23.486 -9.763 1.00 71.21 H new ATOM 0 HH21 ARG A 63 17.620 26.280 -8.680 1.00 13.13 H new ATOM 0 HH22 ARG A 63 16.663 25.580 -9.989 1.00 13.13 H new ATOM 985 N ASP A 64 19.586 18.217 -6.706 1.00 13.02 N ATOM 986 CA ASP A 64 19.266 17.189 -7.689 1.00 72.04 C ATOM 987 C ASP A 64 17.829 16.704 -7.521 1.00 24.23 C ATOM 988 O ASP A 64 17.120 17.136 -6.612 1.00 32.30 O ATOM 989 CB ASP A 64 20.233 16.011 -7.561 1.00 44.40 C ATOM 990 CG ASP A 64 20.477 15.315 -8.886 1.00 11.25 C ATOM 991 OD1 ASP A 64 21.130 15.919 -9.762 1.00 40.04 O ATOM 992 OD2 ASP A 64 20.015 14.166 -9.045 1.00 2.10 O ATOM 0 H ASP A 64 19.725 17.866 -5.759 1.00 13.02 H new ATOM 0 HA ASP A 64 19.369 17.627 -8.682 1.00 72.04 H new ATOM 0 HB2 ASP A 64 21.182 16.366 -7.160 1.00 44.40 H new ATOM 0 HB3 ASP A 64 19.833 15.293 -6.845 1.00 44.40 H new ATOM 997 N PHE A 65 17.407 15.804 -8.403 1.00 14.41 N ATOM 998 CA PHE A 65 16.054 15.262 -8.353 1.00 71.21 C ATOM 999 C PHE A 65 15.997 13.882 -9.002 1.00 22.23 C ATOM 1000 O PHE A 65 16.705 13.610 -9.972 1.00 55.54 O ATOM 1001 CB PHE A 65 15.076 16.208 -9.054 1.00 22.44 C ATOM 1002 CG PHE A 65 15.554 16.674 -10.399 1.00 53.40 C ATOM 1003 CD1 PHE A 65 15.359 15.894 -11.527 1.00 72.21 C ATOM 1004 CD2 PHE A 65 16.197 17.894 -10.536 1.00 32.02 C ATOM 1005 CE1 PHE A 65 15.798 16.321 -12.766 1.00 71.21 C ATOM 1006 CE2 PHE A 65 16.638 18.326 -11.772 1.00 52.53 C ATOM 1007 CZ PHE A 65 16.437 17.539 -12.889 1.00 41.11 C ATOM 0 H PHE A 65 17.982 15.435 -9.160 1.00 14.41 H new ATOM 0 HA PHE A 65 15.767 15.165 -7.306 1.00 71.21 H new ATOM 0 HB2 PHE A 65 14.117 15.704 -9.173 1.00 22.44 H new ATOM 0 HB3 PHE A 65 14.903 17.076 -8.418 1.00 22.44 H new ATOM 0 HD1 PHE A 65 14.858 14.941 -11.437 1.00 72.21 H new ATOM 0 HD2 PHE A 65 16.355 18.514 -9.666 1.00 32.02 H new ATOM 0 HE1 PHE A 65 15.641 15.703 -13.637 1.00 71.21 H new ATOM 0 HE2 PHE A 65 17.139 19.278 -11.865 1.00 52.53 H new ATOM 0 HZ PHE A 65 16.779 17.875 -13.857 1.00 41.11 H new ATOM 1017 N TYR A 66 15.152 13.014 -8.458 1.00 75.31 N ATOM 1018 CA TYR A 66 15.004 11.661 -8.981 1.00 31.42 C ATOM 1019 C TYR A 66 13.599 11.126 -8.719 1.00 62.32 C ATOM 1020 O TYR A 66 13.011 11.378 -7.667 1.00 60.01 O ATOM 1021 CB TYR A 66 16.041 10.731 -8.349 1.00 5.21 C ATOM 1022 CG TYR A 66 17.067 10.212 -9.331 1.00 43.20 C ATOM 1023 CD1 TYR A 66 16.677 9.630 -10.531 1.00 13.21 C ATOM 1024 CD2 TYR A 66 18.427 10.303 -9.059 1.00 33.31 C ATOM 1025 CE1 TYR A 66 17.610 9.154 -11.431 1.00 23.00 C ATOM 1026 CE2 TYR A 66 19.367 9.831 -9.954 1.00 23.53 C ATOM 1027 CZ TYR A 66 18.954 9.257 -11.138 1.00 62.21 C ATOM 1028 OH TYR A 66 19.888 8.784 -12.031 1.00 70.05 O ATOM 0 H TYR A 66 14.559 13.223 -7.655 1.00 75.31 H new ATOM 0 HA TYR A 66 15.165 11.696 -10.058 1.00 31.42 H new ATOM 0 HB2 TYR A 66 16.554 11.263 -7.548 1.00 5.21 H new ATOM 0 HB3 TYR A 66 15.527 9.885 -7.892 1.00 5.21 H new ATOM 0 HD1 TYR A 66 15.626 9.548 -10.764 1.00 13.21 H new ATOM 0 HD2 TYR A 66 18.754 10.750 -8.132 1.00 33.31 H new ATOM 0 HE1 TYR A 66 17.289 8.704 -12.359 1.00 23.00 H new ATOM 0 HE2 TYR A 66 20.420 9.911 -9.728 1.00 23.53 H new ATOM 0 HH TYR A 66 20.788 8.934 -11.673 1.00 70.05 H new ATOM 1038 N THR A 67 13.066 10.384 -9.685 1.00 61.21 N ATOM 1039 CA THR A 67 11.731 9.813 -9.562 1.00 30.34 C ATOM 1040 C THR A 67 11.675 8.411 -10.158 1.00 22.00 C ATOM 1041 O THR A 67 10.668 8.016 -10.746 1.00 24.34 O ATOM 1042 CB THR A 67 10.676 10.696 -10.255 1.00 20.43 C ATOM 1043 OG1 THR A 67 9.367 10.157 -10.038 1.00 22.34 O ATOM 1044 CG2 THR A 67 10.949 10.793 -11.748 1.00 54.01 C ATOM 0 H THR A 67 13.539 10.165 -10.562 1.00 61.21 H new ATOM 0 HA THR A 67 11.507 9.761 -8.497 1.00 30.34 H new ATOM 0 HB THR A 67 10.732 11.696 -9.826 1.00 20.43 H new ATOM 0 HG1 THR A 67 9.376 9.194 -10.219 1.00 22.34 H new ATOM 0 HG21 THR A 67 10.191 11.421 -12.216 1.00 54.01 H new ATOM 0 HG22 THR A 67 11.934 11.230 -11.910 1.00 54.01 H new ATOM 0 HG23 THR A 67 10.917 9.797 -12.189 1.00 54.01 H new ATOM 1052 N SER A 68 12.763 7.663 -10.002 1.00 71.04 N ATOM 1053 CA SER A 68 12.839 6.305 -10.529 1.00 15.23 C ATOM 1054 C SER A 68 14.029 5.558 -9.935 1.00 33.22 C ATOM 1055 O SER A 68 14.717 6.067 -9.050 1.00 34.02 O ATOM 1056 CB SER A 68 12.949 6.332 -12.054 1.00 53.34 C ATOM 1057 OG SER A 68 13.035 7.662 -12.536 1.00 11.31 O ATOM 0 H SER A 68 13.604 7.974 -9.515 1.00 71.04 H new ATOM 0 HA SER A 68 11.926 5.781 -10.247 1.00 15.23 H new ATOM 0 HB2 SER A 68 13.829 5.770 -12.368 1.00 53.34 H new ATOM 0 HB3 SER A 68 12.082 5.838 -12.493 1.00 53.34 H new ATOM 0 HG SER A 68 13.106 7.652 -13.513 1.00 11.31 H new ATOM 1063 N ASP A 69 14.265 4.347 -10.428 1.00 51.33 N ATOM 1064 CA ASP A 69 15.372 3.529 -9.948 1.00 61.43 C ATOM 1065 C ASP A 69 16.706 4.238 -10.164 1.00 35.25 C ATOM 1066 O ASP A 69 17.271 4.199 -11.256 1.00 22.13 O ATOM 1067 CB ASP A 69 15.380 2.175 -10.660 1.00 74.02 C ATOM 1068 CG ASP A 69 15.340 2.314 -12.169 1.00 43.33 C ATOM 1069 OD1 ASP A 69 14.230 2.457 -12.723 1.00 2.23 O ATOM 1070 OD2 ASP A 69 16.420 2.279 -12.797 1.00 55.41 O ATOM 0 H ASP A 69 13.704 3.910 -11.160 1.00 51.33 H new ATOM 0 HA ASP A 69 15.235 3.368 -8.879 1.00 61.43 H new ATOM 0 HB2 ASP A 69 16.274 1.622 -10.373 1.00 74.02 H new ATOM 0 HB3 ASP A 69 14.523 1.589 -10.329 1.00 74.02 H new ATOM 1075 N ALA A 70 17.201 4.886 -9.115 1.00 2.14 N ATOM 1076 CA ALA A 70 18.468 5.603 -9.189 1.00 0.34 C ATOM 1077 C ALA A 70 19.648 4.651 -9.029 1.00 62.20 C ATOM 1078 O ALA A 70 20.002 4.267 -7.915 1.00 11.25 O ATOM 1079 CB ALA A 70 18.520 6.694 -8.129 1.00 21.54 C ATOM 0 H ALA A 70 16.744 4.929 -8.204 1.00 2.14 H new ATOM 0 HA ALA A 70 18.539 6.065 -10.174 1.00 0.34 H new ATOM 0 HB1 ALA A 70 19.472 7.221 -8.196 1.00 21.54 H new ATOM 0 HB2 ALA A 70 17.703 7.398 -8.291 1.00 21.54 H new ATOM 0 HB3 ALA A 70 18.422 6.246 -7.140 1.00 21.54 H new ATOM 1085 N ALA A 71 20.253 4.272 -10.150 1.00 40.42 N ATOM 1086 CA ALA A 71 21.394 3.366 -10.134 1.00 62.31 C ATOM 1087 C ALA A 71 22.658 4.082 -9.670 1.00 31.11 C ATOM 1088 O ALA A 71 23.538 3.475 -9.061 1.00 33.52 O ATOM 1089 CB ALA A 71 21.606 2.759 -11.513 1.00 74.32 C ATOM 0 H ALA A 71 19.971 4.579 -11.081 1.00 40.42 H new ATOM 0 HA ALA A 71 21.180 2.566 -9.425 1.00 62.31 H new ATOM 0 HB1 ALA A 71 22.462 2.084 -11.486 1.00 74.32 H new ATOM 0 HB2 ALA A 71 20.715 2.204 -11.807 1.00 74.32 H new ATOM 0 HB3 ALA A 71 21.793 3.553 -12.235 1.00 74.32 H new ATOM 1095 N GLU A 72 22.741 5.376 -9.963 1.00 13.02 N ATOM 1096 CA GLU A 72 23.899 6.174 -9.576 1.00 34.50 C ATOM 1097 C GLU A 72 23.464 7.483 -8.923 1.00 60.41 C ATOM 1098 O GLU A 72 22.766 8.293 -9.535 1.00 22.15 O ATOM 1099 CB GLU A 72 24.775 6.465 -10.796 1.00 1.53 C ATOM 1100 CG GLU A 72 26.265 6.368 -10.512 1.00 53.30 C ATOM 1101 CD GLU A 72 27.003 7.656 -10.822 1.00 12.13 C ATOM 1102 OE1 GLU A 72 26.896 8.609 -10.022 1.00 21.12 O ATOM 1103 OE2 GLU A 72 27.688 7.710 -11.865 1.00 13.52 O ATOM 0 H GLU A 72 22.021 5.894 -10.467 1.00 13.02 H new ATOM 0 HA GLU A 72 24.477 5.602 -8.851 1.00 34.50 H new ATOM 0 HB2 GLU A 72 24.519 5.766 -11.592 1.00 1.53 H new ATOM 0 HB3 GLU A 72 24.548 7.465 -11.165 1.00 1.53 H new ATOM 0 HG2 GLU A 72 26.415 6.111 -9.463 1.00 53.30 H new ATOM 0 HG3 GLU A 72 26.692 5.558 -11.103 1.00 53.30 H new ATOM 1110 N LEU A 73 23.881 7.682 -7.678 1.00 12.52 N ATOM 1111 CA LEU A 73 23.535 8.893 -6.940 1.00 60.32 C ATOM 1112 C LEU A 73 23.879 10.140 -7.748 1.00 72.23 C ATOM 1113 O LEU A 73 24.716 10.096 -8.650 1.00 12.32 O ATOM 1114 CB LEU A 73 24.268 8.923 -5.598 1.00 62.40 C ATOM 1115 CG LEU A 73 23.414 8.648 -4.360 1.00 54.50 C ATOM 1116 CD1 LEU A 73 22.519 9.840 -4.055 1.00 20.25 C ATOM 1117 CD2 LEU A 73 22.581 7.390 -4.555 1.00 33.11 C ATOM 0 H LEU A 73 24.459 7.022 -7.158 1.00 12.52 H new ATOM 0 HA LEU A 73 22.460 8.884 -6.760 1.00 60.32 H new ATOM 0 HB2 LEU A 73 25.073 8.189 -5.630 1.00 62.40 H new ATOM 0 HB3 LEU A 73 24.734 9.902 -5.483 1.00 62.40 H new ATOM 0 HG LEU A 73 24.079 8.491 -3.511 1.00 54.50 H new ATOM 0 HD11 LEU A 73 21.918 9.627 -3.171 1.00 20.25 H new ATOM 0 HD12 LEU A 73 23.135 10.720 -3.872 1.00 20.25 H new ATOM 0 HD13 LEU A 73 21.862 10.028 -4.904 1.00 20.25 H new ATOM 0 HD21 LEU A 73 21.980 7.210 -3.664 1.00 33.11 H new ATOM 0 HD22 LEU A 73 21.925 7.518 -5.416 1.00 33.11 H new ATOM 0 HD23 LEU A 73 23.241 6.539 -4.725 1.00 33.11 H new ATOM 1129 N SER A 74 23.229 11.251 -7.418 1.00 35.15 N ATOM 1130 CA SER A 74 23.464 12.510 -8.114 1.00 1.55 C ATOM 1131 C SER A 74 24.953 12.842 -8.148 1.00 70.21 C ATOM 1132 O SER A 74 25.477 13.290 -9.168 1.00 72.11 O ATOM 1133 CB SER A 74 22.693 13.644 -7.435 1.00 3.51 C ATOM 1134 OG SER A 74 23.205 13.905 -6.139 1.00 70.13 O ATOM 0 H SER A 74 22.535 11.305 -6.672 1.00 35.15 H new ATOM 0 HA SER A 74 23.110 12.402 -9.139 1.00 1.55 H new ATOM 0 HB2 SER A 74 22.757 14.546 -8.043 1.00 3.51 H new ATOM 0 HB3 SER A 74 21.638 13.380 -7.366 1.00 3.51 H new ATOM 0 HG SER A 74 22.697 14.635 -5.727 1.00 70.13 H new ATOM 1140 N ARG A 75 25.629 12.618 -7.026 1.00 33.12 N ATOM 1141 CA ARG A 75 27.057 12.893 -6.926 1.00 11.40 C ATOM 1142 C ARG A 75 27.772 11.784 -6.160 1.00 44.24 C ATOM 1143 O ARG A 75 27.426 11.481 -5.019 1.00 10.35 O ATOM 1144 CB ARG A 75 27.292 14.238 -6.235 1.00 35.11 C ATOM 1145 CG ARG A 75 27.988 15.262 -7.116 1.00 1.11 C ATOM 1146 CD ARG A 75 27.033 15.860 -8.137 1.00 11.43 C ATOM 1147 NE ARG A 75 27.303 17.276 -8.375 1.00 73.30 N ATOM 1148 CZ ARG A 75 26.794 17.959 -9.394 1.00 42.41 C ATOM 1149 NH1 ARG A 75 25.993 17.361 -10.264 1.00 61.45 N ATOM 1150 NH2 ARG A 75 27.086 19.245 -9.544 1.00 4.13 N ATOM 0 H ARG A 75 25.210 12.247 -6.173 1.00 33.12 H new ATOM 0 HA ARG A 75 27.465 12.935 -7.936 1.00 11.40 H new ATOM 0 HB2 ARG A 75 26.333 14.642 -5.910 1.00 35.11 H new ATOM 0 HB3 ARG A 75 27.890 14.076 -5.338 1.00 35.11 H new ATOM 0 HG2 ARG A 75 28.402 16.056 -6.495 1.00 1.11 H new ATOM 0 HG3 ARG A 75 28.825 14.791 -7.631 1.00 1.11 H new ATOM 0 HD2 ARG A 75 27.116 15.312 -9.076 1.00 11.43 H new ATOM 0 HD3 ARG A 75 26.007 15.740 -7.788 1.00 11.43 H new ATOM 0 HE ARG A 75 27.915 17.767 -7.723 1.00 73.30 H new ATOM 0 HH11 ARG A 75 25.766 16.373 -10.152 1.00 61.45 H new ATOM 0 HH12 ARG A 75 25.604 17.889 -11.045 1.00 61.45 H new ATOM 0 HH21 ARG A 75 27.702 19.709 -8.876 1.00 4.13 H new ATOM 0 HH22 ARG A 75 26.695 19.769 -10.327 1.00 4.13 H new ATOM 1164 N ASP A 76 28.771 11.182 -6.797 1.00 52.21 N ATOM 1165 CA ASP A 76 29.536 10.107 -6.176 1.00 73.13 C ATOM 1166 C ASP A 76 30.078 10.540 -4.818 1.00 3.10 C ATOM 1167 O ASP A 76 30.923 11.430 -4.731 1.00 63.15 O ATOM 1168 CB ASP A 76 30.688 9.680 -7.087 1.00 52.12 C ATOM 1169 CG ASP A 76 31.030 8.211 -6.938 1.00 23.14 C ATOM 1170 OD1 ASP A 76 30.528 7.579 -5.985 1.00 2.11 O ATOM 1171 OD2 ASP A 76 31.801 7.693 -7.773 1.00 23.02 O ATOM 0 H ASP A 76 29.070 11.420 -7.743 1.00 52.21 H new ATOM 0 HA ASP A 76 28.868 9.259 -6.026 1.00 73.13 H new ATOM 0 HB2 ASP A 76 30.422 9.885 -8.124 1.00 52.12 H new ATOM 0 HB3 ASP A 76 31.569 10.280 -6.859 1.00 52.12 H new ATOM 1176 N ASN A 77 29.585 9.905 -3.760 1.00 23.04 N ATOM 1177 CA ASN A 77 30.020 10.226 -2.405 1.00 33.01 C ATOM 1178 C ASN A 77 29.913 11.725 -2.140 1.00 72.32 C ATOM 1179 O ASN A 77 30.923 12.418 -2.020 1.00 22.21 O ATOM 1180 CB ASN A 77 31.460 9.759 -2.185 1.00 0.33 C ATOM 1181 CG ASN A 77 31.533 8.347 -1.636 1.00 52.32 C ATOM 1182 OD1 ASN A 77 32.235 8.084 -0.660 1.00 10.21 O ATOM 1183 ND2 ASN A 77 30.805 7.431 -2.264 1.00 23.30 N ATOM 0 H ASN A 77 28.884 9.166 -3.814 1.00 23.04 H new ATOM 0 HA ASN A 77 29.366 9.704 -1.707 1.00 33.01 H new ATOM 0 HB2 ASN A 77 32.003 9.807 -3.129 1.00 0.33 H new ATOM 0 HB3 ASN A 77 31.959 10.440 -1.495 1.00 0.33 H new ATOM 0 HD21 ASN A 77 30.813 6.464 -1.941 1.00 23.30 H new ATOM 0 HD22 ASN A 77 30.238 7.695 -3.069 1.00 23.30 H new ATOM 1190 N ASP A 78 28.683 12.218 -2.050 1.00 75.41 N ATOM 1191 CA ASP A 78 28.443 13.634 -1.798 1.00 32.22 C ATOM 1192 C ASP A 78 26.948 13.926 -1.720 1.00 54.42 C ATOM 1193 O ASP A 78 26.341 14.374 -2.693 1.00 65.43 O ATOM 1194 CB ASP A 78 29.086 14.485 -2.894 1.00 75.00 C ATOM 1195 CG ASP A 78 30.382 15.128 -2.443 1.00 23.45 C ATOM 1196 OD1 ASP A 78 30.342 15.950 -1.503 1.00 31.41 O ATOM 1197 OD2 ASP A 78 31.438 14.808 -3.028 1.00 73.11 O ATOM 0 H ASP A 78 27.836 11.658 -2.148 1.00 75.41 H new ATOM 0 HA ASP A 78 28.895 13.889 -0.839 1.00 32.22 H new ATOM 0 HB2 ASP A 78 29.278 13.862 -3.768 1.00 75.00 H new ATOM 0 HB3 ASP A 78 28.387 15.262 -3.204 1.00 75.00 H new ATOM 1202 N ALA A 79 26.359 13.670 -0.557 1.00 22.24 N ATOM 1203 CA ALA A 79 24.936 13.907 -0.352 1.00 34.52 C ATOM 1204 C ALA A 79 24.655 14.363 1.076 1.00 73.41 C ATOM 1205 O ALA A 79 24.180 13.585 1.904 1.00 51.41 O ATOM 1206 CB ALA A 79 24.140 12.650 -0.673 1.00 21.24 C ATOM 0 H ALA A 79 26.846 13.298 0.258 1.00 22.24 H new ATOM 0 HA ALA A 79 24.625 14.704 -1.028 1.00 34.52 H new ATOM 0 HB1 ALA A 79 23.079 12.841 -0.515 1.00 21.24 H new ATOM 0 HB2 ALA A 79 24.308 12.369 -1.713 1.00 21.24 H new ATOM 0 HB3 ALA A 79 24.463 11.838 -0.021 1.00 21.24 H new ATOM 1212 N SER A 80 24.952 15.627 1.358 1.00 52.24 N ATOM 1213 CA SER A 80 24.735 16.185 2.687 1.00 3.42 C ATOM 1214 C SER A 80 23.305 15.934 3.155 1.00 1.54 C ATOM 1215 O SER A 80 23.069 15.140 4.065 1.00 35.22 O ATOM 1216 CB SER A 80 25.028 17.687 2.687 1.00 53.12 C ATOM 1217 OG SER A 80 26.400 17.939 2.932 1.00 45.42 O ATOM 0 H SER A 80 25.344 16.284 0.684 1.00 52.24 H new ATOM 0 HA SER A 80 25.417 15.689 3.378 1.00 3.42 H new ATOM 0 HB2 SER A 80 24.742 18.116 1.727 1.00 53.12 H new ATOM 0 HB3 SER A 80 24.423 18.179 3.449 1.00 53.12 H new ATOM 0 HG SER A 80 26.883 17.973 2.080 1.00 45.42 H new ATOM 1223 N SER A 81 22.355 16.618 2.527 1.00 54.55 N ATOM 1224 CA SER A 81 20.947 16.474 2.880 1.00 24.43 C ATOM 1225 C SER A 81 20.147 15.916 1.707 1.00 20.23 C ATOM 1226 O SER A 81 20.585 15.975 0.558 1.00 35.11 O ATOM 1227 CB SER A 81 20.367 17.821 3.313 1.00 2.42 C ATOM 1228 OG SER A 81 18.951 17.789 3.319 1.00 35.41 O ATOM 0 H SER A 81 22.534 17.278 1.770 1.00 54.55 H new ATOM 0 HA SER A 81 20.877 15.773 3.711 1.00 24.43 H new ATOM 0 HB2 SER A 81 20.732 18.074 4.308 1.00 2.42 H new ATOM 0 HB3 SER A 81 20.713 18.603 2.638 1.00 2.42 H new ATOM 0 HG SER A 81 18.641 17.164 4.008 1.00 35.41 H new ATOM 1234 N VAL A 82 18.971 15.374 2.006 1.00 33.43 N ATOM 1235 CA VAL A 82 18.107 14.805 0.978 1.00 43.51 C ATOM 1236 C VAL A 82 16.640 15.100 1.268 1.00 11.01 C ATOM 1237 O VAL A 82 16.281 15.477 2.384 1.00 52.03 O ATOM 1238 CB VAL A 82 18.300 13.282 0.862 1.00 65.24 C ATOM 1239 CG1 VAL A 82 19.605 12.962 0.147 1.00 33.35 C ATOM 1240 CG2 VAL A 82 18.264 12.634 2.238 1.00 55.05 C ATOM 0 H VAL A 82 18.594 15.317 2.952 1.00 33.43 H new ATOM 0 HA VAL A 82 18.389 15.272 0.034 1.00 43.51 H new ATOM 0 HB VAL A 82 17.480 12.873 0.272 1.00 65.24 H new ATOM 0 HG11 VAL A 82 19.724 11.881 0.074 1.00 33.35 H new ATOM 0 HG12 VAL A 82 19.587 13.393 -0.854 1.00 33.35 H new ATOM 0 HG13 VAL A 82 20.440 13.382 0.708 1.00 33.35 H new ATOM 0 HG21 VAL A 82 18.402 11.558 2.137 1.00 55.05 H new ATOM 0 HG22 VAL A 82 19.063 13.046 2.855 1.00 55.05 H new ATOM 0 HG23 VAL A 82 17.302 12.834 2.709 1.00 55.05 H new ATOM 1250 N ARG A 83 15.796 14.925 0.257 1.00 53.14 N ATOM 1251 CA ARG A 83 14.366 15.173 0.403 1.00 65.22 C ATOM 1252 C ARG A 83 13.552 14.036 -0.208 1.00 44.24 C ATOM 1253 O ARG A 83 13.799 13.621 -1.341 1.00 12.01 O ATOM 1254 CB ARG A 83 13.987 16.499 -0.258 1.00 51.13 C ATOM 1255 CG ARG A 83 13.268 17.461 0.674 1.00 23.30 C ATOM 1256 CD ARG A 83 13.623 18.907 0.364 1.00 22.45 C ATOM 1257 NE ARG A 83 12.593 19.834 0.824 1.00 34.30 N ATOM 1258 CZ ARG A 83 11.428 20.002 0.207 1.00 1.45 C ATOM 1259 NH1 ARG A 83 11.148 19.310 -0.888 1.00 33.02 N ATOM 1260 NH2 ARG A 83 10.541 20.865 0.687 1.00 41.01 N ATOM 0 H ARG A 83 16.077 14.612 -0.672 1.00 53.14 H new ATOM 0 HA ARG A 83 14.139 15.228 1.468 1.00 65.22 H new ATOM 0 HB2 ARG A 83 14.890 16.979 -0.635 1.00 51.13 H new ATOM 0 HB3 ARG A 83 13.350 16.297 -1.119 1.00 51.13 H new ATOM 0 HG2 ARG A 83 12.191 17.322 0.582 1.00 23.30 H new ATOM 0 HG3 ARG A 83 13.532 17.234 1.707 1.00 23.30 H new ATOM 0 HD2 ARG A 83 14.573 19.157 0.837 1.00 22.45 H new ATOM 0 HD3 ARG A 83 13.762 19.024 -0.711 1.00 22.45 H new ATOM 0 HE ARG A 83 12.778 20.382 1.664 1.00 34.30 H new ATOM 0 HH11 ARG A 83 11.828 18.646 -1.259 1.00 33.02 H new ATOM 0 HH12 ARG A 83 10.253 19.441 -1.359 1.00 33.02 H new ATOM 0 HH21 ARG A 83 10.754 21.399 1.529 1.00 41.01 H new ATOM 0 HH22 ARG A 83 9.647 20.994 0.213 1.00 41.01 H new ATOM 1274 N VAL A 84 12.581 13.537 0.550 1.00 63.55 N ATOM 1275 CA VAL A 84 11.730 12.448 0.083 1.00 44.41 C ATOM 1276 C VAL A 84 10.255 12.806 0.223 1.00 70.14 C ATOM 1277 O VAL A 84 9.838 13.382 1.227 1.00 13.22 O ATOM 1278 CB VAL A 84 12.008 11.147 0.858 1.00 34.14 C ATOM 1279 CG1 VAL A 84 13.496 10.834 0.861 1.00 21.35 C ATOM 1280 CG2 VAL A 84 11.473 11.250 2.279 1.00 61.51 C ATOM 0 H VAL A 84 12.364 13.869 1.490 1.00 63.55 H new ATOM 0 HA VAL A 84 11.964 12.291 -0.970 1.00 44.41 H new ATOM 0 HB VAL A 84 11.491 10.328 0.357 1.00 34.14 H new ATOM 0 HG11 VAL A 84 13.673 9.911 1.413 1.00 21.35 H new ATOM 0 HG12 VAL A 84 13.845 10.715 -0.165 1.00 21.35 H new ATOM 0 HG13 VAL A 84 14.039 11.651 1.337 1.00 21.35 H new ATOM 0 HG21 VAL A 84 11.678 10.322 2.813 1.00 61.51 H new ATOM 0 HG22 VAL A 84 11.960 12.079 2.792 1.00 61.51 H new ATOM 0 HG23 VAL A 84 10.397 11.423 2.251 1.00 61.51 H new ATOM 1290 N SER A 85 9.469 12.460 -0.792 1.00 22.30 N ATOM 1291 CA SER A 85 8.040 12.747 -0.784 1.00 75.02 C ATOM 1292 C SER A 85 7.305 11.875 -1.797 1.00 74.53 C ATOM 1293 O SER A 85 7.907 11.343 -2.730 1.00 24.00 O ATOM 1294 CB SER A 85 7.793 14.225 -1.093 1.00 62.12 C ATOM 1295 OG SER A 85 8.734 15.049 -0.426 1.00 54.03 O ATOM 0 H SER A 85 9.798 11.981 -1.630 1.00 22.30 H new ATOM 0 HA SER A 85 7.655 12.522 0.211 1.00 75.02 H new ATOM 0 HB2 SER A 85 7.857 14.391 -2.168 1.00 62.12 H new ATOM 0 HB3 SER A 85 6.783 14.500 -0.788 1.00 62.12 H new ATOM 0 HG SER A 85 8.556 15.989 -0.640 1.00 54.03 H new ATOM 1301 N LYS A 86 5.997 11.731 -1.607 1.00 44.40 N ATOM 1302 CA LYS A 86 5.177 10.925 -2.503 1.00 41.11 C ATOM 1303 C LYS A 86 4.422 11.808 -3.491 1.00 74.03 C ATOM 1304 O LYS A 86 3.621 12.655 -3.095 1.00 64.30 O ATOM 1305 CB LYS A 86 4.187 10.079 -1.699 1.00 65.10 C ATOM 1306 CG LYS A 86 4.813 8.846 -1.069 1.00 12.52 C ATOM 1307 CD LYS A 86 5.162 9.083 0.391 1.00 62.01 C ATOM 1308 CE LYS A 86 3.913 9.227 1.247 1.00 41.23 C ATOM 1309 NZ LYS A 86 3.916 10.498 2.023 1.00 51.35 N ATOM 0 H LYS A 86 5.482 12.163 -0.839 1.00 44.40 H new ATOM 0 HA LYS A 86 5.838 10.264 -3.064 1.00 41.11 H new ATOM 0 HB2 LYS A 86 3.749 10.695 -0.914 1.00 65.10 H new ATOM 0 HB3 LYS A 86 3.372 9.769 -2.353 1.00 65.10 H new ATOM 0 HG2 LYS A 86 4.123 8.006 -1.148 1.00 12.52 H new ATOM 0 HG3 LYS A 86 5.713 8.572 -1.619 1.00 12.52 H new ATOM 0 HD2 LYS A 86 5.764 8.253 0.761 1.00 62.01 H new ATOM 0 HD3 LYS A 86 5.770 9.983 0.479 1.00 62.01 H new ATOM 0 HE2 LYS A 86 3.030 9.193 0.609 1.00 41.23 H new ATOM 0 HE3 LYS A 86 3.844 8.383 1.933 1.00 41.23 H new ATOM 0 HZ1 LYS A 86 3.048 10.559 2.593 1.00 51.35 H new ATOM 0 HZ2 LYS A 86 4.745 10.520 2.650 1.00 51.35 H new ATOM 0 HZ3 LYS A 86 3.956 11.305 1.368 1.00 51.35 H new ATOM 1323 N MET A 87 4.680 11.603 -4.779 1.00 4.14 N ATOM 1324 CA MET A 87 4.022 12.379 -5.823 1.00 41.40 C ATOM 1325 C MET A 87 2.555 11.982 -5.952 1.00 50.44 C ATOM 1326 O MET A 87 1.689 12.832 -6.157 1.00 0.43 O ATOM 1327 CB MET A 87 4.736 12.182 -7.162 1.00 31.13 C ATOM 1328 CG MET A 87 4.520 13.325 -8.140 1.00 4.32 C ATOM 1329 SD MET A 87 3.721 12.793 -9.666 1.00 30.43 S ATOM 1330 CE MET A 87 2.964 14.324 -10.204 1.00 10.12 C ATOM 0 H MET A 87 5.340 10.906 -5.124 1.00 4.14 H new ATOM 0 HA MET A 87 4.072 13.432 -5.545 1.00 41.40 H new ATOM 0 HB2 MET A 87 5.805 12.067 -6.981 1.00 31.13 H new ATOM 0 HB3 MET A 87 4.388 11.255 -7.617 1.00 31.13 H new ATOM 0 HG2 MET A 87 3.911 14.094 -7.665 1.00 4.32 H new ATOM 0 HG3 MET A 87 5.481 13.781 -8.378 1.00 4.32 H new ATOM 0 HE1 MET A 87 2.430 14.157 -11.140 1.00 10.12 H new ATOM 0 HE2 MET A 87 2.264 14.671 -9.444 1.00 10.12 H new ATOM 0 HE3 MET A 87 3.736 15.078 -10.357 1.00 10.12 H new