USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 Single : A 6 THR OG1 : rot 107:sc= 0.418 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.553 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 27 SER OG : rot 79:sc= 0.996 USER MOD Single : A 29 CYS SG : rot 34:sc= -0.278 USER MOD Single : A 31 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -101:sc= -0.181 (180deg=-1.13) USER MOD Single : A 53 SER OG : rot -59:sc= -0.628 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 89:sc= 0.721 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 179:sc= 0.115 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -154:sc= -1.34 (180deg=-2.25) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -124:sc= 0.949 (180deg=-0.0219) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00543 USER MOD Single : A 91 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 93 LYS NZ :NH3+ 153:sc=-0.00473 (180deg=-0.0682) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 37:sc= 0.74 USER MOD Single : B 1 LYS NZ :NH3+ 169:sc= -0.0138 (180deg=-0.133) USER MOD Single : B -4 SER OG : rot -0:sc= 0.978 USER MOD Single : B -7 PHE N :NH3+ 156:sc= 0.479 (180deg=0.182) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 7.330 -3.964 -10.323 1.00 74.00 N ATOM 43 CA LEU A 2 8.750 -3.809 -10.616 1.00 42.51 C ATOM 44 C LEU A 2 9.417 -5.166 -10.813 1.00 63.01 C ATOM 45 O LEU A 2 9.056 -6.147 -10.163 1.00 23.12 O ATOM 46 CB LEU A 2 9.444 -3.046 -9.486 1.00 12.20 C ATOM 47 CG LEU A 2 10.059 -3.901 -8.378 1.00 31.22 C ATOM 48 CD1 LEU A 2 11.527 -4.174 -8.667 1.00 32.22 C ATOM 49 CD2 LEU A 2 9.897 -3.220 -7.027 1.00 21.24 C ATOM 0 HA LEU A 2 8.845 -3.241 -11.541 1.00 42.51 H new ATOM 0 HB2 LEU A 2 10.231 -2.429 -9.921 1.00 12.20 H new ATOM 0 HB3 LEU A 2 8.720 -2.368 -9.035 1.00 12.20 H new ATOM 0 HG LEU A 2 9.533 -4.855 -8.347 1.00 31.22 H new ATOM 0 HD11 LEU A 2 11.948 -4.784 -7.868 1.00 32.22 H new ATOM 0 HD12 LEU A 2 11.619 -4.704 -9.615 1.00 32.22 H new ATOM 0 HD13 LEU A 2 12.068 -3.230 -8.726 1.00 32.22 H new ATOM 0 HD21 LEU A 2 10.341 -3.843 -6.250 1.00 21.24 H new ATOM 0 HD22 LEU A 2 10.397 -2.252 -7.045 1.00 21.24 H new ATOM 0 HD23 LEU A 2 8.837 -3.077 -6.816 1.00 21.24 H new ATOM 61 N PHE A 3 10.394 -5.214 -11.713 1.00 20.51 N ATOM 62 CA PHE A 3 11.113 -6.451 -11.995 1.00 21.42 C ATOM 63 C PHE A 3 12.613 -6.269 -11.781 1.00 70.33 C ATOM 64 O PHE A 3 13.170 -5.214 -12.083 1.00 61.41 O ATOM 65 CB PHE A 3 10.843 -6.908 -13.430 1.00 15.21 C ATOM 66 CG PHE A 3 9.475 -7.499 -13.623 1.00 65.22 C ATOM 67 CD1 PHE A 3 8.339 -6.733 -13.418 1.00 44.13 C ATOM 68 CD2 PHE A 3 9.326 -8.821 -14.010 1.00 64.23 C ATOM 69 CE1 PHE A 3 7.080 -7.275 -13.595 1.00 4.13 C ATOM 70 CE2 PHE A 3 8.070 -9.369 -14.189 1.00 12.43 C ATOM 71 CZ PHE A 3 6.945 -8.594 -13.982 1.00 4.04 C ATOM 0 H PHE A 3 10.706 -4.411 -12.259 1.00 20.51 H new ATOM 0 HA PHE A 3 10.755 -7.215 -11.305 1.00 21.42 H new ATOM 0 HB2 PHE A 3 10.961 -6.058 -14.102 1.00 15.21 H new ATOM 0 HB3 PHE A 3 11.593 -7.646 -13.715 1.00 15.21 H new ATOM 0 HD1 PHE A 3 8.438 -5.701 -13.116 1.00 44.13 H new ATOM 0 HD2 PHE A 3 10.202 -9.431 -14.174 1.00 64.23 H new ATOM 0 HE1 PHE A 3 6.202 -6.668 -13.431 1.00 4.13 H new ATOM 0 HE2 PHE A 3 7.968 -10.401 -14.490 1.00 12.43 H new ATOM 0 HZ PHE A 3 5.962 -9.019 -14.123 1.00 4.04 H new ATOM 81 N ALA A 4 13.260 -7.306 -11.258 1.00 42.52 N ATOM 82 CA ALA A 4 14.695 -7.261 -11.005 1.00 70.42 C ATOM 83 C ALA A 4 15.416 -8.389 -11.736 1.00 42.33 C ATOM 84 O ALA A 4 14.848 -9.456 -11.966 1.00 62.44 O ATOM 85 CB ALA A 4 14.970 -7.338 -9.511 1.00 20.03 C ATOM 0 H ALA A 4 12.813 -8.186 -11.002 1.00 42.52 H new ATOM 0 HA ALA A 4 15.077 -6.313 -11.385 1.00 70.42 H new ATOM 0 HB1 ALA A 4 16.045 -7.303 -9.337 1.00 20.03 H new ATOM 0 HB2 ALA A 4 14.494 -6.495 -9.009 1.00 20.03 H new ATOM 0 HB3 ALA A 4 14.568 -8.270 -9.115 1.00 20.03 H new ATOM 91 N VAL A 5 16.671 -8.144 -12.100 1.00 62.20 N ATOM 92 CA VAL A 5 17.470 -9.139 -12.805 1.00 65.20 C ATOM 93 C VAL A 5 18.667 -9.576 -11.968 1.00 24.10 C ATOM 94 O VAL A 5 19.426 -8.745 -11.467 1.00 63.25 O ATOM 95 CB VAL A 5 17.973 -8.600 -14.157 1.00 41.33 C ATOM 96 CG1 VAL A 5 18.804 -7.342 -13.955 1.00 52.30 C ATOM 97 CG2 VAL A 5 18.774 -9.665 -14.891 1.00 53.00 C ATOM 0 H VAL A 5 17.156 -7.265 -11.918 1.00 62.20 H new ATOM 0 HA VAL A 5 16.822 -9.997 -12.983 1.00 65.20 H new ATOM 0 HB VAL A 5 17.109 -8.342 -14.769 1.00 41.33 H new ATOM 0 HG11 VAL A 5 19.151 -6.976 -14.921 1.00 52.30 H new ATOM 0 HG12 VAL A 5 18.195 -6.577 -13.474 1.00 52.30 H new ATOM 0 HG13 VAL A 5 19.663 -7.571 -13.324 1.00 52.30 H new ATOM 0 HG21 VAL A 5 19.121 -9.267 -15.844 1.00 53.00 H new ATOM 0 HG22 VAL A 5 19.632 -9.957 -14.285 1.00 53.00 H new ATOM 0 HG23 VAL A 5 18.143 -10.536 -15.070 1.00 53.00 H new ATOM 107 N THR A 6 18.832 -10.887 -11.819 1.00 50.14 N ATOM 108 CA THR A 6 19.936 -11.435 -11.042 1.00 63.44 C ATOM 109 C THR A 6 21.272 -11.186 -11.733 1.00 40.42 C ATOM 110 O THR A 6 21.417 -11.428 -12.932 1.00 44.42 O ATOM 111 CB THR A 6 19.765 -12.949 -10.813 1.00 51.14 C ATOM 112 OG1 THR A 6 18.775 -13.471 -11.707 1.00 43.32 O ATOM 113 CG2 THR A 6 19.359 -13.236 -9.376 1.00 31.13 C ATOM 0 H THR A 6 18.214 -11.589 -12.227 1.00 50.14 H new ATOM 0 HA THR A 6 19.927 -10.925 -10.079 1.00 63.44 H new ATOM 0 HB THR A 6 20.722 -13.434 -11.008 1.00 51.14 H new ATOM 0 HG1 THR A 6 19.213 -13.994 -12.411 1.00 43.32 H new ATOM 0 HG21 THR A 6 19.244 -14.311 -9.238 1.00 31.13 H new ATOM 0 HG22 THR A 6 20.128 -12.863 -8.699 1.00 31.13 H new ATOM 0 HG23 THR A 6 18.413 -12.739 -9.159 1.00 31.13 H new ATOM 121 N LEU A 7 22.246 -10.701 -10.970 1.00 54.25 N ATOM 122 CA LEU A 7 23.571 -10.419 -11.510 1.00 5.34 C ATOM 123 C LEU A 7 24.562 -11.511 -11.119 1.00 10.25 C ATOM 124 O LEU A 7 25.634 -11.632 -11.712 1.00 20.12 O ATOM 125 CB LEU A 7 24.068 -9.061 -11.010 1.00 44.02 C ATOM 126 CG LEU A 7 23.088 -7.895 -11.148 1.00 64.42 C ATOM 127 CD1 LEU A 7 23.388 -6.821 -10.115 1.00 1.23 C ATOM 128 CD2 LEU A 7 23.144 -7.316 -12.554 1.00 54.22 C ATOM 0 H LEU A 7 22.143 -10.495 -9.976 1.00 54.25 H new ATOM 0 HA LEU A 7 23.496 -10.394 -12.597 1.00 5.34 H new ATOM 0 HB2 LEU A 7 24.338 -9.160 -9.959 1.00 44.02 H new ATOM 0 HB3 LEU A 7 24.980 -8.809 -11.551 1.00 44.02 H new ATOM 0 HG LEU A 7 22.080 -8.269 -10.970 1.00 64.42 H new ATOM 0 HD11 LEU A 7 22.681 -5.999 -10.228 1.00 1.23 H new ATOM 0 HD12 LEU A 7 23.296 -7.243 -9.114 1.00 1.23 H new ATOM 0 HD13 LEU A 7 24.402 -6.449 -10.261 1.00 1.23 H new ATOM 0 HD21 LEU A 7 22.440 -6.487 -12.635 1.00 54.22 H new ATOM 0 HD22 LEU A 7 24.152 -6.957 -12.760 1.00 54.22 H new ATOM 0 HD23 LEU A 7 22.879 -8.088 -13.276 1.00 54.22 H new ATOM 140 N TYR A 8 24.195 -12.304 -10.118 1.00 61.35 N ATOM 141 CA TYR A 8 25.051 -13.387 -9.648 1.00 4.40 C ATOM 142 C TYR A 8 24.240 -14.655 -9.403 1.00 25.43 C ATOM 143 O TYR A 8 23.017 -14.608 -9.277 1.00 24.14 O ATOM 144 CB TYR A 8 25.773 -12.973 -8.364 1.00 52.02 C ATOM 145 CG TYR A 8 26.487 -11.645 -8.472 1.00 41.31 C ATOM 146 CD1 TYR A 8 25.804 -10.449 -8.282 1.00 64.33 C ATOM 147 CD2 TYR A 8 27.844 -11.585 -8.765 1.00 11.32 C ATOM 148 CE1 TYR A 8 26.453 -9.233 -8.381 1.00 34.35 C ATOM 149 CE2 TYR A 8 28.500 -10.373 -8.863 1.00 64.45 C ATOM 150 CZ TYR A 8 27.801 -9.201 -8.671 1.00 14.52 C ATOM 151 OH TYR A 8 28.451 -7.992 -8.770 1.00 13.33 O ATOM 0 H TYR A 8 23.311 -12.217 -9.617 1.00 61.35 H new ATOM 0 HA TYR A 8 25.790 -13.595 -10.422 1.00 4.40 H new ATOM 0 HB2 TYR A 8 25.049 -12.922 -7.551 1.00 52.02 H new ATOM 0 HB3 TYR A 8 26.496 -13.744 -8.099 1.00 52.02 H new ATOM 0 HD1 TYR A 8 24.749 -10.471 -8.053 1.00 64.33 H new ATOM 0 HD2 TYR A 8 28.395 -12.501 -8.919 1.00 11.32 H new ATOM 0 HE1 TYR A 8 25.908 -8.313 -8.232 1.00 34.35 H new ATOM 0 HE2 TYR A 8 29.556 -10.344 -9.089 1.00 64.45 H new ATOM 0 HH TYR A 8 28.018 -7.339 -8.182 1.00 13.33 H new ATOM 161 N GLU A 9 24.933 -15.789 -9.336 1.00 15.51 N ATOM 162 CA GLU A 9 24.277 -17.071 -9.106 1.00 1.31 C ATOM 163 C GLU A 9 24.114 -17.338 -7.612 1.00 55.14 C ATOM 164 O GLU A 9 25.096 -17.505 -6.889 1.00 13.11 O ATOM 165 CB GLU A 9 25.079 -18.202 -9.753 1.00 2.14 C ATOM 166 CG GLU A 9 24.527 -19.586 -9.456 1.00 23.11 C ATOM 167 CD GLU A 9 24.111 -20.330 -10.710 1.00 44.43 C ATOM 168 OE1 GLU A 9 24.803 -20.187 -11.741 1.00 11.25 O ATOM 169 OE2 GLU A 9 23.095 -21.053 -10.662 1.00 61.52 O ATOM 0 H GLU A 9 25.946 -15.845 -9.438 1.00 15.51 H new ATOM 0 HA GLU A 9 23.287 -17.031 -9.561 1.00 1.31 H new ATOM 0 HB2 GLU A 9 25.098 -18.051 -10.832 1.00 2.14 H new ATOM 0 HB3 GLU A 9 26.111 -18.149 -9.406 1.00 2.14 H new ATOM 0 HG2 GLU A 9 25.281 -20.168 -8.926 1.00 23.11 H new ATOM 0 HG3 GLU A 9 23.669 -19.495 -8.790 1.00 23.11 H new ATOM 176 N PHE A 10 22.865 -17.376 -7.157 1.00 65.25 N ATOM 177 CA PHE A 10 22.572 -17.621 -5.750 1.00 71.42 C ATOM 178 C PHE A 10 22.166 -19.075 -5.524 1.00 45.04 C ATOM 179 O PHE A 10 21.303 -19.607 -6.222 1.00 55.52 O ATOM 180 CB PHE A 10 21.458 -16.689 -5.270 1.00 0.12 C ATOM 181 CG PHE A 10 21.339 -16.618 -3.774 1.00 40.02 C ATOM 182 CD1 PHE A 10 22.403 -16.181 -3.001 1.00 73.23 C ATOM 183 CD2 PHE A 10 20.164 -16.989 -3.141 1.00 55.32 C ATOM 184 CE1 PHE A 10 22.296 -16.114 -1.625 1.00 25.43 C ATOM 185 CE2 PHE A 10 20.051 -16.924 -1.765 1.00 43.43 C ATOM 186 CZ PHE A 10 21.119 -16.487 -1.006 1.00 24.10 C ATOM 0 H PHE A 10 22.041 -17.240 -7.742 1.00 65.25 H new ATOM 0 HA PHE A 10 23.477 -17.421 -5.176 1.00 71.42 H new ATOM 0 HB2 PHE A 10 21.640 -15.688 -5.660 1.00 0.12 H new ATOM 0 HB3 PHE A 10 20.509 -17.026 -5.686 1.00 0.12 H new ATOM 0 HD1 PHE A 10 23.326 -15.890 -3.480 1.00 73.23 H new ATOM 0 HD2 PHE A 10 19.326 -17.333 -3.730 1.00 55.32 H new ATOM 0 HE1 PHE A 10 23.132 -15.770 -1.034 1.00 25.43 H new ATOM 0 HE2 PHE A 10 19.129 -17.215 -1.284 1.00 43.43 H new ATOM 0 HZ PHE A 10 21.034 -16.437 0.069 1.00 24.10 H new ATOM 196 N LYS A 11 22.797 -19.713 -4.544 1.00 61.35 N ATOM 197 CA LYS A 11 22.503 -21.105 -4.224 1.00 65.11 C ATOM 198 C LYS A 11 21.661 -21.206 -2.957 1.00 12.44 C ATOM 199 O LYS A 11 22.146 -20.948 -1.856 1.00 10.25 O ATOM 200 CB LYS A 11 23.803 -21.895 -4.049 1.00 53.24 C ATOM 201 CG LYS A 11 24.608 -22.032 -5.330 1.00 2.51 C ATOM 202 CD LYS A 11 26.102 -21.974 -5.058 1.00 30.32 C ATOM 203 CE LYS A 11 26.884 -22.804 -6.064 1.00 41.05 C ATOM 204 NZ LYS A 11 28.290 -22.331 -6.200 1.00 32.42 N ATOM 0 H LYS A 11 23.515 -19.288 -3.958 1.00 61.35 H new ATOM 0 HA LYS A 11 21.935 -21.530 -5.052 1.00 65.11 H new ATOM 0 HB2 LYS A 11 24.418 -21.405 -3.294 1.00 53.24 H new ATOM 0 HB3 LYS A 11 23.566 -22.889 -3.670 1.00 53.24 H new ATOM 0 HG2 LYS A 11 24.362 -22.976 -5.816 1.00 2.51 H new ATOM 0 HG3 LYS A 11 24.332 -21.236 -6.021 1.00 2.51 H new ATOM 0 HD2 LYS A 11 26.440 -20.939 -5.098 1.00 30.32 H new ATOM 0 HD3 LYS A 11 26.304 -22.337 -4.050 1.00 30.32 H new ATOM 0 HE2 LYS A 11 26.881 -23.849 -5.753 1.00 41.05 H new ATOM 0 HE3 LYS A 11 26.390 -22.758 -7.035 1.00 41.05 H new ATOM 0 HZ1 LYS A 11 28.790 -22.922 -6.895 1.00 32.42 H new ATOM 0 HZ2 LYS A 11 28.294 -21.342 -6.521 1.00 32.42 H new ATOM 0 HZ3 LYS A 11 28.769 -22.398 -5.280 1.00 32.42 H new ATOM 218 N ALA A 12 20.397 -21.583 -3.120 1.00 61.31 N ATOM 219 CA ALA A 12 19.489 -21.721 -1.989 1.00 33.24 C ATOM 220 C ALA A 12 19.967 -22.806 -1.030 1.00 31.33 C ATOM 221 O ALA A 12 20.752 -23.676 -1.405 1.00 71.31 O ATOM 222 CB ALA A 12 18.081 -22.029 -2.477 1.00 13.44 C ATOM 0 H ALA A 12 19.979 -21.798 -4.025 1.00 61.31 H new ATOM 0 HA ALA A 12 19.476 -20.775 -1.448 1.00 33.24 H new ATOM 0 HB1 ALA A 12 17.413 -22.130 -1.621 1.00 13.44 H new ATOM 0 HB2 ALA A 12 17.732 -21.218 -3.116 1.00 13.44 H new ATOM 0 HB3 ALA A 12 18.088 -22.960 -3.043 1.00 13.44 H new ATOM 228 N GLU A 13 19.489 -22.747 0.209 1.00 32.44 N ATOM 229 CA GLU A 13 19.870 -23.725 1.222 1.00 71.23 C ATOM 230 C GLU A 13 18.659 -24.532 1.682 1.00 41.10 C ATOM 231 O GLU A 13 18.789 -25.684 2.096 1.00 74.24 O ATOM 232 CB GLU A 13 20.516 -23.026 2.420 1.00 62.43 C ATOM 233 CG GLU A 13 19.633 -21.967 3.056 1.00 55.43 C ATOM 234 CD GLU A 13 20.062 -21.619 4.468 1.00 61.50 C ATOM 235 OE1 GLU A 13 21.040 -22.225 4.956 1.00 52.44 O ATOM 236 OE2 GLU A 13 19.421 -20.744 5.085 1.00 2.44 O ATOM 0 H GLU A 13 18.838 -22.033 0.535 1.00 32.44 H new ATOM 0 HA GLU A 13 20.593 -24.409 0.777 1.00 71.23 H new ATOM 0 HB2 GLU A 13 20.771 -23.773 3.171 1.00 62.43 H new ATOM 0 HB3 GLU A 13 21.450 -22.564 2.100 1.00 62.43 H new ATOM 0 HG2 GLU A 13 19.653 -21.066 2.442 1.00 55.43 H new ATOM 0 HG3 GLU A 13 18.602 -22.320 3.070 1.00 55.43 H new ATOM 243 N ARG A 14 17.483 -23.918 1.607 1.00 0.43 N ATOM 244 CA ARG A 14 16.249 -24.577 2.018 1.00 42.04 C ATOM 245 C ARG A 14 15.102 -24.217 1.078 1.00 61.53 C ATOM 246 O ARG A 14 15.303 -23.545 0.066 1.00 72.52 O ATOM 247 CB ARG A 14 15.889 -24.185 3.452 1.00 62.41 C ATOM 248 CG ARG A 14 17.021 -24.399 4.444 1.00 72.31 C ATOM 249 CD ARG A 14 17.223 -25.875 4.749 1.00 74.30 C ATOM 250 NE ARG A 14 16.190 -26.396 5.641 1.00 2.12 N ATOM 251 CZ ARG A 14 16.082 -27.678 5.971 1.00 23.21 C ATOM 252 NH1 ARG A 14 16.939 -28.565 5.485 1.00 23.53 N ATOM 253 NH2 ARG A 14 15.116 -28.075 6.789 1.00 53.00 N ATOM 0 H ARG A 14 17.359 -22.965 1.265 1.00 0.43 H new ATOM 0 HA ARG A 14 16.409 -25.654 1.973 1.00 42.04 H new ATOM 0 HB2 ARG A 14 15.595 -23.136 3.470 1.00 62.41 H new ATOM 0 HB3 ARG A 14 15.023 -24.764 3.772 1.00 62.41 H new ATOM 0 HG2 ARG A 14 17.943 -23.980 4.041 1.00 72.31 H new ATOM 0 HG3 ARG A 14 16.804 -23.862 5.367 1.00 72.31 H new ATOM 0 HD2 ARG A 14 17.217 -26.442 3.818 1.00 74.30 H new ATOM 0 HD3 ARG A 14 18.202 -26.020 5.205 1.00 74.30 H new ATOM 0 HE ARG A 14 15.515 -25.739 6.032 1.00 2.12 H new ATOM 0 HH11 ARG A 14 17.683 -28.263 4.856 1.00 23.53 H new ATOM 0 HH12 ARG A 14 16.854 -29.549 5.740 1.00 23.53 H new ATOM 0 HH21 ARG A 14 14.455 -27.395 7.165 1.00 53.00 H new ATOM 0 HH22 ARG A 14 15.034 -29.060 7.042 1.00 53.00 H new ATOM 267 N ASP A 15 13.901 -24.670 1.419 1.00 13.10 N ATOM 268 CA ASP A 15 12.721 -24.396 0.606 1.00 2.14 C ATOM 269 C ASP A 15 12.411 -22.902 0.586 1.00 73.43 C ATOM 270 O ASP A 15 12.023 -22.353 -0.446 1.00 23.12 O ATOM 271 CB ASP A 15 11.516 -25.173 1.140 1.00 44.42 C ATOM 272 CG ASP A 15 11.793 -26.658 1.261 1.00 72.34 C ATOM 273 OD1 ASP A 15 12.832 -27.112 0.739 1.00 62.44 O ATOM 274 OD2 ASP A 15 10.969 -27.367 1.876 1.00 22.34 O ATOM 0 H ASP A 15 13.718 -25.229 2.253 1.00 13.10 H new ATOM 0 HA ASP A 15 12.929 -24.720 -0.414 1.00 2.14 H new ATOM 0 HB2 ASP A 15 11.236 -24.778 2.116 1.00 44.42 H new ATOM 0 HB3 ASP A 15 10.665 -25.018 0.477 1.00 44.42 H new ATOM 279 N ASP A 16 12.582 -22.252 1.731 1.00 2.11 N ATOM 280 CA ASP A 16 12.320 -20.822 1.845 1.00 43.21 C ATOM 281 C ASP A 16 13.255 -20.025 0.941 1.00 43.52 C ATOM 282 O ASP A 16 12.992 -18.863 0.631 1.00 64.12 O ATOM 283 CB ASP A 16 12.482 -20.366 3.296 1.00 41.22 C ATOM 284 CG ASP A 16 13.736 -20.923 3.941 1.00 35.04 C ATOM 285 OD1 ASP A 16 14.812 -20.312 3.773 1.00 71.21 O ATOM 286 OD2 ASP A 16 13.640 -21.969 4.616 1.00 70.40 O ATOM 0 H ASP A 16 12.901 -22.692 2.594 1.00 2.11 H new ATOM 0 HA ASP A 16 11.293 -20.639 1.528 1.00 43.21 H new ATOM 0 HB2 ASP A 16 12.512 -19.277 3.330 1.00 41.22 H new ATOM 0 HB3 ASP A 16 11.611 -20.679 3.872 1.00 41.22 H new ATOM 291 N GLU A 17 14.347 -20.657 0.523 1.00 45.33 N ATOM 292 CA GLU A 17 15.322 -20.005 -0.344 1.00 40.41 C ATOM 293 C GLU A 17 15.294 -20.608 -1.745 1.00 73.33 C ATOM 294 O GLU A 17 15.164 -21.822 -1.908 1.00 73.32 O ATOM 295 CB GLU A 17 16.728 -20.128 0.248 1.00 35.11 C ATOM 296 CG GLU A 17 17.627 -18.945 -0.068 1.00 64.44 C ATOM 297 CD GLU A 17 17.777 -17.996 1.104 1.00 10.15 C ATOM 298 OE1 GLU A 17 16.917 -18.032 2.009 1.00 12.33 O ATOM 299 OE2 GLU A 17 18.753 -17.218 1.118 1.00 42.54 O ATOM 0 H GLU A 17 14.579 -21.619 0.770 1.00 45.33 H new ATOM 0 HA GLU A 17 15.057 -18.950 -0.416 1.00 40.41 H new ATOM 0 HB2 GLU A 17 16.649 -20.235 1.330 1.00 35.11 H new ATOM 0 HB3 GLU A 17 17.194 -21.038 -0.129 1.00 35.11 H new ATOM 0 HG2 GLU A 17 18.611 -19.310 -0.363 1.00 64.44 H new ATOM 0 HG3 GLU A 17 17.220 -18.402 -0.921 1.00 64.44 H new ATOM 306 N LEU A 18 15.416 -19.753 -2.754 1.00 54.41 N ATOM 307 CA LEU A 18 15.404 -20.200 -4.143 1.00 13.05 C ATOM 308 C LEU A 18 16.754 -19.949 -4.807 1.00 74.30 C ATOM 309 O LEU A 18 17.495 -19.051 -4.409 1.00 43.11 O ATOM 310 CB LEU A 18 14.299 -19.483 -4.920 1.00 74.44 C ATOM 311 CG LEU A 18 13.900 -20.114 -6.255 1.00 72.20 C ATOM 312 CD1 LEU A 18 12.783 -21.127 -6.054 1.00 42.13 C ATOM 313 CD2 LEU A 18 13.477 -19.041 -7.247 1.00 52.41 C ATOM 0 H LEU A 18 15.524 -18.746 -2.637 1.00 54.41 H new ATOM 0 HA LEU A 18 15.209 -21.272 -4.153 1.00 13.05 H new ATOM 0 HB2 LEU A 18 13.413 -19.429 -4.287 1.00 74.44 H new ATOM 0 HB3 LEU A 18 14.620 -18.458 -5.107 1.00 74.44 H new ATOM 0 HG LEU A 18 14.767 -20.635 -6.662 1.00 72.20 H new ATOM 0 HD11 LEU A 18 12.512 -21.566 -7.014 1.00 42.13 H new ATOM 0 HD12 LEU A 18 13.122 -21.913 -5.379 1.00 42.13 H new ATOM 0 HD13 LEU A 18 11.914 -20.629 -5.624 1.00 42.13 H new ATOM 0 HD21 LEU A 18 13.197 -19.508 -8.191 1.00 52.41 H new ATOM 0 HD22 LEU A 18 12.625 -18.491 -6.847 1.00 52.41 H new ATOM 0 HD23 LEU A 18 14.306 -18.353 -7.415 1.00 52.41 H new ATOM 325 N ASP A 19 17.065 -20.748 -5.822 1.00 54.32 N ATOM 326 CA ASP A 19 18.324 -20.611 -6.545 1.00 11.43 C ATOM 327 C ASP A 19 18.130 -19.806 -7.826 1.00 62.34 C ATOM 328 O ASP A 19 17.269 -20.124 -8.647 1.00 0.21 O ATOM 329 CB ASP A 19 18.900 -21.989 -6.875 1.00 12.53 C ATOM 330 CG ASP A 19 19.961 -21.929 -7.956 1.00 10.31 C ATOM 331 OD1 ASP A 19 19.592 -21.824 -9.144 1.00 34.10 O ATOM 332 OD2 ASP A 19 21.161 -21.987 -7.614 1.00 31.31 O ATOM 0 H ASP A 19 16.463 -21.497 -6.163 1.00 54.32 H new ATOM 0 HA ASP A 19 19.026 -20.077 -5.905 1.00 11.43 H new ATOM 0 HB2 ASP A 19 19.329 -22.426 -5.973 1.00 12.53 H new ATOM 0 HB3 ASP A 19 18.094 -22.649 -7.197 1.00 12.53 H new ATOM 337 N VAL A 20 18.936 -18.762 -7.992 1.00 23.35 N ATOM 338 CA VAL A 20 18.854 -17.912 -9.173 1.00 72.01 C ATOM 339 C VAL A 20 20.206 -17.804 -9.868 1.00 64.31 C ATOM 340 O VAL A 20 21.249 -18.052 -9.262 1.00 72.21 O ATOM 341 CB VAL A 20 18.360 -16.498 -8.814 1.00 35.22 C ATOM 342 CG1 VAL A 20 16.840 -16.439 -8.846 1.00 71.34 C ATOM 343 CG2 VAL A 20 18.888 -16.080 -7.450 1.00 44.12 C ATOM 0 H VAL A 20 19.654 -18.485 -7.322 1.00 23.35 H new ATOM 0 HA VAL A 20 18.138 -18.379 -9.849 1.00 72.01 H new ATOM 0 HB VAL A 20 18.743 -15.799 -9.557 1.00 35.22 H new ATOM 0 HG11 VAL A 20 16.509 -15.432 -8.590 1.00 71.34 H new ATOM 0 HG12 VAL A 20 16.487 -16.693 -9.845 1.00 71.34 H new ATOM 0 HG13 VAL A 20 16.433 -17.149 -8.126 1.00 71.34 H new ATOM 0 HG21 VAL A 20 18.529 -15.079 -7.212 1.00 44.12 H new ATOM 0 HG22 VAL A 20 18.536 -16.781 -6.693 1.00 44.12 H new ATOM 0 HG23 VAL A 20 19.978 -16.081 -7.466 1.00 44.12 H new ATOM 353 N SER A 21 20.182 -17.432 -11.144 1.00 20.31 N ATOM 354 CA SER A 21 21.407 -17.295 -11.924 1.00 14.45 C ATOM 355 C SER A 21 21.512 -15.897 -12.527 1.00 22.30 C ATOM 356 O SER A 21 20.522 -15.180 -12.672 1.00 45.44 O ATOM 357 CB SER A 21 21.451 -18.346 -13.034 1.00 33.54 C ATOM 358 OG SER A 21 21.978 -19.572 -12.555 1.00 10.54 O ATOM 0 H SER A 21 19.328 -17.220 -11.660 1.00 20.31 H new ATOM 0 HA SER A 21 22.254 -17.449 -11.255 1.00 14.45 H new ATOM 0 HB2 SER A 21 20.447 -18.507 -13.427 1.00 33.54 H new ATOM 0 HB3 SER A 21 22.062 -17.982 -13.860 1.00 33.54 H new ATOM 0 HG SER A 21 21.995 -20.228 -13.283 1.00 10.54 H new ATOM 364 N PRO A 22 22.742 -15.501 -12.887 1.00 51.32 N ATOM 365 CA PRO A 22 23.008 -14.187 -13.481 1.00 73.22 C ATOM 366 C PRO A 22 22.448 -14.066 -14.895 1.00 21.24 C ATOM 367 O PRO A 22 22.843 -14.806 -15.795 1.00 5.24 O ATOM 368 CB PRO A 22 24.536 -14.110 -13.503 1.00 23.41 C ATOM 369 CG PRO A 22 24.986 -15.530 -13.532 1.00 65.24 C ATOM 370 CD PRO A 22 23.967 -16.304 -12.743 1.00 24.32 C ATOM 0 HA PRO A 22 22.535 -13.382 -12.918 1.00 73.22 H new ATOM 0 HB2 PRO A 22 24.892 -13.564 -14.376 1.00 23.41 H new ATOM 0 HB3 PRO A 22 24.919 -13.591 -12.624 1.00 23.41 H new ATOM 0 HG2 PRO A 22 25.049 -15.899 -14.556 1.00 65.24 H new ATOM 0 HG3 PRO A 22 25.979 -15.634 -13.095 1.00 65.24 H new ATOM 0 HD2 PRO A 22 23.835 -17.312 -13.136 1.00 24.32 H new ATOM 0 HD3 PRO A 22 24.260 -16.406 -11.698 1.00 24.32 H new ATOM 378 N GLY A 23 21.525 -13.128 -15.083 1.00 2.54 N ATOM 379 CA GLY A 23 20.927 -12.927 -16.389 1.00 52.14 C ATOM 380 C GLY A 23 19.482 -13.383 -16.442 1.00 1.34 C ATOM 381 O GLY A 23 18.828 -13.275 -17.478 1.00 63.25 O ATOM 0 H GLY A 23 21.181 -12.504 -14.354 1.00 2.54 H new ATOM 0 HA2 GLY A 23 20.981 -11.870 -16.651 1.00 52.14 H new ATOM 0 HA3 GLY A 23 21.504 -13.471 -17.137 1.00 52.14 H new ATOM 385 N GLU A 24 18.984 -13.894 -15.320 1.00 74.44 N ATOM 386 CA GLU A 24 17.607 -14.370 -15.245 1.00 24.54 C ATOM 387 C GLU A 24 16.664 -13.244 -14.833 1.00 11.02 C ATOM 388 O GLU A 24 17.060 -12.314 -14.132 1.00 12.05 O ATOM 389 CB GLU A 24 17.499 -15.530 -14.252 1.00 3.32 C ATOM 390 CG GLU A 24 17.886 -16.875 -14.842 1.00 64.04 C ATOM 391 CD GLU A 24 19.210 -16.829 -15.581 1.00 11.20 C ATOM 392 OE1 GLU A 24 20.227 -16.470 -14.952 1.00 5.02 O ATOM 393 OE2 GLU A 24 19.228 -17.151 -16.787 1.00 45.22 O ATOM 0 H GLU A 24 19.512 -13.989 -14.452 1.00 74.44 H new ATOM 0 HA GLU A 24 17.316 -14.720 -16.235 1.00 24.54 H new ATOM 0 HB2 GLU A 24 18.137 -15.322 -13.393 1.00 3.32 H new ATOM 0 HB3 GLU A 24 16.475 -15.586 -13.882 1.00 3.32 H new ATOM 0 HG2 GLU A 24 17.946 -17.614 -14.043 1.00 64.04 H new ATOM 0 HG3 GLU A 24 17.104 -17.206 -15.525 1.00 64.04 H new ATOM 400 N ASN A 25 15.414 -13.336 -15.275 1.00 51.41 N ATOM 401 CA ASN A 25 14.414 -12.324 -14.954 1.00 35.10 C ATOM 402 C ASN A 25 13.571 -12.753 -13.757 1.00 33.41 C ATOM 403 O ASN A 25 12.801 -13.712 -13.837 1.00 51.32 O ATOM 404 CB ASN A 25 13.510 -12.068 -16.162 1.00 65.43 C ATOM 405 CG ASN A 25 14.283 -11.558 -17.363 1.00 53.34 C ATOM 406 OD1 ASN A 25 14.952 -12.324 -18.057 1.00 11.13 O ATOM 407 ND2 ASN A 25 14.193 -10.257 -17.615 1.00 10.23 N ATOM 0 H ASN A 25 15.070 -14.100 -15.856 1.00 51.41 H new ATOM 0 HA ASN A 25 14.936 -11.402 -14.697 1.00 35.10 H new ATOM 0 HB2 ASN A 25 12.995 -12.991 -16.429 1.00 65.43 H new ATOM 0 HB3 ASN A 25 12.743 -11.342 -15.892 1.00 65.43 H new ATOM 0 HD21 ASN A 25 14.690 -9.856 -18.410 1.00 10.23 H new ATOM 0 HD22 ASN A 25 13.627 -9.659 -17.013 1.00 10.23 H new ATOM 414 N LEU A 26 13.721 -12.038 -12.648 1.00 11.13 N ATOM 415 CA LEU A 26 12.973 -12.344 -11.433 1.00 2.41 C ATOM 416 C LEU A 26 11.970 -11.238 -11.118 1.00 64.21 C ATOM 417 O LEU A 26 12.255 -10.056 -11.309 1.00 15.22 O ATOM 418 CB LEU A 26 13.931 -12.530 -10.255 1.00 33.14 C ATOM 419 CG LEU A 26 14.817 -13.775 -10.301 1.00 4.13 C ATOM 420 CD1 LEU A 26 13.985 -15.013 -10.595 1.00 54.13 C ATOM 421 CD2 LEU A 26 15.916 -13.609 -11.341 1.00 11.03 C ATOM 0 H LEU A 26 14.354 -11.242 -12.564 1.00 11.13 H new ATOM 0 HA LEU A 26 12.424 -13.271 -11.597 1.00 2.41 H new ATOM 0 HB2 LEU A 26 14.575 -11.652 -10.194 1.00 33.14 H new ATOM 0 HB3 LEU A 26 13.344 -12.560 -9.337 1.00 33.14 H new ATOM 0 HG LEU A 26 15.284 -13.901 -9.324 1.00 4.13 H new ATOM 0 HD11 LEU A 26 14.633 -15.889 -10.624 1.00 54.13 H new ATOM 0 HD12 LEU A 26 13.236 -15.142 -9.814 1.00 54.13 H new ATOM 0 HD13 LEU A 26 13.489 -14.897 -11.558 1.00 54.13 H new ATOM 0 HD21 LEU A 26 16.537 -14.505 -11.360 1.00 11.03 H new ATOM 0 HD22 LEU A 26 15.468 -13.457 -12.323 1.00 11.03 H new ATOM 0 HD23 LEU A 26 16.531 -12.746 -11.086 1.00 11.03 H new ATOM 433 N SER A 27 10.797 -11.631 -10.633 1.00 60.40 N ATOM 434 CA SER A 27 9.751 -10.674 -10.293 1.00 30.12 C ATOM 435 C SER A 27 9.791 -10.331 -8.807 1.00 3.32 C ATOM 436 O SER A 27 9.509 -11.175 -7.956 1.00 1.32 O ATOM 437 CB SER A 27 8.377 -11.236 -10.661 1.00 35.32 C ATOM 438 OG SER A 27 7.515 -10.212 -11.127 1.00 60.44 O ATOM 0 H SER A 27 10.547 -12.606 -10.467 1.00 60.40 H new ATOM 0 HA SER A 27 9.928 -9.762 -10.864 1.00 30.12 H new ATOM 0 HB2 SER A 27 8.487 -12.001 -11.430 1.00 35.32 H new ATOM 0 HB3 SER A 27 7.934 -11.721 -9.791 1.00 35.32 H new ATOM 0 HG SER A 27 7.728 -10.005 -12.061 1.00 60.44 H new ATOM 444 N ILE A 28 10.144 -9.086 -8.503 1.00 62.22 N ATOM 445 CA ILE A 28 10.221 -8.630 -7.121 1.00 33.11 C ATOM 446 C ILE A 28 8.839 -8.595 -6.476 1.00 42.24 C ATOM 447 O ILE A 28 7.844 -8.286 -7.133 1.00 62.14 O ATOM 448 CB ILE A 28 10.856 -7.230 -7.024 1.00 71.42 C ATOM 449 CG1 ILE A 28 12.295 -7.263 -7.543 1.00 10.51 C ATOM 450 CG2 ILE A 28 10.816 -6.728 -5.589 1.00 34.54 C ATOM 451 CD1 ILE A 28 13.239 -8.047 -6.659 1.00 35.33 C ATOM 0 H ILE A 28 10.381 -8.376 -9.195 1.00 62.22 H new ATOM 0 HA ILE A 28 10.850 -9.343 -6.588 1.00 33.11 H new ATOM 0 HB ILE A 28 10.281 -6.542 -7.644 1.00 71.42 H new ATOM 0 HG12 ILE A 28 12.302 -7.697 -8.543 1.00 10.51 H new ATOM 0 HG13 ILE A 28 12.662 -6.241 -7.636 1.00 10.51 H new ATOM 0 HG21 ILE A 28 11.268 -5.738 -5.537 1.00 34.54 H new ATOM 0 HG22 ILE A 28 9.781 -6.672 -5.252 1.00 34.54 H new ATOM 0 HG23 ILE A 28 11.370 -7.414 -4.948 1.00 34.54 H new ATOM 0 HD11 ILE A 28 14.241 -8.027 -7.089 1.00 35.33 H new ATOM 0 HD12 ILE A 28 13.262 -7.601 -5.665 1.00 35.33 H new ATOM 0 HD13 ILE A 28 12.896 -9.079 -6.585 1.00 35.33 H new ATOM 463 N CYS A 29 8.786 -8.911 -5.187 1.00 53.14 N ATOM 464 CA CYS A 29 7.526 -8.914 -4.453 1.00 34.44 C ATOM 465 C CYS A 29 7.592 -7.973 -3.255 1.00 1.33 C ATOM 466 O CYS A 29 6.644 -7.239 -2.976 1.00 21.21 O ATOM 467 CB CYS A 29 7.188 -10.331 -3.985 1.00 52.21 C ATOM 468 SG CYS A 29 7.198 -11.566 -5.305 1.00 62.14 S ATOM 0 H CYS A 29 9.600 -9.168 -4.629 1.00 53.14 H new ATOM 0 HA CYS A 29 6.742 -8.564 -5.125 1.00 34.44 H new ATOM 0 HB2 CYS A 29 7.903 -10.629 -3.218 1.00 52.21 H new ATOM 0 HB3 CYS A 29 6.203 -10.323 -3.517 1.00 52.21 H new ATOM 0 HG CYS A 29 8.105 -11.255 -6.183 1.00 62.14 H new ATOM 474 N ALA A 30 8.718 -8.000 -2.549 1.00 32.11 N ATOM 475 CA ALA A 30 8.908 -7.149 -1.381 1.00 41.21 C ATOM 476 C ALA A 30 10.345 -7.222 -0.876 1.00 62.54 C ATOM 477 O ALA A 30 11.122 -8.076 -1.306 1.00 51.14 O ATOM 478 CB ALA A 30 7.938 -7.543 -0.277 1.00 41.21 C ATOM 0 H ALA A 30 9.512 -8.602 -2.766 1.00 32.11 H new ATOM 0 HA ALA A 30 8.706 -6.119 -1.676 1.00 41.21 H new ATOM 0 HB1 ALA A 30 8.091 -6.899 0.589 1.00 41.21 H new ATOM 0 HB2 ALA A 30 6.915 -7.432 -0.635 1.00 41.21 H new ATOM 0 HB3 ALA A 30 8.112 -8.581 0.007 1.00 41.21 H new ATOM 484 N HIS A 31 10.693 -6.322 0.038 1.00 65.43 N ATOM 485 CA HIS A 31 12.038 -6.286 0.601 1.00 4.20 C ATOM 486 C HIS A 31 12.001 -6.503 2.111 1.00 63.13 C ATOM 487 O HIS A 31 10.930 -6.648 2.701 1.00 64.32 O ATOM 488 CB HIS A 31 12.711 -4.950 0.283 1.00 62.23 C ATOM 489 CG HIS A 31 12.239 -3.821 1.145 1.00 13.25 C ATOM 490 ND1 HIS A 31 13.086 -3.070 1.933 1.00 33.00 N ATOM 491 CD2 HIS A 31 10.999 -3.315 1.340 1.00 14.45 C ATOM 492 CE1 HIS A 31 12.387 -2.152 2.576 1.00 11.04 C ATOM 493 NE2 HIS A 31 11.118 -2.279 2.234 1.00 54.40 N ATOM 0 H HIS A 31 10.063 -5.608 0.404 1.00 65.43 H new ATOM 0 HA HIS A 31 12.616 -7.092 0.150 1.00 4.20 H new ATOM 0 HB2 HIS A 31 13.789 -5.059 0.400 1.00 62.23 H new ATOM 0 HB3 HIS A 31 12.527 -4.700 -0.762 1.00 62.23 H new ATOM 0 HD2 HIS A 31 10.086 -3.661 0.879 1.00 14.45 H new ATOM 0 HE1 HIS A 31 12.786 -1.422 3.264 1.00 11.04 H new ATOM 0 HE2 HIS A 31 10.351 -1.702 2.578 1.00 54.40 H new ATOM 501 N TYR A 32 13.177 -6.525 2.729 1.00 35.13 N ATOM 502 CA TYR A 32 13.278 -6.728 4.170 1.00 65.14 C ATOM 503 C TYR A 32 14.487 -5.991 4.739 1.00 14.14 C ATOM 504 O TYR A 32 15.628 -6.414 4.559 1.00 64.44 O ATOM 505 CB TYR A 32 13.380 -8.220 4.490 1.00 60.44 C ATOM 506 CG TYR A 32 13.166 -8.542 5.951 1.00 32.23 C ATOM 507 CD1 TYR A 32 11.915 -8.397 6.538 1.00 33.25 C ATOM 508 CD2 TYR A 32 14.214 -8.990 6.745 1.00 20.15 C ATOM 509 CE1 TYR A 32 11.714 -8.689 7.874 1.00 62.32 C ATOM 510 CE2 TYR A 32 14.022 -9.286 8.081 1.00 4.01 C ATOM 511 CZ TYR A 32 12.771 -9.134 8.641 1.00 50.23 C ATOM 512 OH TYR A 32 12.576 -9.426 9.971 1.00 23.12 O ATOM 0 H TYR A 32 14.072 -6.405 2.256 1.00 35.13 H new ATOM 0 HA TYR A 32 12.377 -6.325 4.633 1.00 65.14 H new ATOM 0 HB2 TYR A 32 12.644 -8.762 3.896 1.00 60.44 H new ATOM 0 HB3 TYR A 32 14.363 -8.582 4.187 1.00 60.44 H new ATOM 0 HD1 TYR A 32 11.085 -8.050 5.940 1.00 33.25 H new ATOM 0 HD2 TYR A 32 15.196 -9.109 6.311 1.00 20.15 H new ATOM 0 HE1 TYR A 32 10.735 -8.570 8.315 1.00 62.32 H new ATOM 0 HE2 TYR A 32 14.848 -9.635 8.684 1.00 4.01 H new ATOM 0 HH TYR A 32 13.420 -9.727 10.367 1.00 23.12 H new ATOM 522 N ASP A 33 14.226 -4.886 5.429 1.00 14.10 N ATOM 523 CA ASP A 33 15.290 -4.089 6.028 1.00 61.20 C ATOM 524 C ASP A 33 16.302 -3.653 4.973 1.00 72.02 C ATOM 525 O ASP A 33 17.451 -3.345 5.290 1.00 51.11 O ATOM 526 CB ASP A 33 15.994 -4.884 7.129 1.00 35.20 C ATOM 527 CG ASP A 33 15.325 -4.719 8.480 1.00 41.23 C ATOM 528 OD1 ASP A 33 14.082 -4.817 8.543 1.00 55.13 O ATOM 529 OD2 ASP A 33 16.046 -4.492 9.474 1.00 74.31 O ATOM 0 H ASP A 33 13.286 -4.522 5.587 1.00 14.10 H new ATOM 0 HA ASP A 33 14.840 -3.198 6.465 1.00 61.20 H new ATOM 0 HB2 ASP A 33 16.006 -5.940 6.859 1.00 35.20 H new ATOM 0 HB3 ASP A 33 17.033 -4.561 7.199 1.00 35.20 H new ATOM 534 N TYR A 34 15.867 -3.630 3.718 1.00 63.42 N ATOM 535 CA TYR A 34 16.736 -3.236 2.615 1.00 11.42 C ATOM 536 C TYR A 34 17.974 -4.125 2.552 1.00 51.04 C ATOM 537 O TYR A 34 19.002 -3.736 1.999 1.00 23.22 O ATOM 538 CB TYR A 34 17.153 -1.772 2.766 1.00 40.20 C ATOM 539 CG TYR A 34 16.003 -0.845 3.090 1.00 42.34 C ATOM 540 CD1 TYR A 34 15.583 -0.658 4.401 1.00 43.13 C ATOM 541 CD2 TYR A 34 15.337 -0.155 2.084 1.00 44.21 C ATOM 542 CE1 TYR A 34 14.533 0.188 4.701 1.00 72.54 C ATOM 543 CE2 TYR A 34 14.287 0.694 2.375 1.00 72.13 C ATOM 544 CZ TYR A 34 13.888 0.861 3.684 1.00 11.34 C ATOM 545 OH TYR A 34 12.842 1.705 3.979 1.00 10.43 O ATOM 0 H TYR A 34 14.918 -3.879 3.439 1.00 63.42 H new ATOM 0 HA TYR A 34 16.178 -3.355 1.686 1.00 11.42 H new ATOM 0 HB2 TYR A 34 17.903 -1.696 3.553 1.00 40.20 H new ATOM 0 HB3 TYR A 34 17.626 -1.441 1.842 1.00 40.20 H new ATOM 0 HD1 TYR A 34 16.086 -1.183 5.199 1.00 43.13 H new ATOM 0 HD2 TYR A 34 15.646 -0.285 1.057 1.00 44.21 H new ATOM 0 HE1 TYR A 34 14.219 0.322 5.726 1.00 72.54 H new ATOM 0 HE2 TYR A 34 13.781 1.224 1.581 1.00 72.13 H new ATOM 0 HH TYR A 34 12.498 2.102 3.151 1.00 10.43 H new ATOM 555 N GLU A 35 17.865 -5.321 3.121 1.00 20.31 N ATOM 556 CA GLU A 35 18.975 -6.266 3.129 1.00 24.45 C ATOM 557 C GLU A 35 18.585 -7.571 2.441 1.00 52.25 C ATOM 558 O GLU A 35 19.416 -8.460 2.255 1.00 51.34 O ATOM 559 CB GLU A 35 19.423 -6.549 4.565 1.00 34.22 C ATOM 560 CG GLU A 35 18.281 -6.558 5.568 1.00 70.23 C ATOM 561 CD GLU A 35 18.755 -6.792 6.989 1.00 14.32 C ATOM 562 OE1 GLU A 35 18.899 -7.968 7.381 1.00 24.41 O ATOM 563 OE2 GLU A 35 18.981 -5.797 7.709 1.00 13.25 O ATOM 0 H GLU A 35 17.020 -5.658 3.582 1.00 20.31 H new ATOM 0 HA GLU A 35 19.802 -5.818 2.579 1.00 24.45 H new ATOM 0 HB2 GLU A 35 19.930 -7.514 4.595 1.00 34.22 H new ATOM 0 HB3 GLU A 35 20.152 -5.796 4.864 1.00 34.22 H new ATOM 0 HG2 GLU A 35 17.751 -5.607 5.518 1.00 70.23 H new ATOM 0 HG3 GLU A 35 17.568 -7.335 5.294 1.00 70.23 H new ATOM 570 N TRP A 36 17.315 -7.677 2.065 1.00 24.32 N ATOM 571 CA TRP A 36 16.814 -8.873 1.397 1.00 32.04 C ATOM 572 C TRP A 36 15.627 -8.538 0.500 1.00 23.23 C ATOM 573 O TRP A 36 14.967 -7.515 0.683 1.00 5.03 O ATOM 574 CB TRP A 36 16.407 -9.926 2.430 1.00 65.15 C ATOM 575 CG TRP A 36 17.560 -10.443 3.236 1.00 1.12 C ATOM 576 CD1 TRP A 36 17.888 -10.093 4.515 1.00 53.10 C ATOM 577 CD2 TRP A 36 18.538 -11.401 2.817 1.00 30.03 C ATOM 578 NE1 TRP A 36 19.011 -10.776 4.916 1.00 14.12 N ATOM 579 CE2 TRP A 36 19.428 -11.585 3.893 1.00 22.43 C ATOM 580 CE3 TRP A 36 18.747 -12.123 1.639 1.00 1.30 C ATOM 581 CZ2 TRP A 36 20.509 -12.460 3.823 1.00 22.11 C ATOM 582 CZ3 TRP A 36 19.821 -12.990 1.571 1.00 74.11 C ATOM 583 CH2 TRP A 36 20.690 -13.154 2.657 1.00 2.44 C ATOM 0 H TRP A 36 16.614 -6.950 2.211 1.00 24.32 H new ATOM 0 HA TRP A 36 17.614 -9.274 0.775 1.00 32.04 H new ATOM 0 HB2 TRP A 36 15.666 -9.496 3.104 1.00 65.15 H new ATOM 0 HB3 TRP A 36 15.927 -10.760 1.918 1.00 65.15 H new ATOM 0 HD1 TRP A 36 17.345 -9.384 5.122 1.00 53.10 H new ATOM 0 HE1 TRP A 36 19.461 -10.694 5.828 1.00 14.12 H new ATOM 0 HE3 TRP A 36 18.081 -12.006 0.797 1.00 1.30 H new ATOM 0 HZ2 TRP A 36 21.181 -12.587 4.659 1.00 22.11 H new ATOM 0 HZ3 TRP A 36 19.993 -13.551 0.664 1.00 74.11 H new ATOM 0 HH2 TRP A 36 21.519 -13.841 2.573 1.00 2.44 H new ATOM 594 N PHE A 37 15.361 -9.407 -0.470 1.00 13.44 N ATOM 595 CA PHE A 37 14.253 -9.202 -1.396 1.00 1.11 C ATOM 596 C PHE A 37 13.560 -10.523 -1.716 1.00 24.32 C ATOM 597 O PHE A 37 14.180 -11.587 -1.677 1.00 3.51 O ATOM 598 CB PHE A 37 14.754 -8.550 -2.687 1.00 33.05 C ATOM 599 CG PHE A 37 14.334 -7.116 -2.836 1.00 13.34 C ATOM 600 CD1 PHE A 37 13.013 -6.791 -3.102 1.00 44.32 C ATOM 601 CD2 PHE A 37 15.259 -6.092 -2.710 1.00 23.33 C ATOM 602 CE1 PHE A 37 12.623 -5.472 -3.240 1.00 4.24 C ATOM 603 CE2 PHE A 37 14.875 -4.772 -2.846 1.00 1.33 C ATOM 604 CZ PHE A 37 13.556 -4.461 -3.112 1.00 71.12 C ATOM 0 H PHE A 37 15.897 -10.259 -0.635 1.00 13.44 H new ATOM 0 HA PHE A 37 13.531 -8.540 -0.919 1.00 1.11 H new ATOM 0 HB2 PHE A 37 15.842 -8.606 -2.715 1.00 33.05 H new ATOM 0 HB3 PHE A 37 14.384 -9.119 -3.540 1.00 33.05 H new ATOM 0 HD1 PHE A 37 12.280 -7.578 -3.203 1.00 44.32 H new ATOM 0 HD2 PHE A 37 16.292 -6.329 -2.503 1.00 23.33 H new ATOM 0 HE1 PHE A 37 11.591 -5.232 -3.448 1.00 4.24 H new ATOM 0 HE2 PHE A 37 15.606 -3.984 -2.744 1.00 1.33 H new ATOM 0 HZ PHE A 37 13.254 -3.430 -3.220 1.00 71.12 H new ATOM 614 N ILE A 38 12.272 -10.448 -2.031 1.00 52.41 N ATOM 615 CA ILE A 38 11.495 -11.637 -2.358 1.00 52.31 C ATOM 616 C ILE A 38 11.142 -11.672 -3.841 1.00 71.12 C ATOM 617 O ILE A 38 10.140 -11.097 -4.265 1.00 43.42 O ATOM 618 CB ILE A 38 10.197 -11.706 -1.531 1.00 62.24 C ATOM 619 CG1 ILE A 38 10.447 -11.208 -0.107 1.00 2.15 C ATOM 620 CG2 ILE A 38 9.656 -13.128 -1.514 1.00 11.11 C ATOM 621 CD1 ILE A 38 11.543 -11.962 0.614 1.00 41.24 C ATOM 0 H ILE A 38 11.744 -9.576 -2.067 1.00 52.41 H new ATOM 0 HA ILE A 38 12.118 -12.498 -2.115 1.00 52.31 H new ATOM 0 HB ILE A 38 9.452 -11.060 -1.996 1.00 62.24 H new ATOM 0 HG12 ILE A 38 10.707 -10.150 -0.141 1.00 2.15 H new ATOM 0 HG13 ILE A 38 9.523 -11.291 0.465 1.00 2.15 H new ATOM 0 HG21 ILE A 38 8.739 -13.161 -0.926 1.00 11.11 H new ATOM 0 HG22 ILE A 38 9.445 -13.449 -2.534 1.00 11.11 H new ATOM 0 HG23 ILE A 38 10.396 -13.794 -1.070 1.00 11.11 H new ATOM 0 HD11 ILE A 38 11.665 -11.555 1.618 1.00 41.24 H new ATOM 0 HD12 ILE A 38 11.276 -13.017 0.680 1.00 41.24 H new ATOM 0 HD13 ILE A 38 12.478 -11.858 0.064 1.00 41.24 H new ATOM 633 N ALA A 39 11.971 -12.353 -4.625 1.00 63.40 N ATOM 634 CA ALA A 39 11.745 -12.468 -6.060 1.00 50.34 C ATOM 635 C ALA A 39 11.278 -13.871 -6.433 1.00 13.35 C ATOM 636 O ALA A 39 11.686 -14.856 -5.818 1.00 23.12 O ATOM 637 CB ALA A 39 13.012 -12.111 -6.824 1.00 75.24 C ATOM 0 H ALA A 39 12.806 -12.834 -4.290 1.00 63.40 H new ATOM 0 HA ALA A 39 10.957 -11.767 -6.335 1.00 50.34 H new ATOM 0 HB1 ALA A 39 12.829 -12.201 -7.895 1.00 75.24 H new ATOM 0 HB2 ALA A 39 13.301 -11.086 -6.590 1.00 75.24 H new ATOM 0 HB3 ALA A 39 13.815 -12.789 -6.535 1.00 75.24 H new ATOM 643 N LYS A 40 10.418 -13.955 -7.442 1.00 42.43 N ATOM 644 CA LYS A 40 9.895 -15.237 -7.898 1.00 32.13 C ATOM 645 C LYS A 40 10.297 -15.506 -9.344 1.00 64.41 C ATOM 646 O LYS A 40 10.568 -14.589 -10.119 1.00 61.24 O ATOM 647 CB LYS A 40 8.370 -15.264 -7.768 1.00 62.01 C ATOM 648 CG LYS A 40 7.880 -15.190 -6.332 1.00 64.52 C ATOM 649 CD LYS A 40 6.435 -15.644 -6.212 1.00 41.11 C ATOM 650 CE LYS A 40 5.501 -14.743 -7.005 1.00 14.12 C ATOM 651 NZ LYS A 40 5.336 -15.212 -8.409 1.00 21.25 N ATOM 0 H LYS A 40 10.068 -13.149 -7.960 1.00 42.43 H new ATOM 0 HA LYS A 40 10.322 -16.019 -7.270 1.00 32.13 H new ATOM 0 HB2 LYS A 40 7.951 -14.429 -8.329 1.00 62.01 H new ATOM 0 HB3 LYS A 40 7.991 -16.178 -8.226 1.00 62.01 H new ATOM 0 HG2 LYS A 40 8.512 -15.813 -5.698 1.00 64.52 H new ATOM 0 HG3 LYS A 40 7.972 -14.167 -5.967 1.00 64.52 H new ATOM 0 HD2 LYS A 40 6.344 -16.670 -6.570 1.00 41.11 H new ATOM 0 HD3 LYS A 40 6.138 -15.645 -5.163 1.00 41.11 H new ATOM 0 HE2 LYS A 40 4.527 -14.710 -6.517 1.00 14.12 H new ATOM 0 HE3 LYS A 40 5.892 -13.726 -7.006 1.00 14.12 H new ATOM 0 HZ1 LYS A 40 5.932 -14.638 -9.039 1.00 21.25 H new ATOM 0 HZ2 LYS A 40 5.621 -16.210 -8.477 1.00 21.25 H new ATOM 0 HZ3 LYS A 40 4.340 -15.116 -8.692 1.00 21.25 H new ATOM 665 N PRO A 41 10.337 -16.794 -9.718 1.00 42.12 N ATOM 666 CA PRO A 41 10.704 -17.213 -11.074 1.00 73.22 C ATOM 667 C PRO A 41 9.639 -16.846 -12.102 1.00 42.43 C ATOM 668 O PRO A 41 8.477 -17.230 -11.970 1.00 52.22 O ATOM 669 CB PRO A 41 10.828 -18.734 -10.954 1.00 22.02 C ATOM 670 CG PRO A 41 9.952 -19.096 -9.804 1.00 42.05 C ATOM 671 CD PRO A 41 10.027 -17.939 -8.846 1.00 71.45 C ATOM 0 HA PRO A 41 11.614 -16.723 -11.419 1.00 73.22 H new ATOM 0 HB2 PRO A 41 10.506 -19.231 -11.869 1.00 22.02 H new ATOM 0 HB3 PRO A 41 11.860 -19.034 -10.775 1.00 22.02 H new ATOM 0 HG2 PRO A 41 8.926 -19.265 -10.133 1.00 42.05 H new ATOM 0 HG3 PRO A 41 10.291 -20.017 -9.330 1.00 42.05 H new ATOM 0 HD2 PRO A 41 9.086 -17.796 -8.314 1.00 71.45 H new ATOM 0 HD3 PRO A 41 10.800 -18.091 -8.092 1.00 71.45 H new ATOM 679 N ILE A 42 10.044 -16.101 -13.125 1.00 53.45 N ATOM 680 CA ILE A 42 9.124 -15.683 -14.176 1.00 70.24 C ATOM 681 C ILE A 42 8.857 -16.820 -15.157 1.00 64.11 C ATOM 682 O ILE A 42 7.712 -17.085 -15.519 1.00 50.02 O ATOM 683 CB ILE A 42 9.669 -14.469 -14.951 1.00 54.24 C ATOM 684 CG1 ILE A 42 9.924 -13.300 -13.998 1.00 15.05 C ATOM 685 CG2 ILE A 42 8.697 -14.062 -16.049 1.00 12.31 C ATOM 686 CD1 ILE A 42 10.538 -12.093 -14.671 1.00 65.32 C ATOM 0 H ILE A 42 11.002 -15.775 -13.249 1.00 53.45 H new ATOM 0 HA ILE A 42 8.192 -15.402 -13.686 1.00 70.24 H new ATOM 0 HB ILE A 42 10.615 -14.748 -15.415 1.00 54.24 H new ATOM 0 HG12 ILE A 42 8.982 -13.007 -13.535 1.00 15.05 H new ATOM 0 HG13 ILE A 42 10.583 -13.633 -13.196 1.00 15.05 H new ATOM 0 HG21 ILE A 42 9.096 -13.203 -16.588 1.00 12.31 H new ATOM 0 HG22 ILE A 42 8.561 -14.893 -16.741 1.00 12.31 H new ATOM 0 HG23 ILE A 42 7.737 -13.798 -15.606 1.00 12.31 H new ATOM 0 HD11 ILE A 42 10.690 -11.304 -13.935 1.00 65.32 H new ATOM 0 HD12 ILE A 42 11.497 -12.370 -15.110 1.00 65.32 H new ATOM 0 HD13 ILE A 42 9.870 -11.734 -15.454 1.00 65.32 H new ATOM 769 N PRO A 47 7.975 -19.102 -4.222 1.00 34.24 N ATOM 770 CA PRO A 47 8.716 -17.929 -3.751 1.00 2.42 C ATOM 771 C PRO A 47 9.861 -18.303 -2.816 1.00 21.12 C ATOM 772 O PRO A 47 9.729 -19.201 -1.985 1.00 52.21 O ATOM 773 CB PRO A 47 7.657 -17.117 -3.001 1.00 30.12 C ATOM 774 CG PRO A 47 6.644 -18.122 -2.571 1.00 41.44 C ATOM 775 CD PRO A 47 6.621 -19.172 -3.647 1.00 54.01 C ATOM 0 HA PRO A 47 9.185 -17.387 -4.572 1.00 2.42 H new ATOM 0 HB2 PRO A 47 8.089 -16.598 -2.145 1.00 30.12 H new ATOM 0 HB3 PRO A 47 7.213 -16.357 -3.643 1.00 30.12 H new ATOM 0 HG2 PRO A 47 6.910 -18.556 -1.607 1.00 41.44 H new ATOM 0 HG3 PRO A 47 5.663 -17.662 -2.454 1.00 41.44 H new ATOM 0 HD2 PRO A 47 6.408 -20.160 -3.239 1.00 54.01 H new ATOM 0 HD3 PRO A 47 5.856 -18.964 -4.395 1.00 54.01 H new ATOM 783 N GLY A 48 10.986 -17.608 -2.957 1.00 30.22 N ATOM 784 CA GLY A 48 12.138 -17.883 -2.118 1.00 14.34 C ATOM 785 C GLY A 48 12.703 -16.629 -1.480 1.00 53.22 C ATOM 786 O GLY A 48 11.961 -15.701 -1.153 1.00 21.42 O ATOM 0 H GLY A 48 11.120 -16.860 -3.637 1.00 30.22 H new ATOM 0 HA2 GLY A 48 11.855 -18.588 -1.337 1.00 14.34 H new ATOM 0 HA3 GLY A 48 12.913 -18.364 -2.716 1.00 14.34 H new ATOM 790 N LEU A 49 14.019 -16.600 -1.302 1.00 13.53 N ATOM 791 CA LEU A 49 14.683 -15.450 -0.697 1.00 64.13 C ATOM 792 C LEU A 49 15.962 -15.101 -1.452 1.00 61.53 C ATOM 793 O LEU A 49 16.842 -15.945 -1.627 1.00 50.41 O ATOM 794 CB LEU A 49 15.006 -15.736 0.770 1.00 21.33 C ATOM 795 CG LEU A 49 15.006 -14.527 1.706 1.00 43.33 C ATOM 796 CD1 LEU A 49 15.807 -13.384 1.100 1.00 30.15 C ATOM 797 CD2 LEU A 49 13.582 -14.083 2.004 1.00 54.21 C ATOM 0 H LEU A 49 14.647 -17.359 -1.568 1.00 13.53 H new ATOM 0 HA LEU A 49 14.005 -14.599 -0.754 1.00 64.13 H new ATOM 0 HB2 LEU A 49 14.284 -16.461 1.146 1.00 21.33 H new ATOM 0 HB3 LEU A 49 15.987 -16.209 0.820 1.00 21.33 H new ATOM 0 HG LEU A 49 15.478 -14.818 2.644 1.00 43.33 H new ATOM 0 HD11 LEU A 49 15.796 -12.532 1.780 1.00 30.15 H new ATOM 0 HD12 LEU A 49 16.836 -13.706 0.938 1.00 30.15 H new ATOM 0 HD13 LEU A 49 15.364 -13.094 0.147 1.00 30.15 H new ATOM 0 HD21 LEU A 49 13.602 -13.222 2.672 1.00 54.21 H new ATOM 0 HD22 LEU A 49 13.084 -13.810 1.074 1.00 54.21 H new ATOM 0 HD23 LEU A 49 13.039 -14.899 2.481 1.00 54.21 H new ATOM 809 N VAL A 50 16.059 -13.852 -1.896 1.00 62.33 N ATOM 810 CA VAL A 50 17.232 -13.390 -2.630 1.00 32.54 C ATOM 811 C VAL A 50 17.706 -12.037 -2.112 1.00 31.32 C ATOM 812 O VAL A 50 16.923 -11.104 -1.932 1.00 71.33 O ATOM 813 CB VAL A 50 16.942 -13.278 -4.138 1.00 51.21 C ATOM 814 CG1 VAL A 50 15.887 -12.214 -4.401 1.00 40.03 C ATOM 815 CG2 VAL A 50 18.220 -12.974 -4.905 1.00 3.25 C ATOM 0 H VAL A 50 15.340 -13.142 -1.760 1.00 62.33 H new ATOM 0 HA VAL A 50 18.016 -14.131 -2.473 1.00 32.54 H new ATOM 0 HB VAL A 50 16.554 -14.235 -4.488 1.00 51.21 H new ATOM 0 HG11 VAL A 50 15.695 -12.149 -5.472 1.00 40.03 H new ATOM 0 HG12 VAL A 50 14.966 -12.479 -3.883 1.00 40.03 H new ATOM 0 HG13 VAL A 50 16.243 -11.250 -4.037 1.00 40.03 H new ATOM 0 HG21 VAL A 50 17.996 -12.898 -5.969 1.00 3.25 H new ATOM 0 HG22 VAL A 50 18.639 -12.031 -4.554 1.00 3.25 H new ATOM 0 HG23 VAL A 50 18.941 -13.775 -4.742 1.00 3.25 H new ATOM 825 N PRO A 51 19.020 -11.925 -1.866 1.00 33.23 N ATOM 826 CA PRO A 51 19.629 -10.689 -1.366 1.00 31.12 C ATOM 827 C PRO A 51 19.631 -9.580 -2.412 1.00 15.52 C ATOM 828 O PRO A 51 19.539 -9.843 -3.611 1.00 1.21 O ATOM 829 CB PRO A 51 21.062 -11.110 -1.031 1.00 31.23 C ATOM 830 CG PRO A 51 21.327 -12.283 -1.910 1.00 23.44 C ATOM 831 CD PRO A 51 20.012 -12.997 -2.057 1.00 53.50 C ATOM 0 HA PRO A 51 19.081 -10.279 -0.518 1.00 31.12 H new ATOM 0 HB2 PRO A 51 21.768 -10.302 -1.225 1.00 31.23 H new ATOM 0 HB3 PRO A 51 21.161 -11.374 0.022 1.00 31.23 H new ATOM 0 HG2 PRO A 51 21.709 -11.965 -2.880 1.00 23.44 H new ATOM 0 HG3 PRO A 51 22.079 -12.938 -1.470 1.00 23.44 H new ATOM 0 HD2 PRO A 51 19.915 -13.464 -3.037 1.00 53.50 H new ATOM 0 HD3 PRO A 51 19.898 -13.787 -1.315 1.00 53.50 H new ATOM 839 N VAL A 52 19.736 -8.337 -1.950 1.00 75.41 N ATOM 840 CA VAL A 52 19.751 -7.187 -2.846 1.00 72.42 C ATOM 841 C VAL A 52 21.104 -7.044 -3.534 1.00 30.33 C ATOM 842 O VAL A 52 21.216 -6.404 -4.579 1.00 61.10 O ATOM 843 CB VAL A 52 19.430 -5.884 -2.092 1.00 2.54 C ATOM 844 CG1 VAL A 52 18.979 -4.802 -3.062 1.00 31.25 C ATOM 845 CG2 VAL A 52 18.373 -6.131 -1.027 1.00 34.15 C ATOM 0 H VAL A 52 19.812 -8.102 -0.960 1.00 75.41 H new ATOM 0 HA VAL A 52 18.981 -7.361 -3.598 1.00 72.42 H new ATOM 0 HB VAL A 52 20.338 -5.539 -1.597 1.00 2.54 H new ATOM 0 HG11 VAL A 52 18.757 -3.889 -2.510 1.00 31.25 H new ATOM 0 HG12 VAL A 52 19.772 -4.606 -3.783 1.00 31.25 H new ATOM 0 HG13 VAL A 52 18.084 -5.135 -3.588 1.00 31.25 H new ATOM 0 HG21 VAL A 52 18.159 -5.199 -0.504 1.00 34.15 H new ATOM 0 HG22 VAL A 52 17.462 -6.501 -1.497 1.00 34.15 H new ATOM 0 HG23 VAL A 52 18.740 -6.870 -0.315 1.00 34.15 H new ATOM 855 N SER A 53 22.130 -7.645 -2.940 1.00 31.54 N ATOM 856 CA SER A 53 23.478 -7.583 -3.493 1.00 15.50 C ATOM 857 C SER A 53 23.643 -8.581 -4.635 1.00 2.14 C ATOM 858 O SER A 53 24.719 -8.695 -5.223 1.00 73.30 O ATOM 859 CB SER A 53 24.513 -7.862 -2.402 1.00 1.40 C ATOM 860 OG SER A 53 24.444 -6.890 -1.372 1.00 73.44 O ATOM 0 H SER A 53 22.053 -8.181 -2.075 1.00 31.54 H new ATOM 0 HA SER A 53 23.637 -6.579 -3.886 1.00 15.50 H new ATOM 0 HB2 SER A 53 24.345 -8.854 -1.982 1.00 1.40 H new ATOM 0 HB3 SER A 53 25.512 -7.865 -2.837 1.00 1.40 H new ATOM 0 HG SER A 53 24.603 -6.000 -1.751 1.00 73.44 H new ATOM 866 N TYR A 54 22.571 -9.301 -4.942 1.00 75.41 N ATOM 867 CA TYR A 54 22.596 -10.292 -6.011 1.00 62.43 C ATOM 868 C TYR A 54 21.595 -9.938 -7.107 1.00 32.35 C ATOM 869 O TYR A 54 21.772 -10.304 -8.268 1.00 63.44 O ATOM 870 CB TYR A 54 22.288 -11.683 -5.454 1.00 24.13 C ATOM 871 CG TYR A 54 23.461 -12.326 -4.749 1.00 3.05 C ATOM 872 CD1 TYR A 54 24.077 -11.701 -3.671 1.00 60.22 C ATOM 873 CD2 TYR A 54 23.953 -13.559 -5.159 1.00 50.03 C ATOM 874 CE1 TYR A 54 25.149 -12.285 -3.025 1.00 3.44 C ATOM 875 CE2 TYR A 54 25.024 -14.151 -4.518 1.00 11.44 C ATOM 876 CZ TYR A 54 25.619 -13.509 -3.451 1.00 71.33 C ATOM 877 OH TYR A 54 26.686 -14.094 -2.809 1.00 31.51 O ATOM 0 H TYR A 54 21.673 -9.217 -4.466 1.00 75.41 H new ATOM 0 HA TYR A 54 23.596 -10.295 -6.445 1.00 62.43 H new ATOM 0 HB2 TYR A 54 21.452 -11.610 -4.758 1.00 24.13 H new ATOM 0 HB3 TYR A 54 21.967 -12.329 -6.271 1.00 24.13 H new ATOM 0 HD1 TYR A 54 23.711 -10.743 -3.333 1.00 60.22 H new ATOM 0 HD2 TYR A 54 23.490 -14.064 -5.994 1.00 50.03 H new ATOM 0 HE1 TYR A 54 25.617 -11.785 -2.190 1.00 3.44 H new ATOM 0 HE2 TYR A 54 25.393 -15.110 -4.850 1.00 11.44 H new ATOM 0 HH TYR A 54 26.891 -14.954 -3.232 1.00 31.51 H new ATOM 887 N VAL A 55 20.541 -9.222 -6.727 1.00 22.21 N ATOM 888 CA VAL A 55 19.511 -8.816 -7.675 1.00 42.34 C ATOM 889 C VAL A 55 19.615 -7.329 -7.996 1.00 1.11 C ATOM 890 O VAL A 55 20.013 -6.528 -7.150 1.00 43.44 O ATOM 891 CB VAL A 55 18.100 -9.116 -7.135 1.00 5.33 C ATOM 892 CG1 VAL A 55 17.835 -10.614 -7.136 1.00 3.51 C ATOM 893 CG2 VAL A 55 17.932 -8.537 -5.738 1.00 34.20 C ATOM 0 H VAL A 55 20.379 -8.911 -5.769 1.00 22.21 H new ATOM 0 HA VAL A 55 19.674 -9.394 -8.585 1.00 42.34 H new ATOM 0 HB VAL A 55 17.369 -8.642 -7.791 1.00 5.33 H new ATOM 0 HG11 VAL A 55 16.834 -10.807 -6.751 1.00 3.51 H new ATOM 0 HG12 VAL A 55 17.913 -10.997 -8.154 1.00 3.51 H new ATOM 0 HG13 VAL A 55 18.569 -11.114 -6.504 1.00 3.51 H new ATOM 0 HG21 VAL A 55 16.930 -8.758 -5.371 1.00 34.20 H new ATOM 0 HG22 VAL A 55 18.669 -8.981 -5.069 1.00 34.20 H new ATOM 0 HG23 VAL A 55 18.076 -7.457 -5.772 1.00 34.20 H new ATOM 903 N ARG A 56 19.254 -6.967 -9.223 1.00 30.13 N ATOM 904 CA ARG A 56 19.307 -5.576 -9.656 1.00 2.03 C ATOM 905 C ARG A 56 17.915 -5.065 -10.015 1.00 1.44 C ATOM 906 O ARG A 56 17.326 -5.487 -11.010 1.00 13.21 O ATOM 907 CB ARG A 56 20.242 -5.429 -10.858 1.00 33.21 C ATOM 908 CG ARG A 56 19.973 -4.186 -11.690 1.00 4.33 C ATOM 909 CD ARG A 56 21.037 -3.991 -12.759 1.00 53.32 C ATOM 910 NE ARG A 56 21.178 -5.168 -13.612 1.00 55.20 N ATOM 911 CZ ARG A 56 21.710 -5.134 -14.829 1.00 31.54 C ATOM 912 NH1 ARG A 56 22.150 -3.990 -15.332 1.00 53.42 N ATOM 913 NH2 ARG A 56 21.804 -6.248 -15.544 1.00 34.22 N ATOM 0 H ARG A 56 18.922 -7.618 -9.935 1.00 30.13 H new ATOM 0 HA ARG A 56 19.692 -4.979 -8.830 1.00 2.03 H new ATOM 0 HB2 ARG A 56 21.273 -5.403 -10.505 1.00 33.21 H new ATOM 0 HB3 ARG A 56 20.144 -6.309 -11.493 1.00 33.21 H new ATOM 0 HG2 ARG A 56 18.993 -4.267 -12.161 1.00 4.33 H new ATOM 0 HG3 ARG A 56 19.944 -3.311 -11.040 1.00 4.33 H new ATOM 0 HD2 ARG A 56 20.780 -3.127 -13.373 1.00 53.32 H new ATOM 0 HD3 ARG A 56 21.993 -3.771 -12.283 1.00 53.32 H new ATOM 0 HE ARG A 56 20.850 -6.065 -13.254 1.00 55.20 H new ATOM 0 HH11 ARG A 56 22.081 -3.132 -14.785 1.00 53.42 H new ATOM 0 HH12 ARG A 56 22.558 -3.967 -16.267 1.00 53.42 H new ATOM 0 HH21 ARG A 56 21.468 -7.131 -15.159 1.00 34.22 H new ATOM 0 HH22 ARG A 56 22.212 -6.221 -16.478 1.00 34.22 H new ATOM 927 N ILE A 57 17.396 -4.155 -9.197 1.00 52.44 N ATOM 928 CA ILE A 57 16.074 -3.586 -9.429 1.00 51.03 C ATOM 929 C ILE A 57 16.068 -2.697 -10.668 1.00 53.40 C ATOM 930 O ILE A 57 16.690 -1.634 -10.685 1.00 14.15 O ATOM 931 CB ILE A 57 15.594 -2.764 -8.218 1.00 44.15 C ATOM 932 CG1 ILE A 57 14.951 -3.680 -7.175 1.00 53.34 C ATOM 933 CG2 ILE A 57 14.615 -1.688 -8.663 1.00 50.02 C ATOM 934 CD1 ILE A 57 15.853 -4.805 -6.720 1.00 5.43 C ATOM 0 H ILE A 57 17.871 -3.796 -8.368 1.00 52.44 H new ATOM 0 HA ILE A 57 15.393 -4.423 -9.582 1.00 51.03 H new ATOM 0 HB ILE A 57 16.456 -2.277 -7.763 1.00 44.15 H new ATOM 0 HG12 ILE A 57 14.662 -3.084 -6.309 1.00 53.34 H new ATOM 0 HG13 ILE A 57 14.037 -4.104 -7.590 1.00 53.34 H new ATOM 0 HG21 ILE A 57 14.285 -1.116 -7.796 1.00 50.02 H new ATOM 0 HG22 ILE A 57 15.105 -1.021 -9.373 1.00 50.02 H new ATOM 0 HG23 ILE A 57 13.753 -2.155 -9.139 1.00 50.02 H new ATOM 0 HD11 ILE A 57 15.331 -5.413 -5.981 1.00 5.43 H new ATOM 0 HD12 ILE A 57 16.122 -5.424 -7.576 1.00 5.43 H new ATOM 0 HD13 ILE A 57 16.757 -4.389 -6.275 1.00 5.43 H new ATOM 946 N ILE A 58 15.360 -3.137 -11.702 1.00 73.34 N ATOM 947 CA ILE A 58 15.270 -2.380 -12.944 1.00 40.34 C ATOM 948 C ILE A 58 13.817 -2.121 -13.327 1.00 33.02 C ATOM 949 O ILE A 58 12.900 -2.722 -12.766 1.00 62.12 O ATOM 950 CB ILE A 58 15.971 -3.113 -14.103 1.00 43.01 C ATOM 951 CG1 ILE A 58 15.496 -4.566 -14.178 1.00 4.50 C ATOM 952 CG2 ILE A 58 17.482 -3.052 -13.932 1.00 33.05 C ATOM 953 CD1 ILE A 58 15.629 -5.174 -15.556 1.00 74.25 C ATOM 0 H ILE A 58 14.840 -4.014 -11.704 1.00 73.34 H new ATOM 0 HA ILE A 58 15.772 -1.429 -12.769 1.00 40.34 H new ATOM 0 HB ILE A 58 15.711 -2.617 -15.038 1.00 43.01 H new ATOM 0 HG12 ILE A 58 16.068 -5.164 -13.469 1.00 4.50 H new ATOM 0 HG13 ILE A 58 14.452 -4.615 -13.867 1.00 4.50 H new ATOM 0 HG21 ILE A 58 17.963 -3.574 -14.759 1.00 33.05 H new ATOM 0 HG22 ILE A 58 17.805 -2.011 -13.923 1.00 33.05 H new ATOM 0 HG23 ILE A 58 17.761 -3.527 -12.991 1.00 33.05 H new ATOM 0 HD11 ILE A 58 15.274 -6.204 -15.535 1.00 74.25 H new ATOM 0 HD12 ILE A 58 15.034 -4.600 -16.266 1.00 74.25 H new ATOM 0 HD13 ILE A 58 16.675 -5.157 -15.862 1.00 74.25 H new ATOM 965 N ASP A 59 13.614 -1.224 -14.286 1.00 32.33 N ATOM 966 CA ASP A 59 12.272 -0.888 -14.746 1.00 54.31 C ATOM 967 C ASP A 59 11.966 -1.570 -16.076 1.00 31.55 C ATOM 968 O ASP A 59 12.713 -1.428 -17.045 1.00 34.31 O ATOM 969 CB ASP A 59 12.124 0.628 -14.891 1.00 62.21 C ATOM 970 CG ASP A 59 12.036 1.332 -13.551 1.00 60.24 C ATOM 971 OD1 ASP A 59 12.580 0.797 -12.563 1.00 23.24 O ATOM 972 OD2 ASP A 59 11.423 2.418 -13.492 1.00 5.13 O ATOM 0 H ASP A 59 14.362 -0.717 -14.760 1.00 32.33 H new ATOM 0 HA ASP A 59 11.560 -1.246 -14.002 1.00 54.31 H new ATOM 0 HB2 ASP A 59 12.973 1.021 -15.450 1.00 62.21 H new ATOM 0 HB3 ASP A 59 11.230 0.849 -15.474 1.00 62.21 H new ATOM 977 N LEU A 60 10.865 -2.313 -16.114 1.00 51.30 N ATOM 978 CA LEU A 60 10.460 -3.019 -17.325 1.00 24.25 C ATOM 979 C LEU A 60 10.318 -2.054 -18.497 1.00 11.43 C ATOM 980 O LEU A 60 10.434 -2.449 -19.656 1.00 41.44 O ATOM 981 CB LEU A 60 9.140 -3.755 -17.092 1.00 32.31 C ATOM 982 CG LEU A 60 9.253 -5.225 -16.685 1.00 1.34 C ATOM 983 CD1 LEU A 60 7.874 -5.820 -16.445 1.00 63.24 C ATOM 984 CD2 LEU A 60 10.001 -6.017 -17.747 1.00 40.43 C ATOM 0 H LEU A 60 10.237 -2.442 -15.321 1.00 51.30 H new ATOM 0 HA LEU A 60 11.236 -3.745 -17.569 1.00 24.25 H new ATOM 0 HB2 LEU A 60 8.584 -3.226 -16.318 1.00 32.31 H new ATOM 0 HB3 LEU A 60 8.548 -3.696 -18.006 1.00 32.31 H new ATOM 0 HG LEU A 60 9.817 -5.282 -15.754 1.00 1.34 H new ATOM 0 HD11 LEU A 60 7.974 -6.866 -16.156 1.00 63.24 H new ATOM 0 HD12 LEU A 60 7.374 -5.270 -15.648 1.00 63.24 H new ATOM 0 HD13 LEU A 60 7.284 -5.751 -17.359 1.00 63.24 H new ATOM 0 HD21 LEU A 60 10.072 -7.061 -17.440 1.00 40.43 H new ATOM 0 HD22 LEU A 60 9.465 -5.953 -18.694 1.00 40.43 H new ATOM 0 HD23 LEU A 60 11.003 -5.606 -17.869 1.00 40.43 H new ATOM 996 N MET A 61 10.068 -0.786 -18.185 1.00 73.14 N ATOM 997 CA MET A 61 9.913 0.237 -19.213 1.00 61.34 C ATOM 998 C MET A 61 11.256 0.877 -19.549 1.00 41.24 C ATOM 999 O MET A 61 11.478 1.321 -20.676 1.00 63.52 O ATOM 1000 CB MET A 61 8.925 1.309 -18.751 1.00 53.25 C ATOM 1001 CG MET A 61 7.473 0.864 -18.812 1.00 35.22 C ATOM 1002 SD MET A 61 6.958 -0.030 -17.333 1.00 23.41 S ATOM 1003 CE MET A 61 6.178 -1.469 -18.061 1.00 50.22 C ATOM 0 H MET A 61 9.969 -0.443 -17.230 1.00 73.14 H new ATOM 0 HA MET A 61 9.524 -0.242 -20.111 1.00 61.34 H new ATOM 0 HB2 MET A 61 9.166 1.596 -17.727 1.00 53.25 H new ATOM 0 HB3 MET A 61 9.050 2.198 -19.369 1.00 53.25 H new ATOM 0 HG2 MET A 61 6.835 1.737 -18.945 1.00 35.22 H new ATOM 0 HG3 MET A 61 7.328 0.228 -19.685 1.00 35.22 H new ATOM 0 HE1 MET A 61 5.807 -2.121 -17.270 1.00 50.22 H new ATOM 0 HE2 MET A 61 5.346 -1.153 -18.691 1.00 50.22 H new ATOM 0 HE3 MET A 61 6.905 -2.010 -18.666 1.00 50.22 H new ATOM 1013 N ASP A 62 12.147 0.923 -18.565 1.00 63.44 N ATOM 1014 CA ASP A 62 13.469 1.508 -18.757 1.00 50.43 C ATOM 1015 C ASP A 62 14.516 0.770 -17.929 1.00 10.52 C ATOM 1016 O ASP A 62 14.987 1.258 -16.901 1.00 54.40 O ATOM 1017 CB ASP A 62 13.453 2.990 -18.379 1.00 42.33 C ATOM 1018 CG ASP A 62 12.840 3.233 -17.014 1.00 54.24 C ATOM 1019 OD1 ASP A 62 11.602 3.379 -16.938 1.00 51.33 O ATOM 1020 OD2 ASP A 62 13.597 3.278 -16.022 1.00 43.04 O ATOM 0 H ASP A 62 11.978 0.562 -17.626 1.00 63.44 H new ATOM 0 HA ASP A 62 13.732 1.412 -19.810 1.00 50.43 H new ATOM 0 HB2 ASP A 62 14.472 3.376 -18.390 1.00 42.33 H new ATOM 0 HB3 ASP A 62 12.893 3.547 -19.130 1.00 42.33 H new ATOM 1025 N PRO A 63 14.890 -0.435 -18.384 1.00 54.40 N ATOM 1026 CA PRO A 63 15.884 -1.266 -17.700 1.00 3.14 C ATOM 1027 C PRO A 63 17.291 -0.685 -17.796 1.00 53.32 C ATOM 1028 O PRO A 63 18.217 -1.165 -17.144 1.00 62.54 O ATOM 1029 CB PRO A 63 15.805 -2.600 -18.445 1.00 73.41 C ATOM 1030 CG PRO A 63 15.294 -2.248 -19.800 1.00 4.24 C ATOM 1031 CD PRO A 63 14.370 -1.078 -19.602 1.00 61.33 C ATOM 0 HA PRO A 63 15.682 -1.346 -16.632 1.00 3.14 H new ATOM 0 HB2 PRO A 63 16.782 -3.080 -18.503 1.00 73.41 H new ATOM 0 HB3 PRO A 63 15.137 -3.297 -17.939 1.00 73.41 H new ATOM 0 HG2 PRO A 63 16.113 -1.989 -20.471 1.00 4.24 H new ATOM 0 HG3 PRO A 63 14.767 -3.090 -20.249 1.00 4.24 H new ATOM 0 HD2 PRO A 63 14.392 -0.400 -20.455 1.00 61.33 H new ATOM 0 HD3 PRO A 63 13.336 -1.399 -19.477 1.00 61.33 H new ATOM 1039 N ALA A 64 17.443 0.352 -18.613 1.00 54.43 N ATOM 1040 CA ALA A 64 18.736 1.000 -18.793 1.00 12.52 C ATOM 1041 C ALA A 64 18.858 2.236 -17.908 1.00 2.31 C ATOM 1042 O ALA A 64 19.918 2.860 -17.837 1.00 35.43 O ATOM 1043 CB ALA A 64 18.941 1.373 -20.254 1.00 23.43 C ATOM 0 H ALA A 64 16.686 0.761 -19.161 1.00 54.43 H new ATOM 0 HA ALA A 64 19.512 0.295 -18.497 1.00 12.52 H new ATOM 0 HB1 ALA A 64 19.911 1.856 -20.374 1.00 23.43 H new ATOM 0 HB2 ALA A 64 18.906 0.473 -20.868 1.00 23.43 H new ATOM 0 HB3 ALA A 64 18.153 2.058 -20.569 1.00 23.43 H new ATOM 1049 N LYS A 65 17.767 2.586 -17.235 1.00 4.53 N ATOM 1050 CA LYS A 65 17.752 3.748 -16.353 1.00 73.23 C ATOM 1051 C LYS A 65 18.293 3.390 -14.973 1.00 14.44 C ATOM 1052 O LYS A 65 19.190 4.056 -14.456 1.00 22.14 O ATOM 1053 CB LYS A 65 16.330 4.300 -16.228 1.00 72.24 C ATOM 1054 CG LYS A 65 16.278 5.758 -15.805 1.00 23.53 C ATOM 1055 CD LYS A 65 14.887 6.155 -15.341 1.00 73.34 C ATOM 1056 CE LYS A 65 13.924 6.282 -16.512 1.00 64.34 C ATOM 1057 NZ LYS A 65 13.707 7.703 -16.900 1.00 31.10 N ATOM 0 H LYS A 65 16.882 2.082 -17.283 1.00 4.53 H new ATOM 0 HA LYS A 65 18.395 4.513 -16.789 1.00 73.23 H new ATOM 0 HB2 LYS A 65 15.821 4.190 -17.186 1.00 72.24 H new ATOM 0 HB3 LYS A 65 15.779 3.700 -15.503 1.00 72.24 H new ATOM 0 HG2 LYS A 65 16.994 5.930 -15.001 1.00 23.53 H new ATOM 0 HG3 LYS A 65 16.578 6.391 -16.640 1.00 23.53 H new ATOM 0 HD2 LYS A 65 14.511 5.412 -14.638 1.00 73.34 H new ATOM 0 HD3 LYS A 65 14.938 7.103 -14.806 1.00 73.34 H new ATOM 0 HE2 LYS A 65 14.315 5.728 -17.365 1.00 64.34 H new ATOM 0 HE3 LYS A 65 12.969 5.828 -16.248 1.00 64.34 H new ATOM 0 HZ1 LYS A 65 13.045 7.747 -17.701 1.00 31.10 H new ATOM 0 HZ2 LYS A 65 13.310 8.226 -16.094 1.00 31.10 H new ATOM 0 HZ3 LYS A 65 14.614 8.130 -17.177 1.00 31.10 H new ATOM 1071 N TYR A 66 17.742 2.336 -14.382 1.00 23.34 N ATOM 1072 CA TYR A 66 18.169 1.891 -13.060 1.00 62.44 C ATOM 1073 C TYR A 66 19.294 0.865 -13.168 1.00 51.40 C ATOM 1074 O TYR A 66 19.794 0.369 -12.160 1.00 25.54 O ATOM 1075 CB TYR A 66 16.989 1.291 -12.295 1.00 75.52 C ATOM 1076 CG TYR A 66 15.960 2.314 -11.869 1.00 24.23 C ATOM 1077 CD1 TYR A 66 15.002 2.778 -12.761 1.00 74.43 C ATOM 1078 CD2 TYR A 66 15.948 2.818 -10.574 1.00 60.31 C ATOM 1079 CE1 TYR A 66 14.061 3.713 -12.377 1.00 34.05 C ATOM 1080 CE2 TYR A 66 15.010 3.752 -10.180 1.00 51.12 C ATOM 1081 CZ TYR A 66 14.069 4.197 -11.085 1.00 34.21 C ATOM 1082 OH TYR A 66 13.133 5.129 -10.697 1.00 23.42 O ATOM 0 H TYR A 66 16.999 1.774 -14.797 1.00 23.34 H new ATOM 0 HA TYR A 66 18.543 2.758 -12.516 1.00 62.44 H new ATOM 0 HB2 TYR A 66 16.505 0.540 -12.920 1.00 75.52 H new ATOM 0 HB3 TYR A 66 17.364 0.776 -11.411 1.00 75.52 H new ATOM 0 HD1 TYR A 66 14.993 2.401 -13.773 1.00 74.43 H new ATOM 0 HD2 TYR A 66 16.685 2.473 -9.864 1.00 60.31 H new ATOM 0 HE1 TYR A 66 13.323 4.063 -13.084 1.00 34.05 H new ATOM 0 HE2 TYR A 66 15.013 4.132 -9.169 1.00 51.12 H new ATOM 0 HH TYR A 66 12.337 4.671 -10.355 1.00 23.42 H new ATOM 1092 N ALA A 67 19.686 0.554 -14.399 1.00 43.31 N ATOM 1093 CA ALA A 67 20.753 -0.409 -14.640 1.00 62.03 C ATOM 1094 C ALA A 67 22.066 0.060 -14.023 1.00 22.14 C ATOM 1095 O ALA A 67 22.989 -0.731 -13.827 1.00 33.31 O ATOM 1096 CB ALA A 67 20.924 -0.644 -16.134 1.00 25.03 C ATOM 0 H ALA A 67 19.281 0.955 -15.245 1.00 43.31 H new ATOM 0 HA ALA A 67 20.474 -1.349 -14.165 1.00 62.03 H new ATOM 0 HB1 ALA A 67 21.724 -1.365 -16.300 1.00 25.03 H new ATOM 0 HB2 ALA A 67 19.994 -1.032 -16.550 1.00 25.03 H new ATOM 0 HB3 ALA A 67 21.176 0.297 -16.624 1.00 25.03 H new ATOM 1102 N SER A 68 22.144 1.351 -13.718 1.00 52.53 N ATOM 1103 CA SER A 68 23.346 1.927 -13.127 1.00 22.41 C ATOM 1104 C SER A 68 23.444 1.575 -11.645 1.00 44.25 C ATOM 1105 O SER A 68 24.532 1.563 -11.069 1.00 42.41 O ATOM 1106 CB SER A 68 23.350 3.446 -13.304 1.00 3.24 C ATOM 1107 OG SER A 68 22.329 4.052 -12.531 1.00 15.20 O ATOM 0 H SER A 68 21.388 2.019 -13.871 1.00 52.53 H new ATOM 0 HA SER A 68 24.211 1.507 -13.641 1.00 22.41 H new ATOM 0 HB2 SER A 68 24.320 3.847 -13.010 1.00 3.24 H new ATOM 0 HB3 SER A 68 23.209 3.693 -14.356 1.00 3.24 H new ATOM 0 HG SER A 68 22.354 5.023 -12.660 1.00 15.20 H new ATOM 1113 N VAL A 69 22.299 1.289 -11.034 1.00 41.14 N ATOM 1114 CA VAL A 69 22.254 0.936 -9.620 1.00 44.24 C ATOM 1115 C VAL A 69 22.695 -0.506 -9.400 1.00 23.50 C ATOM 1116 O VAL A 69 22.108 -1.437 -9.951 1.00 74.24 O ATOM 1117 CB VAL A 69 20.840 1.124 -9.040 1.00 23.34 C ATOM 1118 CG1 VAL A 69 20.867 1.011 -7.523 1.00 14.31 C ATOM 1119 CG2 VAL A 69 20.260 2.461 -9.473 1.00 53.23 C ATOM 0 H VAL A 69 21.390 1.295 -11.496 1.00 41.14 H new ATOM 0 HA VAL A 69 22.942 1.606 -9.104 1.00 44.24 H new ATOM 0 HB VAL A 69 20.198 0.333 -9.428 1.00 23.34 H new ATOM 0 HG11 VAL A 69 19.859 1.146 -7.130 1.00 14.31 H new ATOM 0 HG12 VAL A 69 21.238 0.027 -7.238 1.00 14.31 H new ATOM 0 HG13 VAL A 69 21.523 1.779 -7.113 1.00 14.31 H new ATOM 0 HG21 VAL A 69 19.260 2.577 -9.054 1.00 53.23 H new ATOM 0 HG22 VAL A 69 20.899 3.268 -9.115 1.00 53.23 H new ATOM 0 HG23 VAL A 69 20.204 2.498 -10.561 1.00 53.23 H new ATOM 1129 N ASP A 70 23.733 -0.685 -8.590 1.00 41.21 N ATOM 1130 CA ASP A 70 24.253 -2.015 -8.295 1.00 13.13 C ATOM 1131 C ASP A 70 23.565 -2.607 -7.068 1.00 40.04 C ATOM 1132 O ASP A 70 24.003 -3.623 -6.527 1.00 13.21 O ATOM 1133 CB ASP A 70 25.764 -1.957 -8.069 1.00 3.33 C ATOM 1134 CG ASP A 70 26.547 -2.055 -9.363 1.00 44.21 C ATOM 1135 OD1 ASP A 70 25.990 -1.697 -10.422 1.00 65.35 O ATOM 1136 OD2 ASP A 70 27.717 -2.488 -9.317 1.00 24.32 O ATOM 0 H ASP A 70 24.231 0.075 -8.126 1.00 41.21 H new ATOM 0 HA ASP A 70 24.046 -2.657 -9.151 1.00 13.13 H new ATOM 0 HB2 ASP A 70 26.017 -1.025 -7.564 1.00 3.33 H new ATOM 0 HB3 ASP A 70 26.061 -2.770 -7.406 1.00 3.33 H new ATOM 1141 N THR A 71 22.485 -1.964 -6.634 1.00 24.44 N ATOM 1142 CA THR A 71 21.738 -2.425 -5.470 1.00 64.52 C ATOM 1143 C THR A 71 22.674 -2.776 -4.319 1.00 64.44 C ATOM 1144 O THR A 71 22.404 -3.694 -3.544 1.00 12.31 O ATOM 1145 CB THR A 71 20.875 -3.656 -5.808 1.00 41.42 C ATOM 1146 OG1 THR A 71 21.581 -4.516 -6.709 1.00 75.52 O ATOM 1147 CG2 THR A 71 19.553 -3.234 -6.432 1.00 22.21 C ATOM 0 H THR A 71 22.108 -1.123 -7.071 1.00 24.44 H new ATOM 0 HA THR A 71 21.087 -1.605 -5.168 1.00 64.52 H new ATOM 0 HB THR A 71 20.667 -4.193 -4.882 1.00 41.42 H new ATOM 0 HG1 THR A 71 21.030 -5.301 -6.911 1.00 75.52 H new ATOM 0 HG21 THR A 71 18.960 -4.119 -6.662 1.00 22.21 H new ATOM 0 HG22 THR A 71 19.005 -2.603 -5.732 1.00 22.21 H new ATOM 0 HG23 THR A 71 19.745 -2.677 -7.349 1.00 22.21 H new ATOM 1155 N TYR A 72 23.776 -2.041 -4.214 1.00 34.14 N ATOM 1156 CA TYR A 72 24.753 -2.276 -3.158 1.00 21.34 C ATOM 1157 C TYR A 72 24.643 -1.215 -2.067 1.00 71.10 C ATOM 1158 O TYR A 72 24.477 -1.534 -0.889 1.00 44.25 O ATOM 1159 CB TYR A 72 26.169 -2.283 -3.737 1.00 32.44 C ATOM 1160 CG TYR A 72 27.254 -2.291 -2.683 1.00 73.05 C ATOM 1161 CD1 TYR A 72 27.221 -3.197 -1.631 1.00 24.12 C ATOM 1162 CD2 TYR A 72 28.312 -1.392 -2.742 1.00 30.30 C ATOM 1163 CE1 TYR A 72 28.210 -3.207 -0.666 1.00 41.21 C ATOM 1164 CE2 TYR A 72 29.306 -1.396 -1.782 1.00 51.15 C ATOM 1165 CZ TYR A 72 29.250 -2.305 -0.746 1.00 43.44 C ATOM 1166 OH TYR A 72 30.238 -2.312 0.212 1.00 71.11 O ATOM 0 H TYR A 72 24.015 -1.278 -4.847 1.00 34.14 H new ATOM 0 HA TYR A 72 24.544 -3.250 -2.715 1.00 21.34 H new ATOM 0 HB2 TYR A 72 26.287 -3.159 -4.375 1.00 32.44 H new ATOM 0 HB3 TYR A 72 26.297 -1.406 -4.372 1.00 32.44 H new ATOM 0 HD1 TYR A 72 26.409 -3.906 -1.566 1.00 24.12 H new ATOM 0 HD2 TYR A 72 28.358 -0.678 -3.551 1.00 30.30 H new ATOM 0 HE1 TYR A 72 28.169 -3.917 0.146 1.00 41.21 H new ATOM 0 HE2 TYR A 72 30.122 -0.691 -1.843 1.00 51.15 H new ATOM 0 HH TYR A 72 30.896 -1.615 0.008 1.00 71.11 H new ATOM 1176 N ASP A 73 24.735 0.048 -2.468 1.00 64.25 N ATOM 1177 CA ASP A 73 24.645 1.158 -1.527 1.00 75.02 C ATOM 1178 C ASP A 73 23.268 1.203 -0.872 1.00 13.42 C ATOM 1179 O ASP A 73 22.258 1.425 -1.541 1.00 1.14 O ATOM 1180 CB ASP A 73 24.929 2.482 -2.238 1.00 74.02 C ATOM 1181 CG ASP A 73 25.864 3.375 -1.447 1.00 11.01 C ATOM 1182 OD1 ASP A 73 25.501 3.760 -0.315 1.00 64.23 O ATOM 1183 OD2 ASP A 73 26.959 3.688 -1.959 1.00 12.41 O ATOM 0 H ASP A 73 24.872 0.329 -3.439 1.00 64.25 H new ATOM 0 HA ASP A 73 25.393 1.005 -0.749 1.00 75.02 H new ATOM 0 HB2 ASP A 73 25.366 2.279 -3.216 1.00 74.02 H new ATOM 0 HB3 ASP A 73 23.990 3.007 -2.411 1.00 74.02 H new ATOM 1188 N ARG A 74 23.235 0.991 0.440 1.00 40.13 N ATOM 1189 CA ARG A 74 21.982 1.006 1.185 1.00 61.40 C ATOM 1190 C ARG A 74 21.197 2.284 0.904 1.00 23.24 C ATOM 1191 O ARG A 74 19.969 2.295 0.968 1.00 14.24 O ATOM 1192 CB ARG A 74 22.255 0.881 2.685 1.00 32.21 C ATOM 1193 CG ARG A 74 22.793 2.155 3.314 1.00 10.44 C ATOM 1194 CD ARG A 74 24.228 2.423 2.889 1.00 3.54 C ATOM 1195 NE ARG A 74 25.082 1.254 3.078 1.00 64.13 N ATOM 1196 CZ ARG A 74 26.254 1.094 2.472 1.00 11.32 C ATOM 1197 NH1 ARG A 74 26.708 2.025 1.644 1.00 23.05 N ATOM 1198 NH2 ARG A 74 26.974 0.002 2.695 1.00 73.03 N ATOM 0 H ARG A 74 24.062 0.807 1.009 1.00 40.13 H new ATOM 0 HA ARG A 74 21.384 0.155 0.859 1.00 61.40 H new ATOM 0 HB2 ARG A 74 21.332 0.597 3.191 1.00 32.21 H new ATOM 0 HB3 ARG A 74 22.970 0.075 2.850 1.00 32.21 H new ATOM 0 HG2 ARG A 74 22.164 2.998 3.027 1.00 10.44 H new ATOM 0 HG3 ARG A 74 22.743 2.075 4.400 1.00 10.44 H new ATOM 0 HD2 ARG A 74 24.246 2.719 1.840 1.00 3.54 H new ATOM 0 HD3 ARG A 74 24.626 3.259 3.464 1.00 3.54 H new ATOM 0 HE ARG A 74 24.762 0.520 3.710 1.00 64.13 H new ATOM 0 HH11 ARG A 74 26.157 2.866 1.471 1.00 23.05 H new ATOM 0 HH12 ARG A 74 27.608 1.900 1.180 1.00 23.05 H new ATOM 0 HH21 ARG A 74 26.628 -0.716 3.332 1.00 73.03 H new ATOM 0 HH22 ARG A 74 27.873 -0.120 2.229 1.00 73.03 H new ATOM 1212 N GLU A 75 21.917 3.358 0.594 1.00 33.21 N ATOM 1213 CA GLU A 75 21.287 4.641 0.305 1.00 30.14 C ATOM 1214 C GLU A 75 20.473 4.570 -0.984 1.00 21.25 C ATOM 1215 O GLU A 75 19.315 4.985 -1.021 1.00 61.43 O ATOM 1216 CB GLU A 75 22.346 5.740 0.193 1.00 74.00 C ATOM 1217 CG GLU A 75 22.655 6.425 1.514 1.00 73.33 C ATOM 1218 CD GLU A 75 23.715 7.500 1.379 1.00 3.11 C ATOM 1219 OE1 GLU A 75 23.547 8.397 0.527 1.00 15.44 O ATOM 1220 OE2 GLU A 75 24.714 7.444 2.127 1.00 64.15 O ATOM 0 H GLU A 75 22.935 3.365 0.537 1.00 33.21 H new ATOM 0 HA GLU A 75 20.612 4.879 1.127 1.00 30.14 H new ATOM 0 HB2 GLU A 75 23.264 5.309 -0.206 1.00 74.00 H new ATOM 0 HB3 GLU A 75 22.007 6.488 -0.524 1.00 74.00 H new ATOM 0 HG2 GLU A 75 21.742 6.868 1.912 1.00 73.33 H new ATOM 0 HG3 GLU A 75 22.988 5.680 2.236 1.00 73.33 H new ATOM 1227 N GLN A 76 21.089 4.042 -2.037 1.00 35.34 N ATOM 1228 CA GLN A 76 20.422 3.917 -3.327 1.00 52.44 C ATOM 1229 C GLN A 76 19.216 2.988 -3.230 1.00 42.42 C ATOM 1230 O GLN A 76 18.093 3.377 -3.550 1.00 14.15 O ATOM 1231 CB GLN A 76 21.399 3.395 -4.382 1.00 3.32 C ATOM 1232 CG GLN A 76 22.576 4.325 -4.634 1.00 74.51 C ATOM 1233 CD GLN A 76 23.238 4.077 -5.975 1.00 20.40 C ATOM 1234 OE1 GLN A 76 22.949 4.759 -6.959 1.00 21.53 O ATOM 1235 NE2 GLN A 76 24.133 3.097 -6.021 1.00 72.53 N ATOM 0 H GLN A 76 22.048 3.694 -2.022 1.00 35.34 H new ATOM 0 HA GLN A 76 20.072 4.906 -3.623 1.00 52.44 H new ATOM 0 HB2 GLN A 76 21.776 2.422 -4.066 1.00 3.32 H new ATOM 0 HB3 GLN A 76 20.862 3.240 -5.318 1.00 3.32 H new ATOM 0 HG2 GLN A 76 22.234 5.359 -4.588 1.00 74.51 H new ATOM 0 HG3 GLN A 76 23.312 4.197 -3.840 1.00 74.51 H new ATOM 0 HE21 GLN A 76 24.342 2.557 -5.181 1.00 72.53 H new ATOM 0 HE22 GLN A 76 24.612 2.884 -6.896 1.00 72.53 H new ATOM 1244 N VAL A 77 19.457 1.758 -2.787 1.00 42.44 N ATOM 1245 CA VAL A 77 18.391 0.774 -2.647 1.00 61.34 C ATOM 1246 C VAL A 77 17.254 1.313 -1.786 1.00 44.15 C ATOM 1247 O VAL A 77 16.091 0.966 -1.989 1.00 1.54 O ATOM 1248 CB VAL A 77 18.914 -0.535 -2.027 1.00 21.33 C ATOM 1249 CG1 VAL A 77 18.948 -0.431 -0.510 1.00 12.24 C ATOM 1250 CG2 VAL A 77 18.059 -1.713 -2.469 1.00 63.14 C ATOM 0 H VAL A 77 20.381 1.420 -2.519 1.00 42.44 H new ATOM 0 HA VAL A 77 18.017 0.568 -3.650 1.00 61.34 H new ATOM 0 HB VAL A 77 19.932 -0.702 -2.379 1.00 21.33 H new ATOM 0 HG11 VAL A 77 19.320 -1.365 -0.090 1.00 12.24 H new ATOM 0 HG12 VAL A 77 19.606 0.387 -0.216 1.00 12.24 H new ATOM 0 HG13 VAL A 77 17.942 -0.240 -0.136 1.00 12.24 H new ATOM 0 HG21 VAL A 77 18.443 -2.630 -2.021 1.00 63.14 H new ATOM 0 HG22 VAL A 77 17.029 -1.556 -2.148 1.00 63.14 H new ATOM 0 HG23 VAL A 77 18.091 -1.799 -3.555 1.00 63.14 H new ATOM 1260 N MET A 78 17.600 2.164 -0.826 1.00 33.24 N ATOM 1261 CA MET A 78 16.607 2.753 0.066 1.00 62.12 C ATOM 1262 C MET A 78 15.695 3.711 -0.694 1.00 1.14 C ATOM 1263 O MET A 78 14.471 3.582 -0.655 1.00 23.22 O ATOM 1264 CB MET A 78 17.297 3.490 1.216 1.00 53.15 C ATOM 1265 CG MET A 78 17.440 2.652 2.476 1.00 53.23 C ATOM 1266 SD MET A 78 17.998 3.618 3.892 1.00 21.13 S ATOM 1267 CE MET A 78 19.750 3.247 3.886 1.00 63.44 C ATOM 0 H MET A 78 18.559 2.461 -0.646 1.00 33.24 H new ATOM 0 HA MET A 78 15.998 1.947 0.475 1.00 62.12 H new ATOM 0 HB2 MET A 78 18.286 3.811 0.889 1.00 53.15 H new ATOM 0 HB3 MET A 78 16.730 4.391 1.451 1.00 53.15 H new ATOM 0 HG2 MET A 78 16.481 2.190 2.711 1.00 53.23 H new ATOM 0 HG3 MET A 78 18.147 1.843 2.292 1.00 53.23 H new ATOM 0 HE1 MET A 78 20.149 3.359 4.894 1.00 63.44 H new ATOM 0 HE2 MET A 78 19.904 2.223 3.547 1.00 63.44 H new ATOM 0 HE3 MET A 78 20.265 3.933 3.213 1.00 63.44 H new ATOM 1277 N LYS A 79 16.298 4.673 -1.384 1.00 3.02 N ATOM 1278 CA LYS A 79 15.541 5.653 -2.153 1.00 42.14 C ATOM 1279 C LYS A 79 14.652 4.966 -3.185 1.00 20.33 C ATOM 1280 O LYS A 79 13.539 5.417 -3.457 1.00 62.05 O ATOM 1281 CB LYS A 79 16.492 6.628 -2.852 1.00 73.35 C ATOM 1282 CG LYS A 79 17.358 7.425 -1.893 1.00 43.45 C ATOM 1283 CD LYS A 79 18.697 7.783 -2.517 1.00 52.25 C ATOM 1284 CE LYS A 79 19.455 8.792 -1.669 1.00 43.31 C ATOM 1285 NZ LYS A 79 20.486 9.519 -2.461 1.00 12.41 N ATOM 0 H LYS A 79 17.310 4.795 -1.426 1.00 3.02 H new ATOM 0 HA LYS A 79 14.905 6.207 -1.463 1.00 42.14 H new ATOM 0 HB2 LYS A 79 17.136 6.070 -3.532 1.00 73.35 H new ATOM 0 HB3 LYS A 79 15.908 7.318 -3.461 1.00 73.35 H new ATOM 0 HG2 LYS A 79 16.836 8.336 -1.602 1.00 43.45 H new ATOM 0 HG3 LYS A 79 17.522 6.847 -0.984 1.00 43.45 H new ATOM 0 HD2 LYS A 79 19.298 6.881 -2.635 1.00 52.25 H new ATOM 0 HD3 LYS A 79 18.537 8.192 -3.515 1.00 52.25 H new ATOM 0 HE2 LYS A 79 18.753 9.508 -1.243 1.00 43.31 H new ATOM 0 HE3 LYS A 79 19.933 8.279 -0.835 1.00 43.31 H new ATOM 0 HZ1 LYS A 79 20.981 10.197 -1.847 1.00 12.41 H new ATOM 0 HZ2 LYS A 79 21.171 8.838 -2.847 1.00 12.41 H new ATOM 0 HZ3 LYS A 79 20.027 10.030 -3.242 1.00 12.41 H new ATOM 1299 N ILE A 80 15.149 3.872 -3.753 1.00 42.51 N ATOM 1300 CA ILE A 80 14.398 3.122 -4.752 1.00 1.40 C ATOM 1301 C ILE A 80 13.176 2.454 -4.133 1.00 34.44 C ATOM 1302 O ILE A 80 12.061 2.584 -4.639 1.00 71.14 O ATOM 1303 CB ILE A 80 15.273 2.047 -5.424 1.00 15.15 C ATOM 1304 CG1 ILE A 80 16.487 2.692 -6.094 1.00 42.12 C ATOM 1305 CG2 ILE A 80 14.457 1.259 -6.438 1.00 22.24 C ATOM 1306 CD1 ILE A 80 17.637 1.733 -6.313 1.00 55.42 C ATOM 0 H ILE A 80 16.068 3.486 -3.538 1.00 42.51 H new ATOM 0 HA ILE A 80 14.074 3.838 -5.507 1.00 1.40 H new ATOM 0 HB ILE A 80 15.629 1.358 -4.658 1.00 15.15 H new ATOM 0 HG12 ILE A 80 16.183 3.108 -7.055 1.00 42.12 H new ATOM 0 HG13 ILE A 80 16.831 3.525 -5.480 1.00 42.12 H new ATOM 0 HG21 ILE A 80 15.089 0.503 -6.905 1.00 22.24 H new ATOM 0 HG22 ILE A 80 13.622 0.773 -5.934 1.00 22.24 H new ATOM 0 HG23 ILE A 80 14.075 1.936 -7.203 1.00 22.24 H new ATOM 0 HD11 ILE A 80 18.463 2.259 -6.792 1.00 55.42 H new ATOM 0 HD12 ILE A 80 17.967 1.336 -5.353 1.00 55.42 H new ATOM 0 HD13 ILE A 80 17.310 0.913 -6.952 1.00 55.42 H new ATOM 1318 N ILE A 81 13.392 1.739 -3.034 1.00 2.15 N ATOM 1319 CA ILE A 81 12.307 1.052 -2.343 1.00 45.43 C ATOM 1320 C ILE A 81 11.313 2.048 -1.756 1.00 33.44 C ATOM 1321 O ILE A 81 10.108 1.795 -1.729 1.00 62.21 O ATOM 1322 CB ILE A 81 12.840 0.150 -1.215 1.00 65.41 C ATOM 1323 CG1 ILE A 81 13.719 -0.962 -1.794 1.00 15.04 C ATOM 1324 CG2 ILE A 81 11.686 -0.440 -0.419 1.00 21.23 C ATOM 1325 CD1 ILE A 81 14.484 -1.736 -0.743 1.00 53.01 C ATOM 0 H ILE A 81 14.309 1.620 -2.603 1.00 2.15 H new ATOM 0 HA ILE A 81 11.802 0.432 -3.084 1.00 45.43 H new ATOM 0 HB ILE A 81 13.448 0.755 -0.542 1.00 65.41 H new ATOM 0 HG12 ILE A 81 13.092 -1.653 -2.358 1.00 15.04 H new ATOM 0 HG13 ILE A 81 14.426 -0.525 -2.499 1.00 15.04 H new ATOM 0 HG21 ILE A 81 12.079 -1.075 0.375 1.00 21.23 H new ATOM 0 HG22 ILE A 81 11.097 0.366 0.019 1.00 21.23 H new ATOM 0 HG23 ILE A 81 11.054 -1.034 -1.080 1.00 21.23 H new ATOM 0 HD11 ILE A 81 15.085 -2.507 -1.225 1.00 53.01 H new ATOM 0 HD12 ILE A 81 15.137 -1.057 -0.194 1.00 53.01 H new ATOM 0 HD13 ILE A 81 13.782 -2.202 -0.052 1.00 53.01 H new ATOM 1337 N ASP A 82 11.825 3.180 -1.287 1.00 54.40 N ATOM 1338 CA ASP A 82 10.981 4.216 -0.702 1.00 40.21 C ATOM 1339 C ASP A 82 10.151 4.912 -1.776 1.00 41.14 C ATOM 1340 O ASP A 82 8.932 5.023 -1.656 1.00 55.14 O ATOM 1341 CB ASP A 82 11.838 5.242 0.042 1.00 72.30 C ATOM 1342 CG ASP A 82 11.019 6.399 0.580 1.00 43.05 C ATOM 1343 OD1 ASP A 82 9.992 6.142 1.242 1.00 52.43 O ATOM 1344 OD2 ASP A 82 11.407 7.561 0.339 1.00 54.42 O ATOM 0 H ASP A 82 12.820 3.404 -1.300 1.00 54.40 H new ATOM 0 HA ASP A 82 10.302 3.740 0.005 1.00 40.21 H new ATOM 0 HB2 ASP A 82 12.353 4.751 0.867 1.00 72.30 H new ATOM 0 HB3 ASP A 82 12.606 5.626 -0.630 1.00 72.30 H new ATOM 1349 N GLU A 83 10.822 5.380 -2.825 1.00 34.51 N ATOM 1350 CA GLU A 83 10.145 6.066 -3.919 1.00 1.30 C ATOM 1351 C GLU A 83 9.088 5.168 -4.554 1.00 71.14 C ATOM 1352 O GLU A 83 7.928 5.557 -4.691 1.00 73.32 O ATOM 1353 CB GLU A 83 11.158 6.508 -4.977 1.00 61.45 C ATOM 1354 CG GLU A 83 11.943 7.749 -4.589 1.00 12.33 C ATOM 1355 CD GLU A 83 11.055 8.963 -4.391 1.00 72.44 C ATOM 1356 OE1 GLU A 83 10.327 9.326 -5.339 1.00 10.25 O ATOM 1357 OE2 GLU A 83 11.088 9.548 -3.289 1.00 10.23 O ATOM 0 H GLU A 83 11.832 5.296 -2.940 1.00 34.51 H new ATOM 0 HA GLU A 83 9.649 6.947 -3.510 1.00 1.30 H new ATOM 0 HB2 GLU A 83 11.855 5.691 -5.163 1.00 61.45 H new ATOM 0 HB3 GLU A 83 10.633 6.699 -5.913 1.00 61.45 H new ATOM 0 HG2 GLU A 83 12.494 7.553 -3.669 1.00 12.33 H new ATOM 0 HG3 GLU A 83 12.680 7.965 -5.363 1.00 12.33 H new ATOM 1364 N PHE A 84 9.498 3.964 -4.941 1.00 54.54 N ATOM 1365 CA PHE A 84 8.587 3.011 -5.564 1.00 21.51 C ATOM 1366 C PHE A 84 7.543 2.523 -4.564 1.00 23.54 C ATOM 1367 O PHE A 84 6.525 1.944 -4.943 1.00 61.13 O ATOM 1368 CB PHE A 84 9.368 1.820 -6.125 1.00 55.13 C ATOM 1369 CG PHE A 84 9.988 2.089 -7.467 1.00 32.14 C ATOM 1370 CD1 PHE A 84 11.074 2.941 -7.584 1.00 52.22 C ATOM 1371 CD2 PHE A 84 9.484 1.489 -8.610 1.00 4.40 C ATOM 1372 CE1 PHE A 84 11.647 3.190 -8.817 1.00 2.40 C ATOM 1373 CE2 PHE A 84 10.054 1.734 -9.845 1.00 51.52 C ATOM 1374 CZ PHE A 84 11.136 2.587 -9.949 1.00 72.10 C ATOM 0 H PHE A 84 10.454 3.626 -4.834 1.00 54.54 H new ATOM 0 HA PHE A 84 8.073 3.518 -6.381 1.00 21.51 H new ATOM 0 HB2 PHE A 84 10.152 1.545 -5.420 1.00 55.13 H new ATOM 0 HB3 PHE A 84 8.699 0.963 -6.208 1.00 55.13 H new ATOM 0 HD1 PHE A 84 11.477 3.416 -6.702 1.00 52.22 H new ATOM 0 HD2 PHE A 84 8.637 0.823 -8.535 1.00 4.40 H new ATOM 0 HE1 PHE A 84 12.494 3.856 -8.895 1.00 2.40 H new ATOM 0 HE2 PHE A 84 9.654 1.259 -10.728 1.00 51.52 H new ATOM 0 HZ PHE A 84 11.581 2.782 -10.914 1.00 72.10 H new ATOM 1384 N LYS A 85 7.804 2.760 -3.283 1.00 21.35 N ATOM 1385 CA LYS A 85 6.889 2.346 -2.226 1.00 12.15 C ATOM 1386 C LYS A 85 6.709 0.831 -2.223 1.00 40.43 C ATOM 1387 O LYS A 85 5.587 0.330 -2.298 1.00 53.42 O ATOM 1388 CB LYS A 85 5.532 3.031 -2.401 1.00 13.21 C ATOM 1389 CG LYS A 85 5.619 4.546 -2.465 1.00 12.35 C ATOM 1390 CD LYS A 85 5.713 5.158 -1.077 1.00 14.22 C ATOM 1391 CE LYS A 85 5.706 6.678 -1.136 1.00 50.03 C ATOM 1392 NZ LYS A 85 7.048 7.226 -1.477 1.00 22.40 N ATOM 0 H LYS A 85 8.642 3.237 -2.952 1.00 21.35 H new ATOM 0 HA LYS A 85 7.320 2.644 -1.270 1.00 12.15 H new ATOM 0 HB2 LYS A 85 5.064 2.663 -3.314 1.00 13.21 H new ATOM 0 HB3 LYS A 85 4.882 2.747 -1.573 1.00 13.21 H new ATOM 0 HG2 LYS A 85 6.490 4.837 -3.052 1.00 12.35 H new ATOM 0 HG3 LYS A 85 4.742 4.940 -2.979 1.00 12.35 H new ATOM 0 HD2 LYS A 85 4.877 4.813 -0.469 1.00 14.22 H new ATOM 0 HD3 LYS A 85 6.625 4.816 -0.589 1.00 14.22 H new ATOM 0 HE2 LYS A 85 4.979 7.009 -1.878 1.00 50.03 H new ATOM 0 HE3 LYS A 85 5.384 7.077 -0.174 1.00 50.03 H new ATOM 0 HZ1 LYS A 85 7.348 7.895 -0.739 1.00 22.40 H new ATOM 0 HZ2 LYS A 85 7.735 6.448 -1.539 1.00 22.40 H new ATOM 0 HZ3 LYS A 85 7.000 7.719 -2.391 1.00 22.40 H new ATOM 1406 N ILE A 86 7.820 0.108 -2.136 1.00 3.43 N ATOM 1407 CA ILE A 86 7.784 -1.349 -2.121 1.00 51.31 C ATOM 1408 C ILE A 86 7.480 -1.877 -0.723 1.00 53.13 C ATOM 1409 O ILE A 86 8.088 -1.470 0.267 1.00 35.00 O ATOM 1410 CB ILE A 86 9.116 -1.950 -2.606 1.00 42.02 C ATOM 1411 CG1 ILE A 86 9.578 -1.254 -3.888 1.00 63.11 C ATOM 1412 CG2 ILE A 86 8.970 -3.447 -2.833 1.00 21.30 C ATOM 1413 CD1 ILE A 86 10.912 -1.753 -4.399 1.00 54.25 C ATOM 0 H ILE A 86 8.757 0.507 -2.075 1.00 3.43 H new ATOM 0 HA ILE A 86 6.989 -1.652 -2.802 1.00 51.31 H new ATOM 0 HB ILE A 86 9.871 -1.791 -1.836 1.00 42.02 H new ATOM 0 HG12 ILE A 86 8.824 -1.398 -4.662 1.00 63.11 H new ATOM 0 HG13 ILE A 86 9.646 -0.182 -3.705 1.00 63.11 H new ATOM 0 HG21 ILE A 86 9.920 -3.857 -3.176 1.00 21.30 H new ATOM 0 HG22 ILE A 86 8.682 -3.930 -1.899 1.00 21.30 H new ATOM 0 HG23 ILE A 86 8.204 -3.628 -3.587 1.00 21.30 H new ATOM 0 HD11 ILE A 86 11.177 -1.216 -5.310 1.00 54.25 H new ATOM 0 HD12 ILE A 86 11.678 -1.584 -3.642 1.00 54.25 H new ATOM 0 HD13 ILE A 86 10.844 -2.819 -4.614 1.00 54.25 H new ATOM 1425 N PRO A 87 6.517 -2.807 -0.639 1.00 21.21 N ATOM 1426 CA PRO A 87 6.112 -3.414 0.633 1.00 54.44 C ATOM 1427 C PRO A 87 7.186 -4.332 1.205 1.00 35.23 C ATOM 1428 O PRO A 87 8.100 -4.753 0.496 1.00 24.24 O ATOM 1429 CB PRO A 87 4.863 -4.217 0.260 1.00 24.50 C ATOM 1430 CG PRO A 87 5.025 -4.517 -1.190 1.00 73.23 C ATOM 1431 CD PRO A 87 5.751 -3.339 -1.778 1.00 52.04 C ATOM 0 HA PRO A 87 5.939 -2.665 1.406 1.00 54.44 H new ATOM 0 HB2 PRO A 87 4.790 -5.132 0.848 1.00 24.50 H new ATOM 0 HB3 PRO A 87 3.954 -3.645 0.447 1.00 24.50 H new ATOM 0 HG2 PRO A 87 5.591 -5.437 -1.337 1.00 73.23 H new ATOM 0 HG3 PRO A 87 4.057 -4.658 -1.670 1.00 73.23 H new ATOM 0 HD2 PRO A 87 6.405 -3.638 -2.597 1.00 52.04 H new ATOM 0 HD3 PRO A 87 5.058 -2.598 -2.177 1.00 52.04 H new ATOM 1439 N THR A 88 7.069 -4.641 2.493 1.00 13.22 N ATOM 1440 CA THR A 88 8.030 -5.509 3.161 1.00 32.12 C ATOM 1441 C THR A 88 7.501 -6.935 3.268 1.00 64.04 C ATOM 1442 O THR A 88 6.338 -7.201 2.965 1.00 62.05 O ATOM 1443 CB THR A 88 8.368 -4.992 4.572 1.00 34.45 C ATOM 1444 OG1 THR A 88 7.797 -3.694 4.768 1.00 2.41 O ATOM 1445 CG2 THR A 88 9.873 -4.927 4.779 1.00 44.23 C ATOM 0 H THR A 88 6.318 -4.303 3.094 1.00 13.22 H new ATOM 0 HA THR A 88 8.935 -5.505 2.554 1.00 32.12 H new ATOM 0 HB THR A 88 7.948 -5.686 5.299 1.00 34.45 H new ATOM 0 HG1 THR A 88 8.015 -3.373 5.668 1.00 2.41 H new ATOM 0 HG21 THR A 88 10.087 -4.559 5.783 1.00 44.23 H new ATOM 0 HG22 THR A 88 10.300 -5.923 4.659 1.00 44.23 H new ATOM 0 HG23 THR A 88 10.313 -4.253 4.044 1.00 44.23 H new ATOM 1453 N VAL A 89 8.363 -7.850 3.701 1.00 41.13 N ATOM 1454 CA VAL A 89 7.982 -9.249 3.849 1.00 61.41 C ATOM 1455 C VAL A 89 6.711 -9.388 4.679 1.00 52.12 C ATOM 1456 O VAL A 89 5.741 -10.010 4.246 1.00 10.35 O ATOM 1457 CB VAL A 89 9.106 -10.070 4.510 1.00 14.10 C ATOM 1458 CG1 VAL A 89 8.665 -11.511 4.714 1.00 20.40 C ATOM 1459 CG2 VAL A 89 10.375 -10.005 3.674 1.00 11.21 C ATOM 0 H VAL A 89 9.330 -7.647 3.955 1.00 41.13 H new ATOM 0 HA VAL A 89 7.801 -9.635 2.846 1.00 61.41 H new ATOM 0 HB VAL A 89 9.320 -9.639 5.488 1.00 14.10 H new ATOM 0 HG11 VAL A 89 9.472 -12.076 5.182 1.00 20.40 H new ATOM 0 HG12 VAL A 89 7.785 -11.535 5.357 1.00 20.40 H new ATOM 0 HG13 VAL A 89 8.422 -11.957 3.750 1.00 20.40 H new ATOM 0 HG21 VAL A 89 11.158 -10.590 4.156 1.00 11.21 H new ATOM 0 HG22 VAL A 89 10.178 -10.410 2.681 1.00 11.21 H new ATOM 0 HG23 VAL A 89 10.699 -8.968 3.585 1.00 11.21 H new ATOM 1469 N GLU A 90 6.723 -8.804 5.873 1.00 43.42 N ATOM 1470 CA GLU A 90 5.570 -8.863 6.764 1.00 43.35 C ATOM 1471 C GLU A 90 4.301 -8.423 6.040 1.00 73.52 C ATOM 1472 O GLU A 90 3.292 -9.129 6.052 1.00 64.04 O ATOM 1473 CB GLU A 90 5.801 -7.980 7.992 1.00 23.42 C ATOM 1474 CG GLU A 90 6.709 -8.613 9.034 1.00 43.35 C ATOM 1475 CD GLU A 90 6.898 -7.733 10.254 1.00 31.23 C ATOM 1476 OE1 GLU A 90 6.932 -6.495 10.093 1.00 21.11 O ATOM 1477 OE2 GLU A 90 7.011 -8.282 11.370 1.00 65.20 O ATOM 0 H GLU A 90 7.518 -8.285 6.246 1.00 43.42 H new ATOM 0 HA GLU A 90 5.445 -9.897 7.087 1.00 43.35 H new ATOM 0 HB2 GLU A 90 6.235 -7.033 7.672 1.00 23.42 H new ATOM 0 HB3 GLU A 90 4.839 -7.751 8.451 1.00 23.42 H new ATOM 0 HG2 GLU A 90 6.289 -9.571 9.343 1.00 43.35 H new ATOM 0 HG3 GLU A 90 7.681 -8.820 8.586 1.00 43.35 H new ATOM 1484 N GLN A 91 4.359 -7.254 5.412 1.00 42.42 N ATOM 1485 CA GLN A 91 3.214 -6.720 4.684 1.00 10.41 C ATOM 1486 C GLN A 91 2.779 -7.674 3.577 1.00 21.42 C ATOM 1487 O GLN A 91 1.588 -7.924 3.392 1.00 11.30 O ATOM 1488 CB GLN A 91 3.553 -5.352 4.090 1.00 44.42 C ATOM 1489 CG GLN A 91 4.190 -4.396 5.086 1.00 22.42 C ATOM 1490 CD GLN A 91 3.495 -4.410 6.433 1.00 2.25 C ATOM 1491 OE1 GLN A 91 2.294 -4.155 6.528 1.00 3.31 O ATOM 1492 NE2 GLN A 91 4.249 -4.708 7.485 1.00 35.45 N ATOM 0 H GLN A 91 5.187 -6.658 5.392 1.00 42.42 H new ATOM 0 HA GLN A 91 2.389 -6.609 5.387 1.00 10.41 H new ATOM 0 HB2 GLN A 91 4.230 -5.489 3.247 1.00 44.42 H new ATOM 0 HB3 GLN A 91 2.642 -4.900 3.697 1.00 44.42 H new ATOM 0 HG2 GLN A 91 5.239 -4.662 5.219 1.00 22.42 H new ATOM 0 HG3 GLN A 91 4.167 -3.385 4.680 1.00 22.42 H new ATOM 0 HE21 GLN A 91 5.240 -4.913 7.360 1.00 35.45 H new ATOM 0 HE22 GLN A 91 3.837 -4.732 8.418 1.00 35.45 H new ATOM 1501 N TRP A 92 3.752 -8.205 2.845 1.00 54.22 N ATOM 1502 CA TRP A 92 3.469 -9.132 1.755 1.00 34.33 C ATOM 1503 C TRP A 92 2.798 -10.398 2.278 1.00 13.21 C ATOM 1504 O TRP A 92 1.893 -10.941 1.643 1.00 4.13 O ATOM 1505 CB TRP A 92 4.759 -9.492 1.016 1.00 35.13 C ATOM 1506 CG TRP A 92 4.533 -10.363 -0.182 1.00 62.14 C ATOM 1507 CD1 TRP A 92 3.866 -10.027 -1.326 1.00 24.11 C ATOM 1508 CD2 TRP A 92 4.973 -11.715 -0.355 1.00 4.44 C ATOM 1509 NE1 TRP A 92 3.866 -11.088 -2.199 1.00 34.53 N ATOM 1510 CE2 TRP A 92 4.539 -12.135 -1.627 1.00 31.31 C ATOM 1511 CE3 TRP A 92 5.694 -12.609 0.441 1.00 71.51 C ATOM 1512 CZ2 TRP A 92 4.801 -13.411 -2.118 1.00 62.33 C ATOM 1513 CZ3 TRP A 92 5.953 -13.876 -0.048 1.00 41.42 C ATOM 1514 CH2 TRP A 92 5.508 -14.267 -1.318 1.00 45.11 C ATOM 0 H TRP A 92 4.743 -8.010 2.986 1.00 54.22 H new ATOM 0 HA TRP A 92 2.786 -8.641 1.061 1.00 34.33 H new ATOM 0 HB2 TRP A 92 5.257 -8.575 0.701 1.00 35.13 H new ATOM 0 HB3 TRP A 92 5.434 -10.001 1.704 1.00 35.13 H new ATOM 0 HD1 TRP A 92 3.406 -9.068 -1.516 1.00 24.11 H new ATOM 0 HE1 TRP A 92 3.435 -11.095 -3.123 1.00 34.53 H new ATOM 0 HE3 TRP A 92 6.043 -12.316 1.420 1.00 71.51 H new ATOM 0 HZ2 TRP A 92 4.458 -13.715 -3.096 1.00 62.33 H new ATOM 0 HZ3 TRP A 92 6.508 -14.576 0.559 1.00 41.42 H new ATOM 0 HH2 TRP A 92 5.727 -15.263 -1.672 1.00 45.11 H new ATOM 1525 N LYS A 93 3.246 -10.863 3.439 1.00 33.32 N ATOM 1526 CA LYS A 93 2.688 -12.065 4.049 1.00 51.51 C ATOM 1527 C LYS A 93 1.228 -11.850 4.437 1.00 63.32 C ATOM 1528 O LYS A 93 0.355 -12.633 4.061 1.00 1.32 O ATOM 1529 CB LYS A 93 3.502 -12.460 5.283 1.00 12.00 C ATOM 1530 CG LYS A 93 4.942 -12.828 4.970 1.00 51.43 C ATOM 1531 CD LYS A 93 5.082 -14.305 4.642 1.00 13.22 C ATOM 1532 CE LYS A 93 5.377 -14.523 3.166 1.00 4.13 C ATOM 1533 NZ LYS A 93 5.051 -15.910 2.734 1.00 22.23 N ATOM 0 H LYS A 93 3.994 -10.426 3.977 1.00 33.32 H new ATOM 0 HA LYS A 93 2.736 -12.871 3.316 1.00 51.51 H new ATOM 0 HB2 LYS A 93 3.493 -11.633 5.993 1.00 12.00 H new ATOM 0 HB3 LYS A 93 3.018 -13.305 5.772 1.00 12.00 H new ATOM 0 HG2 LYS A 93 5.296 -12.232 4.128 1.00 51.43 H new ATOM 0 HG3 LYS A 93 5.575 -12.582 5.823 1.00 51.43 H new ATOM 0 HD2 LYS A 93 5.883 -14.738 5.242 1.00 13.22 H new ATOM 0 HD3 LYS A 93 4.164 -14.827 4.912 1.00 13.22 H new ATOM 0 HE2 LYS A 93 4.802 -13.813 2.572 1.00 4.13 H new ATOM 0 HE3 LYS A 93 6.430 -14.321 2.972 1.00 4.13 H new ATOM 0 HZ1 LYS A 93 4.821 -15.913 1.720 1.00 22.23 H new ATOM 0 HZ2 LYS A 93 5.870 -16.528 2.905 1.00 22.23 H new ATOM 0 HZ3 LYS A 93 4.235 -16.259 3.275 1.00 22.23 H new ATOM 1547 N ASP A 94 0.971 -10.786 5.189 1.00 50.24 N ATOM 1548 CA ASP A 94 -0.384 -10.467 5.625 1.00 64.30 C ATOM 1549 C ASP A 94 -1.312 -10.287 4.428 1.00 60.51 C ATOM 1550 O ASP A 94 -2.451 -10.753 4.439 1.00 13.45 O ATOM 1551 CB ASP A 94 -0.382 -9.199 6.480 1.00 60.11 C ATOM 1552 CG ASP A 94 -0.166 -9.493 7.951 1.00 33.25 C ATOM 1553 OD1 ASP A 94 -1.145 -9.868 8.632 1.00 64.15 O ATOM 1554 OD2 ASP A 94 0.981 -9.349 8.423 1.00 71.31 O ATOM 0 H ASP A 94 1.683 -10.129 5.510 1.00 50.24 H new ATOM 0 HA ASP A 94 -0.752 -11.300 6.225 1.00 64.30 H new ATOM 0 HB2 ASP A 94 0.401 -8.528 6.128 1.00 60.11 H new ATOM 0 HB3 ASP A 94 -1.330 -8.677 6.352 1.00 60.11 H new ATOM 1559 N GLN A 95 -0.817 -9.609 3.398 1.00 64.11 N ATOM 1560 CA GLN A 95 -1.603 -9.367 2.194 1.00 11.43 C ATOM 1561 C GLN A 95 -1.956 -10.678 1.501 1.00 21.51 C ATOM 1562 O GLN A 95 -3.103 -10.897 1.109 1.00 65.45 O ATOM 1563 CB GLN A 95 -0.835 -8.458 1.232 1.00 33.24 C ATOM 1564 CG GLN A 95 -0.766 -7.010 1.688 1.00 11.42 C ATOM 1565 CD GLN A 95 -1.980 -6.206 1.264 1.00 4.15 C ATOM 1566 OE1 GLN A 95 -2.058 -5.728 0.132 1.00 4.14 O ATOM 1567 NE2 GLN A 95 -2.935 -6.053 2.174 1.00 53.55 N ATOM 0 H GLN A 95 0.125 -9.218 3.373 1.00 64.11 H new ATOM 0 HA GLN A 95 -2.529 -8.873 2.489 1.00 11.43 H new ATOM 0 HB2 GLN A 95 0.178 -8.842 1.114 1.00 33.24 H new ATOM 0 HB3 GLN A 95 -1.308 -8.499 0.251 1.00 33.24 H new ATOM 0 HG2 GLN A 95 -0.676 -6.979 2.774 1.00 11.42 H new ATOM 0 HG3 GLN A 95 0.132 -6.547 1.280 1.00 11.42 H new ATOM 0 HE21 GLN A 95 -2.828 -6.467 3.100 1.00 53.55 H new ATOM 0 HE22 GLN A 95 -3.776 -5.522 1.947 1.00 53.55 H new ATOM 1576 N THR A 96 -0.963 -11.550 1.353 1.00 43.32 N ATOM 1577 CA THR A 96 -1.168 -12.839 0.706 1.00 64.43 C ATOM 1578 C THR A 96 -2.124 -13.712 1.510 1.00 71.31 C ATOM 1579 O THR A 96 -2.889 -14.494 0.945 1.00 31.53 O ATOM 1580 CB THR A 96 0.163 -13.592 0.520 1.00 63.33 C ATOM 1581 OG1 THR A 96 1.006 -13.386 1.659 1.00 70.30 O ATOM 1582 CG2 THR A 96 0.879 -13.124 -0.738 1.00 50.32 C ATOM 0 H THR A 96 -0.008 -11.386 1.673 1.00 43.32 H new ATOM 0 HA THR A 96 -1.602 -12.636 -0.273 1.00 64.43 H new ATOM 0 HB THR A 96 -0.058 -14.655 0.419 1.00 63.33 H new ATOM 0 HG1 THR A 96 0.459 -13.370 2.472 1.00 70.30 H new ATOM 0 HG21 THR A 96 1.816 -13.670 -0.848 1.00 50.32 H new ATOM 0 HG22 THR A 96 0.247 -13.309 -1.607 1.00 50.32 H new ATOM 0 HG23 THR A 96 1.088 -12.057 -0.662 1.00 50.32 H new ATOM 1941 N PHE B -7 9.161 -16.129 5.916 1.00 25.35 N ATOM 1942 CA PHE B -7 10.547 -16.171 5.463 1.00 11.43 C ATOM 1943 C PHE B -7 11.493 -15.700 6.564 1.00 64.31 C ATOM 1944 O PHE B -7 12.184 -16.506 7.189 1.00 44.43 O ATOM 1945 CB PHE B -7 10.724 -15.301 4.217 1.00 62.12 C ATOM 1946 CG PHE B -7 10.124 -15.901 2.977 1.00 2.13 C ATOM 1947 CD1 PHE B -7 8.764 -15.800 2.731 1.00 23.35 C ATOM 1948 CD2 PHE B -7 10.920 -16.565 2.058 1.00 41.32 C ATOM 1949 CE1 PHE B -7 8.210 -16.352 1.592 1.00 33.01 C ATOM 1950 CE2 PHE B -7 10.371 -17.118 0.916 1.00 22.23 C ATOM 1951 CZ PHE B -7 9.014 -17.011 0.683 1.00 43.32 C ATOM 0 H1 PHE B -7 8.529 -16.050 5.094 1.00 25.35 H new ATOM 0 H2 PHE B -7 8.940 -17.000 6.440 1.00 25.35 H new ATOM 0 H3 PHE B -7 9.024 -15.307 6.538 1.00 25.35 H new ATOM 0 HA PHE B -7 10.792 -17.204 5.215 1.00 11.43 H new ATOM 0 HB2 PHE B -7 10.269 -14.327 4.396 1.00 62.12 H new ATOM 0 HB3 PHE B -7 11.788 -15.131 4.051 1.00 62.12 H new ATOM 0 HD1 PHE B -7 8.130 -15.284 3.437 1.00 23.35 H new ATOM 0 HD2 PHE B -7 11.982 -16.652 2.236 1.00 41.32 H new ATOM 0 HE1 PHE B -7 7.148 -16.268 1.413 1.00 33.01 H new ATOM 0 HE2 PHE B -7 11.002 -17.633 0.207 1.00 22.23 H new ATOM 0 HZ PHE B -7 8.582 -17.442 -0.208 1.00 43.32 H new ATOM 1961 N ILE B -6 11.519 -14.392 6.795 1.00 62.14 N ATOM 1962 CA ILE B -6 12.380 -13.814 7.819 1.00 32.45 C ATOM 1963 C ILE B -6 13.840 -14.188 7.586 1.00 53.12 C ATOM 1964 O ILE B -6 14.394 -15.069 8.243 1.00 32.13 O ATOM 1965 CB ILE B -6 11.963 -14.274 9.229 1.00 23.21 C ATOM 1966 CG1 ILE B -6 10.448 -14.155 9.401 1.00 14.00 C ATOM 1967 CG2 ILE B -6 12.688 -13.457 10.288 1.00 31.23 C ATOM 1968 CD1 ILE B -6 9.918 -12.761 9.146 1.00 63.23 C ATOM 0 H ILE B -6 10.953 -13.712 6.287 1.00 62.14 H new ATOM 0 HA ILE B -6 12.270 -12.732 7.750 1.00 32.45 H new ATOM 0 HB ILE B -6 12.242 -15.321 9.351 1.00 23.21 H new ATOM 0 HG12 ILE B -6 9.958 -14.851 8.721 1.00 14.00 H new ATOM 0 HG13 ILE B -6 10.181 -14.457 10.414 1.00 14.00 H new ATOM 0 HG21 ILE B -6 12.383 -13.793 11.279 1.00 31.23 H new ATOM 0 HG22 ILE B -6 13.764 -13.588 10.175 1.00 31.23 H new ATOM 0 HG23 ILE B -6 12.437 -12.403 10.170 1.00 31.23 H new ATOM 0 HD11 ILE B -6 8.837 -12.751 9.286 1.00 63.23 H new ATOM 0 HD12 ILE B -6 10.381 -12.063 9.843 1.00 63.23 H new ATOM 0 HD13 ILE B -6 10.154 -12.463 8.124 1.00 63.23 H new ATOM 1980 N PRO B -5 14.480 -13.501 6.628 1.00 61.31 N ATOM 1981 CA PRO B -5 15.885 -13.742 6.287 1.00 43.53 C ATOM 1982 C PRO B -5 16.836 -13.283 7.387 1.00 13.14 C ATOM 1983 O PRO B -5 17.329 -12.155 7.365 1.00 35.10 O ATOM 1984 CB PRO B -5 16.091 -12.906 5.021 1.00 73.25 C ATOM 1985 CG PRO B -5 15.067 -11.828 5.108 1.00 12.41 C ATOM 1986 CD PRO B -5 13.882 -12.437 5.805 1.00 73.15 C ATOM 0 HA PRO B -5 16.095 -14.803 6.154 1.00 43.53 H new ATOM 0 HB2 PRO B -5 17.099 -12.492 4.979 1.00 73.25 H new ATOM 0 HB3 PRO B -5 15.956 -13.508 4.123 1.00 73.25 H new ATOM 0 HG2 PRO B -5 15.449 -10.971 5.664 1.00 12.41 H new ATOM 0 HG3 PRO B -5 14.794 -11.468 4.116 1.00 12.41 H new ATOM 0 HD2 PRO B -5 13.355 -11.704 6.416 1.00 73.15 H new ATOM 0 HD3 PRO B -5 13.159 -12.837 5.094 1.00 73.15 H new ATOM 1994 N SER B -4 17.089 -14.164 8.349 1.00 23.53 N ATOM 1995 CA SER B -4 17.979 -13.848 9.461 1.00 74.31 C ATOM 1996 C SER B -4 19.439 -14.003 9.049 1.00 44.43 C ATOM 1997 O SER B -4 20.349 -13.755 9.841 1.00 73.20 O ATOM 1998 CB SER B -4 17.676 -14.753 10.657 1.00 61.11 C ATOM 1999 OG SER B -4 18.706 -14.676 11.628 1.00 75.53 O ATOM 0 H SER B -4 16.691 -15.102 8.381 1.00 23.53 H new ATOM 0 HA SER B -4 17.809 -12.810 9.747 1.00 74.31 H new ATOM 0 HB2 SER B -4 16.726 -14.462 11.106 1.00 61.11 H new ATOM 0 HB3 SER B -4 17.567 -15.783 10.319 1.00 61.11 H new ATOM 0 HG SER B -4 19.400 -14.057 11.320 1.00 75.53 H new ATOM 2005 N ARG B -3 19.656 -14.413 7.803 1.00 21.25 N ATOM 2006 CA ARG B -3 21.006 -14.602 7.285 1.00 34.12 C ATOM 2007 C ARG B -3 21.871 -13.376 7.563 1.00 61.53 C ATOM 2008 O ARG B -3 21.375 -12.292 7.867 1.00 52.41 O ATOM 2009 CB ARG B -3 20.963 -14.880 5.781 1.00 1.34 C ATOM 2010 CG ARG B -3 20.932 -16.360 5.436 1.00 55.51 C ATOM 2011 CD ARG B -3 22.111 -16.752 4.560 1.00 74.25 C ATOM 2012 NE ARG B -3 23.127 -17.487 5.307 1.00 25.11 N ATOM 2013 CZ ARG B -3 22.974 -18.740 5.720 1.00 72.31 C ATOM 2014 NH1 ARG B -3 21.851 -19.395 5.459 1.00 52.22 N ATOM 2015 NH2 ARG B -3 23.945 -19.341 6.395 1.00 21.51 N ATOM 0 H ARG B -3 18.915 -14.621 7.134 1.00 21.25 H new ATOM 0 HA ARG B -3 21.448 -15.459 7.793 1.00 34.12 H new ATOM 0 HB2 ARG B -3 20.083 -14.398 5.356 1.00 1.34 H new ATOM 0 HB3 ARG B -3 21.834 -14.424 5.311 1.00 1.34 H new ATOM 0 HG2 ARG B -3 20.947 -16.949 6.353 1.00 55.51 H new ATOM 0 HG3 ARG B -3 20.001 -16.595 4.921 1.00 55.51 H new ATOM 0 HD2 ARG B -3 21.758 -17.364 3.730 1.00 74.25 H new ATOM 0 HD3 ARG B -3 22.556 -15.855 4.129 1.00 74.25 H new ATOM 0 HE ARG B -3 24.003 -17.012 5.524 1.00 25.11 H new ATOM 0 HH11 ARG B -3 21.102 -18.937 4.940 1.00 52.22 H new ATOM 0 HH12 ARG B -3 21.736 -20.357 5.777 1.00 52.22 H new ATOM 0 HH21 ARG B -3 24.811 -18.841 6.598 1.00 21.51 H new ATOM 0 HH22 ARG B -3 23.826 -20.303 6.712 1.00 21.51 H new ATOM 2029 N PRO B -2 23.197 -13.551 7.457 1.00 73.54 N ATOM 2030 CA PRO B -2 24.159 -12.471 7.692 1.00 21.11 C ATOM 2031 C PRO B -2 24.114 -11.406 6.602 1.00 74.34 C ATOM 2032 O PRO B -2 24.517 -10.264 6.819 1.00 65.31 O ATOM 2033 CB PRO B -2 25.510 -13.191 7.681 1.00 40.13 C ATOM 2034 CG PRO B -2 25.284 -14.408 6.852 1.00 52.01 C ATOM 2035 CD PRO B -2 23.858 -14.817 7.098 1.00 70.31 C ATOM 0 HA PRO B -2 23.953 -11.936 8.619 1.00 21.11 H new ATOM 0 HB2 PRO B -2 26.291 -12.561 7.255 1.00 40.13 H new ATOM 0 HB3 PRO B -2 25.827 -13.453 8.690 1.00 40.13 H new ATOM 0 HG2 PRO B -2 25.453 -14.198 5.796 1.00 52.01 H new ATOM 0 HG3 PRO B -2 25.973 -15.205 7.133 1.00 52.01 H new ATOM 0 HD2 PRO B -2 23.410 -15.267 6.212 1.00 70.31 H new ATOM 0 HD3 PRO B -2 23.783 -15.551 7.900 1.00 70.31 H new ATOM 2043 N ALA B -1 23.619 -11.788 5.429 1.00 40.14 N ATOM 2044 CA ALA B -1 23.519 -10.865 4.305 1.00 14.31 C ATOM 2045 C ALA B -1 24.899 -10.416 3.838 1.00 2.13 C ATOM 2046 O ALA B -1 25.400 -9.361 4.228 1.00 24.14 O ATOM 2047 CB ALA B -1 22.671 -9.660 4.686 1.00 74.20 C ATOM 0 H ALA B -1 23.281 -12.730 5.233 1.00 40.14 H new ATOM 0 HA ALA B -1 23.038 -11.389 3.479 1.00 14.31 H new ATOM 0 HB1 ALA B -1 22.605 -8.979 3.838 1.00 74.20 H new ATOM 0 HB2 ALA B -1 21.671 -9.992 4.964 1.00 74.20 H new ATOM 0 HB3 ALA B -1 23.130 -9.145 5.530 1.00 74.20 H new ATOM 2053 N PRO B 0 25.531 -11.234 2.983 1.00 34.14 N ATOM 2054 CA PRO B 0 26.862 -10.942 2.445 1.00 4.32 C ATOM 2055 C PRO B 0 26.849 -9.771 1.468 1.00 74.31 C ATOM 2056 O PRO B 0 25.794 -9.379 0.967 1.00 23.23 O ATOM 2057 CB PRO B 0 27.246 -12.236 1.724 1.00 74.21 C ATOM 2058 CG PRO B 0 25.946 -12.872 1.371 1.00 35.52 C ATOM 2059 CD PRO B 0 24.993 -12.508 2.476 1.00 52.51 C ATOM 0 HA PRO B 0 27.562 -10.651 3.228 1.00 4.32 H new ATOM 0 HB2 PRO B 0 27.842 -12.032 0.834 1.00 74.21 H new ATOM 0 HB3 PRO B 0 27.843 -12.884 2.365 1.00 74.21 H new ATOM 0 HG2 PRO B 0 25.584 -12.511 0.408 1.00 35.52 H new ATOM 0 HG3 PRO B 0 26.051 -13.954 1.287 1.00 35.52 H new ATOM 0 HD2 PRO B 0 23.974 -12.395 2.107 1.00 52.51 H new ATOM 0 HD3 PRO B 0 24.968 -13.272 3.253 1.00 52.51 H new ATOM 2067 N LYS B 1 28.026 -9.217 1.199 1.00 12.34 N ATOM 2068 CA LYS B 1 28.150 -8.092 0.280 1.00 3.33 C ATOM 2069 C LYS B 1 28.620 -8.561 -1.093 1.00 4.40 C ATOM 2070 O LYS B 1 29.180 -9.646 -1.247 1.00 23.33 O ATOM 2071 CB LYS B 1 29.128 -7.056 0.839 1.00 10.44 C ATOM 2072 CG LYS B 1 28.474 -6.034 1.754 1.00 43.24 C ATOM 2073 CD LYS B 1 28.302 -6.576 3.163 1.00 51.14 C ATOM 2074 CE LYS B 1 27.652 -5.550 4.079 1.00 62.23 C ATOM 2075 NZ LYS B 1 26.255 -5.244 3.666 1.00 53.24 N ATOM 0 H LYS B 1 28.908 -9.529 1.605 1.00 12.34 H new ATOM 0 HA LYS B 1 27.167 -7.633 0.171 1.00 3.33 H new ATOM 0 HB2 LYS B 1 29.916 -7.572 1.388 1.00 10.44 H new ATOM 0 HB3 LYS B 1 29.606 -6.535 0.009 1.00 10.44 H new ATOM 0 HG2 LYS B 1 29.081 -5.129 1.783 1.00 43.24 H new ATOM 0 HG3 LYS B 1 27.501 -5.753 1.350 1.00 43.24 H new ATOM 0 HD2 LYS B 1 27.692 -7.479 3.135 1.00 51.14 H new ATOM 0 HD3 LYS B 1 29.274 -6.861 3.566 1.00 51.14 H new ATOM 0 HE2 LYS B 1 27.654 -5.924 5.103 1.00 62.23 H new ATOM 0 HE3 LYS B 1 28.241 -4.633 4.073 1.00 62.23 H new ATOM 0 HZ1 LYS B 1 25.786 -4.690 4.411 1.00 53.24 H new ATOM 0 HZ2 LYS B 1 26.266 -4.695 2.783 1.00 53.24 H new ATOM 0 HZ3 LYS B 1 25.735 -6.132 3.515 1.00 53.24 H new ATOM 2089 N PRO B 2 28.390 -7.724 -2.116 1.00 20.02 N ATOM 2090 CA PRO B 2 28.784 -8.031 -3.494 1.00 22.21 C ATOM 2091 C PRO B 2 30.297 -8.004 -3.684 1.00 51.41 C ATOM 2092 O PRO B 2 31.041 -7.472 -2.860 1.00 13.24 O ATOM 2093 CB PRO B 2 28.122 -6.917 -4.309 1.00 23.12 C ATOM 2094 CG PRO B 2 27.970 -5.787 -3.351 1.00 14.43 C ATOM 2095 CD PRO B 2 27.728 -6.414 -2.006 1.00 15.44 C ATOM 0 HA PRO B 2 28.478 -9.034 -3.791 1.00 22.21 H new ATOM 0 HB2 PRO B 2 28.737 -6.632 -5.163 1.00 23.12 H new ATOM 0 HB3 PRO B 2 27.157 -7.235 -4.703 1.00 23.12 H new ATOM 0 HG2 PRO B 2 28.865 -5.165 -3.336 1.00 14.43 H new ATOM 0 HG3 PRO B 2 27.139 -5.143 -3.636 1.00 14.43 H new ATOM 0 HD2 PRO B 2 28.154 -5.815 -1.201 1.00 15.44 H new ATOM 0 HD3 PRO B 2 26.663 -6.518 -1.797 1.00 15.44 H new ATOM 2103 N PRO B 3 30.765 -8.589 -4.796 1.00 61.13 N ATOM 2104 CA PRO B 3 32.194 -8.644 -5.121 1.00 15.41 C ATOM 2105 C PRO B 3 32.758 -7.275 -5.486 1.00 54.23 C ATOM 2106 O PRO B 3 33.924 -6.983 -5.223 1.00 21.12 O ATOM 2107 CB PRO B 3 32.247 -9.584 -6.328 1.00 4.33 C ATOM 2108 CG PRO B 3 30.900 -9.475 -6.953 1.00 51.54 C ATOM 2109 CD PRO B 3 29.936 -9.243 -5.823 1.00 11.51 C ATOM 0 HA PRO B 3 32.792 -8.981 -4.275 1.00 15.41 H new ATOM 0 HB2 PRO B 3 33.032 -9.289 -7.025 1.00 4.33 H new ATOM 0 HB3 PRO B 3 32.460 -10.608 -6.023 1.00 4.33 H new ATOM 0 HG2 PRO B 3 30.867 -8.653 -7.669 1.00 51.54 H new ATOM 0 HG3 PRO B 3 30.649 -10.384 -7.500 1.00 51.54 H new ATOM 0 HD2 PRO B 3 29.103 -8.611 -6.129 1.00 11.51 H new ATOM 0 HD3 PRO B 3 29.510 -10.178 -5.460 1.00 11.51 H new