USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 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 2 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.7) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.011) USER MOD Single : A 16 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.7) USER MOD Single : A 29 SER OG : rot 56:sc= 0.037 USER MOD Single : A 30 TYR OH : rot -1:sc= -1.3! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 34 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= -2.13 K(o=-2.1,f=-13!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.208) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 59 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.3!) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot -61:sc= 0.818 USER MOD Single : B -7 PHE N :NH3+ 167:sc= 0.755 (180deg=0.581) USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 2 5.794 -6.401 -11.888 1.00 31.35 N ATOM 78 CA GLN A 2 6.190 -7.392 -12.881 1.00 71.22 C ATOM 79 C GLN A 2 6.039 -6.837 -14.294 1.00 34.33 C ATOM 80 O GLN A 2 4.982 -6.320 -14.658 1.00 63.51 O ATOM 81 CB GLN A 2 5.352 -8.663 -12.727 1.00 42.22 C ATOM 82 CG GLN A 2 5.848 -9.825 -13.573 1.00 1.32 C ATOM 83 CD GLN A 2 7.262 -10.242 -13.219 1.00 70.13 C ATOM 84 OE1 GLN A 2 7.776 -9.896 -12.155 1.00 71.41 O ATOM 85 NE2 GLN A 2 7.899 -10.990 -14.112 1.00 65.03 N ATOM 0 HA GLN A 2 7.240 -7.635 -12.716 1.00 71.22 H new ATOM 0 HB2 GLN A 2 5.350 -8.962 -11.679 1.00 42.22 H new ATOM 0 HB3 GLN A 2 4.319 -8.442 -12.997 1.00 42.22 H new ATOM 0 HG2 GLN A 2 5.179 -10.676 -13.443 1.00 1.32 H new ATOM 0 HG3 GLN A 2 5.808 -9.546 -14.626 1.00 1.32 H new ATOM 0 HE21 GLN A 2 7.434 -11.253 -14.981 1.00 65.03 H new ATOM 0 HE22 GLN A 2 8.853 -11.301 -13.929 1.00 65.03 H new ATOM 94 N ARG A 3 7.101 -6.948 -15.084 1.00 41.44 N ATOM 95 CA ARG A 3 7.087 -6.455 -16.457 1.00 34.34 C ATOM 96 C ARG A 3 6.319 -7.408 -17.368 1.00 61.41 C ATOM 97 O ARG A 3 6.121 -8.577 -17.035 1.00 42.55 O ATOM 98 CB ARG A 3 8.516 -6.279 -16.973 1.00 12.02 C ATOM 99 CG ARG A 3 9.202 -7.589 -17.326 1.00 12.43 C ATOM 100 CD ARG A 3 10.683 -7.551 -16.985 1.00 44.23 C ATOM 101 NE ARG A 3 10.941 -7.978 -15.613 1.00 12.13 N ATOM 102 CZ ARG A 3 12.151 -8.267 -15.148 1.00 31.52 C ATOM 103 NH1 ARG A 3 13.209 -8.176 -15.941 1.00 41.24 N ATOM 104 NH2 ARG A 3 12.305 -8.649 -13.886 1.00 75.33 N ATOM 0 H ARG A 3 7.982 -7.375 -14.798 1.00 41.44 H new ATOM 0 HA ARG A 3 6.584 -5.488 -16.465 1.00 34.34 H new ATOM 0 HB2 ARG A 3 8.498 -5.639 -17.855 1.00 12.02 H new ATOM 0 HB3 ARG A 3 9.106 -5.762 -16.216 1.00 12.02 H new ATOM 0 HG2 ARG A 3 8.724 -8.408 -16.788 1.00 12.43 H new ATOM 0 HG3 ARG A 3 9.077 -7.791 -18.390 1.00 12.43 H new ATOM 0 HD2 ARG A 3 11.230 -8.195 -17.674 1.00 44.23 H new ATOM 0 HD3 ARG A 3 11.061 -6.539 -17.127 1.00 44.23 H new ATOM 0 HE ARG A 3 10.148 -8.059 -14.976 1.00 12.13 H new ATOM 0 HH11 ARG A 3 13.095 -7.883 -16.911 1.00 41.24 H new ATOM 0 HH12 ARG A 3 14.137 -8.399 -15.581 1.00 41.24 H new ATOM 0 HH21 ARG A 3 11.493 -8.721 -13.272 1.00 75.33 H new ATOM 0 HH22 ARG A 3 13.235 -8.871 -13.530 1.00 75.33 H new ATOM 118 N ALA A 4 5.889 -6.901 -18.519 1.00 0.14 N ATOM 119 CA ALA A 4 5.145 -7.707 -19.478 1.00 51.14 C ATOM 120 C ALA A 4 5.289 -7.151 -20.891 1.00 10.31 C ATOM 121 O ALA A 4 5.454 -5.946 -21.081 1.00 2.44 O ATOM 122 CB ALA A 4 3.677 -7.776 -19.084 1.00 21.34 C ATOM 0 H ALA A 4 6.043 -5.936 -18.809 1.00 0.14 H new ATOM 0 HA ALA A 4 5.561 -8.715 -19.467 1.00 51.14 H new ATOM 0 HB1 ALA A 4 3.134 -8.381 -19.810 1.00 21.34 H new ATOM 0 HB2 ALA A 4 3.586 -8.226 -18.095 1.00 21.34 H new ATOM 0 HB3 ALA A 4 3.258 -6.770 -19.064 1.00 21.34 H new ATOM 128 N VAL A 5 5.226 -8.036 -21.880 1.00 60.51 N ATOM 129 CA VAL A 5 5.349 -7.634 -23.276 1.00 2.20 C ATOM 130 C VAL A 5 3.997 -7.668 -23.979 1.00 52.50 C ATOM 131 O VAL A 5 3.178 -8.552 -23.730 1.00 2.12 O ATOM 132 CB VAL A 5 6.334 -8.541 -24.037 1.00 70.11 C ATOM 133 CG1 VAL A 5 5.763 -9.943 -24.185 1.00 62.21 C ATOM 134 CG2 VAL A 5 6.665 -7.945 -25.397 1.00 12.10 C ATOM 0 H VAL A 5 5.090 -9.037 -21.740 1.00 60.51 H new ATOM 0 HA VAL A 5 5.731 -6.613 -23.279 1.00 2.20 H new ATOM 0 HB VAL A 5 7.257 -8.609 -23.461 1.00 70.11 H new ATOM 0 HG11 VAL A 5 6.473 -10.570 -24.725 1.00 62.21 H new ATOM 0 HG12 VAL A 5 5.582 -10.368 -23.198 1.00 62.21 H new ATOM 0 HG13 VAL A 5 4.825 -9.897 -24.738 1.00 62.21 H new ATOM 0 HG21 VAL A 5 7.362 -8.599 -25.921 1.00 12.10 H new ATOM 0 HG22 VAL A 5 5.751 -7.845 -25.983 1.00 12.10 H new ATOM 0 HG23 VAL A 5 7.119 -6.963 -25.263 1.00 12.10 H new ATOM 144 N ALA A 6 3.769 -6.698 -24.859 1.00 65.35 N ATOM 145 CA ALA A 6 2.517 -6.618 -25.601 1.00 62.31 C ATOM 146 C ALA A 6 2.544 -7.530 -26.823 1.00 50.45 C ATOM 147 O ALA A 6 3.468 -7.469 -27.636 1.00 11.21 O ATOM 148 CB ALA A 6 2.241 -5.181 -26.018 1.00 25.23 C ATOM 0 H ALA A 6 4.435 -5.957 -25.075 1.00 65.35 H new ATOM 0 HA ALA A 6 1.713 -6.955 -24.946 1.00 62.31 H new ATOM 0 HB1 ALA A 6 1.303 -5.136 -26.571 1.00 25.23 H new ATOM 0 HB2 ALA A 6 2.169 -4.552 -25.131 1.00 25.23 H new ATOM 0 HB3 ALA A 6 3.053 -4.824 -26.651 1.00 25.23 H new ATOM 154 N LEU A 7 1.526 -8.374 -26.948 1.00 63.22 N ATOM 155 CA LEU A 7 1.433 -9.300 -28.072 1.00 43.41 C ATOM 156 C LEU A 7 0.611 -8.697 -29.207 1.00 21.32 C ATOM 157 O LEU A 7 0.857 -8.976 -30.381 1.00 10.52 O ATOM 158 CB LEU A 7 0.809 -10.621 -27.620 1.00 53.20 C ATOM 159 CG LEU A 7 1.201 -11.105 -26.224 1.00 35.43 C ATOM 160 CD1 LEU A 7 0.446 -12.377 -25.869 1.00 22.31 C ATOM 161 CD2 LEU A 7 2.703 -11.333 -26.140 1.00 72.23 C ATOM 0 H LEU A 7 0.753 -8.437 -26.285 1.00 63.22 H new ATOM 0 HA LEU A 7 2.441 -9.490 -28.440 1.00 43.41 H new ATOM 0 HB2 LEU A 7 -0.276 -10.519 -27.656 1.00 53.20 H new ATOM 0 HB3 LEU A 7 1.080 -11.393 -28.340 1.00 53.20 H new ATOM 0 HG LEU A 7 0.931 -10.333 -25.504 1.00 35.43 H new ATOM 0 HD11 LEU A 7 0.738 -12.707 -24.872 1.00 22.31 H new ATOM 0 HD12 LEU A 7 -0.626 -12.181 -25.887 1.00 22.31 H new ATOM 0 HD13 LEU A 7 0.685 -13.156 -26.593 1.00 22.31 H new ATOM 0 HD21 LEU A 7 2.963 -11.677 -25.139 1.00 72.23 H new ATOM 0 HD22 LEU A 7 2.998 -12.086 -26.871 1.00 72.23 H new ATOM 0 HD23 LEU A 7 3.225 -10.399 -26.350 1.00 72.23 H new ATOM 173 N TYR A 8 -0.364 -7.870 -28.849 1.00 12.41 N ATOM 174 CA TYR A 8 -1.223 -7.228 -29.837 1.00 10.41 C ATOM 175 C TYR A 8 -1.592 -5.813 -29.401 1.00 33.02 C ATOM 176 O TYR A 8 -1.928 -5.577 -28.240 1.00 5.20 O ATOM 177 CB TYR A 8 -2.492 -8.054 -30.054 1.00 42.24 C ATOM 178 CG TYR A 8 -2.258 -9.547 -30.006 1.00 1.22 C ATOM 179 CD1 TYR A 8 -1.669 -10.213 -31.074 1.00 11.51 C ATOM 180 CD2 TYR A 8 -2.626 -10.292 -28.893 1.00 14.15 C ATOM 181 CE1 TYR A 8 -1.454 -11.577 -31.034 1.00 50.44 C ATOM 182 CE2 TYR A 8 -2.414 -11.656 -28.844 1.00 2.13 C ATOM 183 CZ TYR A 8 -1.828 -12.294 -29.917 1.00 4.20 C ATOM 184 OH TYR A 8 -1.615 -13.653 -29.873 1.00 14.33 O ATOM 0 H TYR A 8 -0.580 -7.628 -27.882 1.00 12.41 H new ATOM 0 HA TYR A 8 -0.672 -7.167 -30.775 1.00 10.41 H new ATOM 0 HB2 TYR A 8 -3.225 -7.785 -29.294 1.00 42.24 H new ATOM 0 HB3 TYR A 8 -2.924 -7.793 -31.020 1.00 42.24 H new ATOM 0 HD1 TYR A 8 -1.374 -9.655 -31.950 1.00 11.51 H new ATOM 0 HD2 TYR A 8 -3.086 -9.796 -28.051 1.00 14.15 H new ATOM 0 HE1 TYR A 8 -0.995 -12.079 -31.873 1.00 50.44 H new ATOM 0 HE2 TYR A 8 -2.706 -12.220 -27.970 1.00 2.13 H new ATOM 0 HH TYR A 8 -1.934 -14.007 -29.016 1.00 14.33 H new ATOM 194 N ASP A 9 -1.529 -4.876 -30.340 1.00 63.03 N ATOM 195 CA ASP A 9 -1.858 -3.484 -30.055 1.00 62.24 C ATOM 196 C ASP A 9 -3.314 -3.348 -29.622 1.00 51.34 C ATOM 197 O ASP A 9 -4.196 -4.024 -30.152 1.00 31.33 O ATOM 198 CB ASP A 9 -1.595 -2.614 -31.285 1.00 43.32 C ATOM 199 CG ASP A 9 -2.534 -2.932 -32.432 1.00 20.52 C ATOM 200 OD1 ASP A 9 -3.681 -2.440 -32.413 1.00 51.30 O ATOM 201 OD2 ASP A 9 -2.122 -3.676 -33.347 1.00 53.45 O ATOM 0 H ASP A 9 -1.253 -5.055 -31.306 1.00 63.03 H new ATOM 0 HA ASP A 9 -1.222 -3.145 -29.237 1.00 62.24 H new ATOM 0 HB2 ASP A 9 -1.701 -1.564 -31.013 1.00 43.32 H new ATOM 0 HB3 ASP A 9 -0.565 -2.756 -31.613 1.00 43.32 H new ATOM 206 N PHE A 10 -3.559 -2.469 -28.656 1.00 22.12 N ATOM 207 CA PHE A 10 -4.908 -2.245 -28.150 1.00 30.43 C ATOM 208 C PHE A 10 -5.137 -0.768 -27.847 1.00 0.55 C ATOM 209 O PHE A 10 -4.221 -0.061 -27.426 1.00 55.03 O ATOM 210 CB PHE A 10 -5.148 -3.079 -26.889 1.00 63.34 C ATOM 211 CG PHE A 10 -6.297 -2.589 -26.056 1.00 31.11 C ATOM 212 CD1 PHE A 10 -7.605 -2.825 -26.448 1.00 62.22 C ATOM 213 CD2 PHE A 10 -6.070 -1.892 -24.880 1.00 43.24 C ATOM 214 CE1 PHE A 10 -8.665 -2.376 -25.683 1.00 42.13 C ATOM 215 CE2 PHE A 10 -7.126 -1.441 -24.111 1.00 44.53 C ATOM 216 CZ PHE A 10 -8.425 -1.682 -24.514 1.00 4.32 C ATOM 0 H PHE A 10 -2.841 -1.900 -28.208 1.00 22.12 H new ATOM 0 HA PHE A 10 -5.614 -2.553 -28.921 1.00 30.43 H new ATOM 0 HB2 PHE A 10 -5.334 -4.114 -27.177 1.00 63.34 H new ATOM 0 HB3 PHE A 10 -4.242 -3.075 -26.283 1.00 63.34 H new ATOM 0 HD1 PHE A 10 -7.799 -3.366 -27.362 1.00 62.22 H new ATOM 0 HD2 PHE A 10 -5.056 -1.699 -24.561 1.00 43.24 H new ATOM 0 HE1 PHE A 10 -9.680 -2.568 -25.999 1.00 42.13 H new ATOM 0 HE2 PHE A 10 -6.936 -0.900 -23.196 1.00 44.53 H new ATOM 0 HZ PHE A 10 -9.251 -1.328 -23.916 1.00 4.32 H new ATOM 226 N GLU A 11 -6.366 -0.308 -28.064 1.00 25.32 N ATOM 227 CA GLU A 11 -6.714 1.085 -27.815 1.00 54.52 C ATOM 228 C GLU A 11 -7.747 1.197 -26.697 1.00 23.21 C ATOM 229 O GLU A 11 -8.712 0.435 -26.630 1.00 64.04 O ATOM 230 CB GLU A 11 -7.256 1.734 -29.091 1.00 12.12 C ATOM 231 CG GLU A 11 -7.746 3.158 -28.889 1.00 13.13 C ATOM 232 CD GLU A 11 -8.472 3.703 -30.103 1.00 43.35 C ATOM 233 OE1 GLU A 11 -7.796 4.019 -31.105 1.00 43.11 O ATOM 234 OE2 GLU A 11 -9.714 3.815 -30.053 1.00 33.51 O ATOM 0 H GLU A 11 -7.136 -0.880 -28.411 1.00 25.32 H new ATOM 0 HA GLU A 11 -5.810 1.608 -27.505 1.00 54.52 H new ATOM 0 HB2 GLU A 11 -6.474 1.732 -29.850 1.00 12.12 H new ATOM 0 HB3 GLU A 11 -8.076 1.128 -29.477 1.00 12.12 H new ATOM 0 HG2 GLU A 11 -8.413 3.190 -28.027 1.00 13.13 H new ATOM 0 HG3 GLU A 11 -6.897 3.801 -28.659 1.00 13.13 H new ATOM 241 N PRO A 12 -7.540 2.169 -25.796 1.00 60.20 N ATOM 242 CA PRO A 12 -8.441 2.404 -24.664 1.00 32.40 C ATOM 243 C PRO A 12 -9.790 2.963 -25.103 1.00 71.12 C ATOM 244 O PRO A 12 -9.873 3.718 -26.071 1.00 71.23 O ATOM 245 CB PRO A 12 -7.686 3.431 -23.817 1.00 14.20 C ATOM 246 CG PRO A 12 -6.797 4.137 -24.781 1.00 63.13 C ATOM 247 CD PRO A 12 -6.411 3.114 -25.814 1.00 22.24 C ATOM 0 HA PRO A 12 -8.676 1.482 -24.132 1.00 32.40 H new ATOM 0 HB2 PRO A 12 -8.372 4.124 -23.331 1.00 14.20 H new ATOM 0 HB3 PRO A 12 -7.110 2.947 -23.028 1.00 14.20 H new ATOM 0 HG2 PRO A 12 -7.312 4.981 -25.241 1.00 63.13 H new ATOM 0 HG3 PRO A 12 -5.916 4.536 -24.279 1.00 63.13 H new ATOM 0 HD2 PRO A 12 -6.280 3.565 -26.797 1.00 22.24 H new ATOM 0 HD3 PRO A 12 -5.471 2.623 -25.561 1.00 22.24 H new ATOM 255 N GLU A 13 -10.844 2.588 -24.385 1.00 24.45 N ATOM 256 CA GLU A 13 -12.189 3.053 -24.702 1.00 22.51 C ATOM 257 C GLU A 13 -12.673 4.064 -23.667 1.00 42.42 C ATOM 258 O GLU A 13 -13.675 4.747 -23.873 1.00 51.33 O ATOM 259 CB GLU A 13 -13.158 1.871 -24.768 1.00 75.21 C ATOM 260 CG GLU A 13 -13.440 1.393 -26.183 1.00 12.22 C ATOM 261 CD GLU A 13 -14.265 2.385 -26.980 1.00 43.20 C ATOM 262 OE1 GLU A 13 -15.175 3.006 -26.393 1.00 12.54 O ATOM 263 OE2 GLU A 13 -14.000 2.540 -28.190 1.00 52.14 O ATOM 0 H GLU A 13 -10.792 1.964 -23.580 1.00 24.45 H new ATOM 0 HA GLU A 13 -12.157 3.543 -25.675 1.00 22.51 H new ATOM 0 HB2 GLU A 13 -12.748 1.043 -24.189 1.00 75.21 H new ATOM 0 HB3 GLU A 13 -14.098 2.156 -24.296 1.00 75.21 H new ATOM 0 HG2 GLU A 13 -12.496 1.215 -26.697 1.00 12.22 H new ATOM 0 HG3 GLU A 13 -13.965 0.439 -26.142 1.00 12.22 H new ATOM 270 N ASN A 14 -11.953 4.154 -22.554 1.00 21.44 N ATOM 271 CA ASN A 14 -12.309 5.081 -21.486 1.00 20.35 C ATOM 272 C ASN A 14 -11.192 6.092 -21.248 1.00 43.23 C ATOM 273 O ASN A 14 -10.125 6.009 -21.857 1.00 71.44 O ATOM 274 CB ASN A 14 -12.602 4.315 -20.194 1.00 24.13 C ATOM 275 CG ASN A 14 -14.033 3.818 -20.128 1.00 23.50 C ATOM 276 OD1 ASN A 14 -14.976 4.608 -20.097 1.00 43.44 O ATOM 277 ND2 ASN A 14 -14.201 2.500 -20.106 1.00 3.43 N ATOM 0 H ASN A 14 -11.119 3.596 -22.368 1.00 21.44 H new ATOM 0 HA ASN A 14 -13.205 5.621 -21.792 1.00 20.35 H new ATOM 0 HB2 ASN A 14 -11.922 3.467 -20.116 1.00 24.13 H new ATOM 0 HB3 ASN A 14 -12.405 4.962 -19.339 1.00 24.13 H new ATOM 0 HD21 ASN A 14 -15.141 2.106 -20.062 1.00 3.43 H new ATOM 0 HD22 ASN A 14 -13.390 1.882 -20.133 1.00 3.43 H new ATOM 284 N ASP A 15 -11.444 7.046 -20.359 1.00 53.53 N ATOM 285 CA ASP A 15 -10.460 8.074 -20.040 1.00 23.43 C ATOM 286 C ASP A 15 -9.580 7.639 -18.872 1.00 31.53 C ATOM 287 O ASP A 15 -8.893 8.456 -18.261 1.00 42.24 O ATOM 288 CB ASP A 15 -11.158 9.393 -19.705 1.00 24.21 C ATOM 289 CG ASP A 15 -11.781 10.043 -20.924 1.00 14.41 C ATOM 290 OD1 ASP A 15 -11.700 9.450 -22.020 1.00 31.05 O ATOM 291 OD2 ASP A 15 -12.350 11.146 -20.783 1.00 10.44 O ATOM 0 H ASP A 15 -12.322 7.129 -19.846 1.00 53.53 H new ATOM 0 HA ASP A 15 -9.827 8.220 -20.915 1.00 23.43 H new ATOM 0 HB2 ASP A 15 -11.931 9.212 -18.958 1.00 24.21 H new ATOM 0 HB3 ASP A 15 -10.438 10.079 -19.259 1.00 24.21 H new ATOM 296 N ASN A 16 -9.608 6.345 -18.566 1.00 12.40 N ATOM 297 CA ASN A 16 -8.815 5.802 -17.470 1.00 24.32 C ATOM 298 C ASN A 16 -8.099 4.524 -17.898 1.00 10.02 C ATOM 299 O ASN A 16 -7.634 3.752 -17.060 1.00 72.43 O ATOM 300 CB ASN A 16 -9.706 5.519 -16.259 1.00 3.34 C ATOM 301 CG ASN A 16 -11.088 5.040 -16.657 1.00 52.12 C ATOM 302 OD1 ASN A 16 -11.907 5.815 -17.153 1.00 63.41 O ATOM 303 ND2 ASN A 16 -11.355 3.757 -16.441 1.00 43.22 N ATOM 0 H ASN A 16 -10.171 5.654 -19.062 1.00 12.40 H new ATOM 0 HA ASN A 16 -8.065 6.544 -17.195 1.00 24.32 H new ATOM 0 HB2 ASN A 16 -9.231 4.766 -15.630 1.00 3.34 H new ATOM 0 HB3 ASN A 16 -9.797 6.424 -15.659 1.00 3.34 H new ATOM 0 HD21 ASN A 16 -12.269 3.378 -16.688 1.00 43.22 H new ATOM 0 HD22 ASN A 16 -10.646 3.151 -16.028 1.00 43.22 H new ATOM 310 N GLU A 17 -8.015 4.310 -19.207 1.00 63.41 N ATOM 311 CA GLU A 17 -7.356 3.125 -19.746 1.00 1.44 C ATOM 312 C GLU A 17 -6.010 3.487 -20.368 1.00 13.11 C ATOM 313 O GLU A 17 -5.755 4.648 -20.692 1.00 21.25 O ATOM 314 CB GLU A 17 -8.247 2.449 -20.789 1.00 74.30 C ATOM 315 CG GLU A 17 -9.306 1.540 -20.188 1.00 30.24 C ATOM 316 CD GLU A 17 -8.909 0.077 -20.227 1.00 34.34 C ATOM 317 OE1 GLU A 17 -8.325 -0.352 -21.244 1.00 34.01 O ATOM 318 OE2 GLU A 17 -9.183 -0.639 -19.241 1.00 22.22 O ATOM 0 H GLU A 17 -8.394 4.940 -19.913 1.00 63.41 H new ATOM 0 HA GLU A 17 -7.182 2.431 -18.923 1.00 1.44 H new ATOM 0 HB2 GLU A 17 -8.737 3.216 -21.388 1.00 74.30 H new ATOM 0 HB3 GLU A 17 -7.622 1.867 -21.466 1.00 74.30 H new ATOM 0 HG2 GLU A 17 -9.489 1.835 -19.155 1.00 30.24 H new ATOM 0 HG3 GLU A 17 -10.243 1.673 -20.729 1.00 30.24 H new ATOM 325 N LEU A 18 -5.153 2.486 -20.532 1.00 70.30 N ATOM 326 CA LEU A 18 -3.833 2.697 -21.115 1.00 65.21 C ATOM 327 C LEU A 18 -3.732 2.041 -22.488 1.00 75.15 C ATOM 328 O LEU A 18 -4.279 0.961 -22.713 1.00 33.12 O ATOM 329 CB LEU A 18 -2.750 2.138 -20.190 1.00 62.13 C ATOM 330 CG LEU A 18 -1.508 3.011 -20.006 1.00 13.43 C ATOM 331 CD1 LEU A 18 -0.502 2.323 -19.097 1.00 2.21 C ATOM 332 CD2 LEU A 18 -0.879 3.335 -21.353 1.00 11.31 C ATOM 0 H LEU A 18 -5.348 1.520 -20.269 1.00 70.30 H new ATOM 0 HA LEU A 18 -3.683 3.770 -21.234 1.00 65.21 H new ATOM 0 HB2 LEU A 18 -3.193 1.961 -19.210 1.00 62.13 H new ATOM 0 HB3 LEU A 18 -2.434 1.169 -20.577 1.00 62.13 H new ATOM 0 HG LEU A 18 -1.811 3.946 -19.535 1.00 13.43 H new ATOM 0 HD11 LEU A 18 0.375 2.959 -18.978 1.00 2.21 H new ATOM 0 HD12 LEU A 18 -0.956 2.144 -18.122 1.00 2.21 H new ATOM 0 HD13 LEU A 18 -0.203 1.372 -19.539 1.00 2.21 H new ATOM 0 HD21 LEU A 18 0.003 3.957 -21.202 1.00 11.31 H new ATOM 0 HD22 LEU A 18 -0.590 2.410 -21.852 1.00 11.31 H new ATOM 0 HD23 LEU A 18 -1.599 3.871 -21.971 1.00 11.31 H new ATOM 344 N ARG A 19 -3.029 2.700 -23.403 1.00 61.24 N ATOM 345 CA ARG A 19 -2.856 2.180 -24.755 1.00 12.24 C ATOM 346 C ARG A 19 -1.792 1.087 -24.785 1.00 2.32 C ATOM 347 O ARG A 19 -0.923 1.027 -23.913 1.00 53.24 O ATOM 348 CB ARG A 19 -2.471 3.309 -25.713 1.00 22.05 C ATOM 349 CG ARG A 19 -3.178 4.622 -25.422 1.00 53.51 C ATOM 350 CD ARG A 19 -2.945 5.638 -26.530 1.00 73.42 C ATOM 351 NE ARG A 19 -1.540 6.019 -26.636 1.00 64.14 N ATOM 352 CZ ARG A 19 -0.930 6.827 -25.776 1.00 32.11 C ATOM 353 NH1 ARG A 19 -1.600 7.336 -24.751 1.00 21.52 N ATOM 354 NH2 ARG A 19 0.352 7.127 -25.940 1.00 12.13 N ATOM 0 H ARG A 19 -2.570 3.595 -23.233 1.00 61.24 H new ATOM 0 HA ARG A 19 -3.804 1.748 -25.076 1.00 12.24 H new ATOM 0 HB2 ARG A 19 -1.394 3.467 -25.661 1.00 22.05 H new ATOM 0 HB3 ARG A 19 -2.699 3.002 -26.734 1.00 22.05 H new ATOM 0 HG2 ARG A 19 -4.247 4.444 -25.310 1.00 53.51 H new ATOM 0 HG3 ARG A 19 -2.821 5.027 -24.475 1.00 53.51 H new ATOM 0 HD2 ARG A 19 -3.280 5.222 -27.480 1.00 73.42 H new ATOM 0 HD3 ARG A 19 -3.548 6.526 -26.340 1.00 73.42 H new ATOM 0 HE ARG A 19 -0.996 5.644 -27.413 1.00 64.14 H new ATOM 0 HH11 ARG A 19 -2.586 7.107 -24.622 1.00 21.52 H new ATOM 0 HH12 ARG A 19 -1.130 7.956 -24.092 1.00 21.52 H new ATOM 0 HH21 ARG A 19 0.870 6.737 -26.727 1.00 12.13 H new ATOM 0 HH22 ARG A 19 0.819 7.748 -25.279 1.00 12.13 H new ATOM 368 N LEU A 20 -1.866 0.225 -25.793 1.00 25.15 N ATOM 369 CA LEU A 20 -0.909 -0.867 -25.937 1.00 2.03 C ATOM 370 C LEU A 20 -0.553 -1.089 -27.403 1.00 74.52 C ATOM 371 O LEU A 20 -1.374 -0.865 -28.292 1.00 52.30 O ATOM 372 CB LEU A 20 -1.479 -2.154 -25.337 1.00 52.45 C ATOM 373 CG LEU A 20 -0.550 -2.928 -24.402 1.00 61.02 C ATOM 374 CD1 LEU A 20 0.046 -2.001 -23.354 1.00 61.02 C ATOM 375 CD2 LEU A 20 -1.297 -4.076 -23.739 1.00 3.03 C ATOM 0 H LEU A 20 -2.578 0.261 -26.522 1.00 25.15 H new ATOM 0 HA LEU A 20 -0.001 -0.595 -25.399 1.00 2.03 H new ATOM 0 HB2 LEU A 20 -2.387 -1.904 -24.789 1.00 52.45 H new ATOM 0 HB3 LEU A 20 -1.771 -2.814 -26.154 1.00 52.45 H new ATOM 0 HG LEU A 20 0.265 -3.345 -24.994 1.00 61.02 H new ATOM 0 HD11 LEU A 20 0.705 -2.570 -22.697 1.00 61.02 H new ATOM 0 HD12 LEU A 20 0.617 -1.214 -23.847 1.00 61.02 H new ATOM 0 HD13 LEU A 20 -0.755 -1.554 -22.766 1.00 61.02 H new ATOM 0 HD21 LEU A 20 -0.620 -4.616 -23.077 1.00 3.03 H new ATOM 0 HD22 LEU A 20 -2.132 -3.681 -23.161 1.00 3.03 H new ATOM 0 HD23 LEU A 20 -1.674 -4.755 -24.504 1.00 3.03 H new ATOM 387 N ALA A 21 0.675 -1.534 -27.648 1.00 72.42 N ATOM 388 CA ALA A 21 1.137 -1.792 -29.006 1.00 43.43 C ATOM 389 C ALA A 21 1.951 -3.079 -29.074 1.00 61.54 C ATOM 390 O ALA A 21 2.747 -3.369 -28.182 1.00 13.04 O ATOM 391 CB ALA A 21 1.961 -0.617 -29.515 1.00 35.42 C ATOM 0 H ALA A 21 1.368 -1.723 -26.924 1.00 72.42 H new ATOM 0 HA ALA A 21 0.262 -1.912 -29.644 1.00 43.43 H new ATOM 0 HB1 ALA A 21 2.300 -0.823 -30.530 1.00 35.42 H new ATOM 0 HB2 ALA A 21 1.349 0.285 -29.513 1.00 35.42 H new ATOM 0 HB3 ALA A 21 2.825 -0.471 -28.867 1.00 35.42 H new ATOM 397 N GLU A 22 1.745 -3.849 -30.139 1.00 2.30 N ATOM 398 CA GLU A 22 2.460 -5.107 -30.321 1.00 53.33 C ATOM 399 C GLU A 22 3.968 -4.895 -30.222 1.00 73.24 C ATOM 400 O GLU A 22 4.554 -4.150 -31.007 1.00 32.33 O ATOM 401 CB GLU A 22 2.108 -5.727 -31.675 1.00 42.12 C ATOM 402 CG GLU A 22 2.894 -6.989 -31.989 1.00 31.12 C ATOM 403 CD GLU A 22 3.620 -6.909 -33.318 1.00 21.25 C ATOM 404 OE1 GLU A 22 3.042 -6.357 -34.277 1.00 14.23 O ATOM 405 OE2 GLU A 22 4.766 -7.399 -33.398 1.00 51.15 O ATOM 0 H GLU A 22 1.090 -3.624 -30.887 1.00 2.30 H new ATOM 0 HA GLU A 22 2.154 -5.788 -29.527 1.00 53.33 H new ATOM 0 HB2 GLU A 22 1.043 -5.958 -31.693 1.00 42.12 H new ATOM 0 HB3 GLU A 22 2.288 -4.992 -32.460 1.00 42.12 H new ATOM 0 HG2 GLU A 22 3.618 -7.169 -31.194 1.00 31.12 H new ATOM 0 HG3 GLU A 22 2.215 -7.842 -32.001 1.00 31.12 H new ATOM 412 N GLY A 23 4.590 -5.557 -29.251 1.00 51.32 N ATOM 413 CA GLY A 23 6.024 -5.428 -29.066 1.00 55.23 C ATOM 414 C GLY A 23 6.384 -4.349 -28.065 1.00 3.41 C ATOM 415 O GLY A 23 7.562 -4.101 -27.807 1.00 2.35 O ATOM 0 H GLY A 23 4.127 -6.180 -28.589 1.00 51.32 H new ATOM 0 HA2 GLY A 23 6.431 -6.382 -28.730 1.00 55.23 H new ATOM 0 HA3 GLY A 23 6.492 -5.201 -30.024 1.00 55.23 H new ATOM 419 N ASP A 24 5.369 -3.704 -27.501 1.00 51.10 N ATOM 420 CA ASP A 24 5.585 -2.644 -26.523 1.00 33.24 C ATOM 421 C ASP A 24 5.950 -3.228 -25.161 1.00 41.33 C ATOM 422 O ASP A 24 5.665 -4.391 -24.877 1.00 75.32 O ATOM 423 CB ASP A 24 4.334 -1.773 -26.399 1.00 11.33 C ATOM 424 CG ASP A 24 4.622 -0.436 -25.743 1.00 60.43 C ATOM 425 OD1 ASP A 24 5.425 0.339 -26.304 1.00 22.13 O ATOM 426 OD2 ASP A 24 4.044 -0.165 -24.670 1.00 73.44 O ATOM 0 H ASP A 24 4.388 -3.897 -27.704 1.00 51.10 H new ATOM 0 HA ASP A 24 6.415 -2.028 -26.869 1.00 33.24 H new ATOM 0 HB2 ASP A 24 3.912 -1.605 -27.390 1.00 11.33 H new ATOM 0 HB3 ASP A 24 3.581 -2.305 -25.818 1.00 11.33 H new ATOM 431 N ILE A 25 6.584 -2.413 -24.325 1.00 14.32 N ATOM 432 CA ILE A 25 6.988 -2.848 -22.994 1.00 32.42 C ATOM 433 C ILE A 25 6.176 -2.142 -21.914 1.00 11.42 C ATOM 434 O ILE A 25 6.178 -0.914 -21.824 1.00 5.24 O ATOM 435 CB ILE A 25 8.486 -2.588 -22.747 1.00 74.40 C ATOM 436 CG1 ILE A 25 9.332 -3.338 -23.778 1.00 23.35 C ATOM 437 CG2 ILE A 25 8.870 -3.004 -21.335 1.00 14.33 C ATOM 438 CD1 ILE A 25 9.885 -4.650 -23.266 1.00 21.11 C ATOM 0 H ILE A 25 6.829 -1.448 -24.546 1.00 14.32 H new ATOM 0 HA ILE A 25 6.800 -3.921 -22.943 1.00 32.42 H new ATOM 0 HB ILE A 25 8.677 -1.520 -22.855 1.00 74.40 H new ATOM 0 HG12 ILE A 25 8.726 -3.529 -24.664 1.00 23.35 H new ATOM 0 HG13 ILE A 25 10.160 -2.701 -24.090 1.00 23.35 H new ATOM 0 HG21 ILE A 25 9.931 -2.814 -21.176 1.00 14.33 H new ATOM 0 HG22 ILE A 25 8.287 -2.430 -20.615 1.00 14.33 H new ATOM 0 HG23 ILE A 25 8.667 -4.067 -21.201 1.00 14.33 H new ATOM 0 HD11 ILE A 25 10.474 -5.127 -24.049 1.00 21.11 H new ATOM 0 HD12 ILE A 25 10.518 -4.464 -22.398 1.00 21.11 H new ATOM 0 HD13 ILE A 25 9.062 -5.305 -22.981 1.00 21.11 H new ATOM 450 N VAL A 26 5.482 -2.925 -21.094 1.00 64.42 N ATOM 451 CA VAL A 26 4.668 -2.375 -20.017 1.00 72.34 C ATOM 452 C VAL A 26 4.959 -3.075 -18.695 1.00 25.51 C ATOM 453 O VAL A 26 5.417 -4.218 -18.673 1.00 20.32 O ATOM 454 CB VAL A 26 3.165 -2.500 -20.331 1.00 11.41 C ATOM 455 CG1 VAL A 26 2.741 -1.446 -21.343 1.00 4.44 C ATOM 456 CG2 VAL A 26 2.840 -3.897 -20.837 1.00 5.00 C ATOM 0 H VAL A 26 5.467 -3.943 -21.155 1.00 64.42 H new ATOM 0 HA VAL A 26 4.928 -1.320 -19.931 1.00 72.34 H new ATOM 0 HB VAL A 26 2.605 -2.332 -19.411 1.00 11.41 H new ATOM 0 HG11 VAL A 26 1.676 -1.550 -21.552 1.00 4.44 H new ATOM 0 HG12 VAL A 26 2.936 -0.453 -20.938 1.00 4.44 H new ATOM 0 HG13 VAL A 26 3.307 -1.579 -22.265 1.00 4.44 H new ATOM 0 HG21 VAL A 26 1.774 -3.967 -21.054 1.00 5.00 H new ATOM 0 HG22 VAL A 26 3.409 -4.096 -21.745 1.00 5.00 H new ATOM 0 HG23 VAL A 26 3.104 -4.630 -20.075 1.00 5.00 H new ATOM 466 N PHE A 27 4.691 -2.383 -17.593 1.00 42.52 N ATOM 467 CA PHE A 27 4.925 -2.937 -16.265 1.00 63.51 C ATOM 468 C PHE A 27 3.612 -3.102 -15.505 1.00 43.02 C ATOM 469 O PHE A 27 2.993 -2.120 -15.095 1.00 5.25 O ATOM 470 CB PHE A 27 5.876 -2.038 -15.473 1.00 44.55 C ATOM 471 CG PHE A 27 7.222 -1.872 -16.120 1.00 0.11 C ATOM 472 CD1 PHE A 27 8.087 -2.948 -16.236 1.00 33.42 C ATOM 473 CD2 PHE A 27 7.622 -0.640 -16.612 1.00 60.10 C ATOM 474 CE1 PHE A 27 9.326 -2.798 -16.829 1.00 72.35 C ATOM 475 CE2 PHE A 27 8.860 -0.484 -17.207 1.00 72.11 C ATOM 476 CZ PHE A 27 9.712 -1.565 -17.317 1.00 23.12 C ATOM 0 H PHE A 27 4.311 -1.436 -17.594 1.00 42.52 H new ATOM 0 HA PHE A 27 5.381 -3.920 -16.385 1.00 63.51 H new ATOM 0 HB2 PHE A 27 5.417 -1.057 -15.350 1.00 44.55 H new ATOM 0 HB3 PHE A 27 6.010 -2.455 -14.475 1.00 44.55 H new ATOM 0 HD1 PHE A 27 7.789 -3.915 -15.859 1.00 33.42 H new ATOM 0 HD2 PHE A 27 6.959 0.208 -16.530 1.00 60.10 H new ATOM 0 HE1 PHE A 27 9.992 -3.644 -16.911 1.00 72.35 H new ATOM 0 HE2 PHE A 27 9.160 0.482 -17.585 1.00 72.11 H new ATOM 0 HZ PHE A 27 10.679 -1.447 -17.784 1.00 23.12 H new ATOM 486 N ILE A 28 3.194 -4.350 -15.323 1.00 15.30 N ATOM 487 CA ILE A 28 1.955 -4.643 -14.613 1.00 20.24 C ATOM 488 C ILE A 28 2.111 -4.405 -13.115 1.00 31.15 C ATOM 489 O ILE A 28 2.714 -5.212 -12.407 1.00 1.42 O ATOM 490 CB ILE A 28 1.503 -6.097 -14.846 1.00 24.13 C ATOM 491 CG1 ILE A 28 1.646 -6.468 -16.323 1.00 41.23 C ATOM 492 CG2 ILE A 28 0.066 -6.286 -14.383 1.00 44.10 C ATOM 493 CD1 ILE A 28 0.867 -5.562 -17.251 1.00 63.34 C ATOM 0 H ILE A 28 3.694 -5.174 -15.657 1.00 15.30 H new ATOM 0 HA ILE A 28 1.197 -3.968 -15.009 1.00 20.24 H new ATOM 0 HB ILE A 28 2.142 -6.759 -14.261 1.00 24.13 H new ATOM 0 HG12 ILE A 28 2.700 -6.436 -16.597 1.00 41.23 H new ATOM 0 HG13 ILE A 28 1.311 -7.495 -16.465 1.00 41.23 H new ATOM 0 HG21 ILE A 28 -0.239 -7.318 -14.554 1.00 44.10 H new ATOM 0 HG22 ILE A 28 -0.007 -6.058 -13.320 1.00 44.10 H new ATOM 0 HG23 ILE A 28 -0.588 -5.617 -14.943 1.00 44.10 H new ATOM 0 HD11 ILE A 28 1.015 -5.884 -18.282 1.00 63.34 H new ATOM 0 HD12 ILE A 28 -0.193 -5.612 -17.003 1.00 63.34 H new ATOM 0 HD13 ILE A 28 1.218 -4.536 -17.137 1.00 63.34 H new ATOM 505 N SER A 29 1.561 -3.293 -12.637 1.00 43.13 N ATOM 506 CA SER A 29 1.641 -2.947 -11.223 1.00 14.10 C ATOM 507 C SER A 29 0.893 -3.968 -10.371 1.00 55.12 C ATOM 508 O SER A 29 1.345 -4.341 -9.289 1.00 2.35 O ATOM 509 CB SER A 29 1.067 -1.549 -10.985 1.00 55.12 C ATOM 510 OG SER A 29 2.062 -0.554 -11.151 1.00 52.11 O ATOM 0 H SER A 29 1.055 -2.616 -13.209 1.00 43.13 H new ATOM 0 HA SER A 29 2.691 -2.955 -10.931 1.00 14.10 H new ATOM 0 HB2 SER A 29 0.246 -1.366 -11.679 1.00 55.12 H new ATOM 0 HB3 SER A 29 0.653 -1.489 -9.979 1.00 55.12 H new ATOM 0 HG SER A 29 2.460 -0.635 -12.043 1.00 52.11 H new ATOM 516 N TYR A 30 -0.255 -4.416 -10.868 1.00 61.11 N ATOM 517 CA TYR A 30 -1.068 -5.392 -10.153 1.00 33.12 C ATOM 518 C TYR A 30 -2.252 -5.843 -11.003 1.00 64.35 C ATOM 519 O TYR A 30 -2.798 -5.069 -11.789 1.00 71.14 O ATOM 520 CB TYR A 30 -1.570 -4.801 -8.834 1.00 42.12 C ATOM 521 CG TYR A 30 -2.672 -3.780 -9.009 1.00 24.25 C ATOM 522 CD1 TYR A 30 -2.377 -2.433 -9.181 1.00 32.43 C ATOM 523 CD2 TYR A 30 -4.007 -4.163 -9.002 1.00 73.20 C ATOM 524 CE1 TYR A 30 -3.381 -1.498 -9.339 1.00 42.54 C ATOM 525 CE2 TYR A 30 -5.017 -3.234 -9.162 1.00 35.34 C ATOM 526 CZ TYR A 30 -4.699 -1.903 -9.329 1.00 52.24 C ATOM 527 OH TYR A 30 -5.702 -0.974 -9.489 1.00 3.23 O ATOM 0 H TYR A 30 -0.643 -4.119 -11.763 1.00 61.11 H new ATOM 0 HA TYR A 30 -0.444 -6.260 -9.941 1.00 33.12 H new ATOM 0 HB2 TYR A 30 -1.932 -5.609 -8.198 1.00 42.12 H new ATOM 0 HB3 TYR A 30 -0.734 -4.335 -8.313 1.00 42.12 H new ATOM 0 HD1 TYR A 30 -1.346 -2.112 -9.191 1.00 32.43 H new ATOM 0 HD2 TYR A 30 -4.260 -5.205 -8.869 1.00 73.20 H new ATOM 0 HE1 TYR A 30 -3.135 -0.455 -9.470 1.00 42.54 H new ATOM 0 HE2 TYR A 30 -6.050 -3.549 -9.156 1.00 35.34 H new ATOM 0 HH TYR A 30 -5.309 -0.081 -9.581 1.00 3.23 H new ATOM 537 N LYS A 31 -2.643 -7.102 -10.840 1.00 72.51 N ATOM 538 CA LYS A 31 -3.763 -7.659 -11.590 1.00 23.50 C ATOM 539 C LYS A 31 -5.093 -7.249 -10.967 1.00 10.31 C ATOM 540 O LYS A 31 -5.202 -7.109 -9.748 1.00 74.13 O ATOM 541 CB LYS A 31 -3.661 -9.186 -11.640 1.00 44.43 C ATOM 542 CG LYS A 31 -4.936 -9.865 -12.108 1.00 64.45 C ATOM 543 CD LYS A 31 -4.697 -11.328 -12.444 1.00 21.10 C ATOM 544 CE LYS A 31 -6.007 -12.086 -12.596 1.00 22.11 C ATOM 545 NZ LYS A 31 -5.935 -13.445 -11.990 1.00 40.50 N ATOM 0 H LYS A 31 -2.201 -7.757 -10.195 1.00 72.51 H new ATOM 0 HA LYS A 31 -3.720 -7.264 -12.605 1.00 23.50 H new ATOM 0 HB2 LYS A 31 -2.845 -9.466 -12.306 1.00 44.43 H new ATOM 0 HB3 LYS A 31 -3.404 -9.557 -10.648 1.00 44.43 H new ATOM 0 HG2 LYS A 31 -5.696 -9.789 -11.331 1.00 64.45 H new ATOM 0 HG3 LYS A 31 -5.324 -9.348 -12.986 1.00 64.45 H new ATOM 0 HD2 LYS A 31 -4.124 -11.401 -13.368 1.00 21.10 H new ATOM 0 HD3 LYS A 31 -4.097 -11.789 -11.659 1.00 21.10 H new ATOM 0 HE2 LYS A 31 -6.811 -11.520 -12.125 1.00 22.11 H new ATOM 0 HE3 LYS A 31 -6.256 -12.173 -13.654 1.00 22.11 H new ATOM 0 HZ1 LYS A 31 -6.847 -13.929 -12.114 1.00 40.50 H new ATOM 0 HZ2 LYS A 31 -5.185 -13.994 -12.457 1.00 40.50 H new ATOM 0 HZ3 LYS A 31 -5.723 -13.362 -10.975 1.00 40.50 H new ATOM 559 N HIS A 32 -6.103 -7.058 -11.810 1.00 44.24 N ATOM 560 CA HIS A 32 -7.427 -6.665 -11.341 1.00 63.14 C ATOM 561 C HIS A 32 -8.514 -7.461 -12.057 1.00 15.51 C ATOM 562 O HIS A 32 -8.328 -7.908 -13.188 1.00 12.42 O ATOM 563 CB HIS A 32 -7.645 -5.168 -11.561 1.00 54.10 C ATOM 564 CG HIS A 32 -8.712 -4.584 -10.687 1.00 54.12 C ATOM 565 ND1 HIS A 32 -8.657 -4.614 -9.310 1.00 0.43 N ATOM 566 CD2 HIS A 32 -9.867 -3.951 -11.002 1.00 44.22 C ATOM 567 CE1 HIS A 32 -9.732 -4.026 -8.815 1.00 43.43 C ATOM 568 NE2 HIS A 32 -10.482 -3.614 -9.822 1.00 23.14 N ATOM 0 H HIS A 32 -6.030 -7.169 -12.821 1.00 44.24 H new ATOM 0 HA HIS A 32 -7.487 -6.880 -10.274 1.00 63.14 H new ATOM 0 HB2 HIS A 32 -6.708 -4.642 -11.378 1.00 54.10 H new ATOM 0 HB3 HIS A 32 -7.908 -4.997 -12.605 1.00 54.10 H new ATOM 0 HD2 HIS A 32 -10.236 -3.749 -11.997 1.00 44.22 H new ATOM 0 HE1 HIS A 32 -9.959 -3.903 -7.766 1.00 43.43 H new ATOM 0 HE2 HIS A 32 -11.373 -3.125 -9.736 1.00 23.14 H new ATOM 576 N GLY A 33 -9.651 -7.634 -11.389 1.00 10.42 N ATOM 577 CA GLY A 33 -10.751 -8.376 -11.976 1.00 51.12 C ATOM 578 C GLY A 33 -11.218 -7.779 -13.289 1.00 1.20 C ATOM 579 O GLY A 33 -10.618 -6.831 -13.794 1.00 43.34 O ATOM 0 H GLY A 33 -9.829 -7.273 -10.452 1.00 10.42 H new ATOM 0 HA2 GLY A 33 -10.442 -9.409 -12.139 1.00 51.12 H new ATOM 0 HA3 GLY A 33 -11.585 -8.400 -11.274 1.00 51.12 H new ATOM 583 N GLN A 34 -12.290 -8.336 -13.843 1.00 12.25 N ATOM 584 CA GLN A 34 -12.835 -7.853 -15.106 1.00 62.11 C ATOM 585 C GLN A 34 -11.855 -8.097 -16.249 1.00 53.45 C ATOM 586 O GLN A 34 -12.024 -7.568 -17.347 1.00 44.15 O ATOM 587 CB GLN A 34 -13.162 -6.362 -15.008 1.00 74.21 C ATOM 588 CG GLN A 34 -13.986 -5.999 -13.783 1.00 30.50 C ATOM 589 CD GLN A 34 -15.317 -6.724 -13.739 1.00 40.11 C ATOM 590 OE1 GLN A 34 -15.827 -7.172 -14.766 1.00 72.03 O ATOM 591 NE2 GLN A 34 -15.887 -6.843 -12.546 1.00 34.11 N ATOM 0 H GLN A 34 -12.798 -9.122 -13.437 1.00 12.25 H new ATOM 0 HA GLN A 34 -13.752 -8.405 -15.313 1.00 62.11 H new ATOM 0 HB2 GLN A 34 -12.231 -5.795 -14.991 1.00 74.21 H new ATOM 0 HB3 GLN A 34 -13.704 -6.058 -15.903 1.00 74.21 H new ATOM 0 HG2 GLN A 34 -13.417 -6.237 -12.884 1.00 30.50 H new ATOM 0 HG3 GLN A 34 -14.162 -4.923 -13.774 1.00 30.50 H new ATOM 0 HE21 GLN A 34 -15.429 -6.456 -11.721 1.00 34.11 H new ATOM 0 HE22 GLN A 34 -16.783 -7.321 -12.454 1.00 34.11 H new ATOM 600 N GLY A 35 -10.830 -8.901 -15.983 1.00 54.23 N ATOM 601 CA GLY A 35 -9.839 -9.200 -17.000 1.00 4.42 C ATOM 602 C GLY A 35 -8.996 -7.992 -17.361 1.00 33.24 C ATOM 603 O GLY A 35 -8.511 -7.880 -18.486 1.00 62.03 O ATOM 0 H GLY A 35 -10.668 -9.350 -15.082 1.00 54.23 H new ATOM 0 HA2 GLY A 35 -9.189 -10.000 -16.646 1.00 4.42 H new ATOM 0 HA3 GLY A 35 -10.341 -9.570 -17.894 1.00 4.42 H new ATOM 607 N TRP A 36 -8.824 -7.087 -16.405 1.00 2.52 N ATOM 608 CA TRP A 36 -8.035 -5.880 -16.629 1.00 14.03 C ATOM 609 C TRP A 36 -6.895 -5.780 -15.621 1.00 55.22 C ATOM 610 O TRP A 36 -7.084 -6.025 -14.429 1.00 12.42 O ATOM 611 CB TRP A 36 -8.926 -4.640 -16.535 1.00 44.33 C ATOM 612 CG TRP A 36 -9.891 -4.514 -17.675 1.00 31.31 C ATOM 613 CD1 TRP A 36 -11.225 -4.808 -17.655 1.00 63.13 C ATOM 614 CD2 TRP A 36 -9.597 -4.064 -19.002 1.00 22.13 C ATOM 615 NE1 TRP A 36 -11.777 -4.568 -18.890 1.00 52.42 N ATOM 616 CE2 TRP A 36 -10.800 -4.110 -19.733 1.00 44.35 C ATOM 617 CE3 TRP A 36 -8.435 -3.625 -19.642 1.00 51.13 C ATOM 618 CZ2 TRP A 36 -10.871 -3.734 -21.072 1.00 42.02 C ATOM 619 CZ3 TRP A 36 -8.507 -3.253 -20.971 1.00 54.41 C ATOM 620 CH2 TRP A 36 -9.718 -3.308 -21.674 1.00 71.23 C ATOM 0 H TRP A 36 -9.219 -7.165 -15.468 1.00 2.52 H new ATOM 0 HA TRP A 36 -7.606 -5.936 -17.629 1.00 14.03 H new ATOM 0 HB2 TRP A 36 -9.483 -4.672 -15.599 1.00 44.33 H new ATOM 0 HB3 TRP A 36 -8.296 -3.751 -16.501 1.00 44.33 H new ATOM 0 HD1 TRP A 36 -11.766 -5.175 -16.795 1.00 63.13 H new ATOM 0 HE1 TRP A 36 -12.756 -4.708 -19.139 1.00 52.42 H new ATOM 0 HE3 TRP A 36 -7.498 -3.577 -19.108 1.00 51.13 H new ATOM 0 HZ2 TRP A 36 -11.803 -3.777 -21.616 1.00 42.02 H new ATOM 0 HZ3 TRP A 36 -7.615 -2.914 -21.476 1.00 54.41 H new ATOM 0 HH2 TRP A 36 -9.742 -3.008 -22.711 1.00 71.23 H new ATOM 631 N LEU A 37 -5.713 -5.419 -16.106 1.00 42.45 N ATOM 632 CA LEU A 37 -4.541 -5.286 -15.247 1.00 55.42 C ATOM 633 C LEU A 37 -3.952 -3.882 -15.344 1.00 22.23 C ATOM 634 O LEU A 37 -3.728 -3.365 -16.438 1.00 72.34 O ATOM 635 CB LEU A 37 -3.484 -6.323 -15.629 1.00 50.10 C ATOM 636 CG LEU A 37 -4.003 -7.595 -16.300 1.00 32.10 C ATOM 637 CD1 LEU A 37 -2.852 -8.530 -16.635 1.00 65.00 C ATOM 638 CD2 LEU A 37 -5.017 -8.294 -15.406 1.00 11.12 C ATOM 0 H LEU A 37 -5.540 -5.213 -17.090 1.00 42.45 H new ATOM 0 HA LEU A 37 -4.854 -5.458 -14.217 1.00 55.42 H new ATOM 0 HB2 LEU A 37 -2.766 -5.850 -16.299 1.00 50.10 H new ATOM 0 HB3 LEU A 37 -2.941 -6.607 -14.728 1.00 50.10 H new ATOM 0 HG LEU A 37 -4.499 -7.316 -17.229 1.00 32.10 H new ATOM 0 HD11 LEU A 37 -3.241 -9.430 -17.112 1.00 65.00 H new ATOM 0 HD12 LEU A 37 -2.162 -8.029 -17.314 1.00 65.00 H new ATOM 0 HD13 LEU A 37 -2.327 -8.803 -15.720 1.00 65.00 H new ATOM 0 HD21 LEU A 37 -5.376 -9.197 -15.900 1.00 11.12 H new ATOM 0 HD22 LEU A 37 -4.545 -8.560 -14.460 1.00 11.12 H new ATOM 0 HD23 LEU A 37 -5.857 -7.626 -15.217 1.00 11.12 H new ATOM 650 N VAL A 38 -3.700 -3.271 -14.190 1.00 62.15 N ATOM 651 CA VAL A 38 -3.133 -1.929 -14.145 1.00 4.34 C ATOM 652 C VAL A 38 -1.630 -1.958 -14.399 1.00 63.12 C ATOM 653 O VAL A 38 -0.861 -2.459 -13.580 1.00 22.53 O ATOM 654 CB VAL A 38 -3.399 -1.253 -12.786 1.00 61.03 C ATOM 655 CG1 VAL A 38 -2.903 0.185 -12.799 1.00 24.24 C ATOM 656 CG2 VAL A 38 -4.880 -1.312 -12.444 1.00 1.32 C ATOM 0 H VAL A 38 -3.880 -3.684 -13.275 1.00 62.15 H new ATOM 0 HA VAL A 38 -3.621 -1.353 -14.932 1.00 4.34 H new ATOM 0 HB VAL A 38 -2.849 -1.794 -12.016 1.00 61.03 H new ATOM 0 HG11 VAL A 38 -3.099 0.646 -11.831 1.00 24.24 H new ATOM 0 HG12 VAL A 38 -1.831 0.198 -12.997 1.00 24.24 H new ATOM 0 HG13 VAL A 38 -3.423 0.742 -13.579 1.00 24.24 H new ATOM 0 HG21 VAL A 38 -5.051 -0.830 -11.481 1.00 1.32 H new ATOM 0 HG22 VAL A 38 -5.452 -0.796 -13.215 1.00 1.32 H new ATOM 0 HG23 VAL A 38 -5.200 -2.353 -12.391 1.00 1.32 H new ATOM 666 N ALA A 39 -1.218 -1.417 -15.541 1.00 1.20 N ATOM 667 CA ALA A 39 0.194 -1.379 -15.903 1.00 15.51 C ATOM 668 C ALA A 39 0.604 0.016 -16.365 1.00 22.53 C ATOM 669 O ALA A 39 -0.244 0.875 -16.602 1.00 62.13 O ATOM 670 CB ALA A 39 0.488 -2.404 -16.988 1.00 22.15 C ATOM 0 H ALA A 39 -1.842 -0.999 -16.231 1.00 1.20 H new ATOM 0 HA ALA A 39 0.778 -1.627 -15.017 1.00 15.51 H new ATOM 0 HB1 ALA A 39 1.546 -2.365 -17.249 1.00 22.15 H new ATOM 0 HB2 ALA A 39 0.241 -3.401 -16.623 1.00 22.15 H new ATOM 0 HB3 ALA A 39 -0.112 -2.182 -17.871 1.00 22.15 H new ATOM 676 N GLU A 40 1.910 0.232 -16.489 1.00 10.22 N ATOM 677 CA GLU A 40 2.432 1.523 -16.921 1.00 13.42 C ATOM 678 C GLU A 40 3.281 1.373 -18.180 1.00 2.54 C ATOM 679 O GLU A 40 3.766 0.286 -18.488 1.00 20.32 O ATOM 680 CB GLU A 40 3.262 2.162 -15.805 1.00 52.13 C ATOM 681 CG GLU A 40 4.546 1.411 -15.496 1.00 42.43 C ATOM 682 CD GLU A 40 4.595 0.902 -14.069 1.00 21.11 C ATOM 683 OE1 GLU A 40 3.876 -0.072 -13.762 1.00 72.04 O ATOM 684 OE2 GLU A 40 5.352 1.477 -13.259 1.00 32.52 O ATOM 0 H GLU A 40 2.625 -0.470 -16.297 1.00 10.22 H new ATOM 0 HA GLU A 40 1.585 2.170 -17.150 1.00 13.42 H new ATOM 0 HB2 GLU A 40 3.509 3.185 -16.087 1.00 52.13 H new ATOM 0 HB3 GLU A 40 2.657 2.218 -14.900 1.00 52.13 H new ATOM 0 HG2 GLU A 40 4.644 0.569 -16.182 1.00 42.43 H new ATOM 0 HG3 GLU A 40 5.398 2.067 -15.673 1.00 42.43 H new ATOM 691 N ASN A 41 3.456 2.475 -18.903 1.00 72.41 N ATOM 692 CA ASN A 41 4.245 2.466 -20.129 1.00 44.23 C ATOM 693 C ASN A 41 5.671 1.999 -19.855 1.00 24.42 C ATOM 694 O ASN A 41 5.999 1.599 -18.738 1.00 45.12 O ATOM 695 CB ASN A 41 4.266 3.861 -20.757 1.00 1.52 C ATOM 696 CG ASN A 41 4.817 4.912 -19.812 1.00 42.11 C ATOM 697 OD1 ASN A 41 5.031 4.648 -18.629 1.00 21.01 O ATOM 698 ND2 ASN A 41 5.050 6.112 -20.332 1.00 74.43 N ATOM 0 H ASN A 41 3.062 3.384 -18.661 1.00 72.41 H new ATOM 0 HA ASN A 41 3.780 1.768 -20.825 1.00 44.23 H new ATOM 0 HB2 ASN A 41 4.870 3.839 -21.664 1.00 1.52 H new ATOM 0 HB3 ASN A 41 3.255 4.138 -21.054 1.00 1.52 H new ATOM 0 HD21 ASN A 41 5.421 6.859 -19.745 1.00 74.43 H new ATOM 0 HD22 ASN A 41 4.858 6.286 -21.318 1.00 74.43 H new ATOM 705 N GLU A 42 6.514 2.052 -20.882 1.00 1.33 N ATOM 706 CA GLU A 42 7.905 1.634 -20.750 1.00 73.14 C ATOM 707 C GLU A 42 8.734 2.711 -20.057 1.00 12.03 C ATOM 708 O GLU A 42 9.629 2.408 -19.268 1.00 12.53 O ATOM 709 CB GLU A 42 8.499 1.324 -22.126 1.00 3.11 C ATOM 710 CG GLU A 42 9.863 0.657 -22.063 1.00 71.22 C ATOM 711 CD GLU A 42 10.505 0.513 -23.429 1.00 45.32 C ATOM 712 OE1 GLU A 42 10.039 1.180 -24.376 1.00 42.55 O ATOM 713 OE2 GLU A 42 11.474 -0.266 -23.551 1.00 53.32 O ATOM 0 H GLU A 42 6.258 2.380 -21.813 1.00 1.33 H new ATOM 0 HA GLU A 42 7.930 0.732 -20.139 1.00 73.14 H new ATOM 0 HB2 GLU A 42 7.812 0.677 -22.672 1.00 3.11 H new ATOM 0 HB3 GLU A 42 8.583 2.251 -22.694 1.00 3.11 H new ATOM 0 HG2 GLU A 42 10.519 1.240 -21.417 1.00 71.22 H new ATOM 0 HG3 GLU A 42 9.761 -0.328 -21.608 1.00 71.22 H new ATOM 720 N SER A 43 8.429 3.969 -20.358 1.00 3.42 N ATOM 721 CA SER A 43 9.148 5.092 -19.767 1.00 44.13 C ATOM 722 C SER A 43 8.806 5.239 -18.288 1.00 30.12 C ATOM 723 O SER A 43 9.566 5.824 -17.518 1.00 44.42 O ATOM 724 CB SER A 43 8.814 6.387 -20.511 1.00 23.14 C ATOM 725 OG SER A 43 9.433 7.503 -19.894 1.00 60.15 O ATOM 0 H SER A 43 7.689 4.236 -21.007 1.00 3.42 H new ATOM 0 HA SER A 43 10.216 4.895 -19.857 1.00 44.13 H new ATOM 0 HB2 SER A 43 9.144 6.311 -21.547 1.00 23.14 H new ATOM 0 HB3 SER A 43 7.734 6.531 -20.530 1.00 23.14 H new ATOM 0 HG SER A 43 9.206 8.318 -20.389 1.00 60.15 H new ATOM 731 N GLY A 44 7.654 4.702 -17.897 1.00 70.22 N ATOM 732 CA GLY A 44 7.230 4.783 -16.512 1.00 14.22 C ATOM 733 C GLY A 44 6.709 6.159 -16.145 1.00 34.41 C ATOM 734 O GLY A 44 6.766 6.562 -14.983 1.00 75.22 O ATOM 0 H GLY A 44 7.007 4.212 -18.515 1.00 70.22 H new ATOM 0 HA2 GLY A 44 6.451 4.042 -16.330 1.00 14.22 H new ATOM 0 HA3 GLY A 44 8.069 4.530 -15.863 1.00 14.22 H new ATOM 738 N SER A 45 6.201 6.882 -17.138 1.00 32.31 N ATOM 739 CA SER A 45 5.673 8.222 -16.915 1.00 14.43 C ATOM 740 C SER A 45 4.149 8.226 -16.994 1.00 10.25 C ATOM 741 O SER A 45 3.491 9.131 -16.479 1.00 72.31 O ATOM 742 CB SER A 45 6.250 9.198 -17.941 1.00 42.55 C ATOM 743 OG SER A 45 6.011 10.542 -17.559 1.00 24.23 O ATOM 0 H SER A 45 6.144 6.562 -18.105 1.00 32.31 H new ATOM 0 HA SER A 45 5.969 8.540 -15.915 1.00 14.43 H new ATOM 0 HB2 SER A 45 7.322 9.031 -18.043 1.00 42.55 H new ATOM 0 HB3 SER A 45 5.804 9.010 -18.917 1.00 42.55 H new ATOM 0 HG SER A 45 6.391 11.146 -18.231 1.00 24.23 H new ATOM 749 N LYS A 46 3.594 7.208 -17.642 1.00 30.22 N ATOM 750 CA LYS A 46 2.148 7.090 -17.789 1.00 1.43 C ATOM 751 C LYS A 46 1.663 5.723 -17.317 1.00 55.42 C ATOM 752 O LYS A 46 2.282 4.699 -17.605 1.00 43.05 O ATOM 753 CB LYS A 46 1.743 7.312 -19.248 1.00 23.22 C ATOM 754 CG LYS A 46 1.312 6.041 -19.959 1.00 35.02 C ATOM 755 CD LYS A 46 0.978 6.304 -21.418 1.00 14.14 C ATOM 756 CE LYS A 46 2.198 6.776 -22.193 1.00 24.34 C ATOM 757 NZ LYS A 46 1.969 8.097 -22.839 1.00 14.41 N ATOM 0 H LYS A 46 4.124 6.452 -18.074 1.00 30.22 H new ATOM 0 HA LYS A 46 1.681 7.855 -17.169 1.00 1.43 H new ATOM 0 HB2 LYS A 46 0.927 8.033 -19.284 1.00 23.22 H new ATOM 0 HB3 LYS A 46 2.582 7.753 -19.786 1.00 23.22 H new ATOM 0 HG2 LYS A 46 2.108 5.299 -19.895 1.00 35.02 H new ATOM 0 HG3 LYS A 46 0.442 5.619 -19.456 1.00 35.02 H new ATOM 0 HD2 LYS A 46 0.587 5.394 -21.872 1.00 14.14 H new ATOM 0 HD3 LYS A 46 0.192 7.056 -21.482 1.00 14.14 H new ATOM 0 HE2 LYS A 46 3.052 6.845 -21.519 1.00 24.34 H new ATOM 0 HE3 LYS A 46 2.452 6.039 -22.955 1.00 24.34 H new ATOM 0 HZ1 LYS A 46 2.716 8.275 -23.541 1.00 14.41 H new ATOM 0 HZ2 LYS A 46 1.043 8.096 -23.312 1.00 14.41 H new ATOM 0 HZ3 LYS A 46 1.988 8.845 -22.116 1.00 14.41 H new ATOM 771 N THR A 47 0.549 5.714 -16.591 1.00 74.15 N ATOM 772 CA THR A 47 -0.020 4.473 -16.081 1.00 12.14 C ATOM 773 C THR A 47 -1.512 4.388 -16.381 1.00 72.41 C ATOM 774 O THR A 47 -2.200 5.405 -16.453 1.00 33.14 O ATOM 775 CB THR A 47 0.194 4.341 -14.561 1.00 63.51 C ATOM 776 OG1 THR A 47 1.567 4.585 -14.237 1.00 4.41 O ATOM 777 CG2 THR A 47 -0.207 2.955 -14.077 1.00 12.53 C ATOM 0 H THR A 47 0.023 6.552 -16.343 1.00 74.15 H new ATOM 0 HA THR A 47 0.497 3.657 -16.586 1.00 12.14 H new ATOM 0 HB THR A 47 -0.434 5.079 -14.062 1.00 63.51 H new ATOM 0 HG1 THR A 47 1.695 4.501 -13.269 1.00 4.41 H new ATOM 0 HG21 THR A 47 -0.047 2.885 -13.001 1.00 12.53 H new ATOM 0 HG22 THR A 47 -1.260 2.782 -14.300 1.00 12.53 H new ATOM 0 HG23 THR A 47 0.399 2.203 -14.583 1.00 12.53 H new ATOM 785 N GLY A 48 -2.007 3.166 -16.556 1.00 31.11 N ATOM 786 CA GLY A 48 -3.416 2.971 -16.846 1.00 65.42 C ATOM 787 C GLY A 48 -3.808 1.507 -16.854 1.00 73.51 C ATOM 788 O GLY A 48 -3.088 0.660 -16.323 1.00 34.13 O ATOM 0 H GLY A 48 -1.458 2.308 -16.502 1.00 31.11 H new ATOM 0 HA2 GLY A 48 -4.013 3.500 -16.103 1.00 65.42 H new ATOM 0 HA3 GLY A 48 -3.649 3.412 -17.815 1.00 65.42 H new ATOM 792 N LEU A 49 -4.954 1.206 -17.456 1.00 45.34 N ATOM 793 CA LEU A 49 -5.442 -0.166 -17.530 1.00 74.20 C ATOM 794 C LEU A 49 -5.069 -0.807 -18.863 1.00 41.41 C ATOM 795 O LEU A 49 -5.146 -0.169 -19.913 1.00 74.04 O ATOM 796 CB LEU A 49 -6.960 -0.199 -17.343 1.00 53.52 C ATOM 797 CG LEU A 49 -7.485 0.350 -16.016 1.00 30.43 C ATOM 798 CD1 LEU A 49 -8.896 0.892 -16.183 1.00 0.04 C ATOM 799 CD2 LEU A 49 -7.450 -0.728 -14.942 1.00 65.43 C ATOM 0 H LEU A 49 -5.562 1.894 -17.900 1.00 45.34 H new ATOM 0 HA LEU A 49 -4.970 -0.736 -16.730 1.00 74.20 H new ATOM 0 HB2 LEU A 49 -7.418 0.367 -18.154 1.00 53.52 H new ATOM 0 HB3 LEU A 49 -7.296 -1.231 -17.445 1.00 53.52 H new ATOM 0 HG LEU A 49 -6.838 1.169 -15.702 1.00 30.43 H new ATOM 0 HD11 LEU A 49 -9.253 1.278 -15.228 1.00 0.04 H new ATOM 0 HD12 LEU A 49 -8.893 1.694 -16.921 1.00 0.04 H new ATOM 0 HD13 LEU A 49 -9.555 0.092 -16.520 1.00 0.04 H new ATOM 0 HD21 LEU A 49 -7.827 -0.320 -14.004 1.00 65.43 H new ATOM 0 HD22 LEU A 49 -8.073 -1.568 -15.249 1.00 65.43 H new ATOM 0 HD23 LEU A 49 -6.424 -1.070 -14.803 1.00 65.43 H new ATOM 811 N VAL A 50 -4.665 -2.072 -18.813 1.00 73.15 N ATOM 812 CA VAL A 50 -4.283 -2.800 -20.017 1.00 70.43 C ATOM 813 C VAL A 50 -4.846 -4.217 -20.004 1.00 63.33 C ATOM 814 O VAL A 50 -5.084 -4.808 -18.951 1.00 12.45 O ATOM 815 CB VAL A 50 -2.752 -2.869 -20.169 1.00 62.22 C ATOM 816 CG1 VAL A 50 -2.143 -1.479 -20.073 1.00 5.11 C ATOM 817 CG2 VAL A 50 -2.154 -3.796 -19.121 1.00 70.04 C ATOM 0 H VAL A 50 -4.594 -2.614 -17.952 1.00 73.15 H new ATOM 0 HA VAL A 50 -4.700 -2.254 -20.863 1.00 70.43 H new ATOM 0 HB VAL A 50 -2.520 -3.274 -21.154 1.00 62.22 H new ATOM 0 HG11 VAL A 50 -1.061 -1.548 -20.183 1.00 5.11 H new ATOM 0 HG12 VAL A 50 -2.549 -0.849 -20.864 1.00 5.11 H new ATOM 0 HG13 VAL A 50 -2.383 -1.043 -19.103 1.00 5.11 H new ATOM 0 HG21 VAL A 50 -1.071 -3.833 -19.243 1.00 70.04 H new ATOM 0 HG22 VAL A 50 -2.394 -3.423 -18.125 1.00 70.04 H new ATOM 0 HG23 VAL A 50 -2.567 -4.797 -19.243 1.00 70.04 H new ATOM 827 N PRO A 51 -5.063 -4.778 -21.203 1.00 72.50 N ATOM 828 CA PRO A 51 -5.600 -6.134 -21.357 1.00 24.02 C ATOM 829 C PRO A 51 -4.602 -7.204 -20.928 1.00 20.44 C ATOM 830 O PRO A 51 -3.392 -7.031 -21.071 1.00 53.23 O ATOM 831 CB PRO A 51 -5.881 -6.236 -22.858 1.00 64.11 C ATOM 832 CG PRO A 51 -4.946 -5.260 -23.486 1.00 13.05 C ATOM 833 CD PRO A 51 -4.802 -4.133 -22.501 1.00 21.05 C ATOM 0 HA PRO A 51 -6.479 -6.298 -20.733 1.00 24.02 H new ATOM 0 HB2 PRO A 51 -5.704 -7.247 -23.226 1.00 64.11 H new ATOM 0 HB3 PRO A 51 -6.919 -5.992 -23.084 1.00 64.11 H new ATOM 0 HG2 PRO A 51 -3.981 -5.722 -23.694 1.00 13.05 H new ATOM 0 HG3 PRO A 51 -5.339 -4.900 -24.437 1.00 13.05 H new ATOM 0 HD2 PRO A 51 -3.806 -3.692 -22.538 1.00 21.05 H new ATOM 0 HD3 PRO A 51 -5.513 -3.331 -22.701 1.00 21.05 H new ATOM 841 N GLU A 52 -5.118 -8.311 -20.401 1.00 2.41 N ATOM 842 CA GLU A 52 -4.270 -9.409 -19.951 1.00 13.43 C ATOM 843 C GLU A 52 -4.086 -10.443 -21.058 1.00 12.24 C ATOM 844 O GLU A 52 -3.062 -11.122 -21.122 1.00 33.24 O ATOM 845 CB GLU A 52 -4.874 -10.073 -18.712 1.00 21.32 C ATOM 846 CG GLU A 52 -4.017 -11.192 -18.143 1.00 75.11 C ATOM 847 CD GLU A 52 -4.290 -11.445 -16.673 1.00 25.31 C ATOM 848 OE1 GLU A 52 -5.469 -11.385 -16.268 1.00 72.23 O ATOM 849 OE2 GLU A 52 -3.322 -11.704 -15.927 1.00 64.02 O ATOM 0 H GLU A 52 -6.118 -8.471 -20.276 1.00 2.41 H new ATOM 0 HA GLU A 52 -3.293 -8.999 -19.695 1.00 13.43 H new ATOM 0 HB2 GLU A 52 -5.027 -9.316 -17.942 1.00 21.32 H new ATOM 0 HB3 GLU A 52 -5.856 -10.472 -18.966 1.00 21.32 H new ATOM 0 HG2 GLU A 52 -4.201 -12.107 -18.706 1.00 75.11 H new ATOM 0 HG3 GLU A 52 -2.964 -10.942 -18.276 1.00 75.11 H new ATOM 856 N GLU A 53 -5.086 -10.556 -21.926 1.00 52.23 N ATOM 857 CA GLU A 53 -5.035 -11.508 -23.029 1.00 40.04 C ATOM 858 C GLU A 53 -4.315 -10.907 -24.234 1.00 33.44 C ATOM 859 O GLU A 53 -4.294 -11.496 -25.315 1.00 3.40 O ATOM 860 CB GLU A 53 -6.449 -11.937 -23.428 1.00 44.01 C ATOM 861 CG GLU A 53 -6.694 -13.430 -23.287 1.00 11.20 C ATOM 862 CD GLU A 53 -7.223 -13.807 -21.917 1.00 21.12 C ATOM 863 OE1 GLU A 53 -6.905 -13.096 -20.941 1.00 42.00 O ATOM 864 OE2 GLU A 53 -7.956 -14.814 -21.821 1.00 65.10 O ATOM 0 H GLU A 53 -5.941 -10.001 -21.887 1.00 52.23 H new ATOM 0 HA GLU A 53 -4.478 -12.383 -22.694 1.00 40.04 H new ATOM 0 HB2 GLU A 53 -7.170 -11.399 -22.813 1.00 44.01 H new ATOM 0 HB3 GLU A 53 -6.631 -11.643 -24.462 1.00 44.01 H new ATOM 0 HG2 GLU A 53 -7.405 -13.751 -24.048 1.00 11.20 H new ATOM 0 HG3 GLU A 53 -5.764 -13.966 -23.473 1.00 11.20 H new ATOM 871 N PHE A 54 -3.727 -9.732 -24.038 1.00 54.32 N ATOM 872 CA PHE A 54 -3.008 -9.050 -25.108 1.00 2.45 C ATOM 873 C PHE A 54 -1.542 -8.846 -24.734 1.00 35.44 C ATOM 874 O PHE A 54 -0.779 -8.234 -25.480 1.00 64.22 O ATOM 875 CB PHE A 54 -3.661 -7.699 -25.410 1.00 23.32 C ATOM 876 CG PHE A 54 -4.518 -7.711 -26.643 1.00 14.32 C ATOM 877 CD1 PHE A 54 -5.269 -8.828 -26.970 1.00 61.53 C ATOM 878 CD2 PHE A 54 -4.574 -6.604 -27.474 1.00 54.31 C ATOM 879 CE1 PHE A 54 -6.058 -8.842 -28.105 1.00 12.22 C ATOM 880 CE2 PHE A 54 -5.362 -6.611 -28.610 1.00 33.02 C ATOM 881 CZ PHE A 54 -6.106 -7.731 -28.925 1.00 20.32 C ATOM 0 H PHE A 54 -3.734 -9.232 -23.149 1.00 54.32 H new ATOM 0 HA PHE A 54 -3.054 -9.676 -25.999 1.00 2.45 H new ATOM 0 HB2 PHE A 54 -4.270 -7.400 -24.557 1.00 23.32 H new ATOM 0 HB3 PHE A 54 -2.882 -6.945 -25.526 1.00 23.32 H new ATOM 0 HD1 PHE A 54 -5.238 -9.698 -26.331 1.00 61.53 H new ATOM 0 HD2 PHE A 54 -3.995 -5.725 -27.232 1.00 54.31 H new ATOM 0 HE1 PHE A 54 -6.636 -9.720 -28.351 1.00 12.22 H new ATOM 0 HE2 PHE A 54 -5.396 -5.742 -29.250 1.00 33.02 H new ATOM 0 HZ PHE A 54 -6.724 -7.738 -29.811 1.00 20.32 H new ATOM 891 N VAL A 55 -1.157 -9.364 -23.572 1.00 32.25 N ATOM 892 CA VAL A 55 0.216 -9.241 -23.097 1.00 40.24 C ATOM 893 C VAL A 55 0.733 -10.570 -22.558 1.00 14.24 C ATOM 894 O VAL A 55 -0.044 -11.488 -22.293 1.00 44.11 O ATOM 895 CB VAL A 55 0.336 -8.171 -21.996 1.00 55.30 C ATOM 896 CG1 VAL A 55 0.070 -6.786 -22.566 1.00 13.31 C ATOM 897 CG2 VAL A 55 -0.618 -8.477 -20.851 1.00 4.14 C ATOM 0 H VAL A 55 -1.777 -9.873 -22.942 1.00 32.25 H new ATOM 0 HA VAL A 55 0.820 -8.940 -23.953 1.00 40.24 H new ATOM 0 HB VAL A 55 1.354 -8.188 -21.606 1.00 55.30 H new ATOM 0 HG11 VAL A 55 0.159 -6.043 -21.773 1.00 13.31 H new ATOM 0 HG12 VAL A 55 0.796 -6.570 -23.350 1.00 13.31 H new ATOM 0 HG13 VAL A 55 -0.936 -6.752 -22.984 1.00 13.31 H new ATOM 0 HG21 VAL A 55 -0.520 -7.711 -20.082 1.00 4.14 H new ATOM 0 HG22 VAL A 55 -1.642 -8.488 -21.224 1.00 4.14 H new ATOM 0 HG23 VAL A 55 -0.376 -9.451 -20.426 1.00 4.14 H new ATOM 907 N SER A 56 2.048 -10.665 -22.396 1.00 24.30 N ATOM 908 CA SER A 56 2.670 -11.884 -21.890 1.00 41.35 C ATOM 909 C SER A 56 3.741 -11.557 -20.854 1.00 65.45 C ATOM 910 O SER A 56 4.727 -10.884 -21.155 1.00 42.25 O ATOM 911 CB SER A 56 3.284 -12.684 -23.041 1.00 51.51 C ATOM 912 OG SER A 56 3.805 -13.919 -22.582 1.00 41.14 O ATOM 0 H SER A 56 2.704 -9.913 -22.607 1.00 24.30 H new ATOM 0 HA SER A 56 1.897 -12.485 -21.411 1.00 41.35 H new ATOM 0 HB2 SER A 56 2.528 -12.866 -23.805 1.00 51.51 H new ATOM 0 HB3 SER A 56 4.078 -12.102 -23.510 1.00 51.51 H new ATOM 0 HG SER A 56 4.190 -14.412 -23.336 1.00 41.14 H new ATOM 918 N TYR A 57 3.541 -12.040 -19.633 1.00 53.23 N ATOM 919 CA TYR A 57 4.487 -11.798 -18.551 1.00 23.11 C ATOM 920 C TYR A 57 5.895 -12.231 -18.951 1.00 55.42 C ATOM 921 O TYR A 57 6.087 -13.306 -19.519 1.00 62.12 O ATOM 922 CB TYR A 57 4.052 -12.544 -17.289 1.00 21.34 C ATOM 923 CG TYR A 57 3.137 -11.739 -16.394 1.00 50.22 C ATOM 924 CD1 TYR A 57 2.092 -10.993 -16.926 1.00 63.45 C ATOM 925 CD2 TYR A 57 3.317 -11.724 -15.016 1.00 74.14 C ATOM 926 CE1 TYR A 57 1.254 -10.255 -16.113 1.00 65.50 C ATOM 927 CE2 TYR A 57 2.483 -10.990 -14.195 1.00 73.31 C ATOM 928 CZ TYR A 57 1.453 -10.257 -14.748 1.00 64.32 C ATOM 929 OH TYR A 57 0.620 -9.525 -13.934 1.00 41.43 O ATOM 0 H TYR A 57 2.732 -12.602 -19.368 1.00 53.23 H new ATOM 0 HA TYR A 57 4.500 -10.727 -18.346 1.00 23.11 H new ATOM 0 HB2 TYR A 57 3.545 -13.465 -17.578 1.00 21.34 H new ATOM 0 HB3 TYR A 57 4.938 -12.832 -16.724 1.00 21.34 H new ATOM 0 HD1 TYR A 57 1.932 -10.990 -17.994 1.00 63.45 H new ATOM 0 HD2 TYR A 57 4.123 -12.296 -14.580 1.00 74.14 H new ATOM 0 HE1 TYR A 57 0.448 -9.680 -16.544 1.00 65.50 H new ATOM 0 HE2 TYR A 57 2.636 -10.990 -13.126 1.00 73.31 H new ATOM 0 HH TYR A 57 0.896 -9.635 -13.000 1.00 41.43 H new ATOM 939 N ILE A 58 6.874 -11.385 -18.650 1.00 63.11 N ATOM 940 CA ILE A 58 8.264 -11.680 -18.976 1.00 40.43 C ATOM 941 C ILE A 58 9.028 -12.157 -17.746 1.00 2.20 C ATOM 942 O ILE A 58 8.710 -11.776 -16.620 1.00 1.31 O ATOM 943 CB ILE A 58 8.978 -10.448 -19.564 1.00 55.21 C ATOM 944 CG1 ILE A 58 8.131 -9.822 -20.675 1.00 32.54 C ATOM 945 CG2 ILE A 58 10.352 -10.833 -20.091 1.00 74.25 C ATOM 946 CD1 ILE A 58 8.728 -8.557 -21.250 1.00 60.51 C ATOM 0 H ILE A 58 6.731 -10.490 -18.181 1.00 63.11 H new ATOM 0 HA ILE A 58 8.251 -12.474 -19.723 1.00 40.43 H new ATOM 0 HB ILE A 58 9.108 -9.710 -18.773 1.00 55.21 H new ATOM 0 HG12 ILE A 58 8.002 -10.550 -21.476 1.00 32.54 H new ATOM 0 HG13 ILE A 58 7.139 -9.600 -20.283 1.00 32.54 H new ATOM 0 HG21 ILE A 58 10.844 -9.952 -20.503 1.00 74.25 H new ATOM 0 HG22 ILE A 58 10.954 -11.237 -19.277 1.00 74.25 H new ATOM 0 HG23 ILE A 58 10.244 -11.587 -20.871 1.00 74.25 H new ATOM 0 HD11 ILE A 58 8.075 -8.169 -22.032 1.00 60.51 H new ATOM 0 HD12 ILE A 58 8.832 -7.812 -20.461 1.00 60.51 H new ATOM 0 HD13 ILE A 58 9.708 -8.777 -21.673 1.00 60.51 H new ATOM 958 N GLN A 59 10.038 -12.991 -17.970 1.00 61.33 N ATOM 959 CA GLN A 59 10.849 -13.519 -16.879 1.00 74.53 C ATOM 960 C GLN A 59 12.335 -13.363 -17.181 1.00 25.03 C ATOM 961 O GLN A 59 12.746 -13.180 -18.327 1.00 74.11 O ATOM 962 CB GLN A 59 10.518 -14.993 -16.637 1.00 75.10 C ATOM 963 CG GLN A 59 9.556 -15.219 -15.481 1.00 41.43 C ATOM 964 CD GLN A 59 8.547 -16.313 -15.767 1.00 54.20 C ATOM 965 OE1 GLN A 59 8.133 -16.509 -16.910 1.00 51.32 O ATOM 966 NE2 GLN A 59 8.144 -17.033 -14.727 1.00 31.51 N ATOM 0 H GLN A 59 10.314 -13.316 -18.897 1.00 61.33 H new ATOM 0 HA GLN A 59 10.618 -12.949 -15.979 1.00 74.53 H new ATOM 0 HB2 GLN A 59 10.087 -15.414 -17.545 1.00 75.10 H new ATOM 0 HB3 GLN A 59 11.442 -15.537 -16.441 1.00 75.10 H new ATOM 0 HG2 GLN A 59 10.123 -15.478 -14.587 1.00 41.43 H new ATOM 0 HG3 GLN A 59 9.028 -14.290 -15.266 1.00 41.43 H new ATOM 0 HE21 GLN A 59 8.513 -16.836 -13.797 1.00 31.51 H new ATOM 0 HE22 GLN A 59 7.465 -17.783 -14.858 1.00 31.51 H new ATOM 1068 N PHE B -7 -8.232 4.073 -11.501 1.00 43.50 N ATOM 1069 CA PHE B -7 -8.674 3.322 -12.670 1.00 33.45 C ATOM 1070 C PHE B -7 -9.809 2.368 -12.305 1.00 42.42 C ATOM 1071 O PHE B -7 -9.722 1.629 -11.324 1.00 44.31 O ATOM 1072 CB PHE B -7 -7.506 2.536 -13.270 1.00 12.44 C ATOM 1073 CG PHE B -7 -6.238 3.334 -13.372 1.00 44.04 C ATOM 1074 CD1 PHE B -7 -6.264 4.649 -13.809 1.00 63.42 C ATOM 1075 CD2 PHE B -7 -5.019 2.769 -13.033 1.00 20.13 C ATOM 1076 CE1 PHE B -7 -5.098 5.386 -13.905 1.00 32.44 C ATOM 1077 CE2 PHE B -7 -3.850 3.501 -13.126 1.00 14.04 C ATOM 1078 CZ PHE B -7 -3.890 4.811 -13.563 1.00 61.53 C ATOM 0 H1 PHE B -7 -7.330 4.545 -11.713 1.00 43.50 H new ATOM 0 H2 PHE B -7 -8.948 4.787 -11.256 1.00 43.50 H new ATOM 0 H3 PHE B -7 -8.103 3.423 -10.699 1.00 43.50 H new ATOM 0 HA PHE B -7 -9.042 4.033 -13.410 1.00 33.45 H new ATOM 0 HB2 PHE B -7 -7.322 1.652 -12.660 1.00 12.44 H new ATOM 0 HB3 PHE B -7 -7.786 2.185 -14.263 1.00 12.44 H new ATOM 0 HD1 PHE B -7 -7.206 5.103 -14.078 1.00 63.42 H new ATOM 0 HD2 PHE B -7 -4.982 1.745 -12.692 1.00 20.13 H new ATOM 0 HE1 PHE B -7 -5.132 6.410 -14.247 1.00 32.44 H new ATOM 0 HE2 PHE B -7 -2.906 3.049 -12.857 1.00 14.04 H new ATOM 0 HZ PHE B -7 -2.978 5.385 -13.637 1.00 61.53 H new ATOM 1088 N ILE B -6 -10.872 2.392 -13.102 1.00 20.03 N ATOM 1089 CA ILE B -6 -12.023 1.530 -12.864 1.00 12.21 C ATOM 1090 C ILE B -6 -12.656 1.083 -14.177 1.00 63.14 C ATOM 1091 O ILE B -6 -13.569 1.719 -14.704 1.00 3.30 O ATOM 1092 CB ILE B -6 -13.090 2.239 -12.009 1.00 0.13 C ATOM 1093 CG1 ILE B -6 -12.508 2.630 -10.649 1.00 4.02 C ATOM 1094 CG2 ILE B -6 -14.308 1.344 -11.832 1.00 43.30 C ATOM 1095 CD1 ILE B -6 -12.167 1.444 -9.774 1.00 1.01 C ATOM 0 H ILE B -6 -10.960 2.998 -13.917 1.00 20.03 H new ATOM 0 HA ILE B -6 -11.657 0.657 -12.324 1.00 12.21 H new ATOM 0 HB ILE B -6 -13.402 3.147 -12.524 1.00 0.13 H new ATOM 0 HG12 ILE B -6 -11.609 3.226 -10.805 1.00 4.02 H new ATOM 0 HG13 ILE B -6 -13.224 3.264 -10.125 1.00 4.02 H new ATOM 0 HG21 ILE B -6 -15.053 1.859 -11.226 1.00 43.30 H new ATOM 0 HG22 ILE B -6 -14.733 1.111 -12.808 1.00 43.30 H new ATOM 0 HG23 ILE B -6 -14.012 0.420 -11.335 1.00 43.30 H new ATOM 0 HD11 ILE B -6 -11.760 1.796 -8.826 1.00 1.01 H new ATOM 0 HD12 ILE B -6 -13.068 0.859 -9.587 1.00 1.01 H new ATOM 0 HD13 ILE B -6 -11.428 0.821 -10.278 1.00 1.01 H new ATOM 1107 N PRO B -5 -12.162 -0.040 -14.720 1.00 5.21 N ATOM 1108 CA PRO B -5 -12.665 -0.599 -15.978 1.00 32.43 C ATOM 1109 C PRO B -5 -14.072 -1.171 -15.836 1.00 1.50 C ATOM 1110 O PRO B -5 -14.348 -1.947 -14.922 1.00 25.42 O ATOM 1111 CB PRO B -5 -11.665 -1.714 -16.296 1.00 12.22 C ATOM 1112 CG PRO B -5 -11.101 -2.106 -14.974 1.00 14.54 C ATOM 1113 CD PRO B -5 -11.073 -0.850 -14.147 1.00 14.21 C ATOM 0 HA PRO B -5 -12.743 0.158 -16.758 1.00 32.43 H new ATOM 0 HB2 PRO B -5 -12.154 -2.557 -16.783 1.00 12.22 H new ATOM 0 HB3 PRO B -5 -10.884 -1.365 -16.972 1.00 12.22 H new ATOM 0 HG2 PRO B -5 -11.714 -2.872 -14.500 1.00 14.54 H new ATOM 0 HG3 PRO B -5 -10.100 -2.523 -15.085 1.00 14.54 H new ATOM 0 HD2 PRO B -5 -11.242 -1.060 -13.091 1.00 14.21 H new ATOM 0 HD3 PRO B -5 -10.112 -0.341 -14.221 1.00 14.21 H new ATOM 1121 N SER B -4 -14.958 -0.781 -16.747 1.00 14.25 N ATOM 1122 CA SER B -4 -16.338 -1.252 -16.721 1.00 12.14 C ATOM 1123 C SER B -4 -16.754 -1.790 -18.086 1.00 72.22 C ATOM 1124 O SER B -4 -17.628 -1.229 -18.747 1.00 41.41 O ATOM 1125 CB SER B -4 -17.278 -0.121 -16.298 1.00 4.30 C ATOM 1126 OG SER B -4 -18.634 -0.498 -16.458 1.00 52.21 O ATOM 0 H SER B -4 -14.745 -0.141 -17.512 1.00 14.25 H new ATOM 0 HA SER B -4 -16.406 -2.062 -15.994 1.00 12.14 H new ATOM 0 HB2 SER B -4 -17.091 0.141 -15.257 1.00 4.30 H new ATOM 0 HB3 SER B -4 -17.072 0.769 -16.893 1.00 4.30 H new ATOM 0 HG SER B -4 -18.808 -0.702 -17.401 1.00 52.21 H new ATOM 1132 N ARG B -3 -16.122 -2.882 -18.502 1.00 64.43 N ATOM 1133 CA ARG B -3 -16.424 -3.497 -19.789 1.00 51.13 C ATOM 1134 C ARG B -3 -15.563 -4.736 -20.016 1.00 44.21 C ATOM 1135 O ARG B -3 -14.473 -4.874 -19.461 1.00 23.43 O ATOM 1136 CB ARG B -3 -16.202 -2.494 -20.922 1.00 43.45 C ATOM 1137 CG ARG B -3 -14.845 -1.810 -20.873 1.00 62.44 C ATOM 1138 CD ARG B -3 -14.782 -0.627 -21.826 1.00 71.14 C ATOM 1139 NE ARG B -3 -13.532 -0.597 -22.581 1.00 21.33 N ATOM 1140 CZ ARG B -3 -12.346 -0.363 -22.029 1.00 54.43 C ATOM 1141 NH1 ARG B -3 -12.250 -0.139 -20.726 1.00 53.20 N ATOM 1142 NH2 ARG B -3 -11.254 -0.352 -22.782 1.00 43.10 N ATOM 0 H ARG B -3 -15.397 -3.360 -17.966 1.00 64.43 H new ATOM 0 HA ARG B -3 -17.471 -3.800 -19.781 1.00 51.13 H new ATOM 0 HB2 ARG B -3 -16.306 -3.009 -21.877 1.00 43.45 H new ATOM 0 HB3 ARG B -3 -16.984 -1.735 -20.882 1.00 43.45 H new ATOM 0 HG2 ARG B -3 -14.644 -1.471 -19.857 1.00 62.44 H new ATOM 0 HG3 ARG B -3 -14.065 -2.527 -21.130 1.00 62.44 H new ATOM 0 HD2 ARG B -3 -15.622 -0.674 -22.518 1.00 71.14 H new ATOM 0 HD3 ARG B -3 -14.886 0.299 -21.261 1.00 71.14 H new ATOM 0 HE ARG B -3 -13.572 -0.765 -23.586 1.00 21.33 H new ATOM 0 HH11 ARG B -3 -13.088 -0.146 -20.144 1.00 53.20 H new ATOM 0 HH12 ARG B -3 -11.338 0.040 -20.305 1.00 53.20 H new ATOM 0 HH21 ARG B -3 -11.324 -0.523 -23.785 1.00 43.10 H new ATOM 0 HH22 ARG B -3 -10.344 -0.172 -22.358 1.00 43.10 H new ATOM 1156 N PRO B -2 -16.062 -5.659 -20.851 1.00 63.04 N ATOM 1157 CA PRO B -2 -15.354 -6.903 -21.171 1.00 12.51 C ATOM 1158 C PRO B -2 -14.113 -6.661 -22.023 1.00 1.21 C ATOM 1159 O PRO B -2 -14.166 -5.948 -23.025 1.00 25.40 O ATOM 1160 CB PRO B -2 -16.392 -7.710 -21.955 1.00 1.23 C ATOM 1161 CG PRO B -2 -17.302 -6.687 -22.542 1.00 72.34 C ATOM 1162 CD PRO B -2 -17.355 -5.560 -21.549 1.00 2.22 C ATOM 0 HA PRO B -2 -14.990 -7.407 -20.276 1.00 12.51 H new ATOM 0 HB2 PRO B -2 -15.921 -8.313 -22.731 1.00 1.23 H new ATOM 0 HB3 PRO B -2 -16.934 -8.396 -21.304 1.00 1.23 H new ATOM 0 HG2 PRO B -2 -16.929 -6.340 -23.506 1.00 72.34 H new ATOM 0 HG3 PRO B -2 -18.295 -7.102 -22.715 1.00 72.34 H new ATOM 0 HD2 PRO B -2 -17.473 -4.595 -22.042 1.00 2.22 H new ATOM 0 HD3 PRO B -2 -18.193 -5.670 -20.860 1.00 2.22 H new ATOM 1170 N ALA B -1 -12.997 -7.259 -21.618 1.00 53.11 N ATOM 1171 CA ALA B -1 -11.743 -7.110 -22.346 1.00 73.23 C ATOM 1172 C ALA B -1 -11.837 -7.734 -23.735 1.00 35.04 C ATOM 1173 O ALA B -1 -12.596 -8.675 -23.968 1.00 64.54 O ATOM 1174 CB ALA B -1 -10.600 -7.735 -21.561 1.00 62.31 C ATOM 0 H ALA B -1 -12.936 -7.851 -20.790 1.00 53.11 H new ATOM 0 HA ALA B -1 -11.546 -6.045 -22.467 1.00 73.23 H new ATOM 0 HB1 ALA B -1 -9.670 -7.616 -22.116 1.00 62.31 H new ATOM 0 HB2 ALA B -1 -10.510 -7.241 -20.593 1.00 62.31 H new ATOM 0 HB3 ALA B -1 -10.800 -8.796 -21.410 1.00 62.31 H new ATOM 1180 N PRO B 0 -11.050 -7.198 -24.679 1.00 74.44 N ATOM 1181 CA PRO B 0 -11.027 -7.687 -26.061 1.00 74.42 C ATOM 1182 C PRO B 0 -10.392 -9.069 -26.177 1.00 14.12 C ATOM 1183 O PRO B 0 -9.911 -9.627 -25.190 1.00 72.15 O ATOM 1184 CB PRO B 0 -10.177 -6.645 -26.792 1.00 73.22 C ATOM 1185 CG PRO B 0 -9.307 -6.057 -25.735 1.00 74.23 C ATOM 1186 CD PRO B 0 -10.122 -6.075 -24.471 1.00 41.45 C ATOM 0 HA PRO B 0 -12.031 -7.801 -26.470 1.00 74.42 H new ATOM 0 HB2 PRO B 0 -9.584 -7.103 -27.584 1.00 73.22 H new ATOM 0 HB3 PRO B 0 -10.800 -5.884 -27.261 1.00 73.22 H new ATOM 0 HG2 PRO B 0 -8.391 -6.636 -25.617 1.00 74.23 H new ATOM 0 HG3 PRO B 0 -9.011 -5.040 -25.994 1.00 74.23 H new ATOM 0 HD2 PRO B 0 -9.496 -6.228 -23.592 1.00 41.45 H new ATOM 0 HD3 PRO B 0 -10.655 -5.136 -24.323 1.00 41.45 H new ATOM 1194 N LYS B 1 -10.394 -9.616 -27.388 1.00 24.14 N ATOM 1195 CA LYS B 1 -9.816 -10.932 -27.634 1.00 30.14 C ATOM 1196 C LYS B 1 -8.779 -10.871 -28.751 1.00 34.11 C ATOM 1197 O LYS B 1 -8.815 -9.996 -29.616 1.00 4.21 O ATOM 1198 CB LYS B 1 -10.914 -11.934 -27.997 1.00 34.04 C ATOM 1199 CG LYS B 1 -11.894 -11.413 -29.033 1.00 74.05 C ATOM 1200 CD LYS B 1 -12.588 -12.549 -29.766 1.00 30.53 C ATOM 1201 CE LYS B 1 -13.779 -12.050 -30.569 1.00 61.04 C ATOM 1202 NZ LYS B 1 -13.363 -11.481 -31.882 1.00 34.55 N ATOM 0 H LYS B 1 -10.790 -9.168 -28.215 1.00 24.14 H new ATOM 0 HA LYS B 1 -9.321 -11.260 -26.720 1.00 30.14 H new ATOM 0 HB2 LYS B 1 -10.452 -12.847 -28.373 1.00 34.04 H new ATOM 0 HB3 LYS B 1 -11.462 -12.203 -27.094 1.00 34.04 H new ATOM 0 HG2 LYS B 1 -12.639 -10.784 -28.546 1.00 74.05 H new ATOM 0 HG3 LYS B 1 -11.366 -10.785 -29.750 1.00 74.05 H new ATOM 0 HD2 LYS B 1 -11.879 -13.040 -30.432 1.00 30.53 H new ATOM 0 HD3 LYS B 1 -12.921 -13.298 -29.047 1.00 30.53 H new ATOM 0 HE2 LYS B 1 -14.476 -12.872 -30.734 1.00 61.04 H new ATOM 0 HE3 LYS B 1 -14.311 -11.291 -29.996 1.00 61.04 H new ATOM 0 HZ1 LYS B 1 -14.203 -11.152 -32.399 1.00 34.55 H new ATOM 0 HZ2 LYS B 1 -12.718 -10.681 -31.725 1.00 34.55 H new ATOM 0 HZ3 LYS B 1 -12.878 -12.213 -32.439 1.00 34.55 H new ATOM 1216 N PRO B 2 -7.834 -11.823 -28.735 1.00 54.11 N ATOM 1217 CA PRO B 2 -6.771 -11.900 -29.742 1.00 14.44 C ATOM 1218 C PRO B 2 -7.299 -12.309 -31.112 1.00 53.13 C ATOM 1219 O PRO B 2 -8.413 -12.816 -31.249 1.00 41.13 O ATOM 1220 CB PRO B 2 -5.834 -12.975 -29.186 1.00 73.25 C ATOM 1221 CG PRO B 2 -6.701 -13.823 -28.321 1.00 13.22 C ATOM 1222 CD PRO B 2 -7.731 -12.898 -27.734 1.00 13.31 C ATOM 0 HA PRO B 2 -6.289 -10.936 -29.901 1.00 14.44 H new ATOM 0 HB2 PRO B 2 -5.382 -13.559 -29.988 1.00 73.25 H new ATOM 0 HB3 PRO B 2 -5.018 -12.532 -28.615 1.00 73.25 H new ATOM 0 HG2 PRO B 2 -7.174 -14.616 -28.900 1.00 13.22 H new ATOM 0 HG3 PRO B 2 -6.117 -14.305 -27.537 1.00 13.22 H new ATOM 0 HD2 PRO B 2 -8.686 -13.402 -27.586 1.00 13.31 H new ATOM 0 HD3 PRO B 2 -7.419 -12.514 -26.763 1.00 13.31 H new