USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 177:sc= 0.816 USER MOD Set 1.2: A 72 GLN : amide:sc= 0.579 K(o=1.4,f=-2.6) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0.105 USER MOD Set 2.2: A 44 GLN : amide:sc= 0 K(o=0.11,f=-0.92) USER MOD Set 3.1: A 34 ASN :FLIP amide:sc= 0.239 F(o=-2.5,f=-2) USER MOD Set 3.2: A 35 HIS : no HD1:sc= 0.264 K(o=-2,f=-2.5) USER MOD Set 3.3: A 70 GLN : amide:sc= -2.51! C(o=-2!,f=-4.4!) USER MOD Single : A 7 THR OG1 : rot 29:sc= 0.374 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0758 F(o=-0.91,f=-0.076) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.98) USER MOD Single : A 17 ASN : amide:sc= 1.01 K(o=1,f=-0.0018) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 36 TYR OH : rot 69:sc= 0.951 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.321 K(o=-0.32,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -1.01 (180deg=-2.76!) USER MOD Single : A 53 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.49) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.821 F(o=-1.5,f=-0.82) USER MOD Single : A 56 MET CE :methyl -158:sc= -0.174 (180deg=-0.933) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.97) USER MOD Single : A 73 THR OG1 : rot 100:sc= -0.45 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 -10.975 -1.736 -9.406 1.00 31.41 N ATOM 83 CA THR A 7 -11.987 -2.757 -9.601 1.00 35.31 C ATOM 84 C THR A 7 -12.933 -2.346 -10.729 1.00 31.42 C ATOM 85 O THR A 7 -13.036 -1.163 -11.057 1.00 72.04 O ATOM 86 CB THR A 7 -12.780 -2.983 -8.296 1.00 54.51 C ATOM 87 OG1 THR A 7 -11.875 -2.998 -7.178 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.542 -4.300 -8.340 1.00 10.33 C ATOM 0 HA THR A 7 -11.495 -3.691 -9.874 1.00 35.31 H new ATOM 0 HB THR A 7 -13.497 -2.169 -8.188 1.00 54.51 H new ATOM 0 HG1 THR A 7 -11.097 -2.437 -7.379 1.00 5.41 H new ATOM 0 HG21 THR A 7 -14.092 -4.434 -7.408 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.242 -4.288 -9.176 1.00 10.33 H new ATOM 0 HG23 THR A 7 -12.839 -5.123 -8.468 1.00 10.33 H new ATOM 96 N GLN A 8 -13.618 -3.314 -11.318 1.00 3.23 N ATOM 97 CA GLN A 8 -14.558 -3.034 -12.389 1.00 50.02 C ATOM 98 C GLN A 8 -15.939 -2.763 -11.809 1.00 1.14 C ATOM 99 O GLN A 8 -16.719 -3.687 -11.570 1.00 72.35 O ATOM 100 CB GLN A 8 -14.606 -4.203 -13.380 1.00 43.14 C ATOM 101 CG GLN A 8 -13.266 -4.499 -14.041 1.00 33.25 C ATOM 102 CD GLN A 8 -12.752 -3.349 -14.893 1.00 53.30 C ATOM 103 OE1 GLN A 8 -13.660 -2.612 -15.515 1.00 54.41 O flip ATOM 104 NE2 GLN A 8 -11.547 -3.141 -15.007 1.00 54.35 N flip ATOM 0 H GLN A 8 -13.540 -4.301 -11.071 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.225 -2.147 -12.928 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.949 -5.096 -12.858 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.342 -3.983 -14.153 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -12.531 -4.729 -13.270 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -13.364 -5.389 -14.663 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -10.879 -3.731 -14.512 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -11.215 -2.378 -15.597 1.00 54.35 H new ATOM 113 N SER A 9 -16.224 -1.491 -11.579 1.00 52.14 N ATOM 114 CA SER A 9 -17.477 -1.081 -10.967 1.00 2.52 C ATOM 115 C SER A 9 -18.658 -1.407 -11.875 1.00 0.31 C ATOM 116 O SER A 9 -19.775 -1.601 -11.409 1.00 54.11 O ATOM 117 CB SER A 9 -17.430 0.412 -10.649 1.00 33.54 C ATOM 118 OG SER A 9 -16.294 0.716 -9.854 1.00 75.12 O ATOM 0 H SER A 9 -15.598 -0.719 -11.809 1.00 52.14 H new ATOM 0 HA SER A 9 -17.613 -1.635 -10.038 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.397 0.986 -11.575 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.338 0.707 -10.123 1.00 33.54 H new ATOM 0 HG SER A 9 -16.278 1.677 -9.661 1.00 75.12 H new ATOM 124 N GLN A 10 -18.397 -1.468 -13.172 1.00 65.43 N ATOM 125 CA GLN A 10 -19.403 -1.874 -14.143 1.00 50.30 C ATOM 126 C GLN A 10 -19.773 -3.338 -13.940 1.00 24.22 C ATOM 127 O GLN A 10 -20.945 -3.711 -14.012 1.00 13.03 O ATOM 128 CB GLN A 10 -18.867 -1.658 -15.552 1.00 3.51 C ATOM 129 CG GLN A 10 -19.861 -1.964 -16.658 1.00 31.21 C ATOM 130 CD GLN A 10 -19.218 -1.888 -18.025 1.00 30.13 C ATOM 131 OE1 GLN A 10 -18.031 -2.186 -18.181 1.00 43.14 O ATOM 132 NE2 GLN A 10 -19.986 -1.478 -19.018 1.00 21.05 N ATOM 0 H GLN A 10 -17.490 -1.240 -13.579 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.299 -1.269 -14.003 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.543 -0.622 -15.649 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -17.985 -2.282 -15.691 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -20.278 -2.960 -16.507 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.691 -1.259 -16.607 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -20.963 -1.242 -18.843 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -19.602 -1.397 -19.960 1.00 21.05 H new ATOM 141 N LEU A 11 -18.765 -4.161 -13.672 1.00 1.21 N ATOM 142 CA LEU A 11 -18.980 -5.581 -13.423 1.00 12.41 C ATOM 143 C LEU A 11 -19.736 -5.757 -12.109 1.00 54.11 C ATOM 144 O LEU A 11 -20.660 -6.566 -12.009 1.00 71.13 O ATOM 145 CB LEU A 11 -17.627 -6.314 -13.393 1.00 53.43 C ATOM 146 CG LEU A 11 -17.666 -7.848 -13.512 1.00 4.24 C ATOM 147 CD1 LEU A 11 -18.092 -8.501 -12.205 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.594 -8.270 -14.644 1.00 61.15 C ATOM 0 H LEU A 11 -17.789 -3.868 -13.622 1.00 1.21 H new ATOM 0 HA LEU A 11 -19.580 -6.013 -14.224 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.012 -5.926 -14.205 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.123 -6.058 -12.461 1.00 53.43 H new ATOM 0 HG LEU A 11 -16.655 -8.188 -13.738 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -18.108 -9.584 -12.328 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -17.386 -8.235 -11.418 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -19.088 -8.152 -11.932 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.610 -9.358 -14.715 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -19.601 -7.904 -14.444 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -18.235 -7.851 -15.584 1.00 61.15 H new ATOM 160 N GLU A 12 -19.346 -4.975 -11.108 1.00 14.13 N ATOM 161 CA GLU A 12 -20.034 -4.970 -9.827 1.00 13.33 C ATOM 162 C GLU A 12 -21.476 -4.508 -10.001 1.00 23.45 C ATOM 163 O GLU A 12 -22.392 -5.068 -9.405 1.00 35.24 O ATOM 164 CB GLU A 12 -19.307 -4.061 -8.841 1.00 72.23 C ATOM 165 CG GLU A 12 -17.893 -4.515 -8.527 1.00 2.41 C ATOM 166 CD GLU A 12 -17.140 -3.510 -7.687 1.00 74.31 C ATOM 167 OE1 GLU A 12 -17.287 -3.538 -6.448 1.00 23.41 O ATOM 168 OE2 GLU A 12 -16.401 -2.685 -8.261 1.00 33.12 O ATOM 0 H GLU A 12 -18.554 -4.335 -11.162 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.038 -5.986 -9.431 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.274 -3.050 -9.248 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.879 -4.013 -7.914 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -17.929 -5.470 -8.002 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.353 -4.684 -9.459 1.00 2.41 H new ATOM 175 N LEU A 13 -21.665 -3.489 -10.833 1.00 24.43 N ATOM 176 CA LEU A 13 -22.992 -2.975 -11.148 1.00 1.43 C ATOM 177 C LEU A 13 -23.838 -4.061 -11.805 1.00 31.21 C ATOM 178 O LEU A 13 -25.027 -4.196 -11.514 1.00 4.34 O ATOM 179 CB LEU A 13 -22.866 -1.744 -12.059 1.00 73.45 C ATOM 180 CG LEU A 13 -24.174 -1.174 -12.615 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.110 0.345 -12.654 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.441 -1.712 -14.015 1.00 50.21 C ATOM 0 H LEU A 13 -20.906 -2.998 -11.306 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.491 -2.674 -10.227 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.359 -0.956 -11.501 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.222 -2.005 -12.899 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.988 -1.483 -11.959 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.046 0.739 -13.051 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.954 0.729 -11.646 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.284 0.658 -13.293 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.375 -1.295 -14.393 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.623 -1.427 -14.676 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.517 -2.799 -13.979 1.00 50.21 H new ATOM 194 N LEU A 14 -23.214 -4.841 -12.675 1.00 72.01 N ATOM 195 CA LEU A 14 -23.888 -5.949 -13.338 1.00 3.52 C ATOM 196 C LEU A 14 -24.392 -6.959 -12.308 1.00 71.02 C ATOM 197 O LEU A 14 -25.566 -7.333 -12.312 1.00 70.32 O ATOM 198 CB LEU A 14 -22.938 -6.627 -14.331 1.00 33.20 C ATOM 199 CG LEU A 14 -23.514 -7.837 -15.072 1.00 40.12 C ATOM 200 CD1 LEU A 14 -24.704 -7.429 -15.925 1.00 54.01 C ATOM 201 CD2 LEU A 14 -22.441 -8.493 -15.926 1.00 11.21 C ATOM 0 H LEU A 14 -22.236 -4.726 -12.940 1.00 72.01 H new ATOM 0 HA LEU A 14 -24.745 -5.559 -13.886 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -22.622 -5.888 -15.068 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.044 -6.944 -13.794 1.00 33.20 H new ATOM 0 HG LEU A 14 -23.859 -8.561 -14.334 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.098 -8.304 -16.443 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.480 -7.005 -15.288 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.389 -6.685 -16.657 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -22.865 -9.352 -16.447 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -22.067 -7.775 -16.655 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -21.621 -8.824 -15.289 1.00 11.21 H new ATOM 213 N ILE A 15 -23.502 -7.376 -11.411 1.00 13.25 N ATOM 214 CA ILE A 15 -23.861 -8.329 -10.364 1.00 24.23 C ATOM 215 C ILE A 15 -24.883 -7.718 -9.407 1.00 61.32 C ATOM 216 O ILE A 15 -25.785 -8.399 -8.928 1.00 75.31 O ATOM 217 CB ILE A 15 -22.618 -8.792 -9.564 1.00 33.14 C ATOM 218 CG1 ILE A 15 -21.565 -9.397 -10.502 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.012 -9.797 -8.485 1.00 52.02 C ATOM 220 CD1 ILE A 15 -22.063 -10.586 -11.298 1.00 63.52 C ATOM 0 H ILE A 15 -22.529 -7.070 -11.388 1.00 13.25 H new ATOM 0 HA ILE A 15 -24.298 -9.198 -10.855 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.184 -7.919 -9.077 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -21.223 -8.627 -11.193 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -20.701 -9.703 -9.913 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.123 -10.108 -7.936 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -23.720 -9.334 -7.797 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -23.475 -10.668 -8.950 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.262 -10.957 -11.937 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -22.378 -11.375 -10.615 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -22.908 -10.282 -11.916 1.00 63.52 H new ATOM 232 N ARG A 16 -24.752 -6.423 -9.160 1.00 32.24 N ATOM 233 CA ARG A 16 -25.643 -5.714 -8.248 1.00 15.30 C ATOM 234 C ARG A 16 -27.050 -5.625 -8.835 1.00 74.23 C ATOM 235 O ARG A 16 -28.039 -5.646 -8.109 1.00 15.23 O ATOM 236 CB ARG A 16 -25.084 -4.313 -7.963 1.00 23.14 C ATOM 237 CG ARG A 16 -25.408 -3.783 -6.571 1.00 71.35 C ATOM 238 CD ARG A 16 -26.855 -3.337 -6.436 1.00 63.11 C ATOM 239 NE ARG A 16 -27.185 -2.975 -5.058 1.00 73.55 N ATOM 240 CZ ARG A 16 -27.877 -1.893 -4.712 1.00 72.42 C ATOM 241 NH1 ARG A 16 -28.297 -1.037 -5.636 1.00 4.32 N ATOM 242 NH2 ARG A 16 -28.151 -1.672 -3.436 1.00 75.13 N ATOM 0 H ARG A 16 -24.032 -5.836 -9.581 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.704 -6.266 -7.310 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.002 -4.333 -8.089 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.478 -3.619 -8.705 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -25.201 -4.559 -5.834 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -24.751 -2.944 -6.344 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -27.035 -2.483 -7.089 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -27.515 -4.138 -6.770 1.00 63.11 H new ATOM 0 HE ARG A 16 -26.863 -3.593 -4.313 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -28.090 -1.207 -6.620 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -28.827 -0.210 -5.362 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -27.832 -2.330 -2.725 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -28.681 -0.844 -3.164 1.00 75.13 H new ATOM 256 N ASN A 17 -27.136 -5.524 -10.151 1.00 21.01 N ATOM 257 CA ASN A 17 -28.433 -5.487 -10.817 1.00 71.44 C ATOM 258 C ASN A 17 -29.000 -6.890 -10.980 1.00 24.13 C ATOM 259 O ASN A 17 -30.215 -7.077 -11.000 1.00 64.41 O ATOM 260 CB ASN A 17 -28.334 -4.789 -12.174 1.00 22.11 C ATOM 261 CG ASN A 17 -28.432 -3.281 -12.059 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.520 -2.710 -12.138 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.299 -2.624 -11.869 1.00 64.22 N ATOM 0 H ASN A 17 -26.333 -5.466 -10.777 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.113 -4.913 -10.188 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.388 -5.053 -12.647 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.129 -5.153 -12.825 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.307 -1.608 -11.782 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.418 -3.134 -11.809 1.00 64.22 H new ATOM 270 N ALA A 18 -28.116 -7.873 -11.101 1.00 24.13 N ATOM 271 CA ALA A 18 -28.536 -9.267 -11.203 1.00 52.44 C ATOM 272 C ALA A 18 -28.990 -9.803 -9.845 1.00 63.32 C ATOM 273 O ALA A 18 -30.111 -10.302 -9.703 1.00 53.11 O ATOM 274 CB ALA A 18 -27.406 -10.122 -11.763 1.00 44.34 C ATOM 0 H ALA A 18 -27.106 -7.732 -11.131 1.00 24.13 H new ATOM 0 HA ALA A 18 -29.384 -9.317 -11.886 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -27.735 -11.159 -11.833 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -27.133 -9.760 -12.754 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -26.541 -10.059 -11.103 1.00 44.34 H new ATOM 280 N PHE A 19 -28.115 -9.695 -8.851 1.00 32.44 N ATOM 281 CA PHE A 19 -28.411 -10.156 -7.498 1.00 64.45 C ATOM 282 C PHE A 19 -28.030 -9.075 -6.485 1.00 11.13 C ATOM 283 O PHE A 19 -26.937 -9.099 -5.920 1.00 74.13 O ATOM 284 CB PHE A 19 -27.653 -11.455 -7.184 1.00 5.30 C ATOM 285 CG PHE A 19 -27.938 -12.579 -8.139 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.087 -13.342 -8.012 1.00 44.11 C ATOM 287 CD2 PHE A 19 -27.054 -12.874 -9.165 1.00 21.44 C ATOM 288 CE1 PHE A 19 -29.350 -14.375 -8.890 1.00 53.12 C ATOM 289 CE2 PHE A 19 -27.312 -13.906 -10.045 1.00 21.41 C ATOM 290 CZ PHE A 19 -28.461 -14.658 -9.908 1.00 4.25 C ATOM 0 H PHE A 19 -27.186 -9.288 -8.958 1.00 32.44 H new ATOM 0 HA PHE A 19 -29.480 -10.356 -7.430 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -26.583 -11.249 -7.192 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -27.909 -11.777 -6.174 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -29.785 -13.127 -7.217 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.153 -12.290 -9.277 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -30.250 -14.961 -8.780 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -26.615 -14.125 -10.840 1.00 21.41 H new ATOM 0 HZ PHE A 19 -28.664 -15.466 -10.595 1.00 4.25 H new ATOM 300 N PRO A 20 -28.929 -8.107 -6.253 1.00 74.32 N ATOM 301 CA PRO A 20 -28.639 -6.935 -5.415 1.00 62.04 C ATOM 302 C PRO A 20 -28.431 -7.278 -3.942 1.00 53.13 C ATOM 303 O PRO A 20 -27.507 -6.775 -3.303 1.00 3.14 O ATOM 304 CB PRO A 20 -29.883 -6.055 -5.583 1.00 73.25 C ATOM 305 CG PRO A 20 -30.967 -6.990 -5.994 1.00 43.34 C ATOM 306 CD PRO A 20 -30.300 -8.070 -6.798 1.00 54.10 C ATOM 0 HA PRO A 20 -27.708 -6.457 -5.719 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.134 -5.545 -4.653 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.721 -5.283 -6.336 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.473 -7.408 -5.123 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.724 -6.474 -6.585 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -30.805 -9.029 -6.680 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -30.303 -7.838 -7.863 1.00 54.10 H new ATOM 314 N GLU A 21 -29.285 -8.143 -3.410 1.00 43.25 N ATOM 315 CA GLU A 21 -29.283 -8.443 -1.983 1.00 14.45 C ATOM 316 C GLU A 21 -28.294 -9.552 -1.639 1.00 61.52 C ATOM 317 O GLU A 21 -28.114 -9.891 -0.469 1.00 44.12 O ATOM 318 CB GLU A 21 -30.691 -8.830 -1.535 1.00 73.54 C ATOM 319 CG GLU A 21 -31.706 -7.717 -1.740 1.00 25.00 C ATOM 320 CD GLU A 21 -33.121 -8.140 -1.418 1.00 21.25 C ATOM 321 OE1 GLU A 21 -33.483 -8.171 -0.226 1.00 2.14 O ATOM 322 OE2 GLU A 21 -33.881 -8.439 -2.360 1.00 31.02 O ATOM 0 H GLU A 21 -29.989 -8.650 -3.946 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.965 -7.546 -1.451 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -31.012 -9.713 -2.087 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.668 -9.104 -0.480 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.436 -6.867 -1.114 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -31.661 -7.378 -2.775 1.00 25.00 H new ATOM 329 N ALA A 22 -27.642 -10.098 -2.654 1.00 13.31 N ATOM 330 CA ALA A 22 -26.689 -11.176 -2.453 1.00 45.34 C ATOM 331 C ALA A 22 -25.327 -10.623 -2.055 1.00 74.40 C ATOM 332 O ALA A 22 -25.057 -9.435 -2.231 1.00 53.45 O ATOM 333 CB ALA A 22 -26.570 -12.015 -3.714 1.00 43.43 C ATOM 0 H ALA A 22 -27.756 -9.811 -3.626 1.00 13.31 H new ATOM 0 HA ALA A 22 -27.052 -11.809 -1.643 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.853 -12.819 -3.550 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.543 -12.441 -3.961 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.229 -11.388 -4.538 1.00 43.43 H new ATOM 339 N GLU A 23 -24.481 -11.485 -1.511 1.00 31.23 N ATOM 340 CA GLU A 23 -23.125 -11.097 -1.154 1.00 5.24 C ATOM 341 C GLU A 23 -22.276 -10.983 -2.412 1.00 11.04 C ATOM 342 O GLU A 23 -21.890 -11.995 -3.006 1.00 5.32 O ATOM 343 CB GLU A 23 -22.505 -12.116 -0.193 1.00 2.23 C ATOM 344 CG GLU A 23 -21.065 -11.810 0.192 1.00 32.11 C ATOM 345 CD GLU A 23 -20.947 -10.589 1.077 1.00 53.32 C ATOM 346 OE1 GLU A 23 -20.997 -9.458 0.554 1.00 2.10 O ATOM 347 OE2 GLU A 23 -20.810 -10.758 2.306 1.00 74.04 O ATOM 0 H GLU A 23 -24.710 -12.458 -1.307 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.159 -10.130 -0.652 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.110 -12.161 0.712 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.545 -13.104 -0.652 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -20.640 -12.671 0.708 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.476 -11.657 -0.712 1.00 32.11 H new ATOM 354 N ILE A 24 -22.024 -9.752 -2.829 1.00 13.41 N ATOM 355 CA ILE A 24 -21.212 -9.490 -4.001 1.00 74.24 C ATOM 356 C ILE A 24 -19.757 -9.309 -3.598 1.00 61.32 C ATOM 357 O ILE A 24 -19.398 -8.323 -2.951 1.00 75.31 O ATOM 358 CB ILE A 24 -21.696 -8.226 -4.740 1.00 14.12 C ATOM 359 CG1 ILE A 24 -23.186 -8.345 -5.075 1.00 72.34 C ATOM 360 CG2 ILE A 24 -20.876 -8.000 -6.007 1.00 42.15 C ATOM 361 CD1 ILE A 24 -23.783 -7.075 -5.640 1.00 33.11 C ATOM 0 H ILE A 24 -22.375 -8.913 -2.366 1.00 13.41 H new ATOM 0 HA ILE A 24 -21.305 -10.345 -4.671 1.00 74.24 H new ATOM 0 HB ILE A 24 -21.556 -7.365 -4.086 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -23.325 -9.153 -5.794 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -23.732 -8.623 -4.173 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -21.232 -7.104 -6.515 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -19.826 -7.875 -5.743 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.984 -8.860 -6.669 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -24.840 -7.233 -5.853 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -23.676 -6.269 -4.914 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -23.263 -6.807 -6.560 1.00 33.11 H new ATOM 373 N THR A 25 -18.925 -10.260 -3.970 1.00 14.02 N ATOM 374 CA THR A 25 -17.517 -10.199 -3.642 1.00 54.43 C ATOM 375 C THR A 25 -16.667 -10.497 -4.871 1.00 60.33 C ATOM 376 O THR A 25 -16.833 -11.528 -5.518 1.00 24.53 O ATOM 377 CB THR A 25 -17.171 -11.196 -2.521 1.00 3.22 C ATOM 378 OG1 THR A 25 -18.058 -11.000 -1.408 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.730 -11.021 -2.058 1.00 30.53 C ATOM 0 H THR A 25 -19.201 -11.086 -4.501 1.00 14.02 H new ATOM 0 HA THR A 25 -17.300 -9.189 -3.294 1.00 54.43 H new ATOM 0 HB THR A 25 -17.287 -12.206 -2.915 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.836 -11.637 -0.697 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.513 -11.738 -1.266 1.00 30.53 H new ATOM 0 HG22 THR A 25 -15.055 -11.191 -2.897 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.590 -10.008 -1.680 1.00 30.53 H new ATOM 387 N VAL A 26 -15.786 -9.576 -5.213 1.00 74.44 N ATOM 388 CA VAL A 26 -14.842 -9.809 -6.289 1.00 13.43 C ATOM 389 C VAL A 26 -13.543 -10.365 -5.723 1.00 70.34 C ATOM 390 O VAL A 26 -12.899 -9.742 -4.875 1.00 52.34 O ATOM 391 CB VAL A 26 -14.569 -8.528 -7.117 1.00 24.42 C ATOM 392 CG1 VAL A 26 -15.793 -8.156 -7.939 1.00 41.35 C ATOM 393 CG2 VAL A 26 -14.166 -7.366 -6.220 1.00 35.24 C ATOM 0 H VAL A 26 -15.704 -8.664 -4.764 1.00 74.44 H new ATOM 0 HA VAL A 26 -15.285 -10.538 -6.968 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.739 -8.738 -7.792 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -15.584 -7.254 -8.515 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -16.036 -8.972 -8.619 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -16.637 -7.974 -7.273 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.981 -6.482 -6.831 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.968 -7.157 -5.513 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -13.259 -7.626 -5.674 1.00 35.24 H new ATOM 403 N THR A 27 -13.171 -11.548 -6.170 1.00 53.51 N ATOM 404 CA THR A 27 -11.989 -12.207 -5.660 1.00 3.34 C ATOM 405 C THR A 27 -10.790 -11.878 -6.535 1.00 43.20 C ATOM 406 O THR A 27 -10.658 -12.386 -7.651 1.00 52.12 O ATOM 407 CB THR A 27 -12.192 -13.734 -5.596 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.390 -14.032 -4.864 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.006 -14.418 -4.931 1.00 63.14 C ATOM 0 H THR A 27 -13.673 -12.072 -6.887 1.00 53.51 H new ATOM 0 HA THR A 27 -11.806 -11.844 -4.649 1.00 3.34 H new ATOM 0 HB THR A 27 -12.278 -14.109 -6.616 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.542 -15.000 -4.866 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.177 -15.494 -4.900 1.00 63.14 H new ATOM 0 HG22 THR A 27 -10.100 -14.211 -5.501 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.890 -14.040 -3.915 1.00 63.14 H new ATOM 417 N SER A 28 -9.927 -11.013 -6.025 1.00 23.54 N ATOM 418 CA SER A 28 -8.754 -10.590 -6.759 1.00 22.03 C ATOM 419 C SER A 28 -7.592 -11.522 -6.461 1.00 14.30 C ATOM 420 O SER A 28 -7.043 -11.520 -5.356 1.00 32.51 O ATOM 421 CB SER A 28 -8.392 -9.146 -6.402 1.00 23.21 C ATOM 422 OG SER A 28 -9.505 -8.283 -6.583 1.00 51.11 O ATOM 0 H SER A 28 -10.021 -10.591 -5.101 1.00 23.54 H new ATOM 0 HA SER A 28 -8.971 -10.633 -7.826 1.00 22.03 H new ATOM 0 HB2 SER A 28 -8.054 -9.097 -5.367 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.562 -8.811 -7.024 1.00 23.21 H new ATOM 0 HG SER A 28 -9.250 -7.367 -6.347 1.00 51.11 H new ATOM 428 N LEU A 29 -7.239 -12.329 -7.446 1.00 60.25 N ATOM 429 CA LEU A 29 -6.167 -13.299 -7.303 1.00 24.55 C ATOM 430 C LEU A 29 -5.185 -13.144 -8.452 1.00 12.10 C ATOM 431 O LEU A 29 -5.257 -12.171 -9.208 1.00 65.12 O ATOM 432 CB LEU A 29 -6.721 -14.736 -7.267 1.00 52.33 C ATOM 433 CG LEU A 29 -7.161 -15.339 -8.611 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.485 -16.813 -8.440 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.364 -14.606 -9.185 1.00 60.32 C ATOM 0 H LEU A 29 -7.685 -12.331 -8.363 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.655 -13.114 -6.359 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.958 -15.384 -6.836 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -7.575 -14.755 -6.590 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.334 -15.228 -9.313 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -7.796 -17.231 -9.398 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -6.601 -17.341 -8.084 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.292 -16.927 -7.716 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.647 -15.059 -10.135 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.199 -14.674 -8.487 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.109 -13.558 -9.345 1.00 60.32 H new ATOM 447 N VAL A 30 -4.265 -14.087 -8.575 1.00 4.40 N ATOM 448 CA VAL A 30 -3.345 -14.102 -9.696 1.00 1.44 C ATOM 449 C VAL A 30 -4.080 -14.505 -10.980 1.00 64.14 C ATOM 450 O VAL A 30 -4.318 -15.685 -11.253 1.00 15.34 O ATOM 451 CB VAL A 30 -2.124 -15.022 -9.429 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.558 -16.419 -9.001 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.213 -15.087 -10.649 1.00 30.41 C ATOM 0 H VAL A 30 -4.137 -14.851 -7.911 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.955 -13.092 -9.825 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.560 -14.586 -8.605 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.677 -17.035 -8.823 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.146 -16.353 -8.085 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -3.162 -16.869 -9.788 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.365 -15.738 -10.436 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -1.770 -15.483 -11.498 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -0.851 -14.087 -10.887 1.00 30.41 H new ATOM 463 N GLY A 31 -4.481 -13.498 -11.736 1.00 42.32 N ATOM 464 CA GLY A 31 -5.200 -13.718 -12.971 1.00 63.24 C ATOM 465 C GLY A 31 -4.707 -12.795 -14.059 1.00 24.53 C ATOM 466 O GLY A 31 -5.502 -12.228 -14.814 1.00 24.33 O ATOM 0 H GLY A 31 -4.318 -12.516 -11.512 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -5.079 -14.754 -13.286 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -6.266 -13.557 -12.809 1.00 63.24 H new ATOM 470 N ASP A 32 -3.384 -12.623 -14.104 1.00 54.21 N ATOM 471 CA ASP A 32 -2.723 -11.758 -15.086 1.00 24.22 C ATOM 472 C ASP A 32 -3.209 -10.320 -14.956 1.00 21.34 C ATOM 473 O ASP A 32 -3.063 -9.516 -15.877 1.00 50.54 O ATOM 474 CB ASP A 32 -2.955 -12.275 -16.512 1.00 33.31 C ATOM 475 CG ASP A 32 -2.426 -13.682 -16.711 1.00 63.05 C ATOM 476 OD1 ASP A 32 -1.243 -13.835 -17.076 1.00 1.50 O ATOM 477 OD2 ASP A 32 -3.190 -14.646 -16.492 1.00 71.24 O ATOM 0 H ASP A 32 -2.739 -13.080 -13.460 1.00 54.21 H new ATOM 0 HA ASP A 32 -1.652 -11.778 -14.883 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -4.022 -12.257 -16.733 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -2.471 -11.604 -17.222 1.00 33.31 H new ATOM 482 N ASN A 33 -3.771 -10.009 -13.787 1.00 11.01 N ATOM 483 CA ASN A 33 -4.328 -8.689 -13.494 1.00 33.31 C ATOM 484 C ASN A 33 -5.480 -8.354 -14.433 1.00 73.15 C ATOM 485 O ASN A 33 -5.875 -7.197 -14.557 1.00 35.41 O ATOM 486 CB ASN A 33 -3.245 -7.606 -13.570 1.00 23.21 C ATOM 487 CG ASN A 33 -2.163 -7.796 -12.522 1.00 63.34 C ATOM 488 OD1 ASN A 33 -2.409 -8.350 -11.449 1.00 61.15 O ATOM 489 ND2 ASN A 33 -0.958 -7.340 -12.828 1.00 30.04 N ATOM 0 H ASN A 33 -3.853 -10.669 -13.014 1.00 11.01 H new ATOM 0 HA ASN A 33 -4.717 -8.717 -12.476 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.793 -7.617 -14.562 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -3.705 -6.626 -13.440 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -0.191 -7.441 -12.164 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -0.797 -6.887 -13.728 1.00 30.04 H new ATOM 496 N ASN A 34 -6.040 -9.376 -15.067 1.00 61.41 N ATOM 497 CA ASN A 34 -7.133 -9.181 -16.008 1.00 4.13 C ATOM 498 C ASN A 34 -8.381 -9.921 -15.553 1.00 1.44 C ATOM 499 O ASN A 34 -9.447 -9.323 -15.395 1.00 40.12 O ATOM 500 CB ASN A 34 -6.727 -9.653 -17.402 1.00 53.13 C ATOM 501 CG ASN A 34 -7.835 -9.470 -18.424 1.00 60.20 C ATOM 502 OD1 ASN A 34 -7.886 -8.294 -19.031 1.00 22.32 O flip ATOM 503 ND2 ASN A 34 -8.638 -10.375 -18.660 1.00 24.41 N flip ATOM 0 H ASN A 34 -5.755 -10.348 -14.946 1.00 61.41 H new ATOM 0 HA ASN A 34 -7.358 -8.115 -16.046 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -5.844 -9.102 -17.726 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.448 -10.706 -17.359 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -8.562 -11.266 -18.169 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -9.379 -10.233 -19.347 1.00 24.41 H new ATOM 510 N HIS A 35 -8.244 -11.222 -15.329 1.00 11.54 N ATOM 511 CA HIS A 35 -9.379 -12.045 -14.941 1.00 21.41 C ATOM 512 C HIS A 35 -9.397 -12.292 -13.440 1.00 54.15 C ATOM 513 O HIS A 35 -8.431 -12.799 -12.869 1.00 54.44 O ATOM 514 CB HIS A 35 -9.371 -13.376 -15.695 1.00 25.33 C ATOM 515 CG HIS A 35 -10.183 -13.351 -16.952 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.630 -13.265 -18.210 1.00 35.21 N ATOM 517 CD2 HIS A 35 -11.525 -13.412 -17.138 1.00 50.13 C ATOM 518 CE1 HIS A 35 -10.593 -13.269 -19.113 1.00 24.43 C ATOM 519 NE2 HIS A 35 -11.752 -13.358 -18.490 1.00 23.03 N ATOM 0 H HIS A 35 -7.361 -11.727 -15.409 1.00 11.54 H new ATOM 0 HA HIS A 35 -10.284 -11.499 -15.207 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -8.342 -13.640 -15.941 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -9.753 -14.159 -15.040 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -12.276 -13.489 -16.365 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -10.455 -13.209 -20.182 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -12.667 -13.383 -18.940 1.00 23.03 H new ATOM 528 N TYR A 36 -10.501 -11.918 -12.812 1.00 43.33 N ATOM 529 CA TYR A 36 -10.677 -12.112 -11.381 1.00 71.31 C ATOM 530 C TYR A 36 -11.832 -13.078 -11.139 1.00 40.50 C ATOM 531 O TYR A 36 -12.639 -13.321 -12.037 1.00 24.43 O ATOM 532 CB TYR A 36 -10.967 -10.777 -10.691 1.00 22.12 C ATOM 533 CG TYR A 36 -10.126 -9.630 -11.204 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.776 -9.537 -10.893 1.00 41.21 C ATOM 535 CD2 TYR A 36 -10.685 -8.645 -12.008 1.00 43.30 C ATOM 536 CE1 TYR A 36 -8.007 -8.490 -11.368 1.00 62.32 C ATOM 537 CE2 TYR A 36 -9.925 -7.598 -12.483 1.00 62.54 C ATOM 538 CZ TYR A 36 -8.588 -7.526 -12.164 1.00 1.54 C ATOM 539 OH TYR A 36 -7.833 -6.479 -12.643 1.00 12.31 O ATOM 0 H TYR A 36 -11.294 -11.475 -13.275 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.759 -12.526 -10.965 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.020 -10.531 -10.824 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.799 -10.888 -9.620 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.320 -10.293 -10.271 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -11.732 -8.700 -12.265 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.958 -8.428 -11.117 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -10.376 -6.837 -13.103 1.00 62.54 H new ATOM 0 HH TYR A 36 -7.195 -6.813 -13.307 1.00 12.31 H new ATOM 549 N SER A 37 -11.914 -13.617 -9.935 1.00 2.23 N ATOM 550 CA SER A 37 -12.968 -14.557 -9.599 1.00 21.11 C ATOM 551 C SER A 37 -14.221 -13.820 -9.128 1.00 62.15 C ATOM 552 O SER A 37 -14.138 -12.833 -8.394 1.00 50.13 O ATOM 553 CB SER A 37 -12.484 -15.524 -8.517 1.00 62.23 C ATOM 554 OG SER A 37 -11.298 -16.188 -8.921 1.00 63.00 O ATOM 0 H SER A 37 -11.264 -13.420 -9.174 1.00 2.23 H new ATOM 0 HA SER A 37 -13.222 -15.125 -10.494 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.302 -14.978 -7.592 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.262 -16.258 -8.306 1.00 62.23 H new ATOM 0 HG SER A 37 -11.008 -16.799 -8.212 1.00 63.00 H new ATOM 560 N ILE A 38 -15.375 -14.296 -9.564 1.00 34.53 N ATOM 561 CA ILE A 38 -16.644 -13.716 -9.154 1.00 12.35 C ATOM 562 C ILE A 38 -17.259 -14.566 -8.052 1.00 21.51 C ATOM 563 O ILE A 38 -17.622 -15.724 -8.275 1.00 24.12 O ATOM 564 CB ILE A 38 -17.650 -13.588 -10.332 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.155 -12.587 -11.384 1.00 24.33 C ATOM 566 CG2 ILE A 38 -19.022 -13.169 -9.822 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.093 -13.137 -12.314 1.00 24.22 C ATOM 0 H ILE A 38 -15.460 -15.085 -10.204 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.438 -12.709 -8.791 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.730 -14.567 -10.804 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -18.005 -12.252 -11.979 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -16.757 -11.709 -10.875 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.712 -13.085 -10.662 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.393 -13.916 -9.121 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.944 -12.206 -9.318 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.798 -12.366 -13.026 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -15.224 -13.445 -11.732 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -16.491 -13.996 -12.853 1.00 24.22 H new ATOM 579 N LYS A 39 -17.358 -13.999 -6.862 1.00 62.41 N ATOM 580 CA LYS A 39 -17.888 -14.719 -5.720 1.00 70.34 C ATOM 581 C LYS A 39 -19.241 -14.147 -5.312 1.00 25.51 C ATOM 582 O LYS A 39 -19.348 -12.981 -4.926 1.00 73.43 O ATOM 583 CB LYS A 39 -16.899 -14.642 -4.557 1.00 35.52 C ATOM 584 CG LYS A 39 -17.262 -15.526 -3.378 1.00 1.32 C ATOM 585 CD LYS A 39 -16.149 -15.541 -2.346 1.00 0.22 C ATOM 586 CE LYS A 39 -16.465 -16.477 -1.192 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.329 -16.577 -0.240 1.00 52.43 N ATOM 0 H LYS A 39 -17.077 -13.039 -6.663 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.030 -15.765 -5.993 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.909 -14.922 -4.916 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.834 -13.609 -4.217 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.183 -15.166 -2.919 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.454 -16.541 -3.726 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -15.217 -15.850 -2.820 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.993 -14.532 -1.964 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -17.351 -16.120 -0.666 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -16.702 -17.467 -1.581 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.581 -17.224 0.534 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.491 -16.941 -0.737 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -15.119 -15.636 0.150 1.00 52.43 H new ATOM 601 N VAL A 40 -20.273 -14.970 -5.416 1.00 63.22 N ATOM 602 CA VAL A 40 -21.621 -14.548 -5.071 1.00 35.24 C ATOM 603 C VAL A 40 -22.184 -15.443 -3.977 1.00 33.00 C ATOM 604 O VAL A 40 -22.504 -16.609 -4.212 1.00 4.22 O ATOM 605 CB VAL A 40 -22.567 -14.577 -6.293 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.958 -14.091 -5.912 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.003 -13.739 -7.429 1.00 42.04 C ATOM 0 H VAL A 40 -20.202 -15.936 -5.737 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.558 -13.519 -4.717 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.647 -15.609 -6.634 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.606 -14.120 -6.788 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.369 -14.736 -5.135 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.897 -13.068 -5.540 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.684 -13.773 -8.279 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.888 -12.707 -7.097 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.032 -14.135 -7.726 1.00 42.04 H new ATOM 617 N ILE A 41 -22.286 -14.903 -2.776 1.00 54.23 N ATOM 618 CA ILE A 41 -22.810 -15.667 -1.656 1.00 33.03 C ATOM 619 C ILE A 41 -24.294 -15.378 -1.471 1.00 40.43 C ATOM 620 O ILE A 41 -24.683 -14.291 -1.046 1.00 0.12 O ATOM 621 CB ILE A 41 -22.045 -15.372 -0.345 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.559 -15.708 -0.512 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.641 -16.156 0.818 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.297 -17.155 -0.876 1.00 73.31 C ATOM 0 H ILE A 41 -22.015 -13.946 -2.551 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.671 -16.723 -1.888 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.141 -14.309 -0.122 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.135 -15.066 -1.285 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.037 -15.476 0.416 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.087 -15.933 1.730 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.685 -15.873 0.950 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.578 -17.224 0.607 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.224 -17.316 -0.977 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.689 -17.804 -0.093 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.789 -17.387 -1.820 1.00 73.31 H new ATOM 636 N SER A 42 -25.115 -16.350 -1.823 1.00 20.34 N ATOM 637 CA SER A 42 -26.557 -16.221 -1.709 1.00 24.41 C ATOM 638 C SER A 42 -27.160 -17.543 -1.261 1.00 53.10 C ATOM 639 O SER A 42 -26.641 -18.612 -1.593 1.00 71.22 O ATOM 640 CB SER A 42 -27.157 -15.793 -3.053 1.00 15.34 C ATOM 641 OG SER A 42 -28.575 -15.782 -3.006 1.00 44.11 O ATOM 0 H SER A 42 -24.804 -17.247 -2.194 1.00 20.34 H new ATOM 0 HA SER A 42 -26.787 -15.457 -0.966 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.792 -14.800 -3.316 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.823 -16.474 -3.836 1.00 15.34 H new ATOM 0 HG SER A 42 -28.929 -15.504 -3.876 1.00 44.11 H new ATOM 647 N SER A 43 -28.247 -17.469 -0.506 1.00 30.43 N ATOM 648 CA SER A 43 -28.950 -18.656 -0.050 1.00 73.12 C ATOM 649 C SER A 43 -29.528 -19.438 -1.232 1.00 23.01 C ATOM 650 O SER A 43 -29.913 -20.596 -1.091 1.00 1.22 O ATOM 651 CB SER A 43 -30.062 -18.258 0.918 1.00 14.53 C ATOM 652 OG SER A 43 -29.547 -17.465 1.974 1.00 21.44 O ATOM 0 H SER A 43 -28.663 -16.591 -0.195 1.00 30.43 H new ATOM 0 HA SER A 43 -28.240 -19.303 0.466 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.835 -17.704 0.384 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.534 -19.152 1.325 1.00 14.53 H new ATOM 0 HG SER A 43 -30.274 -17.218 2.583 1.00 21.44 H new ATOM 658 N GLN A 44 -29.573 -18.801 -2.402 1.00 22.21 N ATOM 659 CA GLN A 44 -30.036 -19.459 -3.621 1.00 35.52 C ATOM 660 C GLN A 44 -29.000 -20.466 -4.120 1.00 53.44 C ATOM 661 O GLN A 44 -29.295 -21.309 -4.965 1.00 5.22 O ATOM 662 CB GLN A 44 -30.317 -18.426 -4.715 1.00 53.01 C ATOM 663 CG GLN A 44 -31.405 -17.431 -4.356 1.00 53.14 C ATOM 664 CD GLN A 44 -31.669 -16.425 -5.460 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.045 -15.364 -5.512 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.590 -16.750 -6.353 1.00 42.54 N ATOM 0 H GLN A 44 -29.294 -17.828 -2.530 1.00 22.21 H new ATOM 0 HA GLN A 44 -30.959 -19.990 -3.386 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.398 -17.882 -4.932 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -30.602 -18.947 -5.629 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.326 -17.971 -4.135 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.120 -16.900 -3.448 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.085 -17.638 -6.275 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -32.805 -16.112 -7.119 1.00 42.54 H new ATOM 675 N PHE A 45 -27.780 -20.361 -3.600 1.00 2.34 N ATOM 676 CA PHE A 45 -26.707 -21.280 -3.967 1.00 54.05 C ATOM 677 C PHE A 45 -26.427 -22.272 -2.841 1.00 52.21 C ATOM 678 O PHE A 45 -25.703 -23.250 -3.030 1.00 54.32 O ATOM 679 CB PHE A 45 -25.419 -20.512 -4.277 1.00 21.10 C ATOM 680 CG PHE A 45 -25.421 -19.762 -5.579 1.00 62.12 C ATOM 681 CD1 PHE A 45 -25.342 -20.443 -6.784 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.458 -18.377 -5.598 1.00 52.02 C ATOM 683 CE1 PHE A 45 -25.301 -19.754 -7.982 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.426 -17.683 -6.794 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.343 -18.374 -7.988 1.00 32.51 C ATOM 0 H PHE A 45 -27.510 -19.648 -2.923 1.00 2.34 H new ATOM 0 HA PHE A 45 -27.033 -21.823 -4.854 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.233 -19.805 -3.469 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -24.587 -21.216 -4.283 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -25.312 -21.523 -6.787 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.513 -17.832 -4.667 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.236 -20.296 -8.914 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.466 -16.604 -6.795 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.311 -17.836 -8.924 1.00 32.51 H new ATOM 695 N GLN A 46 -27.007 -22.025 -1.678 1.00 72.45 N ATOM 696 CA GLN A 46 -26.707 -22.822 -0.500 1.00 75.13 C ATOM 697 C GLN A 46 -27.615 -24.043 -0.434 1.00 33.34 C ATOM 698 O GLN A 46 -28.829 -23.942 -0.632 1.00 13.13 O ATOM 699 CB GLN A 46 -26.841 -21.962 0.766 1.00 64.41 C ATOM 700 CG GLN A 46 -26.318 -22.627 2.031 1.00 21.44 C ATOM 701 CD GLN A 46 -27.412 -23.261 2.868 1.00 44.02 C ATOM 702 OE1 GLN A 46 -28.445 -23.687 2.357 1.00 34.13 O ATOM 703 NE2 GLN A 46 -27.191 -23.329 4.166 1.00 64.01 N ATOM 0 H GLN A 46 -27.687 -21.280 -1.524 1.00 72.45 H new ATOM 0 HA GLN A 46 -25.678 -23.176 -0.566 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -26.305 -21.025 0.613 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -27.891 -21.709 0.910 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -25.590 -23.391 1.758 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -25.792 -21.886 2.633 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -26.321 -22.965 4.555 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -27.890 -23.746 4.781 1.00 64.01 H new ATOM 712 N GLY A 47 -27.018 -25.197 -0.174 1.00 61.23 N ATOM 713 CA GLY A 47 -27.778 -26.427 -0.066 1.00 30.52 C ATOM 714 C GLY A 47 -28.230 -26.955 -1.412 1.00 5.25 C ATOM 715 O GLY A 47 -29.078 -27.846 -1.489 1.00 33.03 O ATOM 0 H GLY A 47 -26.013 -25.304 -0.035 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -27.169 -27.183 0.430 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -28.651 -26.256 0.564 1.00 30.52 H new ATOM 719 N LYS A 48 -27.670 -26.408 -2.480 1.00 74.22 N ATOM 720 CA LYS A 48 -28.041 -26.822 -3.822 1.00 25.13 C ATOM 721 C LYS A 48 -27.094 -27.903 -4.308 1.00 55.24 C ATOM 722 O LYS A 48 -25.900 -27.870 -4.011 1.00 42.13 O ATOM 723 CB LYS A 48 -28.005 -25.633 -4.788 1.00 2.30 C ATOM 724 CG LYS A 48 -28.701 -24.382 -4.269 1.00 31.41 C ATOM 725 CD LYS A 48 -30.151 -24.637 -3.897 1.00 43.32 C ATOM 726 CE LYS A 48 -30.985 -25.037 -5.099 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.413 -25.198 -4.733 1.00 10.22 N ATOM 0 H LYS A 48 -26.959 -25.678 -2.443 1.00 74.22 H new ATOM 0 HA LYS A 48 -29.058 -27.214 -3.792 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -26.965 -25.391 -5.009 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.470 -25.930 -5.728 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -28.166 -24.007 -3.397 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -28.656 -23.603 -5.030 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -30.199 -25.424 -3.145 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.573 -23.739 -3.446 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -30.890 -24.281 -5.878 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -30.606 -25.971 -5.513 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -32.958 -25.472 -5.575 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.504 -25.936 -4.006 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -32.779 -24.299 -4.360 1.00 10.22 H new ATOM 741 N SER A 49 -27.625 -28.860 -5.043 1.00 13.41 N ATOM 742 CA SER A 49 -26.809 -29.910 -5.619 1.00 51.51 C ATOM 743 C SER A 49 -26.118 -29.389 -6.878 1.00 12.24 C ATOM 744 O SER A 49 -26.413 -28.282 -7.338 1.00 74.40 O ATOM 745 CB SER A 49 -27.679 -31.130 -5.924 1.00 73.24 C ATOM 746 OG SER A 49 -28.380 -31.540 -4.757 1.00 23.44 O ATOM 0 H SER A 49 -28.620 -28.932 -5.256 1.00 13.41 H new ATOM 0 HA SER A 49 -26.039 -30.213 -4.910 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.388 -30.891 -6.717 1.00 73.24 H new ATOM 0 HB3 SER A 49 -27.057 -31.947 -6.289 1.00 73.24 H new ATOM 0 HG SER A 49 -28.935 -32.321 -4.966 1.00 23.44 H new ATOM 752 N LYS A 50 -25.188 -30.173 -7.419 1.00 4.42 N ATOM 753 CA LYS A 50 -24.438 -29.771 -8.604 1.00 71.43 C ATOM 754 C LYS A 50 -25.362 -29.366 -9.748 1.00 23.45 C ATOM 755 O LYS A 50 -25.117 -28.362 -10.413 1.00 32.41 O ATOM 756 CB LYS A 50 -23.495 -30.886 -9.061 1.00 4.10 C ATOM 757 CG LYS A 50 -22.257 -31.030 -8.186 1.00 64.11 C ATOM 758 CD LYS A 50 -21.267 -32.039 -8.754 1.00 23.40 C ATOM 759 CE LYS A 50 -21.632 -33.478 -8.410 1.00 14.31 C ATOM 760 NZ LYS A 50 -22.883 -33.934 -9.073 1.00 52.11 N ATOM 0 H LYS A 50 -24.936 -31.092 -7.054 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.844 -28.900 -8.325 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -24.038 -31.831 -9.067 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -23.184 -30.691 -10.087 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.769 -30.060 -8.087 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.556 -31.340 -7.185 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.223 -31.929 -9.838 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.270 -31.820 -8.371 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.812 -34.135 -8.702 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.745 -33.570 -7.330 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -22.818 -34.952 -9.273 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -23.693 -33.755 -8.446 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -23.013 -33.413 -9.964 1.00 52.11 H new ATOM 774 N LEU A 51 -26.425 -30.132 -9.959 1.00 35.35 N ATOM 775 CA LEU A 51 -27.384 -29.835 -11.022 1.00 23.42 C ATOM 776 C LEU A 51 -27.931 -28.418 -10.877 1.00 5.20 C ATOM 777 O LEU A 51 -27.816 -27.602 -11.795 1.00 63.51 O ATOM 778 CB LEU A 51 -28.543 -30.843 -11.013 1.00 12.31 C ATOM 779 CG LEU A 51 -28.263 -32.199 -11.675 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.917 -32.018 -13.143 1.00 43.12 C ATOM 781 CD2 LEU A 51 -27.148 -32.945 -10.959 1.00 32.51 C ATOM 0 H LEU A 51 -26.647 -30.963 -9.410 1.00 35.35 H new ATOM 0 HA LEU A 51 -26.859 -29.915 -11.974 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -28.836 -31.020 -9.978 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -29.398 -30.387 -11.512 1.00 12.31 H new ATOM 0 HG LEU A 51 -29.172 -32.797 -11.600 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -27.722 -32.991 -13.594 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -28.751 -31.541 -13.657 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.029 -31.392 -13.233 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -26.975 -33.901 -11.453 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.235 -32.350 -10.989 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -27.434 -33.119 -9.922 1.00 32.51 H new ATOM 793 N GLU A 52 -28.499 -28.131 -9.711 1.00 71.20 N ATOM 794 CA GLU A 52 -29.072 -26.821 -9.425 1.00 3.31 C ATOM 795 C GLU A 52 -28.035 -25.712 -9.580 1.00 30.12 C ATOM 796 O GLU A 52 -28.326 -24.663 -10.159 1.00 1.51 O ATOM 797 CB GLU A 52 -29.655 -26.784 -8.006 1.00 30.33 C ATOM 798 CG GLU A 52 -30.985 -27.511 -7.850 1.00 23.32 C ATOM 799 CD GLU A 52 -30.908 -28.986 -8.187 1.00 25.24 C ATOM 800 OE1 GLU A 52 -29.916 -29.638 -7.799 1.00 33.02 O ATOM 801 OE2 GLU A 52 -31.834 -29.492 -8.852 1.00 61.13 O ATOM 0 H GLU A 52 -28.575 -28.796 -8.941 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.870 -26.651 -10.148 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.932 -27.223 -7.318 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -29.787 -25.744 -7.708 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.334 -27.398 -6.824 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -31.727 -27.037 -8.493 1.00 23.32 H new ATOM 808 N GLN A 53 -26.830 -25.946 -9.065 1.00 12.11 N ATOM 809 CA GLN A 53 -25.768 -24.944 -9.127 1.00 42.34 C ATOM 810 C GLN A 53 -25.343 -24.681 -10.569 1.00 43.01 C ATOM 811 O GLN A 53 -25.174 -23.526 -10.972 1.00 50.30 O ATOM 812 CB GLN A 53 -24.562 -25.370 -8.283 1.00 43.04 C ATOM 813 CG GLN A 53 -24.858 -25.431 -6.792 1.00 62.32 C ATOM 814 CD GLN A 53 -23.622 -25.707 -5.957 1.00 34.52 C ATOM 815 OE1 GLN A 53 -22.930 -24.787 -5.527 1.00 70.33 O ATOM 816 NE2 GLN A 53 -23.340 -26.977 -5.715 1.00 33.33 N ATOM 0 H GLN A 53 -26.565 -26.816 -8.602 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.165 -24.016 -8.715 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.221 -26.350 -8.618 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -23.743 -24.672 -8.455 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.301 -24.487 -6.475 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -25.598 -26.209 -6.605 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -23.939 -27.713 -6.090 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -22.524 -27.220 -5.154 1.00 33.33 H new ATOM 825 N HIS A 54 -25.191 -25.747 -11.355 1.00 11.40 N ATOM 826 CA HIS A 54 -24.817 -25.609 -12.763 1.00 50.22 C ATOM 827 C HIS A 54 -25.876 -24.807 -13.502 1.00 75.33 C ATOM 828 O HIS A 54 -25.556 -23.944 -14.318 1.00 22.05 O ATOM 829 CB HIS A 54 -24.649 -26.975 -13.442 1.00 60.03 C ATOM 830 CG HIS A 54 -23.551 -27.819 -12.863 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.384 -27.479 -12.262 1.00 44.12 N flip ATOM 832 CD2 HIS A 54 -23.595 -29.198 -12.847 1.00 72.31 C flip ATOM 833 CE1 HIS A 54 -21.763 -28.645 -11.895 1.00 21.24 C flip ATOM 834 NE2 HIS A 54 -22.515 -29.665 -12.258 1.00 73.11 N flip ATOM 0 H HIS A 54 -25.320 -26.710 -11.044 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.859 -25.090 -12.801 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.589 -27.522 -13.370 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -24.451 -26.819 -14.503 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -24.393 -29.801 -13.255 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.811 -28.716 -11.390 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -22.297 -30.650 -12.108 1.00 73.11 H new ATOM 843 N ARG A 55 -27.136 -25.092 -13.191 1.00 60.31 N ATOM 844 CA ARG A 55 -28.261 -24.370 -13.772 1.00 40.14 C ATOM 845 C ARG A 55 -28.198 -22.894 -13.430 1.00 43.34 C ATOM 846 O ARG A 55 -28.386 -22.041 -14.294 1.00 3.25 O ATOM 847 CB ARG A 55 -29.579 -24.938 -13.259 1.00 52.11 C ATOM 848 CG ARG A 55 -29.942 -26.278 -13.876 1.00 35.13 C ATOM 849 CD ARG A 55 -31.176 -26.884 -13.231 1.00 61.41 C ATOM 850 NE ARG A 55 -31.379 -28.270 -13.648 1.00 74.14 N ATOM 851 CZ ARG A 55 -32.254 -29.097 -13.082 1.00 14.23 C ATOM 852 NH1 ARG A 55 -33.056 -28.664 -12.122 1.00 74.13 N ATOM 853 NH2 ARG A 55 -32.340 -30.353 -13.491 1.00 52.14 N ATOM 0 H ARG A 55 -27.405 -25.825 -12.534 1.00 60.31 H new ATOM 0 HA ARG A 55 -28.203 -24.489 -14.854 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.521 -25.049 -12.176 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -30.377 -24.224 -13.464 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -30.117 -26.150 -14.944 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -29.103 -26.965 -13.770 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -31.078 -26.841 -12.146 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -32.052 -26.292 -13.495 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.815 -28.625 -14.420 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -33.005 -27.693 -11.814 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -33.725 -29.301 -11.691 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.735 -30.688 -14.241 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -33.011 -30.986 -13.056 1.00 52.14 H new ATOM 867 N MET A 56 -27.937 -22.601 -12.168 1.00 5.13 N ATOM 868 CA MET A 56 -27.909 -21.225 -11.711 1.00 13.24 C ATOM 869 C MET A 56 -26.817 -20.435 -12.426 1.00 73.24 C ATOM 870 O MET A 56 -27.040 -19.307 -12.877 1.00 12.14 O ATOM 871 CB MET A 56 -27.696 -21.151 -10.199 1.00 12.34 C ATOM 872 CG MET A 56 -28.909 -21.565 -9.386 1.00 75.15 C ATOM 873 SD MET A 56 -30.307 -20.450 -9.609 1.00 61.02 S ATOM 874 CE MET A 56 -29.606 -18.913 -9.012 1.00 11.14 C ATOM 0 H MET A 56 -27.743 -23.294 -11.446 1.00 5.13 H new ATOM 0 HA MET A 56 -28.876 -20.782 -11.949 1.00 13.24 H new ATOM 0 HB2 MET A 56 -26.855 -21.789 -9.929 1.00 12.34 H new ATOM 0 HB3 MET A 56 -27.422 -20.131 -9.930 1.00 12.34 H new ATOM 0 HG2 MET A 56 -29.205 -22.575 -9.671 1.00 75.15 H new ATOM 0 HG3 MET A 56 -28.640 -21.598 -8.330 1.00 75.15 H new ATOM 0 HE1 MET A 56 -30.409 -18.238 -8.715 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.965 -19.115 -8.153 1.00 11.14 H new ATOM 0 HE3 MET A 56 -29.017 -18.450 -9.804 1.00 11.14 H new ATOM 884 N ILE A 57 -25.636 -21.036 -12.539 1.00 55.45 N ATOM 885 CA ILE A 57 -24.519 -20.393 -13.227 1.00 13.21 C ATOM 886 C ILE A 57 -24.806 -20.282 -14.723 1.00 34.43 C ATOM 887 O ILE A 57 -24.486 -19.276 -15.354 1.00 62.10 O ATOM 888 CB ILE A 57 -23.192 -21.153 -13.000 1.00 42.03 C ATOM 889 CG1 ILE A 57 -22.941 -21.340 -11.501 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.028 -20.413 -13.641 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.953 -20.048 -10.716 1.00 2.10 C ATOM 0 H ILE A 57 -25.427 -21.962 -12.166 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.410 -19.394 -12.806 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.273 -22.133 -13.470 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.701 -22.008 -11.095 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -21.978 -21.830 -11.362 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.105 -20.967 -13.468 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.201 -20.322 -14.713 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.942 -19.419 -13.202 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.768 -20.260 -9.663 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.175 -19.385 -11.094 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -23.925 -19.566 -10.824 1.00 2.10 H new ATOM 903 N TYR A 58 -25.433 -21.312 -15.277 1.00 15.22 N ATOM 904 CA TYR A 58 -25.852 -21.305 -16.676 1.00 4.35 C ATOM 905 C TYR A 58 -26.863 -20.189 -16.921 1.00 73.40 C ATOM 906 O TYR A 58 -26.924 -19.615 -18.004 1.00 43.54 O ATOM 907 CB TYR A 58 -26.461 -22.661 -17.052 1.00 3.41 C ATOM 908 CG TYR A 58 -26.867 -22.765 -18.504 1.00 74.31 C ATOM 909 CD1 TYR A 58 -25.909 -22.822 -19.505 1.00 21.34 C ATOM 910 CD2 TYR A 58 -28.207 -22.800 -18.875 1.00 0.24 C ATOM 911 CE1 TYR A 58 -26.270 -22.915 -20.832 1.00 75.23 C ATOM 912 CE2 TYR A 58 -28.575 -22.895 -20.202 1.00 44.13 C ATOM 913 CZ TYR A 58 -27.603 -22.948 -21.175 1.00 54.23 C ATOM 914 OH TYR A 58 -27.961 -23.041 -22.500 1.00 40.03 O ATOM 0 H TYR A 58 -25.665 -22.170 -14.776 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.977 -21.127 -17.301 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -25.740 -23.447 -16.829 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -27.335 -22.843 -16.426 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -24.862 -22.793 -19.240 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -28.971 -22.752 -18.113 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -25.511 -22.962 -21.599 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -29.619 -22.928 -20.475 1.00 44.13 H new ATOM 0 HH TYR A 58 -28.938 -23.054 -22.575 1.00 40.03 H new ATOM 924 N LYS A 59 -27.653 -19.892 -15.899 1.00 73.42 N ATOM 925 CA LYS A 59 -28.671 -18.860 -15.990 1.00 51.11 C ATOM 926 C LYS A 59 -28.044 -17.470 -15.940 1.00 44.10 C ATOM 927 O LYS A 59 -28.383 -16.603 -16.749 1.00 22.41 O ATOM 928 CB LYS A 59 -29.696 -19.020 -14.864 1.00 13.12 C ATOM 929 CG LYS A 59 -30.894 -18.094 -14.987 1.00 73.15 C ATOM 930 CD LYS A 59 -31.925 -18.370 -13.905 1.00 61.04 C ATOM 931 CE LYS A 59 -32.359 -19.825 -13.917 1.00 2.45 C ATOM 932 NZ LYS A 59 -33.402 -20.102 -12.898 1.00 73.34 N ATOM 0 H LYS A 59 -27.606 -20.356 -14.992 1.00 73.42 H new ATOM 0 HA LYS A 59 -29.181 -18.971 -16.947 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -30.047 -20.052 -14.849 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.204 -18.837 -13.909 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.563 -17.058 -14.919 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -31.352 -18.219 -15.968 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.508 -18.121 -12.929 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -32.793 -17.728 -14.054 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -32.740 -20.081 -14.905 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -31.494 -20.463 -13.734 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -33.670 -21.106 -12.940 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -33.030 -19.882 -11.952 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -34.238 -19.512 -13.087 1.00 73.34 H new ATOM 946 N VAL A 60 -27.131 -17.258 -14.994 1.00 40.42 N ATOM 947 CA VAL A 60 -26.495 -15.950 -14.836 1.00 13.04 C ATOM 948 C VAL A 60 -25.513 -15.667 -15.979 1.00 62.12 C ATOM 949 O VAL A 60 -25.442 -14.546 -16.482 1.00 21.20 O ATOM 950 CB VAL A 60 -25.788 -15.808 -13.461 1.00 40.25 C ATOM 951 CG1 VAL A 60 -24.674 -16.830 -13.293 1.00 54.03 C ATOM 952 CG2 VAL A 60 -25.248 -14.393 -13.273 1.00 74.32 C ATOM 0 H VAL A 60 -26.817 -17.967 -14.331 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.291 -15.206 -14.875 1.00 13.04 H new ATOM 0 HB VAL A 60 -26.534 -16.002 -12.690 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -24.203 -16.698 -12.319 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.089 -17.835 -13.363 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -23.930 -16.689 -14.077 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -24.757 -14.317 -12.303 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -24.530 -14.170 -14.062 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -26.071 -13.680 -13.320 1.00 74.32 H new ATOM 962 N LEU A 61 -24.785 -16.691 -16.414 1.00 32.20 N ATOM 963 CA LEU A 61 -23.824 -16.545 -17.505 1.00 23.13 C ATOM 964 C LEU A 61 -24.433 -17.029 -18.817 1.00 43.05 C ATOM 965 O LEU A 61 -23.742 -17.586 -19.673 1.00 70.44 O ATOM 966 CB LEU A 61 -22.539 -17.324 -17.190 1.00 21.35 C ATOM 967 CG LEU A 61 -21.771 -16.843 -15.955 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.527 -17.690 -15.744 1.00 14.42 C ATOM 969 CD2 LEU A 61 -21.395 -15.375 -16.098 1.00 52.20 C ATOM 0 H LEU A 61 -24.842 -17.633 -16.027 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.573 -15.489 -17.610 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.795 -18.375 -17.053 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.877 -17.267 -18.054 1.00 21.35 H new ATOM 0 HG LEU A 61 -22.417 -16.950 -15.083 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.991 -17.337 -14.863 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.816 -18.731 -15.600 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.880 -17.611 -16.618 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -20.850 -15.051 -15.211 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -20.766 -15.245 -16.978 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.300 -14.777 -16.207 1.00 52.20 H new ATOM 981 N ASP A 62 -25.730 -16.779 -18.969 1.00 51.31 N ATOM 982 CA ASP A 62 -26.489 -17.224 -20.137 1.00 11.45 C ATOM 983 C ASP A 62 -25.899 -16.680 -21.435 1.00 35.13 C ATOM 984 O ASP A 62 -25.466 -15.526 -21.504 1.00 45.22 O ATOM 985 CB ASP A 62 -27.951 -16.789 -20.010 1.00 14.42 C ATOM 986 CG ASP A 62 -28.778 -17.195 -21.211 1.00 30.25 C ATOM 987 OD1 ASP A 62 -29.174 -18.376 -21.292 1.00 3.33 O ATOM 988 OD2 ASP A 62 -29.028 -16.338 -22.084 1.00 64.21 O ATOM 0 H ASP A 62 -26.286 -16.263 -18.287 1.00 51.31 H new ATOM 0 HA ASP A 62 -26.432 -18.312 -20.173 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -28.381 -17.228 -19.110 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -27.996 -15.707 -19.890 1.00 14.42 H new ATOM 993 N GLY A 63 -25.889 -17.525 -22.458 1.00 4.15 N ATOM 994 CA GLY A 63 -25.352 -17.148 -23.748 1.00 43.43 C ATOM 995 C GLY A 63 -24.735 -18.338 -24.450 1.00 33.13 C ATOM 996 O GLY A 63 -24.930 -18.543 -25.648 1.00 43.24 O ATOM 0 H GLY A 63 -26.249 -18.478 -22.413 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -26.145 -16.728 -24.367 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -24.601 -16.368 -23.619 1.00 43.43 H new ATOM 1000 N LEU A 64 -23.993 -19.124 -23.686 1.00 51.34 N ATOM 1001 CA LEU A 64 -23.359 -20.338 -24.184 1.00 3.45 C ATOM 1002 C LEU A 64 -23.471 -21.431 -23.137 1.00 42.35 C ATOM 1003 O LEU A 64 -23.952 -21.182 -22.028 1.00 0.34 O ATOM 1004 CB LEU A 64 -21.878 -20.088 -24.496 1.00 54.54 C ATOM 1005 CG LEU A 64 -21.596 -19.185 -25.694 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -20.109 -18.885 -25.796 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -22.091 -19.841 -26.972 1.00 63.23 C ATOM 0 H LEU A 64 -23.812 -18.939 -22.699 1.00 51.34 H new ATOM 0 HA LEU A 64 -23.864 -20.643 -25.100 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -21.410 -19.649 -23.615 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -21.395 -21.050 -24.668 1.00 54.54 H new ATOM 0 HG LEU A 64 -22.128 -18.244 -25.553 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -19.926 -18.240 -26.656 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -19.776 -18.382 -24.888 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -19.557 -19.817 -25.918 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -21.885 -19.188 -27.820 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -21.579 -20.793 -27.114 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -23.165 -20.014 -26.900 1.00 63.23 H new ATOM 1019 N ASN A 65 -23.026 -22.632 -23.475 1.00 64.21 N ATOM 1020 CA ASN A 65 -22.926 -23.696 -22.486 1.00 60.20 C ATOM 1021 C ASN A 65 -21.664 -23.453 -21.672 1.00 64.31 C ATOM 1022 O ASN A 65 -20.620 -24.064 -21.907 1.00 34.35 O ATOM 1023 CB ASN A 65 -22.884 -25.076 -23.144 1.00 11.43 C ATOM 1024 CG ASN A 65 -23.066 -26.201 -22.141 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -23.802 -26.069 -21.163 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -22.384 -27.311 -22.370 1.00 54.41 N ATOM 0 H ASN A 65 -22.731 -22.893 -24.416 1.00 64.21 H new ATOM 0 HA ASN A 65 -23.807 -23.683 -21.844 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -23.665 -25.138 -23.901 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -21.931 -25.202 -23.658 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -22.458 -28.097 -21.724 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -21.785 -27.381 -23.192 1.00 54.41 H new ATOM 1080 N ILE A 69 -15.444 -20.822 -15.091 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.179 -20.761 -14.380 1.00 0.05 C ATOM 1082 C ILE A 69 -14.116 -19.445 -13.618 1.00 34.51 C ATOM 1083 O ILE A 69 -14.668 -18.444 -14.078 1.00 0.24 O ATOM 1084 CB ILE A 69 -12.972 -20.866 -15.343 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -13.040 -22.172 -16.136 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -11.653 -20.779 -14.581 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -11.891 -22.355 -17.102 1.00 43.35 C ATOM 0 HA ILE A 69 -14.123 -21.607 -13.695 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.018 -20.027 -16.037 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -13.055 -23.010 -15.439 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -13.978 -22.202 -16.690 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -10.822 -20.856 -15.282 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -11.598 -19.825 -14.056 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -11.595 -21.594 -13.860 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -12.006 -23.302 -17.629 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -11.888 -21.537 -17.823 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -10.950 -22.358 -16.552 1.00 43.35 H new ATOM 1099 N GLN A 70 -13.469 -19.461 -12.450 1.00 62.22 N ATOM 1100 CA GLN A 70 -13.366 -18.279 -11.592 1.00 45.13 C ATOM 1101 C GLN A 70 -14.727 -17.911 -11.009 1.00 54.23 C ATOM 1102 O GLN A 70 -14.953 -16.780 -10.585 1.00 20.23 O ATOM 1103 CB GLN A 70 -12.760 -17.096 -12.356 1.00 3.32 C ATOM 1104 CG GLN A 70 -11.346 -17.363 -12.843 1.00 45.50 C ATOM 1105 CD GLN A 70 -10.754 -16.205 -13.622 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -11.466 -15.455 -14.290 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -9.443 -16.055 -13.543 1.00 43.43 N ATOM 0 H GLN A 70 -13.005 -20.288 -12.075 1.00 62.22 H new ATOM 0 HA GLN A 70 -12.698 -18.521 -10.765 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -13.394 -16.860 -13.211 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -12.756 -16.218 -11.710 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -10.708 -17.580 -11.986 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -11.347 -18.253 -13.472 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -8.889 -16.699 -12.978 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -8.985 -15.295 -14.047 1.00 43.43 H new ATOM 1116 N ILE A 71 -15.622 -18.885 -10.981 1.00 33.52 N ATOM 1117 CA ILE A 71 -16.922 -18.716 -10.356 1.00 32.34 C ATOM 1118 C ILE A 71 -16.877 -19.286 -8.945 1.00 21.45 C ATOM 1119 O ILE A 71 -16.459 -20.429 -8.745 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.040 -19.415 -11.172 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.391 -19.320 -10.454 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -17.686 -20.874 -11.441 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -19.979 -17.924 -10.410 1.00 61.50 C ATOM 0 H ILE A 71 -15.469 -19.808 -11.388 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.152 -17.651 -10.322 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.124 -18.897 -12.127 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.099 -19.984 -10.949 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.273 -19.684 -9.433 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -18.486 -21.343 -12.015 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -16.756 -20.924 -12.007 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -17.563 -21.399 -10.494 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -20.934 -17.948 -9.885 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -19.294 -17.257 -9.887 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -20.133 -17.562 -11.426 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.256 -18.486 -7.966 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.313 -18.964 -6.597 1.00 11.31 C ATOM 1137 C GLN A 72 -18.708 -18.747 -6.037 1.00 41.51 C ATOM 1138 O GLN A 72 -19.111 -17.619 -5.748 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.258 -18.260 -5.736 1.00 73.05 C ATOM 1140 CG GLN A 72 -14.837 -18.501 -6.223 1.00 75.12 C ATOM 1141 CD GLN A 72 -13.780 -17.876 -5.333 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -14.000 -16.843 -4.702 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -12.618 -18.508 -5.279 1.00 23.21 N ATOM 0 H GLN A 72 -17.527 -17.511 -8.091 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.094 -20.032 -6.582 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.458 -17.188 -5.730 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.347 -18.606 -4.706 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.660 -19.575 -6.286 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -14.734 -18.101 -7.232 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -12.477 -19.362 -5.818 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -11.864 -18.141 -4.698 1.00 23.21 H new ATOM 1152 N THR A 73 -19.435 -19.845 -5.882 1.00 51.10 N ATOM 1153 CA THR A 73 -20.821 -19.808 -5.447 1.00 71.51 C ATOM 1154 C THR A 73 -21.216 -21.128 -4.797 1.00 31.34 C ATOM 1155 O THR A 73 -20.734 -22.190 -5.194 1.00 0.24 O ATOM 1156 CB THR A 73 -21.779 -19.544 -6.632 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.404 -20.350 -7.758 1.00 14.45 O ATOM 1158 CG2 THR A 73 -21.794 -18.075 -7.035 1.00 60.22 C ATOM 0 H THR A 73 -19.079 -20.785 -6.055 1.00 51.10 H new ATOM 0 HA THR A 73 -20.906 -18.995 -4.726 1.00 71.51 H new ATOM 0 HB THR A 73 -22.784 -19.811 -6.305 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.985 -21.138 -7.805 1.00 14.45 H new ATOM 0 HG21 THR A 73 -22.480 -17.934 -7.871 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.122 -17.469 -6.190 1.00 60.22 H new ATOM 0 HG23 THR A 73 -20.791 -17.769 -7.333 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.070 -21.047 -3.787 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.660 -22.239 -3.208 1.00 10.41 C ATOM 1168 C GLY A 74 -21.664 -23.132 -2.496 1.00 15.25 C ATOM 1169 O GLY A 74 -20.851 -22.664 -1.694 1.00 44.31 O ATOM 0 H GLY A 74 -22.367 -20.172 -3.355 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.437 -21.943 -2.503 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -23.148 -22.812 -3.997 1.00 10.41 H new