USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 30 MET CE :methyl -151:sc= -6.18! (180deg=-4.27!) USER MOD Set 1.2: A 34 SER OG : rot 44:sc= 1.4 USER MOD Set 1.3: A 38 MET CE :methyl -120:sc= -8.18! (180deg=-13.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.603 K(o=0.6,f=-0.91) USER MOD Single : A 17 MET CE :methyl 157:sc= -0.223 (180deg=-1.18) USER MOD Single : A 18 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-8.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 20:sc= -1.11 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -3.22! (180deg=-3.55!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 50 GLN : amide:sc= 2.14 K(o=2.1,f=-5.5!) USER MOD Single : A 51 GLN :FLIP amide:sc= -3.78! C(o=-4.9!,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= 0.809 K(o=0.81,f=-6.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 66 HIS : no HD1:sc= -0.0932 X(o=-0.093,f=0.0061) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -1.44 F(o=-2.6,f=-1.4) USER MOD Single : A 72 GLN : amide:sc=-0.00373 X(o=-0.0037,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.356! C(o=-0.36!,f=-8.2!) USER MOD Single : A 76 SER OG : rot -66:sc= 0.617 USER MOD Single : A 78 TYR OH : rot -9:sc= 0.884 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.551 -6.632 1.539 1.00 70.34 N ATOM 66 CA ASP A 5 8.841 -7.288 1.484 1.00 52.01 C ATOM 67 C ASP A 5 8.605 -8.791 1.587 1.00 14.04 C ATOM 68 O ASP A 5 7.474 -9.258 1.354 1.00 34.30 O ATOM 69 CB ASP A 5 9.737 -6.782 2.637 1.00 72.04 C ATOM 70 CG ASP A 5 10.244 -5.366 2.367 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.021 -4.856 1.283 1.00 71.24 O ATOM 72 OD2 ASP A 5 10.850 -4.799 3.252 1.00 63.22 O ATOM 0 HA ASP A 5 9.353 -7.062 0.548 1.00 52.01 H new ATOM 0 HB2 ASP A 5 9.175 -6.797 3.571 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.584 -7.456 2.764 1.00 72.04 H new ATOM 77 N ILE A 6 9.623 -9.556 1.942 1.00 61.21 N ATOM 78 CA ILE A 6 9.447 -10.992 2.077 1.00 73.32 C ATOM 79 C ILE A 6 9.839 -11.450 3.466 1.00 11.45 C ATOM 80 O ILE A 6 10.540 -10.742 4.195 1.00 13.11 O ATOM 81 CB ILE A 6 10.244 -11.759 1.012 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.737 -11.536 1.220 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.864 -11.236 -0.377 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.519 -12.470 0.314 1.00 10.12 C ATOM 0 H ILE A 6 10.564 -9.215 2.139 1.00 61.21 H new ATOM 0 HA ILE A 6 8.390 -11.211 1.923 1.00 73.32 H new ATOM 0 HB ILE A 6 10.015 -12.822 1.094 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.995 -10.500 1.001 1.00 42.14 H new ATOM 0 HG13 ILE A 6 12.001 -11.717 2.262 1.00 42.14 H new ATOM 0 HG21 ILE A 6 10.428 -11.778 -1.137 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.797 -11.384 -0.542 1.00 61.31 H new ATOM 0 HG23 ILE A 6 10.097 -10.173 -0.442 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.587 -12.311 0.462 1.00 10.12 H new ATOM 0 HD12 ILE A 6 12.269 -13.503 0.554 1.00 10.12 H new ATOM 0 HD13 ILE A 6 12.263 -12.267 -0.726 1.00 10.12 H new ATOM 96 N ARG A 7 9.332 -12.601 3.850 1.00 43.32 N ATOM 97 CA ARG A 7 9.562 -13.118 5.175 1.00 44.44 C ATOM 98 C ARG A 7 10.566 -14.240 5.109 1.00 14.40 C ATOM 99 O ARG A 7 10.310 -15.265 4.469 1.00 73.14 O ATOM 100 CB ARG A 7 8.259 -13.673 5.729 1.00 13.53 C ATOM 101 CG ARG A 7 7.186 -12.591 5.677 1.00 74.33 C ATOM 102 CD ARG A 7 5.873 -13.170 6.187 1.00 62.21 C ATOM 103 NE ARG A 7 5.381 -14.192 5.261 1.00 62.41 N ATOM 104 CZ ARG A 7 4.334 -14.955 5.560 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.760 -14.841 6.724 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.901 -15.815 4.690 1.00 33.44 N ATOM 0 H ARG A 7 8.755 -13.197 3.257 1.00 43.32 H new ATOM 0 HA ARG A 7 9.935 -12.318 5.814 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.945 -14.541 5.149 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.402 -14.010 6.756 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.483 -11.737 6.286 1.00 74.33 H new ATOM 0 HG3 ARG A 7 7.066 -12.228 4.656 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.018 -13.604 7.176 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.133 -12.377 6.292 1.00 62.21 H new ATOM 0 HE ARG A 7 5.852 -14.322 4.366 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.114 -14.168 7.403 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.957 -15.425 6.956 1.00 41.23 H new ATOM 0 HH21 ARG A 7 4.363 -15.902 3.785 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.098 -16.404 4.911 1.00 33.44 H new ATOM 120 N LEU A 8 11.626 -14.101 5.865 1.00 14.31 N ATOM 121 CA LEU A 8 12.625 -15.137 5.992 1.00 32.33 C ATOM 122 C LEU A 8 12.589 -15.713 7.387 1.00 71.45 C ATOM 123 O LEU A 8 12.596 -14.973 8.377 1.00 32.14 O ATOM 124 CB LEU A 8 14.028 -14.593 5.674 1.00 51.41 C ATOM 125 CG LEU A 8 15.103 -15.649 6.017 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.976 -16.854 5.090 1.00 43.15 C ATOM 127 CD2 LEU A 8 16.493 -15.036 5.862 1.00 70.54 C ATOM 0 H LEU A 8 11.823 -13.263 6.413 1.00 14.31 H new ATOM 0 HA LEU A 8 12.400 -15.925 5.273 1.00 32.33 H new ATOM 0 HB2 LEU A 8 14.092 -14.328 4.619 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.210 -13.681 6.243 1.00 51.41 H new ATOM 0 HG LEU A 8 14.958 -15.975 7.047 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.739 -17.590 5.343 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.989 -17.301 5.207 1.00 43.15 H new ATOM 0 HD13 LEU A 8 15.109 -16.534 4.057 1.00 43.15 H new ATOM 0 HD21 LEU A 8 17.249 -15.783 6.104 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.630 -14.701 4.834 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.593 -14.186 6.537 1.00 70.54 H new ATOM 139 N TRP A 9 12.577 -17.023 7.472 1.00 31.14 N ATOM 140 CA TRP A 9 12.593 -17.689 8.753 1.00 63.14 C ATOM 141 C TRP A 9 13.972 -18.267 8.942 1.00 61.44 C ATOM 142 O TRP A 9 14.545 -18.829 7.998 1.00 73.50 O ATOM 143 CB TRP A 9 11.571 -18.826 8.772 1.00 41.11 C ATOM 144 CG TRP A 9 10.380 -18.473 7.935 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.780 -17.259 7.871 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.660 -19.329 7.029 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.720 -17.334 6.991 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.614 -18.593 6.436 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.819 -20.668 6.667 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.746 -19.172 5.520 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.957 -21.256 5.745 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.921 -20.507 5.169 1.00 21.20 C ATOM 0 H TRP A 9 12.556 -17.649 6.667 1.00 31.14 H new ATOM 0 HA TRP A 9 12.344 -16.984 9.546 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.029 -19.741 8.396 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.257 -19.024 9.797 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.082 -16.378 8.419 1.00 3.20 H new ATOM 0 HE1 TRP A 9 8.094 -16.557 6.778 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.616 -21.251 7.105 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.945 -18.593 5.085 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 9.087 -22.293 5.472 1.00 53.55 H new ATOM 0 HH2 TRP A 9 7.258 -20.967 4.452 1.00 21.20 H new ATOM 163 N VAL A 10 14.544 -18.085 10.104 1.00 73.13 N ATOM 164 CA VAL A 10 15.899 -18.541 10.328 1.00 21.41 C ATOM 165 C VAL A 10 15.963 -19.484 11.509 1.00 54.12 C ATOM 166 O VAL A 10 15.483 -19.162 12.608 1.00 12.11 O ATOM 167 CB VAL A 10 16.819 -17.337 10.551 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.286 -17.782 10.670 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.660 -16.345 9.394 1.00 2.31 C ATOM 0 H VAL A 10 14.103 -17.630 10.903 1.00 73.13 H new ATOM 0 HA VAL A 10 16.234 -19.087 9.446 1.00 21.41 H new ATOM 0 HB VAL A 10 16.536 -16.851 11.485 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.919 -16.909 10.828 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.392 -18.464 11.513 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.588 -18.288 9.753 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.316 -15.489 9.556 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.925 -16.834 8.457 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.625 -16.005 9.346 1.00 2.31 H new ATOM 179 N SER A 11 16.623 -20.600 11.302 1.00 71.44 N ATOM 180 CA SER A 11 16.852 -21.552 12.360 1.00 32.15 C ATOM 181 C SER A 11 18.178 -21.214 13.015 1.00 55.14 C ATOM 182 O SER A 11 19.206 -21.160 12.336 1.00 33.30 O ATOM 183 CB SER A 11 16.911 -22.955 11.758 1.00 73.42 C ATOM 184 OG SER A 11 15.952 -23.043 10.696 1.00 53.13 O ATOM 0 H SER A 11 17.014 -20.871 10.400 1.00 71.44 H new ATOM 0 HA SER A 11 16.052 -21.515 13.099 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.912 -23.162 11.380 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.698 -23.703 12.522 1.00 73.42 H new ATOM 0 HG SER A 11 15.983 -23.939 10.301 1.00 53.13 H new ATOM 190 N VAL A 12 18.142 -20.873 14.291 1.00 44.50 N ATOM 191 CA VAL A 12 19.339 -20.414 14.981 1.00 65.33 C ATOM 192 C VAL A 12 19.814 -21.451 15.982 1.00 31.54 C ATOM 193 O VAL A 12 19.063 -21.815 16.899 1.00 45.10 O ATOM 194 CB VAL A 12 19.028 -19.105 15.729 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.317 -18.475 16.272 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.318 -18.115 14.799 1.00 44.14 C ATOM 0 H VAL A 12 17.303 -20.904 14.870 1.00 44.50 H new ATOM 0 HA VAL A 12 20.123 -20.251 14.241 1.00 65.33 H new ATOM 0 HB VAL A 12 18.371 -19.339 16.567 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.077 -17.551 16.798 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.799 -19.169 16.960 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.992 -18.257 15.444 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.105 -17.194 15.342 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.959 -17.893 13.946 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.384 -18.553 14.446 1.00 44.14 H new ATOM 206 N GLU A 13 21.085 -21.819 15.886 1.00 65.32 N ATOM 207 CA GLU A 13 21.708 -22.686 16.877 1.00 15.40 C ATOM 208 C GLU A 13 22.948 -22.038 17.478 1.00 23.23 C ATOM 209 O GLU A 13 23.749 -21.423 16.771 1.00 42.34 O ATOM 210 CB GLU A 13 22.047 -24.062 16.306 1.00 20.03 C ATOM 211 CG GLU A 13 20.750 -24.829 16.021 1.00 1.01 C ATOM 212 CD GLU A 13 21.074 -26.204 15.489 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.913 -26.299 14.622 1.00 34.31 O ATOM 214 OE2 GLU A 13 20.490 -27.148 15.956 1.00 14.21 O ATOM 0 H GLU A 13 21.706 -21.530 15.130 1.00 65.32 H new ATOM 0 HA GLU A 13 20.975 -22.831 17.671 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.628 -23.955 15.390 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.664 -24.619 17.011 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.158 -24.912 16.933 1.00 1.01 H new ATOM 0 HG3 GLU A 13 20.145 -24.282 15.297 1.00 1.01 H new ATOM 221 N ASP A 14 23.083 -22.156 18.787 1.00 22.33 N ATOM 222 CA ASP A 14 24.199 -21.561 19.510 1.00 31.53 C ATOM 223 C ASP A 14 25.259 -22.581 19.888 1.00 2.03 C ATOM 224 O ASP A 14 24.981 -23.778 20.031 1.00 12.43 O ATOM 225 CB ASP A 14 23.705 -20.836 20.755 1.00 1.42 C ATOM 226 CG ASP A 14 24.873 -20.425 21.619 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.637 -19.586 21.200 1.00 24.52 O ATOM 228 OD2 ASP A 14 24.999 -20.974 22.687 1.00 34.20 O ATOM 0 H ASP A 14 22.426 -22.664 19.379 1.00 22.33 H new ATOM 0 HA ASP A 14 24.665 -20.844 18.834 1.00 31.53 H new ATOM 0 HB2 ASP A 14 23.129 -19.956 20.468 1.00 1.42 H new ATOM 0 HB3 ASP A 14 23.036 -21.484 21.320 1.00 1.42 H new ATOM 233 N ALA A 15 26.445 -22.066 20.177 1.00 64.23 N ATOM 234 CA ALA A 15 27.577 -22.867 20.620 1.00 62.10 C ATOM 235 C ALA A 15 27.197 -23.736 21.809 1.00 0.30 C ATOM 236 O ALA A 15 27.836 -24.761 22.067 1.00 4.10 O ATOM 237 CB ALA A 15 28.729 -21.948 21.036 1.00 72.21 C ATOM 0 H ALA A 15 26.651 -21.069 20.110 1.00 64.23 H new ATOM 0 HA ALA A 15 27.881 -23.507 19.792 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.574 -22.551 21.367 1.00 72.21 H new ATOM 0 HB2 ALA A 15 29.031 -21.336 20.186 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.403 -21.302 21.851 1.00 72.21 H new ATOM 243 N GLN A 16 26.234 -23.279 22.582 1.00 3.31 N ATOM 244 CA GLN A 16 25.799 -23.985 23.783 1.00 70.51 C ATOM 245 C GLN A 16 24.534 -24.782 23.503 1.00 44.44 C ATOM 246 O GLN A 16 23.860 -25.240 24.428 1.00 43.52 O ATOM 247 CB GLN A 16 25.572 -22.994 24.917 1.00 25.04 C ATOM 248 CG GLN A 16 26.905 -22.316 25.266 1.00 60.51 C ATOM 249 CD GLN A 16 26.672 -20.856 25.613 1.00 52.33 C ATOM 250 OE1 GLN A 16 27.041 -20.395 26.700 1.00 42.31 O ATOM 251 NE2 GLN A 16 26.087 -20.088 24.752 1.00 32.13 N ATOM 0 H GLN A 16 25.728 -22.412 22.402 1.00 3.31 H new ATOM 0 HA GLN A 16 26.580 -24.684 24.083 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.836 -22.246 24.621 1.00 25.04 H new ATOM 0 HB3 GLN A 16 25.171 -23.508 25.791 1.00 25.04 H new ATOM 0 HG2 GLN A 16 27.373 -22.828 26.107 1.00 60.51 H new ATOM 0 HG3 GLN A 16 27.593 -22.393 24.424 1.00 60.51 H new ATOM 0 HE21 GLN A 16 25.782 -20.467 23.855 1.00 32.13 H new ATOM 0 HE22 GLN A 16 25.931 -19.104 24.970 1.00 32.13 H new ATOM 260 N MET A 17 24.211 -24.930 22.223 1.00 5.31 N ATOM 261 CA MET A 17 23.036 -25.685 21.781 1.00 12.12 C ATOM 262 C MET A 17 21.747 -24.904 21.962 1.00 54.32 C ATOM 263 O MET A 17 20.662 -25.494 21.973 1.00 30.13 O ATOM 264 CB MET A 17 22.930 -27.059 22.483 1.00 21.12 C ATOM 265 CG MET A 17 24.081 -27.958 22.038 1.00 2.23 C ATOM 266 SD MET A 17 23.985 -29.538 22.917 1.00 25.23 S ATOM 267 CE MET A 17 22.465 -30.143 22.145 1.00 74.04 C ATOM 0 H MET A 17 24.755 -24.530 21.458 1.00 5.31 H new ATOM 0 HA MET A 17 23.177 -25.858 20.714 1.00 12.12 H new ATOM 0 HB2 MET A 17 22.956 -26.928 23.565 1.00 21.12 H new ATOM 0 HB3 MET A 17 21.976 -27.528 22.242 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.032 -28.124 20.962 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.036 -27.473 22.242 1.00 2.23 H new ATOM 0 HE1 MET A 17 22.429 -31.230 22.216 1.00 74.04 H new ATOM 0 HE2 MET A 17 21.602 -29.717 22.657 1.00 74.04 H new ATOM 0 HE3 MET A 17 22.447 -29.847 21.096 1.00 74.04 H new ATOM 277 N HIS A 18 21.842 -23.581 22.017 1.00 43.51 N ATOM 278 CA HIS A 18 20.625 -22.782 22.081 1.00 22.43 C ATOM 279 C HIS A 18 20.002 -22.769 20.711 1.00 34.12 C ATOM 280 O HIS A 18 20.601 -22.263 19.766 1.00 31.44 O ATOM 281 CB HIS A 18 20.902 -21.332 22.512 1.00 70.50 C ATOM 282 CG HIS A 18 21.465 -21.294 23.901 1.00 40.41 C ATOM 283 ND1 HIS A 18 22.816 -21.103 24.155 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.862 -21.402 25.128 1.00 21.11 C ATOM 285 CE1 HIS A 18 22.970 -21.101 25.493 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.813 -21.280 26.129 1.00 74.45 N ATOM 0 H HIS A 18 22.715 -23.054 22.019 1.00 43.51 H new ATOM 0 HA HIS A 18 19.962 -23.226 22.824 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.602 -20.867 21.817 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.980 -20.752 22.471 1.00 70.50 H new ATOM 0 HD1 HIS A 18 23.553 -20.986 23.460 1.00 0.13 H new ATOM 0 HD2 HIS A 18 19.806 -21.558 25.290 1.00 21.11 H new ATOM 0 HE1 HIS A 18 23.919 -20.970 25.991 1.00 21.41 H new ATOM 295 N THR A 19 18.836 -23.369 20.585 1.00 71.41 N ATOM 296 CA THR A 19 18.163 -23.445 19.304 1.00 41.11 C ATOM 297 C THR A 19 16.964 -22.504 19.284 1.00 2.13 C ATOM 298 O THR A 19 16.064 -22.615 20.131 1.00 64.45 O ATOM 299 CB THR A 19 17.723 -24.893 19.038 1.00 2.14 C ATOM 300 OG1 THR A 19 18.846 -25.770 19.191 1.00 11.24 O ATOM 301 CG2 THR A 19 17.177 -25.016 17.609 1.00 20.53 C ATOM 0 H THR A 19 18.334 -23.812 21.355 1.00 71.41 H new ATOM 0 HA THR A 19 18.850 -23.137 18.516 1.00 41.11 H new ATOM 0 HB THR A 19 16.943 -25.166 19.749 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.565 -26.694 19.023 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.866 -26.045 17.425 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.321 -24.352 17.488 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.955 -24.739 16.897 1.00 20.53 H new ATOM 309 N VAL A 20 16.959 -21.578 18.339 1.00 62.44 N ATOM 310 CA VAL A 20 15.878 -20.618 18.218 1.00 2.05 C ATOM 311 C VAL A 20 15.417 -20.508 16.777 1.00 1.51 C ATOM 312 O VAL A 20 16.208 -20.675 15.845 1.00 15.42 O ATOM 313 CB VAL A 20 16.332 -19.227 18.729 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.114 -18.327 18.981 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.126 -19.384 20.033 1.00 52.53 C ATOM 0 H VAL A 20 17.696 -21.472 17.642 1.00 62.44 H new ATOM 0 HA VAL A 20 15.045 -20.968 18.827 1.00 2.05 H new ATOM 0 HB VAL A 20 16.964 -18.768 17.969 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.449 -17.354 19.340 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.557 -18.200 18.053 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.470 -18.788 19.730 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.442 -18.403 20.387 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.497 -19.856 20.787 1.00 52.53 H new ATOM 0 HG23 VAL A 20 18.004 -20.005 19.852 1.00 52.53 H new ATOM 325 N THR A 21 14.171 -20.118 16.604 1.00 63.53 N ATOM 326 CA THR A 21 13.622 -19.844 15.297 1.00 44.25 C ATOM 327 C THR A 21 13.287 -18.378 15.256 1.00 12.41 C ATOM 328 O THR A 21 12.553 -17.895 16.126 1.00 11.33 O ATOM 329 CB THR A 21 12.329 -20.654 15.078 1.00 65.22 C ATOM 330 OG1 THR A 21 12.558 -22.034 15.365 1.00 25.54 O ATOM 331 CG2 THR A 21 11.862 -20.509 13.622 1.00 10.42 C ATOM 0 H THR A 21 13.511 -19.982 17.370 1.00 63.53 H new ATOM 0 HA THR A 21 14.339 -20.117 14.523 1.00 44.25 H new ATOM 0 HB THR A 21 11.559 -20.270 15.748 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.730 -22.539 15.224 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.948 -21.084 13.474 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.669 -19.458 13.405 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.637 -20.882 12.952 1.00 10.42 H new ATOM 339 N ILE A 22 13.790 -17.663 14.268 1.00 41.12 N ATOM 340 CA ILE A 22 13.472 -16.254 14.165 1.00 63.41 C ATOM 341 C ILE A 22 12.878 -15.948 12.812 1.00 15.43 C ATOM 342 O ILE A 22 13.136 -16.655 11.824 1.00 50.41 O ATOM 343 CB ILE A 22 14.697 -15.369 14.445 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.781 -15.625 13.402 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.258 -15.681 15.840 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.938 -14.643 13.620 1.00 75.44 C ATOM 0 H ILE A 22 14.407 -18.025 13.541 1.00 41.12 H new ATOM 0 HA ILE A 22 12.731 -16.023 14.930 1.00 63.41 H new ATOM 0 HB ILE A 22 14.389 -14.324 14.398 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.141 -16.651 13.479 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.372 -15.505 12.399 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.126 -15.051 16.032 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.493 -15.485 16.592 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.553 -16.729 15.887 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.714 -14.824 12.876 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.572 -13.621 13.521 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.352 -14.785 14.618 1.00 75.44 H new ATOM 358 N TRP A 23 12.025 -14.956 12.791 1.00 51.20 N ATOM 359 CA TRP A 23 11.304 -14.578 11.600 1.00 45.54 C ATOM 360 C TRP A 23 11.774 -13.223 11.168 1.00 3.15 C ATOM 361 O TRP A 23 11.749 -12.273 11.955 1.00 71.12 O ATOM 362 CB TRP A 23 9.807 -14.545 11.924 1.00 14.21 C ATOM 363 CG TRP A 23 9.491 -15.751 12.754 1.00 32.22 C ATOM 364 CD1 TRP A 23 9.480 -15.775 14.104 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.170 -17.100 12.319 1.00 53.12 C ATOM 366 NE1 TRP A 23 9.168 -17.056 14.525 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.968 -17.909 13.460 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.040 -17.692 11.061 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.649 -19.258 13.354 1.00 24.32 C ATOM 370 CZ3 TRP A 23 8.711 -19.051 10.944 1.00 74.51 C ATOM 371 CH2 TRP A 23 8.520 -19.832 12.094 1.00 12.23 C ATOM 0 H TRP A 23 11.809 -14.382 13.606 1.00 51.20 H new ATOM 0 HA TRP A 23 11.480 -15.292 10.795 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.553 -13.633 12.464 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.218 -14.547 11.007 1.00 14.21 H new ATOM 0 HD1 TRP A 23 9.682 -14.933 14.749 1.00 44.21 H new ATOM 0 HE1 TRP A 23 9.095 -17.335 15.503 1.00 24.00 H new ATOM 0 HE3 TRP A 23 9.194 -17.099 10.171 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.503 -19.855 14.242 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 8.604 -19.497 9.966 1.00 74.51 H new ATOM 0 HH2 TRP A 23 8.273 -20.879 12.001 1.00 12.23 H new ATOM 382 N LEU A 24 12.261 -13.138 9.963 1.00 44.10 N ATOM 383 CA LEU A 24 12.817 -11.906 9.470 1.00 40.20 C ATOM 384 C LEU A 24 12.007 -11.410 8.301 1.00 52.40 C ATOM 385 O LEU A 24 11.674 -12.177 7.402 1.00 21.24 O ATOM 386 CB LEU A 24 14.273 -12.133 9.040 1.00 70.54 C ATOM 387 CG LEU A 24 15.075 -12.742 10.209 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.490 -13.074 9.748 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.163 -11.746 11.371 1.00 21.54 C ATOM 0 H LEU A 24 12.285 -13.911 9.298 1.00 44.10 H new ATOM 0 HA LEU A 24 12.790 -11.157 10.262 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.307 -12.799 8.178 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.722 -11.189 8.732 1.00 70.54 H new ATOM 0 HG LEU A 24 14.565 -13.647 10.540 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.052 -13.504 10.578 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.447 -13.792 8.929 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.985 -12.164 9.408 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.732 -12.190 12.188 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.661 -10.837 11.034 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.159 -11.502 11.718 1.00 21.54 H new ATOM 401 N THR A 25 11.793 -10.120 8.254 1.00 32.11 N ATOM 402 CA THR A 25 11.156 -9.516 7.115 1.00 20.03 C ATOM 403 C THR A 25 12.241 -8.842 6.293 1.00 15.11 C ATOM 404 O THR A 25 13.041 -8.057 6.827 1.00 30.42 O ATOM 405 CB THR A 25 10.089 -8.506 7.572 1.00 11.33 C ATOM 406 OG1 THR A 25 9.545 -8.923 8.834 1.00 74.12 O ATOM 407 CG2 THR A 25 8.964 -8.462 6.534 1.00 51.01 C ATOM 0 H THR A 25 12.052 -9.467 8.994 1.00 32.11 H new ATOM 0 HA THR A 25 10.645 -10.266 6.511 1.00 20.03 H new ATOM 0 HB THR A 25 10.540 -7.519 7.675 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.867 -8.279 9.127 1.00 74.12 H new ATOM 0 HG21 THR A 25 8.204 -7.748 6.851 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.370 -8.155 5.570 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.516 -9.451 6.441 1.00 51.01 H new ATOM 415 N VAL A 26 12.396 -9.297 5.074 1.00 24.42 N ATOM 416 CA VAL A 26 13.506 -8.888 4.240 1.00 0.53 C ATOM 417 C VAL A 26 13.074 -8.800 2.800 1.00 14.44 C ATOM 418 O VAL A 26 11.912 -8.993 2.487 1.00 61.52 O ATOM 419 CB VAL A 26 14.669 -9.895 4.393 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.948 -10.130 5.877 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.289 -11.239 3.760 1.00 64.00 C ATOM 0 H VAL A 26 11.760 -9.959 4.630 1.00 24.42 H new ATOM 0 HA VAL A 26 13.846 -7.902 4.557 1.00 0.53 H new ATOM 0 HB VAL A 26 15.550 -9.487 3.898 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.768 -10.840 5.985 1.00 14.20 H new ATOM 0 HG12 VAL A 26 15.220 -9.186 6.350 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.055 -10.531 6.356 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.115 -11.941 3.873 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.404 -11.637 4.256 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.078 -11.095 2.700 1.00 64.00 H new ATOM 431 N ARG A 27 14.024 -8.586 1.926 1.00 33.21 N ATOM 432 CA ARG A 27 13.756 -8.558 0.509 1.00 4.21 C ATOM 433 C ARG A 27 14.848 -9.303 -0.224 1.00 3.32 C ATOM 434 O ARG A 27 15.997 -9.304 0.213 1.00 72.11 O ATOM 435 CB ARG A 27 13.668 -7.122 0.024 1.00 30.33 C ATOM 436 CG ARG A 27 14.913 -6.350 0.480 1.00 13.41 C ATOM 437 CD ARG A 27 14.515 -5.110 1.292 1.00 0.42 C ATOM 438 NE ARG A 27 13.154 -4.669 0.975 1.00 5.44 N ATOM 439 CZ ARG A 27 12.797 -4.259 -0.246 1.00 52.45 C ATOM 440 NH1 ARG A 27 13.655 -4.288 -1.235 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.580 -3.860 -0.446 1.00 23.52 N ATOM 0 H ARG A 27 15.001 -8.427 2.174 1.00 33.21 H new ATOM 0 HA ARG A 27 12.801 -9.045 0.309 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.590 -7.098 -1.063 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.769 -6.648 0.418 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.548 -6.998 1.084 1.00 13.41 H new ATOM 0 HG3 ARG A 27 15.499 -6.049 -0.389 1.00 13.41 H new ATOM 0 HD2 ARG A 27 14.587 -5.334 2.356 1.00 0.42 H new ATOM 0 HD3 ARG A 27 15.217 -4.301 1.088 1.00 0.42 H new ATOM 0 HE ARG A 27 12.452 -4.675 1.715 1.00 5.44 H new ATOM 0 HH11 ARG A 27 14.604 -4.625 -1.077 1.00 55.30 H new ATOM 0 HH12 ARG A 27 13.374 -3.973 -2.164 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.910 -3.862 0.323 1.00 23.52 H new ATOM 0 HH22 ARG A 27 11.293 -3.544 -1.372 1.00 23.52 H new ATOM 455 N PRO A 28 14.536 -9.924 -1.322 1.00 70.42 N ATOM 456 CA PRO A 28 15.539 -10.711 -2.100 1.00 2.44 C ATOM 457 C PRO A 28 16.741 -9.863 -2.490 1.00 10.52 C ATOM 458 O PRO A 28 17.842 -10.390 -2.679 1.00 73.22 O ATOM 459 CB PRO A 28 14.764 -11.144 -3.352 1.00 63.31 C ATOM 460 CG PRO A 28 13.330 -11.124 -2.937 1.00 53.01 C ATOM 461 CD PRO A 28 13.204 -9.958 -1.956 1.00 50.41 C ATOM 0 HA PRO A 28 15.942 -11.546 -1.526 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.945 -10.464 -4.184 1.00 63.31 H new ATOM 0 HB3 PRO A 28 15.067 -12.138 -3.681 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.675 -10.986 -3.797 1.00 53.01 H new ATOM 0 HG3 PRO A 28 13.045 -12.065 -2.467 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.974 -9.023 -2.466 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.412 -10.126 -1.226 1.00 50.41 H new ATOM 469 N ASP A 29 16.529 -8.552 -2.589 1.00 21.24 N ATOM 470 CA ASP A 29 17.592 -7.624 -2.953 1.00 42.34 C ATOM 471 C ASP A 29 18.466 -7.265 -1.760 1.00 22.22 C ATOM 472 O ASP A 29 19.491 -6.583 -1.914 1.00 73.13 O ATOM 473 CB ASP A 29 17.027 -6.362 -3.610 1.00 0.01 C ATOM 474 CG ASP A 29 15.901 -5.784 -2.788 1.00 62.22 C ATOM 475 OD1 ASP A 29 14.890 -6.435 -2.674 1.00 21.43 O ATOM 476 OD2 ASP A 29 16.045 -4.685 -2.304 1.00 43.24 O ATOM 0 H ASP A 29 15.626 -8.109 -2.421 1.00 21.24 H new ATOM 0 HA ASP A 29 18.223 -8.134 -3.681 1.00 42.34 H new ATOM 0 HB2 ASP A 29 17.818 -5.621 -3.722 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.667 -6.599 -4.611 1.00 0.01 H new ATOM 481 N MET A 30 18.139 -7.823 -0.600 1.00 31.25 N ATOM 482 CA MET A 30 18.989 -7.678 0.575 1.00 25.12 C ATOM 483 C MET A 30 20.168 -8.610 0.468 1.00 64.13 C ATOM 484 O MET A 30 20.172 -9.522 -0.359 1.00 62.13 O ATOM 485 CB MET A 30 18.228 -7.988 1.859 1.00 2.42 C ATOM 486 CG MET A 30 17.578 -6.723 2.407 1.00 11.34 C ATOM 487 SD MET A 30 16.459 -7.171 3.752 1.00 52.43 S ATOM 488 CE MET A 30 17.717 -7.832 4.880 1.00 61.23 C ATOM 0 H MET A 30 17.296 -8.377 -0.449 1.00 31.25 H new ATOM 0 HA MET A 30 19.326 -6.642 0.614 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.465 -8.742 1.665 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.908 -8.406 2.601 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.341 -6.033 2.767 1.00 11.34 H new ATOM 0 HG3 MET A 30 17.030 -6.209 1.617 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.272 -8.601 5.511 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.533 -8.265 4.301 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.103 -7.028 5.506 1.00 61.23 H new ATOM 498 N THR A 31 21.119 -8.450 1.360 1.00 12.23 N ATOM 499 CA THR A 31 22.250 -9.331 1.403 1.00 31.41 C ATOM 500 C THR A 31 22.402 -9.906 2.798 1.00 44.04 C ATOM 501 O THR A 31 21.818 -9.385 3.773 1.00 12.01 O ATOM 502 CB THR A 31 23.531 -8.604 0.934 1.00 25.42 C ATOM 503 OG1 THR A 31 24.561 -9.545 0.710 1.00 20.13 O ATOM 504 CG2 THR A 31 24.001 -7.593 1.981 1.00 40.23 C ATOM 0 H THR A 31 21.126 -7.713 2.065 1.00 12.23 H new ATOM 0 HA THR A 31 22.085 -10.159 0.714 1.00 31.41 H new ATOM 0 HB THR A 31 23.300 -8.074 0.010 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.170 -10.436 0.592 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.904 -7.095 1.627 1.00 40.23 H new ATOM 0 HG22 THR A 31 23.219 -6.852 2.148 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.215 -8.111 2.916 1.00 40.23 H new ATOM 512 N VAL A 32 23.162 -10.971 2.903 1.00 60.15 N ATOM 513 CA VAL A 32 23.360 -11.639 4.167 1.00 10.31 C ATOM 514 C VAL A 32 23.983 -10.665 5.158 1.00 54.12 C ATOM 515 O VAL A 32 23.529 -10.549 6.294 1.00 54.33 O ATOM 516 CB VAL A 32 24.241 -12.878 3.964 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.556 -13.543 5.305 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.522 -13.883 3.050 1.00 24.05 C ATOM 0 H VAL A 32 23.658 -11.396 2.119 1.00 60.15 H new ATOM 0 HA VAL A 32 22.404 -11.972 4.571 1.00 10.31 H new ATOM 0 HB VAL A 32 25.176 -12.564 3.501 1.00 44.23 H new ATOM 0 HG11 VAL A 32 25.182 -14.420 5.138 1.00 71.12 H new ATOM 0 HG12 VAL A 32 25.084 -12.837 5.946 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.627 -13.847 5.788 1.00 71.12 H new ATOM 0 HG21 VAL A 32 24.152 -14.761 2.909 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.579 -14.182 3.509 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.324 -13.419 2.084 1.00 24.05 H new ATOM 528 N ALA A 33 24.960 -9.907 4.701 1.00 53.45 N ATOM 529 CA ALA A 33 25.584 -8.894 5.540 1.00 55.04 C ATOM 530 C ALA A 33 24.514 -7.995 6.157 1.00 52.23 C ATOM 531 O ALA A 33 24.483 -7.805 7.375 1.00 54.14 O ATOM 532 CB ALA A 33 26.562 -8.045 4.713 1.00 50.32 C ATOM 0 H ALA A 33 25.341 -9.970 3.757 1.00 53.45 H new ATOM 0 HA ALA A 33 26.136 -9.393 6.336 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.021 -7.292 5.353 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.337 -8.687 4.295 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.022 -7.553 3.904 1.00 50.32 H new ATOM 538 N SER A 34 23.591 -7.499 5.333 1.00 20.42 N ATOM 539 CA SER A 34 22.507 -6.682 5.860 1.00 42.23 C ATOM 540 C SER A 34 21.623 -7.499 6.785 1.00 51.41 C ATOM 541 O SER A 34 21.220 -7.033 7.845 1.00 74.05 O ATOM 542 CB SER A 34 21.681 -6.052 4.727 1.00 22.13 C ATOM 543 OG SER A 34 21.479 -6.992 3.656 1.00 22.31 O ATOM 0 H SER A 34 23.573 -7.645 4.324 1.00 20.42 H new ATOM 0 HA SER A 34 22.949 -5.870 6.437 1.00 42.23 H new ATOM 0 HB2 SER A 34 20.717 -5.723 5.114 1.00 22.13 H new ATOM 0 HB3 SER A 34 22.192 -5.167 4.348 1.00 22.13 H new ATOM 0 HG SER A 34 21.247 -7.868 4.029 1.00 22.31 H new ATOM 549 N LEU A 35 21.373 -8.742 6.397 1.00 42.51 N ATOM 550 CA LEU A 35 20.558 -9.659 7.187 1.00 60.21 C ATOM 551 C LEU A 35 21.219 -9.904 8.526 1.00 12.50 C ATOM 552 O LEU A 35 20.563 -9.887 9.570 1.00 51.11 O ATOM 553 CB LEU A 35 20.406 -10.983 6.430 1.00 20.44 C ATOM 554 CG LEU A 35 19.539 -11.969 7.219 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.158 -11.366 7.459 1.00 4.13 C ATOM 556 CD2 LEU A 35 19.386 -13.253 6.412 1.00 72.44 C ATOM 0 H LEU A 35 21.727 -9.144 5.529 1.00 42.51 H new ATOM 0 HA LEU A 35 19.573 -9.222 7.352 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.957 -10.799 5.454 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.389 -11.419 6.252 1.00 20.44 H new ATOM 0 HG LEU A 35 20.014 -12.181 8.177 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.546 -12.071 8.021 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.259 -10.441 8.027 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.682 -11.154 6.502 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.770 -13.960 6.967 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.910 -13.028 5.457 1.00 72.44 H new ATOM 0 HD23 LEU A 35 20.369 -13.690 6.234 1.00 72.44 H new ATOM 568 N LYS A 36 22.524 -10.096 8.488 1.00 34.21 N ATOM 569 CA LYS A 36 23.304 -10.344 9.668 1.00 44.21 C ATOM 570 C LYS A 36 23.118 -9.182 10.628 1.00 31.00 C ATOM 571 O LYS A 36 22.930 -9.370 11.839 1.00 33.33 O ATOM 572 CB LYS A 36 24.775 -10.410 9.241 1.00 43.15 C ATOM 573 CG LYS A 36 25.671 -10.834 10.402 1.00 4.03 C ATOM 574 CD LYS A 36 27.105 -10.362 10.120 1.00 65.42 C ATOM 575 CE LYS A 36 27.675 -10.998 8.835 1.00 65.21 C ATOM 576 NZ LYS A 36 27.133 -12.373 8.648 1.00 35.45 N ATOM 0 H LYS A 36 23.069 -10.083 7.626 1.00 34.21 H new ATOM 0 HA LYS A 36 22.999 -11.271 10.153 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.885 -11.115 8.417 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.093 -9.435 8.871 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.309 -10.403 11.335 1.00 4.03 H new ATOM 0 HG3 LYS A 36 25.647 -11.917 10.521 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.118 -9.276 10.025 1.00 65.42 H new ATOM 0 HD3 LYS A 36 27.744 -10.616 10.966 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.421 -10.381 7.973 1.00 65.21 H new ATOM 0 HE3 LYS A 36 28.763 -11.034 8.892 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 27.098 -12.597 7.633 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 27.748 -13.057 9.133 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 26.174 -12.426 9.047 1.00 35.45 H new ATOM 590 N ASP A 37 23.192 -7.980 10.078 1.00 21.40 N ATOM 591 CA ASP A 37 23.060 -6.772 10.866 1.00 31.33 C ATOM 592 C ASP A 37 21.684 -6.647 11.519 1.00 3.04 C ATOM 593 O ASP A 37 21.594 -6.445 12.725 1.00 73.14 O ATOM 594 CB ASP A 37 23.385 -5.534 10.016 1.00 1.34 C ATOM 595 CG ASP A 37 23.239 -4.264 10.832 1.00 74.31 C ATOM 596 OD1 ASP A 37 23.895 -4.156 11.852 1.00 11.04 O ATOM 597 OD2 ASP A 37 22.500 -3.402 10.416 1.00 52.50 O ATOM 0 H ASP A 37 23.344 -7.818 9.082 1.00 21.40 H new ATOM 0 HA ASP A 37 23.784 -6.837 11.678 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.402 -5.609 9.631 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.720 -5.495 9.153 1.00 1.34 H new ATOM 602 N MET A 38 20.601 -6.821 10.745 1.00 34.44 N ATOM 603 CA MET A 38 19.261 -6.659 11.329 1.00 41.13 C ATOM 604 C MET A 38 19.095 -7.641 12.450 1.00 34.34 C ATOM 605 O MET A 38 18.593 -7.309 13.516 1.00 71.22 O ATOM 606 CB MET A 38 18.141 -6.924 10.327 1.00 41.21 C ATOM 607 CG MET A 38 18.595 -6.719 8.894 1.00 23.15 C ATOM 608 SD MET A 38 17.148 -6.895 7.817 1.00 32.15 S ATOM 609 CE MET A 38 16.721 -8.600 8.280 1.00 74.35 C ATOM 0 H MET A 38 20.621 -7.064 9.754 1.00 34.44 H new ATOM 0 HA MET A 38 19.188 -5.625 11.666 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.780 -7.945 10.450 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.302 -6.262 10.539 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.042 -5.732 8.773 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.359 -7.450 8.628 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.760 -9.237 7.397 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.432 -8.964 9.022 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.715 -8.622 8.699 1.00 74.35 H new ATOM 619 N VAL A 39 19.569 -8.837 12.219 1.00 14.41 N ATOM 620 CA VAL A 39 19.516 -9.867 13.225 1.00 25.32 C ATOM 621 C VAL A 39 20.287 -9.387 14.450 1.00 51.44 C ATOM 622 O VAL A 39 19.795 -9.472 15.580 1.00 21.33 O ATOM 623 CB VAL A 39 20.068 -11.188 12.667 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.149 -12.258 13.770 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.140 -11.680 11.544 1.00 65.31 C ATOM 0 H VAL A 39 19.998 -9.124 11.339 1.00 14.41 H new ATOM 0 HA VAL A 39 18.485 -10.061 13.520 1.00 25.32 H new ATOM 0 HB VAL A 39 21.073 -11.016 12.281 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.543 -13.184 13.351 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.808 -11.911 14.566 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.154 -12.438 14.176 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.523 -12.618 11.140 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.138 -11.839 11.943 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.101 -10.933 10.751 1.00 65.31 H new ATOM 635 N PHE A 40 21.431 -8.758 14.206 1.00 3.12 N ATOM 636 CA PHE A 40 22.171 -8.123 15.271 1.00 33.42 C ATOM 637 C PHE A 40 21.332 -7.028 15.906 1.00 2.10 C ATOM 638 O PHE A 40 21.245 -6.934 17.131 1.00 42.22 O ATOM 639 CB PHE A 40 23.500 -7.557 14.756 1.00 31.43 C ATOM 640 CG PHE A 40 24.222 -6.816 15.868 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.573 -7.483 17.046 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.548 -5.467 15.707 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.238 -6.801 18.063 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.222 -4.786 16.724 1.00 33.14 C ATOM 645 CZ PHE A 40 25.564 -5.450 17.905 1.00 34.32 C ATOM 0 H PHE A 40 21.858 -8.678 13.283 1.00 3.12 H new ATOM 0 HA PHE A 40 22.400 -8.874 16.027 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.127 -8.366 14.382 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.316 -6.883 13.920 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.328 -8.528 17.168 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.279 -4.951 14.797 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.502 -7.316 18.975 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.479 -3.745 16.597 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.079 -4.921 18.694 1.00 34.32 H new ATOM 655 N LEU A 41 20.710 -6.206 15.073 1.00 22.50 N ATOM 656 CA LEU A 41 19.892 -5.107 15.580 1.00 60.20 C ATOM 657 C LEU A 41 18.747 -5.673 16.381 1.00 62.30 C ATOM 658 O LEU A 41 18.355 -5.128 17.415 1.00 2.04 O ATOM 659 CB LEU A 41 19.232 -4.360 14.402 1.00 64.43 C ATOM 660 CG LEU A 41 20.274 -3.772 13.471 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.591 -3.091 12.281 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.140 -2.783 14.219 1.00 2.24 C ATOM 0 H LEU A 41 20.753 -6.275 14.056 1.00 22.50 H new ATOM 0 HA LEU A 41 20.531 -4.451 16.170 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.591 -5.045 13.847 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.593 -3.564 14.785 1.00 64.43 H new ATOM 0 HG LEU A 41 20.908 -4.575 13.096 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.348 -2.672 11.618 1.00 15.13 H new ATOM 0 HD12 LEU A 41 18.996 -3.823 11.735 1.00 15.13 H new ATOM 0 HD13 LEU A 41 18.942 -2.293 12.642 1.00 15.13 H new ATOM 0 HD21 LEU A 41 21.885 -2.366 13.541 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.518 -1.979 14.612 1.00 2.24 H new ATOM 0 HD23 LEU A 41 21.642 -3.290 15.043 1.00 2.24 H new ATOM 674 N ASP A 42 18.125 -6.676 15.803 1.00 3.40 N ATOM 675 CA ASP A 42 16.897 -7.246 16.347 1.00 20.53 C ATOM 676 C ASP A 42 17.139 -8.199 17.505 1.00 55.41 C ATOM 677 O ASP A 42 16.340 -8.250 18.449 1.00 3.34 O ATOM 678 CB ASP A 42 16.061 -7.933 15.250 1.00 22.22 C ATOM 679 CG ASP A 42 14.643 -8.143 15.735 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.138 -7.276 16.402 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.074 -9.165 15.433 1.00 75.41 O ATOM 0 H ASP A 42 18.449 -7.123 14.945 1.00 3.40 H new ATOM 0 HA ASP A 42 16.331 -6.404 16.745 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.059 -7.322 14.347 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.509 -8.891 14.986 1.00 22.22 H new ATOM 686 N TYR A 43 18.137 -9.060 17.365 1.00 32.23 N ATOM 687 CA TYR A 43 18.356 -10.112 18.354 1.00 3.43 C ATOM 688 C TYR A 43 19.635 -9.901 19.146 1.00 54.44 C ATOM 689 O TYR A 43 19.984 -10.724 19.988 1.00 52.22 O ATOM 690 CB TYR A 43 18.380 -11.483 17.671 1.00 12.45 C ATOM 691 CG TYR A 43 17.080 -11.687 16.940 1.00 32.24 C ATOM 692 CD1 TYR A 43 15.946 -12.141 17.623 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.007 -11.405 15.582 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.742 -12.307 16.933 1.00 60.33 C ATOM 695 CE2 TYR A 43 15.807 -11.569 14.899 1.00 50.22 C ATOM 696 CZ TYR A 43 14.675 -12.019 15.572 1.00 33.42 C ATOM 697 OH TYR A 43 13.491 -12.158 14.894 1.00 11.32 O ATOM 0 H TYR A 43 18.800 -9.055 16.590 1.00 32.23 H new ATOM 0 HA TYR A 43 17.526 -10.070 19.060 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.217 -11.543 16.975 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.524 -12.270 18.411 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.001 -12.362 18.679 1.00 32.13 H new ATOM 0 HD2 TYR A 43 17.884 -11.058 15.056 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.864 -12.658 17.455 1.00 60.33 H new ATOM 0 HE2 TYR A 43 15.753 -11.347 13.844 1.00 50.22 H new ATOM 0 HH TYR A 43 13.622 -11.914 13.954 1.00 11.32 H new ATOM 707 N GLY A 44 20.368 -8.833 18.852 1.00 13.32 N ATOM 708 CA GLY A 44 21.627 -8.590 19.541 1.00 51.52 C ATOM 709 C GLY A 44 22.585 -9.731 19.268 1.00 41.34 C ATOM 710 O GLY A 44 23.361 -10.125 20.133 1.00 41.15 O ATOM 0 H GLY A 44 20.117 -8.133 18.153 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.061 -7.649 19.204 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.454 -8.496 20.613 1.00 51.52 H new ATOM 714 N PHE A 45 22.463 -10.311 18.084 1.00 73.22 N ATOM 715 CA PHE A 45 23.289 -11.446 17.690 1.00 0.40 C ATOM 716 C PHE A 45 24.623 -10.949 17.161 1.00 12.32 C ATOM 717 O PHE A 45 24.682 -10.392 16.061 1.00 44.25 O ATOM 718 CB PHE A 45 22.579 -12.253 16.593 1.00 13.01 C ATOM 719 CG PHE A 45 21.538 -13.190 17.181 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.115 -13.055 18.517 1.00 31.22 C ATOM 721 CD2 PHE A 45 20.997 -14.200 16.381 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.153 -13.931 19.033 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.035 -15.073 16.900 1.00 74.25 C ATOM 724 CZ PHE A 45 19.615 -14.939 18.225 1.00 11.12 C ATOM 0 H PHE A 45 21.795 -10.013 17.373 1.00 73.22 H new ATOM 0 HA PHE A 45 23.454 -12.083 18.559 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.101 -11.571 15.889 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.313 -12.829 16.030 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.531 -12.278 19.141 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.323 -14.307 15.357 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.825 -13.829 20.057 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.618 -15.850 16.277 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.874 -15.614 18.627 1.00 11.12 H new ATOM 734 N PRO A 46 25.680 -11.078 17.925 1.00 33.44 N ATOM 735 CA PRO A 46 27.003 -10.533 17.531 1.00 1.25 C ATOM 736 C PRO A 46 27.461 -11.104 16.181 1.00 72.23 C ATOM 737 O PRO A 46 27.474 -12.329 15.982 1.00 63.41 O ATOM 738 CB PRO A 46 27.941 -10.954 18.672 1.00 45.41 C ATOM 739 CG PRO A 46 27.222 -12.057 19.385 1.00 3.22 C ATOM 740 CD PRO A 46 25.737 -11.756 19.234 1.00 61.54 C ATOM 0 HA PRO A 46 26.984 -9.452 17.393 1.00 1.25 H new ATOM 0 HB2 PRO A 46 28.902 -11.295 18.286 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.145 -10.119 19.342 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.469 -13.027 18.953 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.508 -12.094 20.436 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.135 -12.665 19.247 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.368 -11.118 20.038 1.00 61.54 H new ATOM 748 N PRO A 47 27.800 -10.253 15.247 1.00 24.43 N ATOM 749 CA PRO A 47 28.183 -10.685 13.871 1.00 3.35 C ATOM 750 C PRO A 47 29.376 -11.623 13.874 1.00 32.23 C ATOM 751 O PRO A 47 29.461 -12.527 13.049 1.00 60.40 O ATOM 752 CB PRO A 47 28.514 -9.368 13.151 1.00 22.12 C ATOM 753 CG PRO A 47 28.789 -8.389 14.246 1.00 61.03 C ATOM 754 CD PRO A 47 27.867 -8.786 15.392 1.00 72.21 C ATOM 0 HA PRO A 47 27.387 -11.249 13.384 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.378 -9.482 12.497 1.00 22.12 H new ATOM 0 HB3 PRO A 47 27.683 -9.039 12.527 1.00 22.12 H new ATOM 0 HG2 PRO A 47 29.834 -8.427 14.553 1.00 61.03 H new ATOM 0 HG3 PRO A 47 28.590 -7.369 13.918 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.271 -8.491 16.360 1.00 72.21 H new ATOM 0 HD3 PRO A 47 26.884 -8.323 15.303 1.00 72.21 H new ATOM 762 N VAL A 48 30.241 -11.465 14.852 1.00 2.22 N ATOM 763 CA VAL A 48 31.372 -12.361 14.996 1.00 3.34 C ATOM 764 C VAL A 48 30.891 -13.788 15.237 1.00 13.44 C ATOM 765 O VAL A 48 31.389 -14.742 14.631 1.00 24.32 O ATOM 766 CB VAL A 48 32.313 -11.875 16.135 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.498 -11.470 17.371 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.290 -12.991 16.533 1.00 41.53 C ATOM 0 H VAL A 48 30.185 -10.730 15.557 1.00 2.22 H new ATOM 0 HA VAL A 48 31.946 -12.355 14.070 1.00 3.34 H new ATOM 0 HB VAL A 48 32.869 -11.013 15.766 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.173 -11.133 18.157 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.815 -10.662 17.108 1.00 44.54 H new ATOM 0 HG13 VAL A 48 30.926 -12.327 17.727 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.942 -12.636 17.331 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.729 -13.858 16.881 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.893 -13.272 15.669 1.00 41.53 H new ATOM 778 N LEU A 49 29.912 -13.919 16.116 1.00 54.44 N ATOM 779 CA LEU A 49 29.360 -15.219 16.467 1.00 52.43 C ATOM 780 C LEU A 49 28.536 -15.807 15.349 1.00 2.01 C ATOM 781 O LEU A 49 28.441 -17.029 15.223 1.00 62.52 O ATOM 782 CB LEU A 49 28.491 -15.113 17.707 1.00 62.41 C ATOM 783 CG LEU A 49 29.369 -15.120 18.963 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.006 -13.740 19.165 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.511 -15.473 20.178 1.00 21.42 C ATOM 0 H LEU A 49 29.479 -13.135 16.604 1.00 54.44 H new ATOM 0 HA LEU A 49 30.208 -15.877 16.657 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.901 -14.197 17.671 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.787 -15.945 17.740 1.00 62.41 H new ATOM 0 HG LEU A 49 30.160 -15.861 18.845 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.628 -13.754 20.060 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.621 -13.493 18.299 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.223 -12.991 19.280 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.133 -15.479 21.073 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.719 -14.733 20.291 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.069 -16.459 20.037 1.00 21.42 H new ATOM 797 N GLN A 50 27.803 -14.952 14.649 1.00 62.55 N ATOM 798 CA GLN A 50 26.845 -15.423 13.660 1.00 24.52 C ATOM 799 C GLN A 50 27.527 -16.168 12.525 1.00 43.40 C ATOM 800 O GLN A 50 28.285 -15.571 11.761 1.00 65.42 O ATOM 801 CB GLN A 50 26.050 -14.254 13.044 1.00 53.50 C ATOM 802 CG GLN A 50 25.081 -13.605 14.041 1.00 42.03 C ATOM 803 CD GLN A 50 24.304 -12.507 13.308 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.798 -12.748 12.205 1.00 22.04 O ATOM 805 NE2 GLN A 50 24.183 -11.321 13.830 1.00 23.53 N ATOM 0 H GLN A 50 27.853 -13.938 14.746 1.00 62.55 H new ATOM 0 HA GLN A 50 26.172 -16.096 14.191 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.746 -13.500 12.678 1.00 53.50 H new ATOM 0 HB3 GLN A 50 25.489 -14.616 12.182 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.396 -14.350 14.445 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.629 -13.185 14.885 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.599 -11.119 14.739 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.672 -10.593 13.330 1.00 23.53 H new ATOM 814 N GLN A 51 27.062 -17.372 12.271 1.00 50.00 N ATOM 815 CA GLN A 51 27.378 -18.072 11.047 1.00 5.12 C ATOM 816 C GLN A 51 26.084 -18.437 10.353 1.00 24.14 C ATOM 817 O GLN A 51 25.241 -19.143 10.919 1.00 52.33 O ATOM 818 CB GLN A 51 28.241 -19.314 11.289 1.00 32.34 C ATOM 819 CG GLN A 51 29.672 -18.873 11.623 1.00 40.52 C ATOM 820 CD GLN A 51 30.600 -20.078 11.732 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.138 -21.275 11.543 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 31.795 -19.917 11.992 1.00 64.45 N flip ATOM 0 H GLN A 51 26.456 -17.891 12.906 1.00 50.00 H new ATOM 0 HA GLN A 51 27.971 -17.413 10.413 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.829 -19.905 12.107 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.240 -19.951 10.404 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.038 -18.196 10.851 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.677 -18.319 12.562 1.00 40.52 H new ATOM 0 HE21 GLN A 51 32.162 -18.977 12.141 1.00 64.45 H new ATOM 0 HE22 GLN A 51 32.416 -20.724 12.058 1.00 64.45 H new ATOM 831 N TRP A 52 25.900 -17.891 9.170 1.00 42.04 N ATOM 832 CA TRP A 52 24.684 -18.094 8.405 1.00 31.04 C ATOM 833 C TRP A 52 24.908 -19.171 7.366 1.00 72.42 C ATOM 834 O TRP A 52 25.863 -19.095 6.605 1.00 1.43 O ATOM 835 CB TRP A 52 24.314 -16.781 7.704 1.00 75.43 C ATOM 836 CG TRP A 52 23.708 -15.824 8.684 1.00 45.20 C ATOM 837 CD1 TRP A 52 24.387 -15.048 9.571 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.310 -15.529 8.864 1.00 51.21 C ATOM 839 NE1 TRP A 52 23.463 -14.297 10.293 1.00 11.32 N ATOM 840 CE2 TRP A 52 22.168 -14.561 9.882 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.156 -16.008 8.236 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.915 -14.094 10.264 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.897 -15.543 8.614 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.778 -14.586 9.629 1.00 64.43 C ATOM 0 H TRP A 52 26.587 -17.294 8.710 1.00 42.04 H new ATOM 0 HA TRP A 52 23.878 -18.401 9.072 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.202 -16.338 7.254 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.611 -16.978 6.895 1.00 75.43 H new ATOM 0 HD1 TRP A 52 25.460 -15.019 9.694 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.709 -13.637 11.030 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.241 -16.745 7.451 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.825 -13.356 11.047 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.013 -15.922 8.123 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.801 -14.228 9.920 1.00 64.43 H new ATOM 855 N VAL A 53 24.034 -20.161 7.323 1.00 64.50 N ATOM 856 CA VAL A 53 24.180 -21.234 6.353 1.00 13.22 C ATOM 857 C VAL A 53 22.894 -21.424 5.561 1.00 24.40 C ATOM 858 O VAL A 53 21.805 -21.544 6.132 1.00 52.11 O ATOM 859 CB VAL A 53 24.579 -22.543 7.057 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.816 -23.651 6.024 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.856 -22.322 7.874 1.00 70.32 C ATOM 0 H VAL A 53 23.226 -20.245 7.939 1.00 64.50 H new ATOM 0 HA VAL A 53 24.972 -20.960 5.656 1.00 13.22 H new ATOM 0 HB VAL A 53 23.769 -22.845 7.721 1.00 15.40 H new ATOM 0 HG11 VAL A 53 25.098 -24.571 6.536 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.902 -23.818 5.453 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.617 -23.352 5.347 1.00 70.32 H new ATOM 0 HG21 VAL A 53 26.135 -23.251 8.371 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.662 -22.008 7.211 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.680 -21.549 8.622 1.00 70.32 H new ATOM 871 N ILE A 54 23.038 -21.505 4.250 1.00 31.32 N ATOM 872 CA ILE A 54 21.929 -21.776 3.353 1.00 2.42 C ATOM 873 C ILE A 54 22.294 -22.966 2.475 1.00 55.44 C ATOM 874 O ILE A 54 23.382 -23.013 1.917 1.00 64.42 O ATOM 875 CB ILE A 54 21.629 -20.528 2.496 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.207 -19.373 3.417 1.00 70.55 C ATOM 877 CG2 ILE A 54 20.486 -20.817 1.518 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.129 -18.070 2.615 1.00 33.44 C ATOM 0 H ILE A 54 23.933 -21.384 3.775 1.00 31.32 H new ATOM 0 HA ILE A 54 21.031 -22.014 3.923 1.00 2.42 H new ATOM 0 HB ILE A 54 22.525 -20.262 1.936 1.00 61.22 H new ATOM 0 HG12 ILE A 54 20.239 -19.591 3.868 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.922 -19.266 4.232 1.00 70.55 H new ATOM 0 HG21 ILE A 54 20.285 -19.928 0.920 1.00 73.52 H new ATOM 0 HG22 ILE A 54 20.768 -21.640 0.861 1.00 73.52 H new ATOM 0 HG23 ILE A 54 19.590 -21.089 2.076 1.00 73.52 H new ATOM 0 HD11 ILE A 54 20.829 -17.255 3.274 1.00 33.44 H new ATOM 0 HD12 ILE A 54 22.106 -17.849 2.185 1.00 33.44 H new ATOM 0 HD13 ILE A 54 20.396 -18.178 1.815 1.00 33.44 H new ATOM 991 N ASP A 61 28.398 -13.324 3.124 1.00 5.24 N ATOM 992 CA ASP A 61 27.689 -12.193 3.699 1.00 62.30 C ATOM 993 C ASP A 61 27.236 -11.210 2.632 1.00 23.25 C ATOM 994 O ASP A 61 26.190 -10.579 2.773 1.00 41.02 O ATOM 995 CB ASP A 61 28.614 -11.476 4.699 1.00 4.03 C ATOM 996 CG ASP A 61 28.562 -12.172 6.054 1.00 13.24 C ATOM 997 OD1 ASP A 61 27.580 -12.831 6.345 1.00 33.05 O ATOM 998 OD2 ASP A 61 29.503 -12.031 6.796 1.00 24.14 O ATOM 0 HA ASP A 61 26.799 -12.569 4.203 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.637 -11.473 4.322 1.00 4.03 H new ATOM 0 HB3 ASP A 61 28.310 -10.435 4.805 1.00 4.03 H new ATOM 1003 N GLN A 62 28.095 -10.966 1.678 1.00 12.52 N ATOM 1004 CA GLN A 62 27.894 -9.901 0.704 1.00 34.33 C ATOM 1005 C GLN A 62 26.917 -10.252 -0.414 1.00 44.45 C ATOM 1006 O GLN A 62 26.556 -9.377 -1.206 1.00 1.43 O ATOM 1007 CB GLN A 62 29.233 -9.510 0.101 1.00 0.02 C ATOM 1008 CG GLN A 62 30.216 -9.196 1.227 1.00 25.23 C ATOM 1009 CD GLN A 62 31.196 -10.340 1.368 1.00 11.12 C ATOM 1010 OE1 GLN A 62 30.801 -11.439 1.756 1.00 1.45 O ATOM 1011 NE2 GLN A 62 32.442 -10.167 1.065 1.00 15.21 N ATOM 0 H GLN A 62 28.957 -11.495 1.546 1.00 12.52 H new ATOM 0 HA GLN A 62 27.447 -9.070 1.249 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.617 -10.320 -0.518 1.00 0.02 H new ATOM 0 HB3 GLN A 62 29.114 -8.642 -0.547 1.00 0.02 H new ATOM 0 HG2 GLN A 62 30.749 -8.270 1.012 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.678 -9.045 2.163 1.00 25.23 H new ATOM 0 HE21 GLN A 62 32.767 -9.255 0.744 1.00 15.21 H new ATOM 0 HE22 GLN A 62 33.099 -10.943 1.147 1.00 15.21 H new ATOM 1020 N GLU A 63 26.553 -11.523 -0.555 1.00 4.31 N ATOM 1021 CA GLU A 63 25.689 -11.922 -1.671 1.00 63.23 C ATOM 1022 C GLU A 63 24.214 -11.609 -1.393 1.00 22.23 C ATOM 1023 O GLU A 63 23.765 -11.634 -0.240 1.00 10.12 O ATOM 1024 CB GLU A 63 25.889 -13.399 -2.041 1.00 4.24 C ATOM 1025 CG GLU A 63 27.304 -13.586 -2.617 1.00 13.54 C ATOM 1026 CD GLU A 63 27.518 -15.022 -3.035 1.00 55.25 C ATOM 1027 OE1 GLU A 63 27.912 -15.809 -2.208 1.00 33.23 O ATOM 1028 OE2 GLU A 63 27.262 -15.329 -4.175 1.00 51.42 O ATOM 0 H GLU A 63 26.832 -12.280 0.069 1.00 4.31 H new ATOM 0 HA GLU A 63 25.987 -11.325 -2.533 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.755 -14.029 -1.161 1.00 4.24 H new ATOM 0 HB3 GLU A 63 25.142 -13.708 -2.772 1.00 4.24 H new ATOM 0 HG2 GLU A 63 27.445 -12.927 -3.473 1.00 13.54 H new ATOM 0 HG3 GLU A 63 28.047 -13.303 -1.871 1.00 13.54 H new ATOM 1035 N THR A 64 23.486 -11.241 -2.441 1.00 35.12 N ATOM 1036 CA THR A 64 22.085 -10.855 -2.327 1.00 71.14 C ATOM 1037 C THR A 64 21.242 -12.060 -1.899 1.00 54.02 C ATOM 1038 O THR A 64 21.538 -13.196 -2.280 1.00 2.04 O ATOM 1039 CB THR A 64 21.604 -10.331 -3.691 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.658 -9.597 -4.314 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.397 -9.407 -3.517 1.00 70.13 C ATOM 0 H THR A 64 23.850 -11.202 -3.393 1.00 35.12 H new ATOM 0 HA THR A 64 21.977 -10.074 -1.574 1.00 71.14 H new ATOM 0 HB THR A 64 21.317 -11.182 -4.308 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.355 -9.264 -5.184 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.071 -9.046 -4.493 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.584 -9.956 -3.043 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.675 -8.559 -2.891 1.00 70.13 H new ATOM 1049 N LEU A 65 20.174 -11.812 -1.146 1.00 11.25 N ATOM 1050 CA LEU A 65 19.315 -12.898 -0.685 1.00 22.02 C ATOM 1051 C LEU A 65 18.718 -13.607 -1.883 1.00 11.33 C ATOM 1052 O LEU A 65 18.665 -14.831 -1.928 1.00 62.22 O ATOM 1053 CB LEU A 65 18.173 -12.376 0.203 1.00 34.52 C ATOM 1054 CG LEU A 65 18.719 -11.775 1.506 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.558 -11.236 2.349 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.495 -12.822 2.310 1.00 30.03 C ATOM 0 H LEU A 65 19.885 -10.881 -0.845 1.00 11.25 H new ATOM 0 HA LEU A 65 19.925 -13.583 -0.096 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.603 -11.621 -0.339 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.486 -13.190 0.434 1.00 34.52 H new ATOM 0 HG LEU A 65 19.400 -10.963 1.252 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.947 -10.810 3.274 1.00 43.21 H new ATOM 0 HD12 LEU A 65 17.029 -10.465 1.789 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.872 -12.049 2.585 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.871 -12.370 3.228 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.835 -13.653 2.558 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.333 -13.189 1.717 1.00 30.03 H new ATOM 1068 N HIS A 66 18.322 -12.827 -2.878 1.00 73.23 N ATOM 1069 CA HIS A 66 17.766 -13.373 -4.119 1.00 34.14 C ATOM 1070 C HIS A 66 18.568 -14.593 -4.561 1.00 10.32 C ATOM 1071 O HIS A 66 17.997 -15.603 -5.003 1.00 1.13 O ATOM 1072 CB HIS A 66 17.800 -12.302 -5.220 1.00 25.42 C ATOM 1073 CG HIS A 66 17.051 -12.780 -6.438 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.628 -12.796 -7.698 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.771 -13.245 -6.606 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.699 -13.253 -8.561 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.550 -13.539 -7.947 1.00 53.54 N ATOM 0 H HIS A 66 18.374 -11.809 -2.855 1.00 73.23 H new ATOM 0 HA HIS A 66 16.733 -13.674 -3.941 1.00 34.14 H new ATOM 0 HB2 HIS A 66 17.356 -11.377 -4.851 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.833 -12.076 -5.485 1.00 25.42 H new ATOM 0 HD2 HIS A 66 15.045 -13.365 -5.816 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.865 -13.373 -9.621 1.00 44.55 H new ATOM 0 HE2 HIS A 66 14.693 -13.896 -8.370 1.00 53.54 H new ATOM 1086 N SER A 67 19.884 -14.512 -4.400 1.00 14.51 N ATOM 1087 CA SER A 67 20.774 -15.596 -4.777 1.00 21.22 C ATOM 1088 C SER A 67 20.369 -16.914 -4.108 1.00 5.04 C ATOM 1089 O SER A 67 20.689 -17.992 -4.607 1.00 31.30 O ATOM 1090 CB SER A 67 22.222 -15.227 -4.427 1.00 53.23 C ATOM 1091 OG SER A 67 23.108 -16.273 -4.834 1.00 52.30 O ATOM 0 H SER A 67 20.358 -13.699 -4.007 1.00 14.51 H new ATOM 0 HA SER A 67 20.697 -15.744 -5.854 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.497 -14.295 -4.920 1.00 53.23 H new ATOM 0 HB3 SER A 67 22.314 -15.059 -3.354 1.00 53.23 H new ATOM 0 HG SER A 67 24.029 -16.028 -4.608 1.00 52.30 H new ATOM 1097 N HIS A 68 19.617 -16.827 -3.018 1.00 71.23 N ATOM 1098 CA HIS A 68 19.114 -18.020 -2.349 1.00 44.15 C ATOM 1099 C HIS A 68 17.991 -18.662 -3.174 1.00 51.40 C ATOM 1100 O HIS A 68 17.545 -19.768 -2.880 1.00 71.43 O ATOM 1101 CB HIS A 68 18.657 -17.690 -0.903 1.00 24.14 C ATOM 1102 CG HIS A 68 17.732 -18.762 -0.363 1.00 33.13 C ATOM 1103 ND1 HIS A 68 17.881 -20.124 -0.224 1.00 40.22 N flip ATOM 1104 CD2 HIS A 68 16.465 -18.473 0.119 1.00 74.41 C flip ATOM 1105 CE1 HIS A 68 16.727 -20.671 0.328 1.00 31.20 C flip ATOM 1106 NE2 HIS A 68 15.908 -19.635 0.516 1.00 62.11 N flip ATOM 0 H HIS A 68 19.343 -15.947 -2.580 1.00 71.23 H new ATOM 0 HA HIS A 68 19.922 -18.747 -2.272 1.00 44.15 H new ATOM 0 HB2 HIS A 68 19.529 -17.598 -0.255 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.148 -16.726 -0.891 1.00 24.14 H new ATOM 0 HD1 HIS A 68 18.713 -20.653 -0.486 1.00 40.22 H new ATOM 0 HD2 HIS A 68 16.008 -17.496 0.168 1.00 74.41 H new ATOM 0 HE1 HIS A 68 16.536 -21.709 0.555 1.00 31.20 H new ATOM 1115 N GLY A 69 17.540 -17.961 -4.208 1.00 24.31 N ATOM 1116 CA GLY A 69 16.447 -18.455 -5.050 1.00 1.43 C ATOM 1117 C GLY A 69 15.127 -18.017 -4.471 1.00 24.22 C ATOM 1118 O GLY A 69 14.059 -18.499 -4.864 1.00 54.34 O ATOM 0 H GLY A 69 17.910 -17.052 -4.486 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.555 -18.073 -6.065 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.485 -19.543 -5.113 1.00 1.43 H new ATOM 1122 N VAL A 70 15.208 -17.075 -3.550 1.00 14.11 N ATOM 1123 CA VAL A 70 14.043 -16.525 -2.906 1.00 2.23 C ATOM 1124 C VAL A 70 13.531 -15.336 -3.704 1.00 63.41 C ATOM 1125 O VAL A 70 14.244 -14.351 -3.906 1.00 21.42 O ATOM 1126 CB VAL A 70 14.391 -16.108 -1.462 1.00 22.03 C ATOM 1127 CG1 VAL A 70 15.797 -15.502 -1.408 1.00 73.22 C ATOM 1128 CG2 VAL A 70 13.389 -15.076 -0.953 1.00 4.51 C ATOM 0 H VAL A 70 16.089 -16.672 -3.231 1.00 14.11 H new ATOM 0 HA VAL A 70 13.257 -17.280 -2.866 1.00 2.23 H new ATOM 0 HB VAL A 70 14.352 -16.997 -0.833 1.00 22.03 H new ATOM 0 HG11 VAL A 70 16.029 -15.212 -0.383 1.00 73.22 H new ATOM 0 HG12 VAL A 70 16.524 -16.238 -1.751 1.00 73.22 H new ATOM 0 HG13 VAL A 70 15.840 -14.624 -2.052 1.00 73.22 H new ATOM 0 HG21 VAL A 70 13.647 -14.791 0.067 1.00 4.51 H new ATOM 0 HG22 VAL A 70 13.417 -14.195 -1.594 1.00 4.51 H new ATOM 0 HG23 VAL A 70 12.387 -15.504 -0.968 1.00 4.51 H new ATOM 1138 N ARG A 71 12.310 -15.457 -4.188 1.00 60.24 N ATOM 1139 CA ARG A 71 11.693 -14.409 -4.987 1.00 5.14 C ATOM 1140 C ARG A 71 10.607 -13.707 -4.187 1.00 73.44 C ATOM 1141 O ARG A 71 10.233 -12.574 -4.486 1.00 42.30 O ATOM 1142 CB ARG A 71 11.127 -14.987 -6.297 1.00 72.31 C ATOM 1143 CG ARG A 71 10.754 -16.468 -6.112 1.00 42.42 C ATOM 1144 CD ARG A 71 10.387 -17.080 -7.467 1.00 13.23 C ATOM 1145 NE ARG A 71 11.567 -17.100 -8.339 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.485 -18.079 -8.294 1.00 42.14 C ATOM 1147 NH1 ARG A 71 12.333 -19.089 -7.469 1.00 15.55 N ATOM 1148 NH2 ARG A 71 13.520 -18.024 -9.077 1.00 31.11 N ATOM 0 H ARG A 71 11.720 -16.276 -4.042 1.00 60.24 H new ATOM 0 HA ARG A 71 12.455 -13.674 -5.247 1.00 5.14 H new ATOM 0 HB2 ARG A 71 10.248 -14.419 -6.603 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.864 -14.888 -7.094 1.00 72.31 H new ATOM 0 HG2 ARG A 71 11.590 -17.011 -5.671 1.00 42.42 H new ATOM 0 HG3 ARG A 71 9.915 -16.558 -5.422 1.00 42.42 H new ATOM 0 HD2 ARG A 71 10.009 -18.093 -7.328 1.00 13.23 H new ATOM 0 HD3 ARG A 71 9.589 -16.502 -7.933 1.00 13.23 H new ATOM 0 HE ARG A 71 11.695 -16.339 -9.006 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.516 -19.132 -6.860 1.00 15.55 H new ATOM 0 HH12 ARG A 71 13.032 -19.831 -7.437 1.00 15.55 H new ATOM 0 HH21 ARG A 71 13.631 -17.241 -9.721 1.00 31.11 H new ATOM 0 HH22 ARG A 71 14.221 -18.764 -9.048 1.00 31.11 H new ATOM 1162 N GLN A 72 10.129 -14.391 -3.150 1.00 22.33 N ATOM 1163 CA GLN A 72 9.098 -13.882 -2.259 1.00 11.22 C ATOM 1164 C GLN A 72 9.141 -14.664 -0.957 1.00 63.41 C ATOM 1165 O GLN A 72 9.857 -15.649 -0.871 1.00 54.20 O ATOM 1166 CB GLN A 72 7.723 -14.023 -2.913 1.00 72.22 C ATOM 1167 CG GLN A 72 7.486 -15.490 -3.287 1.00 11.44 C ATOM 1168 CD GLN A 72 6.403 -15.585 -4.342 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.296 -16.029 -4.060 1.00 55.53 O ATOM 1170 NE2 GLN A 72 6.650 -15.182 -5.541 1.00 55.43 N ATOM 0 H GLN A 72 10.453 -15.326 -2.905 1.00 22.33 H new ATOM 0 HA GLN A 72 9.277 -12.826 -2.057 1.00 11.22 H new ATOM 0 HB2 GLN A 72 6.946 -13.680 -2.230 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.665 -13.395 -3.802 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.409 -15.933 -3.660 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.195 -16.057 -2.403 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.571 -14.813 -5.775 1.00 55.43 H new ATOM 0 HE22 GLN A 72 5.924 -15.232 -6.256 1.00 55.43 H new ATOM 1179 N ASN A 73 8.373 -14.231 0.039 1.00 71.53 N ATOM 1180 CA ASN A 73 8.353 -14.911 1.343 1.00 20.42 C ATOM 1181 C ASN A 73 8.114 -16.409 1.187 1.00 52.02 C ATOM 1182 O ASN A 73 7.638 -16.867 0.146 1.00 44.32 O ATOM 1183 CB ASN A 73 7.289 -14.304 2.275 1.00 43.42 C ATOM 1184 CG ASN A 73 5.895 -14.837 1.945 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.305 -15.560 2.751 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.322 -14.511 0.829 1.00 55.51 N ATOM 0 H ASN A 73 7.759 -13.419 -0.025 1.00 71.53 H new ATOM 0 HA ASN A 73 9.334 -14.763 1.794 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.534 -14.537 3.311 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.297 -13.218 2.182 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.384 -14.852 0.618 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.809 -13.913 0.161 1.00 55.51 H new ATOM 1193 N GLY A 74 8.443 -17.159 2.224 1.00 42.33 N ATOM 1194 CA GLY A 74 8.301 -18.614 2.201 1.00 72.21 C ATOM 1195 C GLY A 74 9.666 -19.288 2.274 1.00 53.51 C ATOM 1196 O GLY A 74 9.766 -20.521 2.377 1.00 53.41 O ATOM 0 H GLY A 74 8.813 -16.787 3.099 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.684 -18.938 3.039 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.787 -18.920 1.290 1.00 72.21 H new ATOM 1200 N ASP A 75 10.712 -18.481 2.214 1.00 74.32 N ATOM 1201 CA ASP A 75 12.078 -18.976 2.316 1.00 40.23 C ATOM 1202 C ASP A 75 12.466 -19.181 3.774 1.00 33.23 C ATOM 1203 O ASP A 75 11.740 -18.785 4.684 1.00 22.31 O ATOM 1204 CB ASP A 75 13.062 -18.005 1.636 1.00 54.44 C ATOM 1205 CG ASP A 75 12.643 -16.559 1.882 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.531 -16.213 1.500 1.00 41.44 O ATOM 1207 OD2 ASP A 75 13.429 -15.825 2.429 1.00 43.04 O ATOM 0 H ASP A 75 10.641 -17.471 2.094 1.00 74.32 H new ATOM 0 HA ASP A 75 12.129 -19.936 1.803 1.00 40.23 H new ATOM 0 HB2 ASP A 75 14.068 -18.169 2.022 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.095 -18.203 0.565 1.00 54.44 H new ATOM 1212 N SER A 76 13.590 -19.844 3.998 1.00 54.11 N ATOM 1213 CA SER A 76 14.056 -20.128 5.351 1.00 54.23 C ATOM 1214 C SER A 76 15.581 -20.282 5.360 1.00 1.51 C ATOM 1215 O SER A 76 16.173 -20.679 4.340 1.00 74.44 O ATOM 1216 CB SER A 76 13.390 -21.407 5.858 1.00 52.41 C ATOM 1217 OG SER A 76 12.081 -21.498 5.291 1.00 21.32 O ATOM 0 H SER A 76 14.199 -20.197 3.260 1.00 54.11 H new ATOM 0 HA SER A 76 13.789 -19.301 6.008 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.984 -22.278 5.580 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.330 -21.396 6.946 1.00 52.41 H new ATOM 0 HG SER A 76 11.523 -20.772 5.639 1.00 21.32 H new ATOM 1223 N ALA A 77 16.225 -19.950 6.482 1.00 33.13 N ATOM 1224 CA ALA A 77 17.694 -20.022 6.574 1.00 74.42 C ATOM 1225 C ALA A 77 18.169 -20.700 7.865 1.00 71.15 C ATOM 1226 O ALA A 77 17.391 -20.881 8.818 1.00 14.41 O ATOM 1227 CB ALA A 77 18.310 -18.625 6.472 1.00 5.24 C ATOM 0 H ALA A 77 15.763 -19.631 7.333 1.00 33.13 H new ATOM 0 HA ALA A 77 18.029 -20.633 5.736 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.395 -18.700 6.542 1.00 5.24 H new ATOM 0 HB2 ALA A 77 18.038 -18.176 5.517 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.936 -18.002 7.285 1.00 5.24 H new ATOM 1233 N TYR A 78 19.462 -21.047 7.898 1.00 12.02 N ATOM 1234 CA TYR A 78 20.072 -21.694 9.060 1.00 11.21 C ATOM 1235 C TYR A 78 21.151 -20.780 9.644 1.00 11.53 C ATOM 1236 O TYR A 78 22.075 -20.365 8.932 1.00 70.42 O ATOM 1237 CB TYR A 78 20.712 -23.023 8.626 1.00 33.45 C ATOM 1238 CG TYR A 78 20.647 -24.040 9.745 1.00 43.33 C ATOM 1239 CD1 TYR A 78 21.667 -24.124 10.700 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.569 -24.922 9.800 1.00 61.00 C ATOM 1241 CE1 TYR A 78 21.590 -25.094 11.708 1.00 41.13 C ATOM 1242 CE2 TYR A 78 19.493 -25.877 10.806 1.00 1.34 C ATOM 1243 CZ TYR A 78 20.501 -25.970 11.761 1.00 43.02 C ATOM 1244 OH TYR A 78 20.425 -26.935 12.747 1.00 40.42 O ATOM 0 H TYR A 78 20.108 -20.888 7.125 1.00 12.02 H new ATOM 0 HA TYR A 78 19.308 -21.884 9.814 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.197 -23.410 7.746 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.750 -22.856 8.340 1.00 33.45 H new ATOM 0 HD1 TYR A 78 22.507 -23.446 10.660 1.00 21.22 H new ATOM 0 HD2 TYR A 78 18.788 -24.863 9.056 1.00 61.00 H new ATOM 0 HE1 TYR A 78 22.374 -25.166 12.447 1.00 41.13 H new ATOM 0 HE2 TYR A 78 18.649 -26.549 10.847 1.00 1.34 H new ATOM 0 HH TYR A 78 21.274 -26.972 13.235 1.00 40.42 H new ATOM 1254 N LEU A 79 21.044 -20.476 10.925 1.00 25.24 N ATOM 1255 CA LEU A 79 22.017 -19.623 11.599 1.00 53.21 C ATOM 1256 C LEU A 79 22.681 -20.369 12.744 1.00 53.55 C ATOM 1257 O LEU A 79 22.004 -20.992 13.568 1.00 62.25 O ATOM 1258 CB LEU A 79 21.347 -18.333 12.106 1.00 53.33 C ATOM 1259 CG LEU A 79 22.338 -17.497 12.945 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.485 -16.999 12.064 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.607 -16.289 13.544 1.00 71.21 C ATOM 0 H LEU A 79 20.289 -20.808 11.526 1.00 25.24 H new ATOM 0 HA LEU A 79 22.788 -19.347 10.879 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.993 -17.745 11.260 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.474 -18.583 12.708 1.00 53.33 H new ATOM 0 HG LEU A 79 22.741 -18.122 13.742 1.00 44.43 H new ATOM 0 HD11 LEU A 79 24.177 -16.411 12.666 1.00 75.51 H new ATOM 0 HD12 LEU A 79 24.011 -17.852 11.635 1.00 75.51 H new ATOM 0 HD13 LEU A 79 23.085 -16.379 11.262 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.306 -15.698 14.136 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.202 -15.674 12.741 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.793 -16.635 14.181 1.00 71.21 H new ATOM 1273 N TYR A 80 23.996 -20.290 12.804 1.00 5.12 N ATOM 1274 CA TYR A 80 24.762 -20.925 13.865 1.00 41.02 C ATOM 1275 C TYR A 80 25.588 -19.885 14.590 1.00 42.44 C ATOM 1276 O TYR A 80 26.188 -19.015 13.954 1.00 55.24 O ATOM 1277 CB TYR A 80 25.663 -22.019 13.277 1.00 20.13 C ATOM 1278 CG TYR A 80 26.588 -22.588 14.337 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.070 -23.328 15.407 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.965 -22.378 14.240 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.931 -23.859 16.372 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.825 -22.909 15.201 1.00 4.45 C ATOM 1283 CZ TYR A 80 28.311 -23.649 16.268 1.00 1.20 C ATOM 1284 OH TYR A 80 29.169 -24.177 17.214 1.00 2.11 O ATOM 0 H TYR A 80 24.564 -19.786 12.123 1.00 5.12 H new ATOM 0 HA TYR A 80 24.079 -21.387 14.578 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.048 -22.816 12.860 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.252 -21.608 12.457 1.00 20.13 H new ATOM 0 HD1 TYR A 80 25.005 -23.489 15.487 1.00 60.13 H new ATOM 0 HD2 TYR A 80 28.365 -21.803 13.418 1.00 32.42 H new ATOM 0 HE1 TYR A 80 26.532 -24.431 17.197 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.890 -22.748 15.120 1.00 4.45 H new ATOM 0 HH TYR A 80 30.092 -23.937 16.989 1.00 2.11 H new ATOM 1294 N LEU A 81 25.579 -19.928 15.908 1.00 0.03 N ATOM 1295 CA LEU A 81 26.322 -18.952 16.695 1.00 31.14 C ATOM 1296 C LEU A 81 27.566 -19.578 17.290 1.00 52.43 C ATOM 1297 O LEU A 81 27.504 -20.619 17.953 1.00 25.33 O ATOM 1298 CB LEU A 81 25.443 -18.355 17.804 1.00 11.44 C ATOM 1299 CG LEU A 81 24.208 -17.688 17.183 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.286 -17.181 18.293 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.634 -16.505 16.305 1.00 62.13 C ATOM 0 H LEU A 81 25.071 -20.621 16.457 1.00 0.03 H new ATOM 0 HA LEU A 81 26.625 -18.145 16.027 1.00 31.14 H new ATOM 0 HB2 LEU A 81 25.135 -19.137 18.498 1.00 11.44 H new ATOM 0 HB3 LEU A 81 26.012 -17.625 18.379 1.00 11.44 H new ATOM 0 HG LEU A 81 23.682 -18.421 16.571 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.410 -16.708 17.850 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.971 -18.019 18.915 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.820 -16.455 18.906 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.750 -16.039 15.869 1.00 62.13 H new ATOM 0 HD22 LEU A 81 25.167 -15.774 16.913 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.287 -16.860 15.508 1.00 62.13 H new ATOM 1313 N LEU A 82 28.686 -18.944 17.037 1.00 41.20 N ATOM 1314 CA LEU A 82 29.988 -19.417 17.504 1.00 33.24 C ATOM 1315 C LEU A 82 30.171 -19.144 18.986 1.00 52.35 C ATOM 1316 O LEU A 82 29.501 -18.284 19.552 1.00 61.23 O ATOM 1317 CB LEU A 82 31.112 -18.760 16.700 1.00 34.41 C ATOM 1318 CG LEU A 82 31.404 -19.566 15.414 1.00 5.31 C ATOM 1319 CD1 LEU A 82 32.293 -20.764 15.732 1.00 4.22 C ATOM 1320 CD2 LEU A 82 30.097 -20.049 14.769 1.00 74.54 C ATOM 0 H LEU A 82 28.731 -18.079 16.499 1.00 41.20 H new ATOM 0 HA LEU A 82 30.029 -20.496 17.352 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.832 -17.739 16.440 1.00 34.41 H new ATOM 0 HB3 LEU A 82 32.014 -18.698 17.309 1.00 34.41 H new ATOM 0 HG LEU A 82 31.921 -18.912 14.712 1.00 5.31 H new ATOM 0 HD11 LEU A 82 32.491 -21.323 14.818 1.00 4.22 H new ATOM 0 HD12 LEU A 82 33.235 -20.416 16.156 1.00 4.22 H new ATOM 0 HD13 LEU A 82 31.789 -21.410 16.451 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.324 -20.614 13.865 1.00 74.54 H new ATOM 0 HD22 LEU A 82 29.559 -20.687 15.470 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.478 -19.189 14.513 1.00 74.54 H new