USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 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 53 GLN : amide:sc= 2.07 K(o=3.3,f=1.4) USER MOD Set 1.2: A 73 THR OG1 : rot 79:sc= 1.27 USER MOD Set 2.1: A 43 SER OG : rot -67:sc= 0.356 USER MOD Set 2.2: A 46 GLN : amide:sc= 0.329 K(o=0.68,f=-0.53) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.0274 X(o=-0.027,f=0.37) USER MOD Set 3.2: A 35 HIS : no HD1:sc= 0 X(o=-0.027,f=0.37) USER MOD Single : A 7 THR OG1 : rot -20:sc= 0.315 USER MOD Single : A 8 GLN : amide:sc= 0.717 K(o=0.72,f=-0.36) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.91! C(o=-1.9!,f=-4.6!) USER MOD Single : A 17 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.027) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.000644 K(o=-0.00064,f=-1.2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 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 42 SER OG : rot 97:sc= 0.897 USER MOD Single : A 44 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.025) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.22) USER MOD Single : A 56 MET CE :methyl -177:sc= -1.69 (180deg=-1.93) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc=-0.00459 (180deg=-0.179) USER MOD Single : A 65 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.1) USER MOD Single : A 70 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.64) USER MOD Single : A 72 GLN : amide:sc= -0.358 K(o=-0.36,f=-1) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 -11.752 -0.820 -13.328 1.00 31.41 N ATOM 83 CA THR A 7 -12.266 -1.676 -14.379 1.00 35.31 C ATOM 84 C THR A 7 -13.279 -2.679 -13.836 1.00 31.42 C ATOM 85 O THR A 7 -13.311 -2.947 -12.634 1.00 72.04 O ATOM 86 CB THR A 7 -11.119 -2.432 -15.076 1.00 54.51 C ATOM 87 OG1 THR A 7 -10.198 -2.929 -14.094 1.00 5.41 O ATOM 88 CG2 THR A 7 -10.388 -1.526 -16.053 1.00 10.33 C ATOM 0 HA THR A 7 -12.767 -1.033 -15.103 1.00 35.31 H new ATOM 0 HB THR A 7 -11.545 -3.267 -15.633 1.00 54.51 H new ATOM 0 HG1 THR A 7 -10.304 -2.424 -13.261 1.00 5.41 H new ATOM 0 HG21 THR A 7 -9.583 -2.082 -16.532 1.00 10.33 H new ATOM 0 HG22 THR A 7 -11.086 -1.171 -16.812 1.00 10.33 H new ATOM 0 HG23 THR A 7 -9.971 -0.674 -15.517 1.00 10.33 H new ATOM 96 N GLN A 8 -14.113 -3.203 -14.733 1.00 3.23 N ATOM 97 CA GLN A 8 -15.065 -4.267 -14.408 1.00 50.02 C ATOM 98 C GLN A 8 -16.155 -3.785 -13.455 1.00 1.14 C ATOM 99 O GLN A 8 -16.801 -4.587 -12.777 1.00 72.35 O ATOM 100 CB GLN A 8 -14.340 -5.483 -13.823 1.00 43.14 C ATOM 101 CG GLN A 8 -13.371 -6.123 -14.799 1.00 33.25 C ATOM 102 CD GLN A 8 -12.692 -7.350 -14.236 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.458 -7.455 -13.032 1.00 54.41 O ATOM 104 NE2 GLN A 8 -12.379 -8.292 -15.110 1.00 54.35 N ATOM 0 H GLN A 8 -14.149 -2.902 -15.707 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.550 -4.562 -15.338 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -13.797 -5.179 -12.928 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.077 -6.224 -13.513 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.906 -6.396 -15.708 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -12.613 -5.393 -15.082 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -12.592 -8.161 -16.099 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -11.924 -9.149 -14.795 1.00 54.35 H new ATOM 113 N SER A 9 -16.390 -2.481 -13.437 1.00 52.14 N ATOM 114 CA SER A 9 -17.441 -1.915 -12.608 1.00 2.52 C ATOM 115 C SER A 9 -18.811 -2.380 -13.099 1.00 0.31 C ATOM 116 O SER A 9 -19.734 -2.574 -12.310 1.00 54.11 O ATOM 117 CB SER A 9 -17.354 -0.391 -12.625 1.00 33.54 C ATOM 118 OG SER A 9 -16.038 0.038 -12.316 1.00 75.12 O ATOM 0 H SER A 9 -15.868 -1.798 -13.986 1.00 52.14 H new ATOM 0 HA SER A 9 -17.309 -2.261 -11.583 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.643 -0.016 -13.607 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.057 0.027 -11.904 1.00 33.54 H new ATOM 0 HG SER A 9 -16.001 1.017 -12.333 1.00 75.12 H new ATOM 124 N GLN A 10 -18.925 -2.587 -14.409 1.00 65.43 N ATOM 125 CA GLN A 10 -20.160 -3.083 -14.998 1.00 50.30 C ATOM 126 C GLN A 10 -20.347 -4.555 -14.654 1.00 24.22 C ATOM 127 O GLN A 10 -21.471 -5.045 -14.580 1.00 13.03 O ATOM 128 CB GLN A 10 -20.173 -2.883 -16.525 1.00 3.51 C ATOM 129 CG GLN A 10 -19.258 -3.823 -17.310 1.00 31.21 C ATOM 130 CD GLN A 10 -17.779 -3.592 -17.049 1.00 30.13 C ATOM 131 OE1 GLN A 10 -17.357 -2.477 -16.749 1.00 43.14 O ATOM 132 NE2 GLN A 10 -16.984 -4.643 -17.155 1.00 21.05 N ATOM 0 H GLN A 10 -18.176 -2.418 -15.080 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.989 -2.510 -14.581 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -21.194 -3.011 -16.884 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -19.885 -1.855 -16.744 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.506 -4.854 -17.056 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.454 -3.701 -18.375 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -17.372 -5.552 -17.406 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -15.983 -4.544 -16.986 1.00 21.05 H new ATOM 141 N LEU A 11 -19.236 -5.252 -14.429 1.00 1.21 N ATOM 142 CA LEU A 11 -19.273 -6.659 -14.052 1.00 12.41 C ATOM 143 C LEU A 11 -19.783 -6.775 -12.621 1.00 54.11 C ATOM 144 O LEU A 11 -20.654 -7.593 -12.323 1.00 71.13 O ATOM 145 CB LEU A 11 -17.872 -7.284 -14.195 1.00 53.43 C ATOM 146 CG LEU A 11 -17.804 -8.818 -14.157 1.00 4.24 C ATOM 147 CD1 LEU A 11 -16.498 -9.301 -14.770 1.00 55.21 C ATOM 148 CD2 LEU A 11 -17.924 -9.337 -12.730 1.00 61.15 C ATOM 0 H LEU A 11 -18.296 -4.862 -14.502 1.00 1.21 H new ATOM 0 HA LEU A 11 -19.948 -7.203 -14.713 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.441 -6.946 -15.137 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.240 -6.894 -13.397 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.641 -9.206 -14.737 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -16.461 -10.390 -14.737 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -16.437 -8.967 -15.806 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -15.659 -8.893 -14.207 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -17.873 -10.426 -12.733 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.108 -8.937 -12.128 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -18.877 -9.020 -12.306 1.00 61.15 H new ATOM 160 N GLU A 12 -19.234 -5.933 -11.748 1.00 14.13 N ATOM 161 CA GLU A 12 -19.669 -5.860 -10.359 1.00 13.33 C ATOM 162 C GLU A 12 -21.162 -5.533 -10.312 1.00 23.45 C ATOM 163 O GLU A 12 -21.954 -6.262 -9.713 1.00 35.24 O ATOM 164 CB GLU A 12 -18.861 -4.777 -9.625 1.00 72.23 C ATOM 165 CG GLU A 12 -18.682 -5.011 -8.133 1.00 2.41 C ATOM 166 CD GLU A 12 -19.981 -5.007 -7.358 1.00 74.31 C ATOM 167 OE1 GLU A 12 -20.717 -4.004 -7.426 1.00 23.41 O ATOM 168 OE2 GLU A 12 -20.255 -6.000 -6.653 1.00 33.12 O ATOM 0 H GLU A 12 -18.480 -5.287 -11.983 1.00 14.13 H new ATOM 0 HA GLU A 12 -19.501 -6.818 -9.868 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -17.876 -4.704 -10.087 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.354 -3.816 -9.770 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.181 -5.967 -7.981 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.026 -4.240 -7.729 1.00 2.41 H new ATOM 175 N LEU A 13 -21.533 -4.448 -10.989 1.00 24.43 N ATOM 176 CA LEU A 13 -22.920 -4.001 -11.055 1.00 1.43 C ATOM 177 C LEU A 13 -23.829 -5.098 -11.608 1.00 31.21 C ATOM 178 O LEU A 13 -24.938 -5.298 -11.113 1.00 4.34 O ATOM 179 CB LEU A 13 -23.016 -2.727 -11.912 1.00 73.45 C ATOM 180 CG LEU A 13 -24.429 -2.175 -12.150 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.386 -0.662 -12.294 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.047 -2.793 -13.397 1.00 50.21 C ATOM 0 H LEU A 13 -20.882 -3.857 -11.505 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.260 -3.774 -10.044 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.420 -1.948 -11.436 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.560 -2.931 -12.881 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.045 -2.436 -11.289 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.394 -0.284 -12.462 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.980 -0.221 -11.383 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.752 -0.395 -13.140 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.048 -2.388 -13.546 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.428 -2.560 -14.263 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.108 -3.874 -13.275 1.00 50.21 H new ATOM 194 N LEU A 14 -23.355 -5.806 -12.626 1.00 72.01 N ATOM 195 CA LEU A 14 -24.137 -6.860 -13.262 1.00 3.52 C ATOM 196 C LEU A 14 -24.563 -7.909 -12.242 1.00 71.02 C ATOM 197 O LEU A 14 -25.744 -8.239 -12.137 1.00 70.32 O ATOM 198 CB LEU A 14 -23.329 -7.517 -14.382 1.00 33.20 C ATOM 199 CG LEU A 14 -24.020 -8.679 -15.097 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.265 -8.199 -15.830 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.060 -9.356 -16.062 1.00 11.21 C ATOM 0 H LEU A 14 -22.429 -5.669 -13.030 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.033 -6.409 -13.688 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.079 -6.756 -15.121 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.389 -7.877 -13.965 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.327 -9.407 -14.347 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.740 -9.042 -16.331 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -25.962 -7.762 -15.115 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.985 -7.448 -16.569 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -23.568 -10.181 -16.562 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -22.722 -8.634 -16.805 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -22.201 -9.740 -15.512 1.00 11.21 H new ATOM 213 N ILE A 15 -23.605 -8.407 -11.471 1.00 13.25 N ATOM 214 CA ILE A 15 -23.894 -9.424 -10.468 1.00 24.23 C ATOM 215 C ILE A 15 -24.683 -8.818 -9.310 1.00 61.32 C ATOM 216 O ILE A 15 -25.601 -9.440 -8.778 1.00 75.31 O ATOM 217 CB ILE A 15 -22.601 -10.080 -9.931 1.00 33.14 C ATOM 218 CG1 ILE A 15 -21.746 -10.610 -11.088 1.00 70.34 C ATOM 219 CG2 ILE A 15 -22.929 -11.211 -8.960 1.00 52.02 C ATOM 220 CD1 ILE A 15 -22.436 -11.664 -11.933 1.00 63.52 C ATOM 0 H ILE A 15 -22.626 -8.125 -11.520 1.00 13.25 H new ATOM 0 HA ILE A 15 -24.492 -10.198 -10.950 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.034 -9.319 -9.396 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -21.462 -9.775 -11.728 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -20.825 -11.029 -10.683 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.004 -11.657 -8.595 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -23.497 -10.815 -8.118 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -23.521 -11.970 -9.472 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.766 -11.988 -12.730 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -22.696 -12.518 -11.308 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -23.342 -11.244 -12.369 1.00 63.52 H new ATOM 232 N ARG A 16 -24.337 -7.586 -8.952 1.00 32.24 N ATOM 233 CA ARG A 16 -24.982 -6.883 -7.849 1.00 15.30 C ATOM 234 C ARG A 16 -26.458 -6.622 -8.152 1.00 74.23 C ATOM 235 O ARG A 16 -27.300 -6.651 -7.259 1.00 15.23 O ATOM 236 CB ARG A 16 -24.268 -5.554 -7.592 1.00 23.14 C ATOM 237 CG ARG A 16 -24.157 -5.191 -6.122 1.00 71.35 C ATOM 238 CD ARG A 16 -23.228 -6.151 -5.403 1.00 63.11 C ATOM 239 NE ARG A 16 -23.069 -5.831 -3.987 1.00 73.55 N ATOM 240 CZ ARG A 16 -21.948 -5.337 -3.460 1.00 72.42 C ATOM 241 NH1 ARG A 16 -20.903 -5.075 -4.232 1.00 4.32 N ATOM 242 NH2 ARG A 16 -21.860 -5.108 -2.157 1.00 75.13 N ATOM 0 H ARG A 16 -23.605 -7.049 -9.416 1.00 32.24 H new ATOM 0 HA ARG A 16 -24.918 -7.512 -6.961 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.267 -5.601 -8.021 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.801 -4.759 -8.113 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.784 -4.172 -6.021 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -25.144 -5.217 -5.660 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -23.615 -7.165 -5.500 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -22.251 -6.135 -5.886 1.00 63.11 H new ATOM 0 HE ARG A 16 -23.861 -5.995 -3.365 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -20.953 -5.251 -5.235 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -20.049 -4.697 -3.823 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -22.654 -5.310 -1.549 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -20.999 -4.730 -1.763 1.00 75.13 H new ATOM 256 N ASN A 17 -26.758 -6.352 -9.417 1.00 21.01 N ATOM 257 CA ASN A 17 -28.129 -6.081 -9.837 1.00 71.44 C ATOM 258 C ASN A 17 -28.887 -7.377 -10.097 1.00 24.13 C ATOM 259 O ASN A 17 -30.094 -7.455 -9.862 1.00 64.41 O ATOM 260 CB ASN A 17 -28.161 -5.195 -11.091 1.00 22.11 C ATOM 261 CG ASN A 17 -27.828 -3.736 -10.809 1.00 54.33 C ATOM 262 OD1 ASN A 17 -28.336 -2.834 -11.474 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.971 -3.491 -9.829 1.00 64.22 N ATOM 0 H ASN A 17 -26.071 -6.315 -10.170 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.619 -5.547 -9.023 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.454 -5.587 -11.822 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.151 -5.253 -11.543 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -26.713 -2.530 -9.605 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.569 -4.264 -9.298 1.00 64.22 H new ATOM 270 N ALA A 18 -28.175 -8.391 -10.588 1.00 24.13 N ATOM 271 CA ALA A 18 -28.775 -9.697 -10.845 1.00 52.44 C ATOM 272 C ALA A 18 -29.115 -10.397 -9.534 1.00 63.32 C ATOM 273 O ALA A 18 -30.186 -10.987 -9.394 1.00 53.11 O ATOM 274 CB ALA A 18 -27.844 -10.566 -11.681 1.00 44.34 C ATOM 0 H ALA A 18 -27.182 -8.332 -10.815 1.00 24.13 H new ATOM 0 HA ALA A 18 -29.696 -9.541 -11.407 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -28.312 -11.534 -11.860 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -27.648 -10.076 -12.635 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -26.905 -10.711 -11.148 1.00 44.34 H new ATOM 280 N PHE A 19 -28.200 -10.326 -8.575 1.00 32.44 N ATOM 281 CA PHE A 19 -28.422 -10.914 -7.263 1.00 64.45 C ATOM 282 C PHE A 19 -28.162 -9.883 -6.169 1.00 11.13 C ATOM 283 O PHE A 19 -27.089 -9.855 -5.569 1.00 74.13 O ATOM 284 CB PHE A 19 -27.526 -12.142 -7.056 1.00 5.30 C ATOM 285 CG PHE A 19 -27.771 -13.240 -8.048 1.00 32.32 C ATOM 286 CD1 PHE A 19 -28.859 -14.085 -7.909 1.00 44.11 C ATOM 287 CD2 PHE A 19 -26.915 -13.424 -9.122 1.00 21.44 C ATOM 288 CE1 PHE A 19 -29.089 -15.096 -8.822 1.00 53.12 C ATOM 289 CE2 PHE A 19 -27.140 -14.432 -10.038 1.00 21.41 C ATOM 290 CZ PHE A 19 -28.229 -15.271 -9.889 1.00 4.25 C ATOM 0 H PHE A 19 -27.296 -9.866 -8.683 1.00 32.44 H new ATOM 0 HA PHE A 19 -29.462 -11.235 -7.206 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -26.482 -11.834 -7.118 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -27.684 -12.531 -6.050 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -29.535 -13.952 -7.078 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.063 -12.772 -9.244 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -29.941 -15.749 -8.702 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -26.466 -14.565 -10.871 1.00 21.41 H new ATOM 0 HZ PHE A 19 -28.407 -16.060 -10.604 1.00 4.25 H new ATOM 300 N PRO A 20 -29.140 -9.002 -5.908 1.00 74.32 N ATOM 301 CA PRO A 20 -29.004 -7.959 -4.889 1.00 62.04 C ATOM 302 C PRO A 20 -29.163 -8.518 -3.480 1.00 53.13 C ATOM 303 O PRO A 20 -28.879 -7.844 -2.489 1.00 3.14 O ATOM 304 CB PRO A 20 -30.141 -6.993 -5.226 1.00 73.25 C ATOM 305 CG PRO A 20 -31.181 -7.847 -5.867 1.00 43.34 C ATOM 306 CD PRO A 20 -30.445 -8.944 -6.593 1.00 54.10 C ATOM 0 HA PRO A 20 -28.020 -7.491 -4.898 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.525 -6.505 -4.330 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.805 -6.204 -5.899 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.857 -8.262 -5.120 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.789 -7.264 -6.559 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -30.975 -9.894 -6.526 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -30.331 -8.716 -7.653 1.00 54.10 H new ATOM 314 N GLU A 21 -29.611 -9.763 -3.405 1.00 43.25 N ATOM 315 CA GLU A 21 -29.803 -10.444 -2.135 1.00 14.45 C ATOM 316 C GLU A 21 -28.614 -11.362 -1.864 1.00 61.52 C ATOM 317 O GLU A 21 -28.746 -12.405 -1.217 1.00 44.12 O ATOM 318 CB GLU A 21 -31.098 -11.257 -2.172 1.00 73.54 C ATOM 319 CG GLU A 21 -32.328 -10.437 -2.537 1.00 25.00 C ATOM 320 CD GLU A 21 -32.657 -9.370 -1.511 1.00 21.25 C ATOM 321 OE1 GLU A 21 -33.387 -9.671 -0.544 1.00 31.02 O ATOM 322 OE2 GLU A 21 -32.205 -8.218 -1.673 1.00 2.14 O ATOM 0 H GLU A 21 -29.851 -10.327 -4.220 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.874 -9.706 -1.336 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.987 -12.068 -2.892 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -31.256 -11.717 -1.196 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.168 -9.964 -3.506 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -33.183 -11.104 -2.646 1.00 25.00 H new ATOM 329 N ALA A 22 -27.453 -10.964 -2.365 1.00 13.31 N ATOM 330 CA ALA A 22 -26.247 -11.760 -2.230 1.00 45.34 C ATOM 331 C ALA A 22 -25.050 -10.888 -1.884 1.00 74.40 C ATOM 332 O ALA A 22 -25.042 -9.687 -2.157 1.00 53.45 O ATOM 333 CB ALA A 22 -25.981 -12.518 -3.522 1.00 43.43 C ATOM 0 H ALA A 22 -27.323 -10.088 -2.871 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.396 -12.470 -1.416 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.074 -13.114 -3.414 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.823 -13.175 -3.738 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.854 -11.809 -4.340 1.00 43.43 H new ATOM 339 N GLU A 23 -24.051 -11.497 -1.268 1.00 31.23 N ATOM 340 CA GLU A 23 -22.787 -10.829 -1.011 1.00 5.24 C ATOM 341 C GLU A 23 -21.805 -11.142 -2.127 1.00 11.04 C ATOM 342 O GLU A 23 -21.211 -12.218 -2.163 1.00 5.32 O ATOM 343 CB GLU A 23 -22.214 -11.250 0.344 1.00 2.23 C ATOM 344 CG GLU A 23 -22.527 -10.272 1.464 1.00 32.11 C ATOM 345 CD GLU A 23 -21.671 -9.020 1.402 1.00 53.32 C ATOM 346 OE1 GLU A 23 -21.788 -8.256 0.421 1.00 74.04 O ATOM 347 OE2 GLU A 23 -20.867 -8.798 2.335 1.00 2.10 O ATOM 0 H GLU A 23 -24.092 -12.460 -0.935 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.959 -9.753 -0.981 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.609 -12.231 0.608 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.133 -11.355 0.256 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -23.579 -9.991 1.413 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.375 -10.764 2.424 1.00 32.11 H new ATOM 354 N ILE A 24 -21.681 -10.213 -3.061 1.00 13.41 N ATOM 355 CA ILE A 24 -20.774 -10.369 -4.182 1.00 74.24 C ATOM 356 C ILE A 24 -19.386 -9.846 -3.821 1.00 61.32 C ATOM 357 O ILE A 24 -19.216 -8.668 -3.508 1.00 75.31 O ATOM 358 CB ILE A 24 -21.298 -9.625 -5.435 1.00 14.12 C ATOM 359 CG1 ILE A 24 -22.580 -10.278 -5.952 1.00 72.34 C ATOM 360 CG2 ILE A 24 -20.249 -9.601 -6.536 1.00 42.15 C ATOM 361 CD1 ILE A 24 -23.821 -9.942 -5.159 1.00 33.11 C ATOM 0 H ILE A 24 -22.203 -9.337 -3.062 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.712 -11.433 -4.411 1.00 74.24 H new ATOM 0 HB ILE A 24 -21.516 -8.598 -5.144 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.734 -9.976 -6.988 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.447 -11.360 -5.952 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -20.644 -9.072 -7.404 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -19.355 -9.091 -6.176 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.995 -10.623 -6.818 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -24.681 -10.448 -5.597 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -23.694 -10.270 -4.127 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -23.985 -8.865 -5.179 1.00 33.11 H new ATOM 373 N THR A 25 -18.411 -10.737 -3.833 1.00 14.02 N ATOM 374 CA THR A 25 -17.030 -10.371 -3.565 1.00 54.43 C ATOM 375 C THR A 25 -16.168 -10.659 -4.790 1.00 60.33 C ATOM 376 O THR A 25 -16.117 -11.794 -5.265 1.00 24.53 O ATOM 377 CB THR A 25 -16.482 -11.156 -2.356 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.385 -11.029 -1.250 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.106 -10.644 -1.951 1.00 30.53 C ATOM 0 H THR A 25 -18.551 -11.728 -4.027 1.00 14.02 H new ATOM 0 HA THR A 25 -16.997 -9.306 -3.337 1.00 54.43 H new ATOM 0 HB THR A 25 -16.390 -12.204 -2.641 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.036 -11.530 -0.483 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.743 -11.215 -1.096 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.414 -10.760 -2.785 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.175 -9.590 -1.681 1.00 30.53 H new ATOM 387 N VAL A 26 -15.512 -9.630 -5.311 1.00 74.44 N ATOM 388 CA VAL A 26 -14.665 -9.782 -6.486 1.00 13.43 C ATOM 389 C VAL A 26 -13.197 -9.855 -6.078 1.00 70.34 C ATOM 390 O VAL A 26 -12.606 -8.859 -5.662 1.00 52.34 O ATOM 391 CB VAL A 26 -14.864 -8.624 -7.486 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.047 -8.861 -8.747 1.00 41.35 C ATOM 393 CG2 VAL A 26 -16.338 -8.456 -7.824 1.00 35.24 C ATOM 0 H VAL A 26 -15.550 -8.681 -4.938 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.955 -10.711 -6.977 1.00 13.43 H new ATOM 0 HB VAL A 26 -14.514 -7.703 -7.020 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.200 -8.034 -9.440 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -12.990 -8.927 -8.489 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -14.365 -9.792 -9.217 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -16.458 -7.635 -8.530 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -16.716 -9.376 -8.270 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -16.897 -8.237 -6.914 1.00 35.24 H new ATOM 403 N THR A 27 -12.624 -11.043 -6.180 1.00 53.51 N ATOM 404 CA THR A 27 -11.242 -11.266 -5.785 1.00 3.34 C ATOM 405 C THR A 27 -10.332 -11.316 -7.012 1.00 43.20 C ATOM 406 O THR A 27 -10.690 -11.908 -8.032 1.00 52.12 O ATOM 407 CB THR A 27 -11.122 -12.582 -4.991 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.130 -12.615 -3.973 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.746 -12.722 -4.351 1.00 63.14 C ATOM 0 H THR A 27 -13.098 -11.873 -6.535 1.00 53.51 H new ATOM 0 HA THR A 27 -10.928 -10.436 -5.152 1.00 3.34 H new ATOM 0 HB THR A 27 -11.259 -13.413 -5.683 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.057 -13.451 -3.468 1.00 55.14 H new ATOM 0 HG21 THR A 27 -9.695 -13.660 -3.799 1.00 63.14 H new ATOM 0 HG22 THR A 27 -8.981 -12.716 -5.128 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.576 -11.890 -3.668 1.00 63.14 H new ATOM 417 N SER A 28 -9.166 -10.692 -6.915 1.00 23.54 N ATOM 418 CA SER A 28 -8.211 -10.674 -8.013 1.00 22.03 C ATOM 419 C SER A 28 -7.204 -11.813 -7.858 1.00 14.30 C ATOM 420 O SER A 28 -6.539 -11.928 -6.826 1.00 32.51 O ATOM 421 CB SER A 28 -7.491 -9.325 -8.055 1.00 23.21 C ATOM 422 OG SER A 28 -8.423 -8.250 -8.062 1.00 51.11 O ATOM 0 H SER A 28 -8.858 -10.189 -6.082 1.00 23.54 H new ATOM 0 HA SER A 28 -8.747 -10.815 -8.951 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.831 -9.234 -7.192 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.862 -9.272 -8.944 1.00 23.21 H new ATOM 0 HG SER A 28 -7.939 -7.398 -8.087 1.00 51.11 H new ATOM 428 N LEU A 29 -7.107 -12.662 -8.875 1.00 60.25 N ATOM 429 CA LEU A 29 -6.207 -13.809 -8.833 1.00 24.55 C ATOM 430 C LEU A 29 -5.083 -13.659 -9.847 1.00 12.10 C ATOM 431 O LEU A 29 -5.321 -13.613 -11.054 1.00 65.12 O ATOM 432 CB LEU A 29 -6.962 -15.121 -9.097 1.00 52.33 C ATOM 433 CG LEU A 29 -7.824 -15.650 -7.946 1.00 2.03 C ATOM 434 CD1 LEU A 29 -9.022 -14.748 -7.687 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.277 -17.070 -8.247 1.00 60.32 C ATOM 0 H LEU A 29 -7.641 -12.578 -9.740 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.780 -13.845 -7.831 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -7.603 -14.978 -9.967 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -6.234 -15.888 -9.360 1.00 52.33 H new ATOM 0 HG LEU A 29 -7.217 -15.655 -7.041 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.611 -15.153 -6.864 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.675 -13.748 -7.427 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -9.639 -14.696 -8.584 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.889 -17.439 -7.424 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -8.862 -17.078 -9.167 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.405 -17.713 -8.367 1.00 60.32 H new ATOM 447 N VAL A 30 -3.858 -13.573 -9.349 1.00 4.40 N ATOM 448 CA VAL A 30 -2.688 -13.511 -10.211 1.00 1.44 C ATOM 449 C VAL A 30 -2.006 -14.877 -10.283 1.00 64.14 C ATOM 450 O VAL A 30 -1.238 -15.258 -9.397 1.00 15.34 O ATOM 451 CB VAL A 30 -1.683 -12.429 -9.745 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.198 -11.045 -10.108 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.430 -12.521 -8.244 1.00 30.41 C ATOM 0 H VAL A 30 -3.649 -13.545 -8.351 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.030 -13.231 -11.207 1.00 1.44 H new ATOM 0 HB VAL A 30 -0.737 -12.603 -10.257 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.483 -10.292 -9.776 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -2.323 -10.975 -11.189 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -3.158 -10.874 -9.620 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.720 -11.749 -7.947 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -2.368 -12.378 -7.707 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -1.020 -13.502 -8.004 1.00 30.41 H new ATOM 463 N GLY A 31 -2.310 -15.623 -11.333 1.00 42.32 N ATOM 464 CA GLY A 31 -1.768 -16.958 -11.474 1.00 63.24 C ATOM 465 C GLY A 31 -1.407 -17.268 -12.907 1.00 24.53 C ATOM 466 O GLY A 31 -1.016 -16.371 -13.651 1.00 24.33 O ATOM 0 H GLY A 31 -2.924 -15.327 -12.092 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -0.883 -17.059 -10.846 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -2.497 -17.686 -11.117 1.00 63.24 H new ATOM 470 N ASP A 32 -1.534 -18.532 -13.291 1.00 54.21 N ATOM 471 CA ASP A 32 -1.256 -18.949 -14.663 1.00 24.22 C ATOM 472 C ASP A 32 -2.117 -18.172 -15.648 1.00 21.34 C ATOM 473 O ASP A 32 -1.613 -17.594 -16.611 1.00 50.54 O ATOM 474 CB ASP A 32 -1.500 -20.446 -14.831 1.00 33.31 C ATOM 475 CG ASP A 32 -1.309 -20.895 -16.264 1.00 63.05 C ATOM 476 OD1 ASP A 32 -0.197 -20.716 -16.807 1.00 1.50 O ATOM 477 OD2 ASP A 32 -2.265 -21.437 -16.851 1.00 71.24 O ATOM 0 H ASP A 32 -1.828 -19.288 -12.672 1.00 54.21 H new ATOM 0 HA ASP A 32 -0.207 -18.737 -14.871 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.819 -20.999 -14.184 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -2.513 -20.687 -14.508 1.00 33.31 H new ATOM 482 N ASN A 33 -3.415 -18.163 -15.406 1.00 11.01 N ATOM 483 CA ASN A 33 -4.320 -17.338 -16.186 1.00 33.31 C ATOM 484 C ASN A 33 -4.977 -16.320 -15.267 1.00 73.15 C ATOM 485 O ASN A 33 -5.464 -16.663 -14.187 1.00 35.41 O ATOM 486 CB ASN A 33 -5.371 -18.183 -16.924 1.00 23.21 C ATOM 487 CG ASN A 33 -6.381 -18.849 -16.005 1.00 63.34 C ATOM 488 OD1 ASN A 33 -7.429 -18.279 -15.699 1.00 61.15 O ATOM 489 ND2 ASN A 33 -6.082 -20.065 -15.576 1.00 30.04 N ATOM 0 H ASN A 33 -3.866 -18.716 -14.677 1.00 11.01 H new ATOM 0 HA ASN A 33 -3.748 -16.817 -16.954 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -5.903 -17.547 -17.632 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -4.862 -18.951 -17.506 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -6.731 -20.565 -14.968 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -5.203 -20.502 -15.853 1.00 30.04 H new ATOM 496 N ASN A 34 -4.965 -15.067 -15.677 1.00 61.41 N ATOM 497 CA ASN A 34 -5.471 -14.001 -14.831 1.00 4.13 C ATOM 498 C ASN A 34 -6.980 -13.880 -14.947 1.00 1.44 C ATOM 499 O ASN A 34 -7.510 -13.295 -15.893 1.00 40.12 O ATOM 500 CB ASN A 34 -4.795 -12.671 -15.162 1.00 53.13 C ATOM 501 CG ASN A 34 -3.321 -12.675 -14.806 1.00 60.20 C ATOM 502 OD1 ASN A 34 -2.890 -13.380 -13.891 1.00 22.32 O ATOM 503 ND2 ASN A 34 -2.536 -11.884 -15.519 1.00 24.41 N ATOM 0 H ASN A 34 -4.613 -14.762 -16.584 1.00 61.41 H new ATOM 0 HA ASN A 34 -5.232 -14.255 -13.799 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.910 -12.461 -16.225 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -5.295 -11.867 -14.623 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -1.537 -11.843 -15.319 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -2.930 -11.315 -16.268 1.00 24.41 H new ATOM 510 N HIS A 35 -7.668 -14.480 -13.994 1.00 11.54 N ATOM 511 CA HIS A 35 -9.111 -14.374 -13.907 1.00 21.41 C ATOM 512 C HIS A 35 -9.504 -13.926 -12.513 1.00 54.15 C ATOM 513 O HIS A 35 -8.759 -14.126 -11.556 1.00 54.44 O ATOM 514 CB HIS A 35 -9.788 -15.705 -14.249 1.00 25.33 C ATOM 515 CG HIS A 35 -10.071 -15.876 -15.712 1.00 13.33 C ATOM 516 ND1 HIS A 35 -11.340 -16.063 -16.216 1.00 35.21 N ATOM 517 CD2 HIS A 35 -9.241 -15.880 -16.782 1.00 50.13 C ATOM 518 CE1 HIS A 35 -11.278 -16.168 -17.529 1.00 24.43 C ATOM 519 NE2 HIS A 35 -10.016 -16.059 -17.902 1.00 23.03 N ATOM 0 H HIS A 35 -7.245 -15.051 -13.263 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.447 -13.635 -14.634 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -9.152 -16.524 -13.912 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.724 -15.780 -13.695 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -8.168 -15.764 -16.759 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -12.119 -16.318 -18.189 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -9.674 -16.101 -18.862 1.00 23.03 H new ATOM 528 N TYR A 36 -10.665 -13.314 -12.399 1.00 43.33 N ATOM 529 CA TYR A 36 -11.126 -12.799 -11.123 1.00 71.31 C ATOM 530 C TYR A 36 -12.190 -13.723 -10.557 1.00 40.50 C ATOM 531 O TYR A 36 -13.016 -14.249 -11.303 1.00 24.43 O ATOM 532 CB TYR A 36 -11.671 -11.380 -11.296 1.00 22.12 C ATOM 533 CG TYR A 36 -10.680 -10.433 -11.941 1.00 15.02 C ATOM 534 CD1 TYR A 36 -10.554 -10.374 -13.322 1.00 43.30 C ATOM 535 CD2 TYR A 36 -9.872 -9.604 -11.173 1.00 41.21 C ATOM 536 CE1 TYR A 36 -9.653 -9.518 -13.921 1.00 62.54 C ATOM 537 CE2 TYR A 36 -8.966 -8.742 -11.766 1.00 62.32 C ATOM 538 CZ TYR A 36 -8.862 -8.705 -13.142 1.00 1.54 C ATOM 539 OH TYR A 36 -7.970 -7.849 -13.745 1.00 12.31 O ATOM 0 H TYR A 36 -11.309 -13.160 -13.175 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.291 -12.759 -10.423 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.576 -11.417 -11.903 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.957 -10.987 -10.321 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -11.172 -11.010 -13.939 1.00 43.30 H new ATOM 0 HD2 TYR A 36 -9.952 -9.633 -10.096 1.00 41.21 H new ATOM 0 HE1 TYR A 36 -9.569 -9.486 -14.997 1.00 62.54 H new ATOM 0 HE2 TYR A 36 -8.345 -8.103 -11.156 1.00 62.32 H new ATOM 0 HH TYR A 36 -7.487 -7.343 -13.059 1.00 12.31 H new ATOM 549 N SER A 37 -12.157 -13.939 -9.255 1.00 2.23 N ATOM 550 CA SER A 37 -13.095 -14.841 -8.619 1.00 21.11 C ATOM 551 C SER A 37 -14.344 -14.082 -8.205 1.00 62.15 C ATOM 552 O SER A 37 -14.266 -13.085 -7.481 1.00 50.13 O ATOM 553 CB SER A 37 -12.447 -15.512 -7.402 1.00 62.23 C ATOM 554 OG SER A 37 -13.258 -16.558 -6.885 1.00 63.00 O ATOM 0 H SER A 37 -11.490 -13.502 -8.619 1.00 2.23 H new ATOM 0 HA SER A 37 -13.376 -15.618 -9.330 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.473 -15.912 -7.683 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.274 -14.767 -6.625 1.00 62.23 H new ATOM 0 HG SER A 37 -12.814 -16.964 -6.112 1.00 63.00 H new ATOM 560 N ILE A 38 -15.491 -14.545 -8.677 1.00 34.53 N ATOM 561 CA ILE A 38 -16.759 -13.935 -8.320 1.00 12.35 C ATOM 562 C ILE A 38 -17.416 -14.758 -7.224 1.00 21.51 C ATOM 563 O ILE A 38 -18.006 -15.808 -7.483 1.00 24.12 O ATOM 564 CB ILE A 38 -17.729 -13.805 -9.525 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.116 -12.969 -10.658 1.00 24.33 C ATOM 566 CG2 ILE A 38 -19.047 -13.187 -9.080 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.172 -13.739 -11.559 1.00 24.22 C ATOM 0 H ILE A 38 -15.568 -15.342 -9.309 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.547 -12.924 -7.973 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.912 -14.809 -9.908 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -17.921 -12.554 -11.264 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -16.578 -12.127 -10.223 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.717 -13.102 -9.936 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.507 -13.819 -8.320 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.862 -12.196 -8.664 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.784 -13.075 -12.332 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -15.344 -14.131 -10.968 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -16.708 -14.565 -12.026 1.00 24.22 H new ATOM 579 N LYS A 39 -17.280 -14.300 -5.996 1.00 62.41 N ATOM 580 CA LYS A 39 -17.823 -15.009 -4.855 1.00 70.34 C ATOM 581 C LYS A 39 -19.189 -14.441 -4.503 1.00 25.51 C ATOM 582 O LYS A 39 -19.301 -13.294 -4.078 1.00 73.43 O ATOM 583 CB LYS A 39 -16.863 -14.904 -3.666 1.00 35.52 C ATOM 584 CG LYS A 39 -15.447 -15.354 -4.001 1.00 1.32 C ATOM 585 CD LYS A 39 -14.499 -15.198 -2.821 1.00 0.22 C ATOM 586 CE LYS A 39 -14.863 -16.122 -1.672 1.00 64.33 C ATOM 587 NZ LYS A 39 -13.816 -16.122 -0.618 1.00 52.43 N ATOM 0 H LYS A 39 -16.795 -13.434 -5.762 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.940 -16.064 -5.104 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.837 -13.872 -3.318 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.245 -15.509 -2.843 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -15.464 -16.398 -4.315 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -15.073 -14.773 -4.844 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -13.479 -15.407 -3.145 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -14.518 -14.165 -2.475 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -15.814 -15.810 -1.241 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.001 -17.135 -2.049 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -14.097 -16.763 0.151 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -12.914 -16.443 -1.024 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -13.702 -15.159 -0.241 1.00 52.43 H new ATOM 601 N VAL A 40 -20.222 -15.241 -4.715 1.00 63.22 N ATOM 602 CA VAL A 40 -21.589 -14.809 -4.479 1.00 35.24 C ATOM 603 C VAL A 40 -22.196 -15.594 -3.323 1.00 33.00 C ATOM 604 O VAL A 40 -22.550 -16.770 -3.465 1.00 4.22 O ATOM 605 CB VAL A 40 -22.465 -14.991 -5.739 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.861 -14.437 -5.510 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.818 -14.325 -6.945 1.00 42.04 C ATOM 0 H VAL A 40 -20.137 -16.200 -5.053 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.561 -13.748 -4.229 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.550 -16.059 -5.941 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.460 -14.576 -6.410 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.329 -14.963 -4.678 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.797 -13.374 -5.277 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.451 -14.465 -7.821 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.698 -13.259 -6.751 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.841 -14.773 -7.128 1.00 42.04 H new ATOM 617 N ILE A 41 -22.299 -14.948 -2.174 1.00 54.23 N ATOM 618 CA ILE A 41 -22.849 -15.586 -0.989 1.00 33.03 C ATOM 619 C ILE A 41 -24.329 -15.253 -0.848 1.00 40.43 C ATOM 620 O ILE A 41 -24.692 -14.105 -0.600 1.00 0.12 O ATOM 621 CB ILE A 41 -22.103 -15.141 0.290 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.588 -15.329 0.123 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.611 -15.914 1.502 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.169 -16.755 -0.166 1.00 73.31 C ATOM 0 H ILE A 41 -22.008 -13.980 -2.036 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.723 -16.662 -1.108 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.300 -14.081 0.453 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.241 -14.688 -0.688 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.089 -14.992 1.032 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.074 -15.587 2.393 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.677 -15.728 1.632 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.445 -16.980 1.349 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.085 -16.802 -0.270 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.483 -17.400 0.655 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.637 -17.091 -1.091 1.00 73.31 H new ATOM 636 N SER A 42 -25.179 -16.256 -1.029 1.00 20.34 N ATOM 637 CA SER A 42 -26.615 -16.070 -0.888 1.00 24.41 C ATOM 638 C SER A 42 -27.308 -17.400 -0.621 1.00 53.10 C ATOM 639 O SER A 42 -26.935 -18.433 -1.190 1.00 71.22 O ATOM 640 CB SER A 42 -27.195 -15.425 -2.148 1.00 15.34 C ATOM 641 OG SER A 42 -28.576 -15.150 -1.988 1.00 44.11 O ATOM 0 H SER A 42 -24.898 -17.205 -1.274 1.00 20.34 H new ATOM 0 HA SER A 42 -26.789 -15.410 -0.038 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.660 -14.501 -2.367 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.049 -16.088 -3.001 1.00 15.34 H new ATOM 0 HG SER A 42 -28.694 -14.215 -1.720 1.00 44.11 H new ATOM 647 N SER A 43 -28.327 -17.366 0.230 1.00 30.43 N ATOM 648 CA SER A 43 -29.096 -18.554 0.566 1.00 73.12 C ATOM 649 C SER A 43 -29.926 -19.036 -0.625 1.00 23.01 C ATOM 650 O SER A 43 -30.554 -20.091 -0.568 1.00 1.22 O ATOM 651 CB SER A 43 -30.001 -18.271 1.764 1.00 14.53 C ATOM 652 OG SER A 43 -29.233 -17.877 2.889 1.00 21.44 O ATOM 0 H SER A 43 -28.641 -16.518 0.703 1.00 30.43 H new ATOM 0 HA SER A 43 -28.396 -19.348 0.827 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.714 -17.486 1.511 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.581 -19.162 2.007 1.00 14.53 H new ATOM 0 HG SER A 43 -28.685 -18.631 3.191 1.00 21.44 H new ATOM 658 N GLN A 44 -29.919 -18.261 -1.704 1.00 22.21 N ATOM 659 CA GLN A 44 -30.577 -18.669 -2.937 1.00 35.52 C ATOM 660 C GLN A 44 -29.742 -19.722 -3.659 1.00 53.44 C ATOM 661 O GLN A 44 -30.242 -20.436 -4.526 1.00 5.22 O ATOM 662 CB GLN A 44 -30.824 -17.463 -3.845 1.00 53.01 C ATOM 663 CG GLN A 44 -31.772 -16.442 -3.239 1.00 53.14 C ATOM 664 CD GLN A 44 -32.135 -15.327 -4.201 1.00 12.44 C ATOM 665 OE1 GLN A 44 -32.390 -14.199 -3.784 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.174 -15.639 -5.486 1.00 42.54 N ATOM 0 H GLN A 44 -29.465 -17.348 -1.749 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.543 -19.105 -2.683 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.872 -16.980 -4.064 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.232 -17.809 -4.795 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.683 -16.947 -2.916 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.313 -16.012 -2.349 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -31.955 -16.589 -5.787 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -32.423 -14.930 -6.176 1.00 42.54 H new ATOM 675 N PHE A 45 -28.464 -19.811 -3.297 1.00 2.34 N ATOM 676 CA PHE A 45 -27.599 -20.861 -3.821 1.00 54.05 C ATOM 677 C PHE A 45 -27.372 -21.917 -2.749 1.00 52.21 C ATOM 678 O PHE A 45 -26.863 -23.004 -3.013 1.00 54.32 O ATOM 679 CB PHE A 45 -26.251 -20.286 -4.265 1.00 21.10 C ATOM 680 CG PHE A 45 -26.347 -19.286 -5.383 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.546 -19.706 -6.688 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.219 -17.930 -5.131 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.618 -18.790 -7.722 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.293 -17.011 -6.160 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.491 -17.442 -7.457 1.00 32.51 C ATOM 0 H PHE A 45 -28.008 -19.171 -2.646 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.087 -21.310 -4.686 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.771 -19.812 -3.409 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.605 -21.105 -4.580 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.646 -20.760 -6.900 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.060 -17.587 -4.119 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.773 -19.130 -8.735 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.196 -15.956 -5.950 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.546 -16.725 -8.263 1.00 32.51 H new ATOM 695 N GLN A 46 -27.790 -21.586 -1.538 1.00 72.45 N ATOM 696 CA GLN A 46 -27.603 -22.457 -0.393 1.00 75.13 C ATOM 697 C GLN A 46 -28.719 -23.490 -0.344 1.00 33.34 C ATOM 698 O GLN A 46 -29.901 -23.147 -0.354 1.00 13.13 O ATOM 699 CB GLN A 46 -27.570 -21.620 0.889 1.00 64.41 C ATOM 700 CG GLN A 46 -27.232 -22.403 2.146 1.00 21.44 C ATOM 701 CD GLN A 46 -27.089 -21.504 3.357 1.00 44.02 C ATOM 702 OE1 GLN A 46 -27.738 -20.459 3.453 1.00 34.13 O ATOM 703 NE2 GLN A 46 -26.241 -21.898 4.290 1.00 64.01 N ATOM 0 H GLN A 46 -28.266 -20.710 -1.323 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.654 -22.985 -0.483 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -26.839 -20.821 0.767 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.542 -21.145 1.023 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -28.012 -23.141 2.333 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -26.303 -22.953 1.991 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -25.723 -22.769 4.173 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -26.104 -21.331 5.127 1.00 64.01 H new ATOM 712 N GLY A 47 -28.338 -24.754 -0.321 1.00 61.23 N ATOM 713 CA GLY A 47 -29.316 -25.820 -0.352 1.00 30.52 C ATOM 714 C GLY A 47 -29.492 -26.369 -1.752 1.00 5.25 C ATOM 715 O GLY A 47 -29.920 -27.508 -1.933 1.00 33.03 O ATOM 0 H GLY A 47 -27.367 -25.063 -0.281 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.004 -26.621 0.318 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.272 -25.449 0.018 1.00 30.52 H new ATOM 719 N LYS A 48 -29.159 -25.551 -2.740 1.00 74.22 N ATOM 720 CA LYS A 48 -29.180 -25.972 -4.128 1.00 25.13 C ATOM 721 C LYS A 48 -27.968 -26.841 -4.429 1.00 55.24 C ATOM 722 O LYS A 48 -26.887 -26.617 -3.881 1.00 42.13 O ATOM 723 CB LYS A 48 -29.175 -24.749 -5.045 1.00 2.30 C ATOM 724 CG LYS A 48 -30.387 -23.849 -4.878 1.00 31.41 C ATOM 725 CD LYS A 48 -31.660 -24.572 -5.267 1.00 43.32 C ATOM 726 CE LYS A 48 -32.871 -23.658 -5.212 1.00 50.32 C ATOM 727 NZ LYS A 48 -34.083 -24.326 -5.757 1.00 10.22 N ATOM 0 H LYS A 48 -28.869 -24.583 -2.601 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.087 -26.550 -4.305 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.274 -24.167 -4.853 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -29.124 -25.084 -6.081 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.456 -23.515 -3.843 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.269 -22.957 -5.493 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.555 -24.975 -6.274 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.814 -25.420 -4.599 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.053 -23.356 -4.181 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.669 -22.750 -5.779 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.892 -23.674 -5.705 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -33.916 -24.592 -6.748 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -34.289 -25.179 -5.199 1.00 10.22 H new ATOM 741 N SER A 49 -28.149 -27.830 -5.286 1.00 13.41 N ATOM 742 CA SER A 49 -27.056 -28.685 -5.713 1.00 51.51 C ATOM 743 C SER A 49 -26.100 -27.898 -6.607 1.00 12.24 C ATOM 744 O SER A 49 -26.493 -26.898 -7.217 1.00 74.40 O ATOM 745 CB SER A 49 -27.613 -29.904 -6.456 1.00 73.24 C ATOM 746 OG SER A 49 -26.580 -30.746 -6.942 1.00 23.44 O ATOM 0 H SER A 49 -29.051 -28.062 -5.703 1.00 13.41 H new ATOM 0 HA SER A 49 -26.504 -29.032 -4.840 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.260 -30.472 -5.787 1.00 73.24 H new ATOM 0 HB3 SER A 49 -28.231 -29.570 -7.289 1.00 73.24 H new ATOM 0 HG SER A 49 -26.975 -31.512 -7.408 1.00 23.44 H new ATOM 752 N LYS A 50 -24.847 -28.344 -6.673 1.00 4.42 N ATOM 753 CA LYS A 50 -23.838 -27.676 -7.487 1.00 71.43 C ATOM 754 C LYS A 50 -24.320 -27.491 -8.916 1.00 23.45 C ATOM 755 O LYS A 50 -24.202 -26.405 -9.483 1.00 32.41 O ATOM 756 CB LYS A 50 -22.531 -28.466 -7.506 1.00 4.10 C ATOM 757 CG LYS A 50 -21.696 -28.318 -6.252 1.00 64.11 C ATOM 758 CD LYS A 50 -20.372 -29.046 -6.394 1.00 23.40 C ATOM 759 CE LYS A 50 -19.437 -28.728 -5.245 1.00 14.31 C ATOM 760 NZ LYS A 50 -18.147 -29.450 -5.370 1.00 52.11 N ATOM 0 H LYS A 50 -24.508 -29.165 -6.172 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.663 -26.700 -7.035 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.760 -29.521 -7.654 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -21.939 -28.145 -8.363 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.515 -27.262 -6.053 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -22.244 -28.714 -5.397 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -20.549 -30.121 -6.433 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -19.901 -28.766 -7.336 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -19.251 -27.654 -5.214 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -19.914 -28.997 -4.303 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -17.534 -29.207 -4.566 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -18.322 -30.475 -5.375 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -17.680 -29.175 -6.257 1.00 52.11 H new ATOM 774 N LEU A 51 -24.867 -28.553 -9.491 1.00 35.35 N ATOM 775 CA LEU A 51 -25.333 -28.514 -10.867 1.00 23.42 C ATOM 776 C LEU A 51 -26.410 -27.444 -11.038 1.00 5.20 C ATOM 777 O LEU A 51 -26.387 -26.682 -12.004 1.00 63.51 O ATOM 778 CB LEU A 51 -25.872 -29.881 -11.289 1.00 12.31 C ATOM 779 CG LEU A 51 -26.371 -29.969 -12.733 1.00 32.31 C ATOM 780 CD1 LEU A 51 -25.220 -29.780 -13.711 1.00 43.12 C ATOM 781 CD2 LEU A 51 -27.065 -31.299 -12.973 1.00 32.51 C ATOM 0 H LEU A 51 -24.998 -29.451 -9.025 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.488 -28.261 -11.508 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -25.086 -30.623 -11.148 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.690 -30.153 -10.622 1.00 12.31 H new ATOM 0 HG LEU A 51 -27.092 -29.169 -12.898 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -25.596 -29.846 -14.732 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -24.766 -28.802 -13.554 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -24.473 -30.557 -13.548 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -27.414 -31.346 -14.004 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.364 -32.113 -12.789 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -27.915 -31.393 -12.297 1.00 32.51 H new ATOM 793 N GLU A 52 -27.336 -27.379 -10.081 1.00 71.20 N ATOM 794 CA GLU A 52 -28.392 -26.368 -10.092 1.00 3.31 C ATOM 795 C GLU A 52 -27.791 -24.971 -10.127 1.00 30.12 C ATOM 796 O GLU A 52 -28.163 -24.140 -10.961 1.00 1.51 O ATOM 797 CB GLU A 52 -29.287 -26.496 -8.856 1.00 30.33 C ATOM 798 CG GLU A 52 -30.014 -27.825 -8.745 1.00 23.32 C ATOM 799 CD GLU A 52 -30.940 -27.871 -7.547 1.00 25.24 C ATOM 800 OE1 GLU A 52 -32.115 -27.484 -7.692 1.00 33.02 O ATOM 801 OE2 GLU A 52 -30.495 -28.283 -6.458 1.00 61.13 O ATOM 0 H GLU A 52 -27.375 -28.017 -9.286 1.00 71.20 H new ATOM 0 HA GLU A 52 -28.994 -26.530 -10.986 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.677 -26.353 -7.964 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.023 -25.693 -8.870 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.589 -28.000 -9.654 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -29.284 -28.631 -8.670 1.00 23.32 H new ATOM 808 N GLN A 53 -26.851 -24.732 -9.218 1.00 12.11 N ATOM 809 CA GLN A 53 -26.186 -23.441 -9.115 1.00 42.34 C ATOM 810 C GLN A 53 -25.516 -23.074 -10.432 1.00 43.01 C ATOM 811 O GLN A 53 -25.698 -21.971 -10.947 1.00 50.30 O ATOM 812 CB GLN A 53 -25.136 -23.480 -8.007 1.00 43.04 C ATOM 813 CG GLN A 53 -25.690 -23.822 -6.635 1.00 62.32 C ATOM 814 CD GLN A 53 -24.590 -24.026 -5.617 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.515 -23.443 -5.728 1.00 70.33 O ATOM 816 NE2 GLN A 53 -24.844 -24.858 -4.624 1.00 33.33 N ATOM 0 H GLN A 53 -26.532 -25.422 -8.538 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.938 -22.688 -8.879 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.373 -24.212 -8.271 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.642 -22.510 -7.955 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.350 -23.022 -6.300 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.294 -24.727 -6.703 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -25.750 -25.323 -4.567 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.134 -25.036 -3.913 1.00 33.33 H new ATOM 825 N HIS A 54 -24.778 -24.025 -10.997 1.00 11.40 N ATOM 826 CA HIS A 54 -24.027 -23.782 -12.224 1.00 50.22 C ATOM 827 C HIS A 54 -24.967 -23.521 -13.389 1.00 75.33 C ATOM 828 O HIS A 54 -24.690 -22.678 -14.241 1.00 22.05 O ATOM 829 CB HIS A 54 -23.094 -24.955 -12.539 1.00 60.03 C ATOM 830 CG HIS A 54 -22.084 -25.208 -11.465 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.704 -26.472 -11.074 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.394 -24.351 -10.679 1.00 72.31 C ATOM 833 CE1 HIS A 54 -20.836 -26.383 -10.088 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.623 -25.104 -9.828 1.00 73.11 N ATOM 0 H HIS A 54 -24.684 -24.970 -10.625 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.415 -22.893 -12.071 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.690 -25.855 -12.688 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.576 -24.757 -13.477 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.441 -23.273 -10.714 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.375 -27.215 -9.577 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.992 -24.738 -9.115 1.00 73.11 H new ATOM 843 N ARG A 55 -26.084 -24.239 -13.417 1.00 60.31 N ATOM 844 CA ARG A 55 -27.114 -24.006 -14.419 1.00 40.14 C ATOM 845 C ARG A 55 -27.615 -22.579 -14.345 1.00 43.34 C ATOM 846 O ARG A 55 -27.701 -21.887 -15.358 1.00 3.25 O ATOM 847 CB ARG A 55 -28.298 -24.946 -14.216 1.00 52.11 C ATOM 848 CG ARG A 55 -28.025 -26.386 -14.620 1.00 35.13 C ATOM 849 CD ARG A 55 -29.255 -27.255 -14.426 1.00 61.41 C ATOM 850 NE ARG A 55 -30.318 -26.906 -15.369 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.572 -26.626 -15.022 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.939 -26.640 -13.744 1.00 74.13 N ATOM 853 NH2 ARG A 55 -32.463 -26.337 -15.960 1.00 52.14 N ATOM 0 H ARG A 55 -26.298 -24.987 -12.757 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.666 -24.192 -15.395 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.590 -24.924 -13.166 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.146 -24.574 -14.790 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.714 -26.420 -15.664 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.200 -26.782 -14.028 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -28.984 -28.303 -14.554 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -29.622 -27.143 -13.406 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.082 -26.875 -16.361 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.257 -26.867 -13.020 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.902 -26.424 -13.488 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -32.186 -26.330 -16.942 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -33.426 -26.122 -15.700 1.00 52.14 H new ATOM 867 N MET A 56 -27.951 -22.146 -13.137 1.00 5.13 N ATOM 868 CA MET A 56 -28.497 -20.816 -12.942 1.00 13.24 C ATOM 869 C MET A 56 -27.499 -19.745 -13.377 1.00 73.24 C ATOM 870 O MET A 56 -27.875 -18.773 -14.028 1.00 12.14 O ATOM 871 CB MET A 56 -28.907 -20.593 -11.483 1.00 12.34 C ATOM 872 CG MET A 56 -30.091 -21.447 -11.044 1.00 75.15 C ATOM 873 SD MET A 56 -30.624 -21.096 -9.354 1.00 61.02 S ATOM 874 CE MET A 56 -29.180 -21.605 -8.430 1.00 11.14 C ATOM 0 H MET A 56 -27.854 -22.696 -12.283 1.00 5.13 H new ATOM 0 HA MET A 56 -29.388 -20.734 -13.565 1.00 13.24 H new ATOM 0 HB2 MET A 56 -28.055 -20.809 -10.838 1.00 12.34 H new ATOM 0 HB3 MET A 56 -29.156 -19.541 -11.341 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.926 -21.279 -11.725 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.822 -22.500 -11.123 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.375 -21.499 -7.363 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.952 -22.647 -8.655 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.331 -20.980 -8.708 1.00 11.14 H new ATOM 884 N ILE A 57 -26.227 -19.939 -13.029 1.00 55.45 N ATOM 885 CA ILE A 57 -25.169 -19.008 -13.426 1.00 13.21 C ATOM 886 C ILE A 57 -25.045 -18.968 -14.946 1.00 34.43 C ATOM 887 O ILE A 57 -24.995 -17.900 -15.553 1.00 62.10 O ATOM 888 CB ILE A 57 -23.803 -19.414 -12.819 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.923 -19.574 -11.302 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.736 -18.375 -13.156 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.783 -20.356 -10.687 1.00 2.10 C ATOM 0 H ILE A 57 -25.904 -20.731 -12.474 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.441 -18.022 -13.049 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.505 -20.369 -13.251 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.966 -18.587 -10.842 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.863 -20.074 -11.070 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.783 -18.677 -12.721 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.633 -18.298 -14.238 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -23.029 -17.407 -12.749 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.932 -20.431 -9.610 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.753 -21.356 -11.119 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.841 -19.845 -10.888 1.00 2.10 H new ATOM 903 N TYR A 58 -25.031 -20.146 -15.552 1.00 15.22 N ATOM 904 CA TYR A 58 -24.900 -20.274 -16.996 1.00 4.35 C ATOM 905 C TYR A 58 -26.090 -19.635 -17.716 1.00 73.40 C ATOM 906 O TYR A 58 -25.950 -19.112 -18.822 1.00 43.54 O ATOM 907 CB TYR A 58 -24.767 -21.756 -17.371 1.00 3.41 C ATOM 908 CG TYR A 58 -24.539 -22.017 -18.842 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.377 -21.590 -19.473 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.481 -22.700 -19.599 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.159 -21.841 -20.815 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.274 -22.954 -20.940 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.111 -22.521 -21.546 1.00 54.23 C ATOM 914 OH TYR A 58 -23.896 -22.778 -22.882 1.00 40.03 O ATOM 0 H TYR A 58 -25.110 -21.036 -15.060 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.002 -19.745 -17.315 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -23.940 -22.187 -16.807 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.671 -22.278 -17.059 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.631 -21.053 -18.905 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.393 -23.039 -19.130 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.248 -21.506 -21.289 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.018 -23.489 -21.512 1.00 44.13 H new ATOM 0 HH TYR A 58 -24.663 -23.266 -23.249 1.00 40.03 H new ATOM 924 N LYS A 59 -27.257 -19.677 -17.085 1.00 73.42 N ATOM 925 CA LYS A 59 -28.461 -19.088 -17.666 1.00 51.11 C ATOM 926 C LYS A 59 -28.516 -17.578 -17.442 1.00 44.10 C ATOM 927 O LYS A 59 -28.849 -16.828 -18.357 1.00 22.41 O ATOM 928 CB LYS A 59 -29.719 -19.750 -17.097 1.00 13.12 C ATOM 929 CG LYS A 59 -29.915 -21.182 -17.562 1.00 73.15 C ATOM 930 CD LYS A 59 -31.186 -21.789 -16.991 1.00 61.04 C ATOM 931 CE LYS A 59 -31.404 -23.203 -17.501 1.00 2.45 C ATOM 932 NZ LYS A 59 -31.621 -23.246 -18.972 1.00 73.34 N ATOM 0 H LYS A 59 -27.397 -20.111 -16.173 1.00 73.42 H new ATOM 0 HA LYS A 59 -28.422 -19.267 -18.740 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.667 -19.734 -16.008 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -30.591 -19.161 -17.383 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.956 -21.209 -18.651 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.057 -21.783 -17.261 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.129 -21.798 -15.903 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -32.040 -21.168 -17.260 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -30.540 -23.816 -17.246 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.265 -23.640 -16.996 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -31.964 -24.189 -19.245 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.326 -22.530 -19.240 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.725 -23.049 -19.461 1.00 73.34 H new ATOM 946 N VAL A 60 -28.182 -17.126 -16.238 1.00 40.42 N ATOM 947 CA VAL A 60 -28.247 -15.700 -15.927 1.00 13.04 C ATOM 948 C VAL A 60 -27.150 -14.930 -16.664 1.00 62.12 C ATOM 949 O VAL A 60 -27.343 -13.783 -17.068 1.00 21.20 O ATOM 950 CB VAL A 60 -28.162 -15.431 -14.401 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.789 -15.778 -13.839 1.00 54.03 C ATOM 952 CG2 VAL A 60 -28.523 -13.986 -14.086 1.00 74.32 C ATOM 0 H VAL A 60 -27.867 -17.717 -15.469 1.00 40.42 H new ATOM 0 HA VAL A 60 -29.218 -15.344 -16.270 1.00 13.04 H new ATOM 0 HB VAL A 60 -28.888 -16.084 -13.916 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.772 -15.575 -12.768 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.582 -16.834 -14.011 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.030 -15.173 -14.335 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -28.457 -13.820 -13.011 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -27.831 -13.318 -14.599 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -29.540 -13.783 -14.422 1.00 74.32 H new ATOM 962 N LEU A 61 -26.005 -15.575 -16.859 1.00 32.20 N ATOM 963 CA LEU A 61 -24.905 -14.965 -17.592 1.00 23.13 C ATOM 964 C LEU A 61 -25.056 -15.216 -19.089 1.00 43.05 C ATOM 965 O LEU A 61 -24.432 -14.539 -19.907 1.00 70.44 O ATOM 966 CB LEU A 61 -23.560 -15.508 -17.090 1.00 21.35 C ATOM 967 CG LEU A 61 -23.201 -15.135 -15.651 1.00 63.31 C ATOM 968 CD1 LEU A 61 -21.825 -15.674 -15.295 1.00 14.42 C ATOM 969 CD2 LEU A 61 -23.246 -13.628 -15.459 1.00 52.20 C ATOM 0 H LEU A 61 -25.816 -16.518 -16.520 1.00 32.20 H new ATOM 0 HA LEU A 61 -24.930 -13.889 -17.419 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -23.571 -16.595 -17.174 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -22.772 -15.145 -17.749 1.00 21.35 H new ATOM 0 HG LEU A 61 -23.936 -15.586 -14.985 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -21.582 -15.401 -14.268 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -21.823 -16.760 -15.392 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.082 -15.248 -15.969 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -22.987 -13.385 -14.428 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -22.533 -13.154 -16.134 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -24.250 -13.263 -15.677 1.00 52.20 H new ATOM 981 N ASP A 62 -25.904 -16.190 -19.431 1.00 51.31 N ATOM 982 CA ASP A 62 -26.162 -16.573 -20.825 1.00 11.45 C ATOM 983 C ASP A 62 -24.898 -17.062 -21.519 1.00 35.13 C ATOM 984 O ASP A 62 -24.806 -17.054 -22.746 1.00 45.22 O ATOM 985 CB ASP A 62 -26.779 -15.416 -21.618 1.00 14.42 C ATOM 986 CG ASP A 62 -28.291 -15.397 -21.535 1.00 30.25 C ATOM 987 OD1 ASP A 62 -28.929 -16.343 -22.045 1.00 64.21 O ATOM 988 OD2 ASP A 62 -28.853 -14.433 -20.973 1.00 3.33 O ATOM 0 H ASP A 62 -26.432 -16.736 -18.750 1.00 51.31 H new ATOM 0 HA ASP A 62 -26.876 -17.396 -20.797 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -26.386 -14.472 -21.242 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -26.477 -15.494 -22.662 1.00 14.42 H new ATOM 993 N GLY A 63 -23.937 -17.514 -20.733 1.00 4.15 N ATOM 994 CA GLY A 63 -22.692 -17.993 -21.283 1.00 43.43 C ATOM 995 C GLY A 63 -21.517 -17.616 -20.416 1.00 33.13 C ATOM 996 O GLY A 63 -21.532 -17.875 -19.211 1.00 43.24 O ATOM 0 H GLY A 63 -23.999 -17.557 -19.716 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.734 -19.077 -21.388 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -22.554 -17.581 -22.283 1.00 43.43 H new ATOM 1000 N LEU A 64 -20.503 -17.006 -21.033 1.00 51.34 N ATOM 1001 CA LEU A 64 -19.292 -16.561 -20.332 1.00 3.45 C ATOM 1002 C LEU A 64 -18.483 -17.749 -19.817 1.00 42.35 C ATOM 1003 O LEU A 64 -17.534 -17.585 -19.051 1.00 0.34 O ATOM 1004 CB LEU A 64 -19.625 -15.600 -19.177 1.00 54.54 C ATOM 1005 CG LEU A 64 -19.919 -14.147 -19.578 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -21.191 -14.044 -20.409 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -20.022 -13.269 -18.341 1.00 63.23 C ATOM 0 H LEU A 64 -20.496 -16.806 -22.033 1.00 51.34 H new ATOM 0 HA LEU A 64 -18.685 -16.019 -21.057 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -20.490 -15.991 -18.642 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -18.790 -15.601 -18.476 1.00 54.54 H new ATOM 0 HG LEU A 64 -19.091 -13.797 -20.194 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -21.368 -13.002 -20.675 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -21.081 -14.637 -21.317 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -22.035 -14.419 -19.830 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -20.231 -12.242 -18.640 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -20.828 -13.632 -17.703 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -19.081 -13.303 -17.791 1.00 63.23 H new ATOM 1019 N ASN A 65 -18.846 -18.941 -20.258 1.00 64.21 N ATOM 1020 CA ASN A 65 -18.144 -20.143 -19.853 1.00 60.20 C ATOM 1021 C ASN A 65 -17.229 -20.623 -20.968 1.00 64.31 C ATOM 1022 O ASN A 65 -17.683 -21.205 -21.954 1.00 34.35 O ATOM 1023 CB ASN A 65 -19.129 -21.252 -19.469 1.00 11.43 C ATOM 1024 CG ASN A 65 -18.425 -22.546 -19.093 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.165 -23.394 -19.945 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -18.111 -22.707 -17.817 1.00 54.41 N ATOM 0 H ASN A 65 -19.624 -19.101 -20.898 1.00 64.21 H new ATOM 0 HA ASN A 65 -17.541 -19.901 -18.978 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -19.741 -20.917 -18.631 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -19.806 -21.438 -20.303 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -17.637 -23.557 -17.512 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -18.343 -21.981 -17.139 1.00 54.41 H new ATOM 1080 N ILE A 69 -15.773 -20.777 -14.792 1.00 52.42 N ATOM 1081 CA ILE A 69 -16.387 -19.469 -14.618 1.00 0.05 C ATOM 1082 C ILE A 69 -15.679 -18.698 -13.507 1.00 34.51 C ATOM 1083 O ILE A 69 -15.604 -17.468 -13.542 1.00 0.24 O ATOM 1084 CB ILE A 69 -17.888 -19.592 -14.278 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -18.576 -20.551 -15.256 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -18.562 -18.223 -14.323 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -20.030 -20.825 -14.930 1.00 43.35 C ATOM 0 HA ILE A 69 -16.289 -18.931 -15.561 1.00 0.05 H new ATOM 0 HB ILE A 69 -17.981 -19.991 -13.268 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -18.512 -20.136 -16.262 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -18.032 -21.496 -15.266 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -19.619 -18.330 -14.081 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -18.089 -17.560 -13.598 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -18.460 -17.800 -15.322 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -20.445 -21.512 -15.668 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -20.103 -21.271 -13.938 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -20.590 -19.890 -14.949 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.156 -19.448 -12.534 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.476 -18.885 -11.367 1.00 45.13 C ATOM 1101 C GLN A 70 -15.491 -18.191 -10.454 1.00 54.23 C ATOM 1102 O GLN A 70 -15.169 -17.261 -9.706 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.346 -17.932 -11.791 1.00 3.32 C ATOM 1104 CG GLN A 70 -12.392 -17.564 -10.663 1.00 45.50 C ATOM 1105 CD GLN A 70 -11.702 -18.772 -10.055 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -12.217 -19.392 -9.126 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -10.526 -19.102 -10.568 1.00 43.43 N ATOM 0 H GLN A 70 -15.193 -20.467 -12.534 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.013 -19.696 -10.805 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -12.778 -18.395 -12.598 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.786 -17.020 -12.194 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -11.638 -16.874 -11.042 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -12.944 -17.037 -9.885 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -10.136 -18.560 -11.339 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -10.011 -19.898 -10.192 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.725 -18.673 -10.515 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.785 -18.176 -9.657 1.00 32.34 C ATOM 1118 C ILE A 71 -17.979 -19.107 -8.458 1.00 21.45 C ATOM 1119 O ILE A 71 -18.038 -20.332 -8.605 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.116 -18.013 -10.425 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.201 -17.457 -9.494 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.548 -19.337 -11.034 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.433 -16.948 -10.213 1.00 61.50 C ATOM 0 H ILE A 71 -17.015 -19.412 -11.155 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.484 -17.190 -9.302 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.965 -17.303 -11.238 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.499 -18.238 -8.794 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.777 -16.645 -8.904 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.487 -19.202 -11.570 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.782 -19.686 -11.726 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.685 -20.074 -10.243 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.151 -16.572 -9.484 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -21.151 -16.144 -10.892 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.885 -17.761 -10.781 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.049 -18.525 -7.273 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.292 -19.292 -6.063 1.00 11.31 C ATOM 1137 C GLN A 72 -19.674 -18.959 -5.533 1.00 41.51 C ATOM 1138 O GLN A 72 -19.901 -17.860 -5.032 1.00 30.42 O ATOM 1139 CB GLN A 72 -17.247 -18.967 -4.997 1.00 73.05 C ATOM 1140 CG GLN A 72 -17.324 -19.875 -3.781 1.00 75.12 C ATOM 1141 CD GLN A 72 -16.627 -19.286 -2.571 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.429 -19.476 -2.369 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -17.382 -18.577 -1.747 1.00 23.21 N ATOM 0 H GLN A 72 -17.941 -17.522 -7.123 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.226 -20.354 -6.300 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.253 -19.045 -5.437 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.374 -17.933 -4.678 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -18.370 -20.063 -3.538 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -16.874 -20.838 -4.022 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -18.372 -18.443 -1.951 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -16.973 -18.165 -0.908 1.00 23.21 H new ATOM 1152 N THR A 73 -20.594 -19.893 -5.653 1.00 51.10 N ATOM 1153 CA THR A 73 -21.963 -19.653 -5.249 1.00 71.51 C ATOM 1154 C THR A 73 -22.311 -20.381 -3.956 1.00 31.34 C ATOM 1155 O THR A 73 -22.221 -21.603 -3.870 1.00 0.24 O ATOM 1156 CB THR A 73 -22.933 -20.071 -6.366 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.487 -21.297 -6.965 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.030 -18.984 -7.424 1.00 60.22 C ATOM 0 H THR A 73 -20.419 -20.826 -6.027 1.00 51.10 H new ATOM 0 HA THR A 73 -22.064 -18.583 -5.065 1.00 71.51 H new ATOM 0 HB THR A 73 -23.921 -20.221 -5.931 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.733 -22.051 -6.389 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.721 -19.298 -8.206 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.393 -18.063 -6.967 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.045 -18.810 -7.858 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.694 -19.612 -2.945 1.00 12.20 N ATOM 1167 CA GLY A 74 -23.130 -20.194 -1.694 1.00 10.41 C ATOM 1168 C GLY A 74 -22.000 -20.372 -0.701 1.00 15.25 C ATOM 1169 O GLY A 74 -20.843 -20.540 -1.082 1.00 44.31 O ATOM 0 H GLY A 74 -22.710 -18.592 -2.971 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.898 -19.560 -1.252 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -23.590 -21.162 -1.890 1.00 10.41 H new