USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 879 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 82 THR OG1 : rot 90:sc= -0.669 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.165 K(o=-1,f=-9.2!) USER MOD Set 1.3: A 85 SER OG : rot 80:sc= -0.188 USER MOD Set 2.1: A 81 MET CE :methyl 168:sc= -5.66! (180deg=-6.67!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ 133:sc= 0.64 (180deg=-2.01!) USER MOD Set 3.1: A 75 MET CE :methyl -170:sc= -1.42 (180deg=-1.57) USER MOD Set 3.2: A 122 TYR OH : rot 28:sc= 0.123 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 172:sc= -0.611 USER MOD Single : A 30 CYS SG : rot 39:sc=-0.00805 USER MOD Single : A 31 THR OG1 : rot 123:sc= 2.02 USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.376 USER MOD Single : A 35 ASN : amide:sc= -0.152 K(o=-0.15,f=-4.6!) USER MOD Single : A 37 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.195 (180deg=-0.411) USER MOD Single : A 47 THR OG1 : rot -59:sc= 0.533 USER MOD Single : A 53 SER OG : rot 180:sc= -0.849 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.0149 (180deg=-0.286) USER MOD Single : A 68 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.83) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.336 (180deg=-1.77!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.98 K(o=-2,f=-3.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -158:sc= -3.19! USER MOD Single : A 95 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.049) USER MOD Single : A 101 TYR OH : rot 80:sc= -1.81! USER MOD Single : A 120 SER OG : rot 88:sc= 0.101 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.917 -3.842 -2.044 1.00 43.43 N ATOM 36 CA ARG A 3 5.334 -3.973 -2.364 1.00 13.51 C ATOM 37 C ARG A 3 5.812 -5.403 -2.136 1.00 63.54 C ATOM 38 O ARG A 3 6.697 -5.892 -2.838 1.00 40.10 O ATOM 39 CB ARG A 3 6.161 -3.006 -1.515 1.00 44.42 C ATOM 40 CG ARG A 3 5.712 -2.930 -0.065 1.00 52.12 C ATOM 41 CD ARG A 3 6.618 -3.748 0.842 1.00 13.53 C ATOM 42 NE ARG A 3 7.130 -2.958 1.959 1.00 64.11 N ATOM 43 CZ ARG A 3 8.014 -1.976 1.820 1.00 13.20 C ATOM 44 NH1 ARG A 3 8.480 -1.664 0.619 1.00 54.44 N ATOM 45 NH2 ARG A 3 8.432 -1.303 2.884 1.00 25.03 N ATOM 0 HA ARG A 3 5.468 -3.727 -3.417 1.00 13.51 H new ATOM 0 HB2 ARG A 3 7.207 -3.311 -1.547 1.00 44.42 H new ATOM 0 HB3 ARG A 3 6.106 -2.011 -1.956 1.00 44.42 H new ATOM 0 HG2 ARG A 3 5.710 -1.890 0.262 1.00 52.12 H new ATOM 0 HG3 ARG A 3 4.688 -3.293 0.019 1.00 52.12 H new ATOM 0 HD2 ARG A 3 6.067 -4.606 1.227 1.00 13.53 H new ATOM 0 HD3 ARG A 3 7.453 -4.140 0.262 1.00 13.53 H new ATOM 0 HE ARG A 3 6.790 -3.172 2.897 1.00 64.11 H new ATOM 0 HH11 ARG A 3 8.160 -2.178 -0.202 1.00 54.44 H new ATOM 0 HH12 ARG A 3 9.159 -0.910 0.515 1.00 54.44 H new ATOM 0 HH21 ARG A 3 8.075 -1.539 3.810 1.00 25.03 H new ATOM 0 HH22 ARG A 3 9.111 -0.549 2.776 1.00 25.03 H new ATOM 59 N GLY A 4 5.221 -6.070 -1.150 1.00 31.33 N ATOM 60 CA GLY A 4 5.600 -7.438 -0.847 1.00 3.12 C ATOM 61 C GLY A 4 4.435 -8.264 -0.339 1.00 42.01 C ATOM 62 O GLY A 4 4.025 -8.128 0.814 1.00 25.11 O ATOM 0 H GLY A 4 4.486 -5.687 -0.555 1.00 31.33 H new ATOM 0 HA2 GLY A 4 6.009 -7.905 -1.743 1.00 3.12 H new ATOM 0 HA3 GLY A 4 6.393 -7.435 -0.099 1.00 3.12 H new ATOM 66 N ILE A 5 3.899 -9.121 -1.202 1.00 3.14 N ATOM 67 CA ILE A 5 2.774 -9.971 -0.834 1.00 30.23 C ATOM 68 C ILE A 5 3.243 -11.200 -0.062 1.00 73.12 C ATOM 69 O ILE A 5 4.229 -11.839 -0.430 1.00 53.13 O ATOM 70 CB ILE A 5 1.984 -10.428 -2.075 1.00 24.25 C ATOM 71 CG1 ILE A 5 1.279 -9.236 -2.725 1.00 20.23 C ATOM 72 CG2 ILE A 5 0.978 -11.504 -1.695 1.00 53.11 C ATOM 73 CD1 ILE A 5 0.968 -9.444 -4.190 1.00 43.14 C ATOM 0 H ILE A 5 4.226 -9.245 -2.160 1.00 3.14 H new ATOM 0 HA ILE A 5 2.121 -9.373 -0.198 1.00 30.23 H new ATOM 0 HB ILE A 5 2.682 -10.850 -2.798 1.00 24.25 H new ATOM 0 HG12 ILE A 5 0.351 -9.037 -2.189 1.00 20.23 H new ATOM 0 HG13 ILE A 5 1.905 -8.351 -2.617 1.00 20.23 H new ATOM 0 HG21 ILE A 5 0.427 -11.817 -2.582 1.00 53.11 H new ATOM 0 HG22 ILE A 5 1.503 -12.361 -1.273 1.00 53.11 H new ATOM 0 HG23 ILE A 5 0.281 -11.106 -0.957 1.00 53.11 H new ATOM 0 HD11 ILE A 5 0.469 -8.559 -4.585 1.00 43.14 H new ATOM 0 HD12 ILE A 5 1.895 -9.613 -4.738 1.00 43.14 H new ATOM 0 HD13 ILE A 5 0.316 -10.310 -4.304 1.00 43.14 H new ATOM 85 N VAL A 6 2.528 -11.527 1.010 1.00 61.32 N ATOM 86 CA VAL A 6 2.869 -12.682 1.832 1.00 14.04 C ATOM 87 C VAL A 6 1.763 -13.731 1.792 1.00 12.20 C ATOM 88 O VAL A 6 0.590 -13.418 1.995 1.00 34.43 O ATOM 89 CB VAL A 6 3.121 -12.274 3.296 1.00 54.30 C ATOM 90 CG1 VAL A 6 3.737 -13.427 4.074 1.00 54.34 C ATOM 91 CG2 VAL A 6 4.010 -11.041 3.359 1.00 24.52 C ATOM 0 H VAL A 6 1.710 -11.009 1.329 1.00 61.32 H new ATOM 0 HA VAL A 6 3.784 -13.106 1.418 1.00 14.04 H new ATOM 0 HB VAL A 6 2.164 -12.028 3.757 1.00 54.30 H new ATOM 0 HG11 VAL A 6 3.908 -13.120 5.106 1.00 54.34 H new ATOM 0 HG12 VAL A 6 3.059 -14.281 4.057 1.00 54.34 H new ATOM 0 HG13 VAL A 6 4.686 -13.708 3.617 1.00 54.34 H new ATOM 0 HG21 VAL A 6 4.178 -10.766 4.400 1.00 24.52 H new ATOM 0 HG22 VAL A 6 4.966 -11.257 2.882 1.00 24.52 H new ATOM 0 HG23 VAL A 6 3.524 -10.215 2.840 1.00 24.52 H new ATOM 101 N TRP A 7 2.145 -14.975 1.529 1.00 60.11 N ATOM 102 CA TRP A 7 1.185 -16.071 1.462 1.00 22.34 C ATOM 103 C TRP A 7 1.389 -17.044 2.619 1.00 72.14 C ATOM 104 O TRP A 7 2.424 -17.024 3.284 1.00 22.33 O ATOM 105 CB TRP A 7 1.315 -16.810 0.129 1.00 1.13 C ATOM 106 CG TRP A 7 0.868 -15.996 -1.047 1.00 13.31 C ATOM 107 CD1 TRP A 7 0.298 -14.755 -1.016 1.00 2.13 C ATOM 108 CD2 TRP A 7 0.951 -16.366 -2.427 1.00 64.53 C ATOM 109 NE1 TRP A 7 0.023 -14.332 -2.294 1.00 14.13 N ATOM 110 CE2 TRP A 7 0.415 -15.302 -3.178 1.00 13.03 C ATOM 111 CE3 TRP A 7 1.429 -17.493 -3.103 1.00 2.35 C ATOM 112 CZ2 TRP A 7 0.343 -15.334 -4.568 1.00 14.32 C ATOM 113 CZ3 TRP A 7 1.357 -17.523 -4.482 1.00 54.22 C ATOM 114 CH2 TRP A 7 0.818 -16.449 -5.203 1.00 14.10 C ATOM 0 H TRP A 7 3.112 -15.250 1.359 1.00 60.11 H new ATOM 0 HA TRP A 7 0.183 -15.649 1.539 1.00 22.34 H new ATOM 0 HB2 TRP A 7 2.355 -17.104 -0.016 1.00 1.13 H new ATOM 0 HB3 TRP A 7 0.728 -17.727 0.171 1.00 1.13 H new ATOM 0 HD1 TRP A 7 0.094 -14.189 -0.119 1.00 2.13 H new ATOM 0 HE1 TRP A 7 -0.404 -13.440 -2.544 1.00 14.13 H new ATOM 0 HE3 TRP A 7 1.847 -18.325 -2.556 1.00 2.35 H new ATOM 0 HZ2 TRP A 7 -0.073 -14.508 -5.125 1.00 14.32 H new ATOM 0 HZ3 TRP A 7 1.722 -18.389 -5.014 1.00 54.22 H new ATOM 0 HH2 TRP A 7 0.777 -16.502 -6.281 1.00 14.10 H new ATOM 125 N VAL A 8 0.395 -17.895 2.853 1.00 72.14 N ATOM 126 CA VAL A 8 0.466 -18.877 3.928 1.00 1.22 C ATOM 127 C VAL A 8 -0.129 -20.212 3.494 1.00 4.21 C ATOM 128 O VAL A 8 -1.118 -20.255 2.763 1.00 41.44 O ATOM 129 CB VAL A 8 -0.271 -18.384 5.188 1.00 71.14 C ATOM 130 CG1 VAL A 8 -0.305 -19.474 6.248 1.00 65.32 C ATOM 131 CG2 VAL A 8 0.384 -17.123 5.729 1.00 44.42 C ATOM 0 H VAL A 8 -0.469 -17.924 2.312 1.00 72.14 H new ATOM 0 HA VAL A 8 1.522 -19.013 4.163 1.00 1.22 H new ATOM 0 HB VAL A 8 -1.299 -18.144 4.916 1.00 71.14 H new ATOM 0 HG11 VAL A 8 -0.829 -19.107 7.130 1.00 65.32 H new ATOM 0 HG12 VAL A 8 -0.824 -20.348 5.855 1.00 65.32 H new ATOM 0 HG13 VAL A 8 0.714 -19.749 6.520 1.00 65.32 H new ATOM 0 HG21 VAL A 8 -0.150 -16.789 6.619 1.00 44.42 H new ATOM 0 HG22 VAL A 8 1.422 -17.334 5.986 1.00 44.42 H new ATOM 0 HG23 VAL A 8 0.350 -16.341 4.970 1.00 44.42 H new ATOM 141 N VAL A 9 0.481 -21.301 3.950 1.00 21.43 N ATOM 142 CA VAL A 9 0.011 -22.639 3.611 1.00 62.12 C ATOM 143 C VAL A 9 -0.035 -23.535 4.844 1.00 55.43 C ATOM 144 O VAL A 9 0.799 -24.425 5.009 1.00 53.11 O ATOM 145 CB VAL A 9 0.910 -23.296 2.546 1.00 33.22 C ATOM 146 CG1 VAL A 9 2.345 -23.390 3.042 1.00 14.23 C ATOM 147 CG2 VAL A 9 0.375 -24.671 2.173 1.00 2.32 C ATOM 0 H VAL A 9 1.302 -21.283 4.555 1.00 21.43 H new ATOM 0 HA VAL A 9 -0.996 -22.528 3.209 1.00 62.12 H new ATOM 0 HB VAL A 9 0.900 -22.672 1.652 1.00 33.22 H new ATOM 0 HG11 VAL A 9 2.965 -23.857 2.276 1.00 14.23 H new ATOM 0 HG12 VAL A 9 2.723 -22.390 3.255 1.00 14.23 H new ATOM 0 HG13 VAL A 9 2.377 -23.991 3.951 1.00 14.23 H new ATOM 0 HG21 VAL A 9 1.022 -25.121 1.420 1.00 2.32 H new ATOM 0 HG22 VAL A 9 0.354 -25.306 3.059 1.00 2.32 H new ATOM 0 HG23 VAL A 9 -0.634 -24.573 1.773 1.00 2.32 H new ATOM 157 N ASP A 10 -1.016 -23.293 5.707 1.00 72.15 N ATOM 158 CA ASP A 10 -1.173 -24.079 6.925 1.00 54.11 C ATOM 159 C ASP A 10 -2.453 -24.908 6.875 1.00 21.24 C ATOM 160 O ASP A 10 -3.264 -24.763 5.960 1.00 3.35 O ATOM 161 CB ASP A 10 -1.192 -23.163 8.149 1.00 1.44 C ATOM 162 CG ASP A 10 -2.410 -22.260 8.179 1.00 61.40 C ATOM 163 OD1 ASP A 10 -2.487 -21.339 7.339 1.00 61.31 O ATOM 164 OD2 ASP A 10 -3.286 -22.476 9.042 1.00 54.24 O ATOM 0 H ASP A 10 -1.714 -22.559 5.586 1.00 72.15 H new ATOM 0 HA ASP A 10 -0.324 -24.758 7.002 1.00 54.11 H new ATOM 0 HB2 ASP A 10 -1.172 -23.770 9.054 1.00 1.44 H new ATOM 0 HB3 ASP A 10 -0.290 -22.551 8.155 1.00 1.44 H new ATOM 169 N ASP A 11 -2.626 -25.778 7.864 1.00 34.31 N ATOM 170 CA ASP A 11 -3.807 -26.631 7.934 1.00 71.34 C ATOM 171 C ASP A 11 -4.593 -26.368 9.214 1.00 21.35 C ATOM 172 O ASP A 11 -5.326 -27.234 9.693 1.00 10.44 O ATOM 173 CB ASP A 11 -3.403 -28.105 7.862 1.00 51.32 C ATOM 174 CG ASP A 11 -4.412 -28.945 7.104 1.00 30.45 C ATOM 175 OD1 ASP A 11 -5.549 -29.097 7.599 1.00 22.42 O ATOM 176 OD2 ASP A 11 -4.065 -29.451 6.017 1.00 52.34 O ATOM 0 H ASP A 11 -1.964 -25.911 8.628 1.00 34.31 H new ATOM 0 HA ASP A 11 -4.446 -26.395 7.083 1.00 71.34 H new ATOM 0 HB2 ASP A 11 -2.429 -28.189 7.380 1.00 51.32 H new ATOM 0 HB3 ASP A 11 -3.293 -28.498 8.873 1.00 51.32 H new ATOM 181 N ASP A 12 -4.434 -25.170 9.764 1.00 3.43 N ATOM 182 CA ASP A 12 -5.128 -24.792 10.990 1.00 71.30 C ATOM 183 C ASP A 12 -5.976 -23.543 10.772 1.00 42.13 C ATOM 184 O ASP A 12 -5.700 -22.742 9.879 1.00 3.40 O ATOM 185 CB ASP A 12 -4.123 -24.551 12.117 1.00 30.34 C ATOM 186 CG ASP A 12 -4.360 -25.459 13.308 1.00 21.31 C ATOM 187 OD1 ASP A 12 -5.534 -25.785 13.581 1.00 61.32 O ATOM 188 OD2 ASP A 12 -3.371 -25.843 13.968 1.00 72.21 O ATOM 0 H ASP A 12 -3.830 -24.443 9.380 1.00 3.43 H new ATOM 0 HA ASP A 12 -5.788 -25.612 11.272 1.00 71.30 H new ATOM 0 HB2 ASP A 12 -3.113 -24.709 11.739 1.00 30.34 H new ATOM 0 HB3 ASP A 12 -4.184 -23.511 12.439 1.00 30.34 H new ATOM 193 N SER A 13 -7.009 -23.384 11.592 1.00 33.34 N ATOM 194 CA SER A 13 -7.901 -22.235 11.486 1.00 25.11 C ATOM 195 C SER A 13 -7.235 -20.979 12.039 1.00 11.43 C ATOM 196 O SER A 13 -7.137 -19.961 11.353 1.00 32.32 O ATOM 197 CB SER A 13 -9.207 -22.505 12.234 1.00 33.52 C ATOM 198 OG SER A 13 -10.322 -22.028 11.502 1.00 55.13 O ATOM 0 H SER A 13 -7.250 -24.037 12.338 1.00 33.34 H new ATOM 0 HA SER A 13 -8.123 -22.074 10.431 1.00 25.11 H new ATOM 0 HB2 SER A 13 -9.314 -23.575 12.410 1.00 33.52 H new ATOM 0 HB3 SER A 13 -9.176 -22.023 13.211 1.00 33.52 H new ATOM 0 HG SER A 13 -11.145 -22.214 12.001 1.00 55.13 H new ATOM 204 N SER A 14 -6.779 -21.058 13.285 1.00 14.34 N ATOM 205 CA SER A 14 -6.126 -19.926 13.934 1.00 74.52 C ATOM 206 C SER A 14 -4.812 -19.587 13.239 1.00 44.34 C ATOM 207 O SER A 14 -4.535 -18.423 12.944 1.00 74.41 O ATOM 208 CB SER A 14 -5.871 -20.236 15.410 1.00 2.32 C ATOM 209 OG SER A 14 -7.085 -20.482 16.097 1.00 33.23 O ATOM 0 H SER A 14 -6.849 -21.894 13.866 1.00 14.34 H new ATOM 0 HA SER A 14 -6.789 -19.064 13.861 1.00 74.52 H new ATOM 0 HB2 SER A 14 -5.219 -21.105 15.495 1.00 2.32 H new ATOM 0 HB3 SER A 14 -5.349 -19.400 15.875 1.00 2.32 H new ATOM 0 HG SER A 14 -6.894 -20.679 17.038 1.00 33.23 H new ATOM 215 N ILE A 15 -4.005 -20.610 12.980 1.00 62.22 N ATOM 216 CA ILE A 15 -2.720 -20.421 12.319 1.00 64.04 C ATOM 217 C ILE A 15 -2.859 -19.526 11.092 1.00 71.12 C ATOM 218 O ILE A 15 -2.120 -18.554 10.933 1.00 74.34 O ATOM 219 CB ILE A 15 -2.103 -21.766 11.892 1.00 61.15 C ATOM 220 CG1 ILE A 15 -1.807 -22.629 13.120 1.00 64.02 C ATOM 221 CG2 ILE A 15 -0.836 -21.534 11.082 1.00 62.50 C ATOM 222 CD1 ILE A 15 -0.857 -21.978 14.101 1.00 14.31 C ATOM 0 H ILE A 15 -4.218 -21.579 13.218 1.00 62.22 H new ATOM 0 HA ILE A 15 -2.061 -19.942 13.043 1.00 64.04 H new ATOM 0 HB ILE A 15 -2.820 -22.295 11.264 1.00 61.15 H new ATOM 0 HG12 ILE A 15 -2.744 -22.855 13.629 1.00 64.02 H new ATOM 0 HG13 ILE A 15 -1.384 -23.579 12.793 1.00 64.02 H new ATOM 0 HG21 ILE A 15 -0.412 -22.494 10.788 1.00 62.50 H new ATOM 0 HG22 ILE A 15 -1.075 -20.954 10.191 1.00 62.50 H new ATOM 0 HG23 ILE A 15 -0.112 -20.988 11.687 1.00 62.50 H new ATOM 0 HD11 ILE A 15 -0.693 -22.646 14.946 1.00 14.31 H new ATOM 0 HD12 ILE A 15 0.094 -21.776 13.608 1.00 14.31 H new ATOM 0 HD13 ILE A 15 -1.287 -21.042 14.457 1.00 14.31 H new ATOM 234 N ARG A 16 -3.812 -19.860 10.228 1.00 14.10 N ATOM 235 CA ARG A 16 -4.050 -19.086 9.015 1.00 24.23 C ATOM 236 C ARG A 16 -4.754 -17.772 9.338 1.00 12.22 C ATOM 237 O ARG A 16 -4.655 -16.802 8.586 1.00 30.13 O ATOM 238 CB ARG A 16 -4.887 -19.896 8.024 1.00 50.02 C ATOM 239 CG ARG A 16 -6.376 -19.598 8.098 1.00 44.21 C ATOM 240 CD ARG A 16 -7.183 -20.582 7.266 1.00 21.33 C ATOM 241 NE ARG A 16 -8.164 -19.908 6.421 1.00 75.44 N ATOM 242 CZ ARG A 16 -9.342 -19.478 6.861 1.00 63.25 C ATOM 243 NH1 ARG A 16 -9.682 -19.651 8.130 1.00 2.54 N ATOM 244 NH2 ARG A 16 -10.181 -18.874 6.030 1.00 54.23 N ATOM 0 H ARG A 16 -4.432 -20.661 10.345 1.00 14.10 H new ATOM 0 HA ARG A 16 -3.084 -18.859 8.563 1.00 24.23 H new ATOM 0 HB2 ARG A 16 -4.534 -19.693 7.013 1.00 50.02 H new ATOM 0 HB3 ARG A 16 -4.728 -20.958 8.210 1.00 50.02 H new ATOM 0 HG2 ARG A 16 -6.706 -19.641 9.136 1.00 44.21 H new ATOM 0 HG3 ARG A 16 -6.563 -18.583 7.746 1.00 44.21 H new ATOM 0 HD2 ARG A 16 -6.508 -21.168 6.642 1.00 21.33 H new ATOM 0 HD3 ARG A 16 -7.694 -21.282 7.927 1.00 21.33 H new ATOM 0 HE ARG A 16 -7.933 -19.759 5.439 1.00 75.44 H new ATOM 0 HH11 ARG A 16 -9.039 -20.115 8.772 1.00 2.54 H new ATOM 0 HH12 ARG A 16 -10.587 -19.320 8.465 1.00 2.54 H new ATOM 0 HH21 ARG A 16 -9.922 -18.739 5.053 1.00 54.23 H new ATOM 0 HH22 ARG A 16 -11.085 -18.544 6.368 1.00 54.23 H new ATOM 258 N TRP A 17 -5.465 -17.748 10.460 1.00 51.14 N ATOM 259 CA TRP A 17 -6.187 -16.553 10.881 1.00 1.34 C ATOM 260 C TRP A 17 -5.219 -15.452 11.302 1.00 60.31 C ATOM 261 O TRP A 17 -5.120 -14.415 10.646 1.00 31.11 O ATOM 262 CB TRP A 17 -7.134 -16.885 12.036 1.00 42.41 C ATOM 263 CG TRP A 17 -7.696 -15.670 12.711 1.00 75.35 C ATOM 264 CD1 TRP A 17 -8.739 -14.902 12.278 1.00 14.12 C ATOM 265 CD2 TRP A 17 -7.245 -15.084 13.936 1.00 20.44 C ATOM 266 NE1 TRP A 17 -8.963 -13.873 13.162 1.00 75.54 N ATOM 267 CE2 TRP A 17 -8.061 -13.964 14.188 1.00 44.23 C ATOM 268 CE3 TRP A 17 -6.233 -15.398 14.847 1.00 23.42 C ATOM 269 CZ2 TRP A 17 -7.892 -13.158 15.311 1.00 55.03 C ATOM 270 CZ3 TRP A 17 -6.067 -14.597 15.961 1.00 61.50 C ATOM 271 CH2 TRP A 17 -6.894 -13.489 16.186 1.00 44.44 C ATOM 0 H TRP A 17 -5.557 -18.542 11.094 1.00 51.14 H new ATOM 0 HA TRP A 17 -6.770 -16.194 10.033 1.00 1.34 H new ATOM 0 HB2 TRP A 17 -7.955 -17.495 11.659 1.00 42.41 H new ATOM 0 HB3 TRP A 17 -6.601 -17.487 12.772 1.00 42.41 H new ATOM 0 HD1 TRP A 17 -9.304 -15.077 11.375 1.00 14.12 H new ATOM 0 HE1 TRP A 17 -9.684 -13.158 13.069 1.00 75.54 H new ATOM 0 HE3 TRP A 17 -5.592 -16.252 14.683 1.00 23.42 H new ATOM 0 HZ2 TRP A 17 -8.527 -12.302 15.485 1.00 55.03 H new ATOM 0 HZ3 TRP A 17 -5.286 -14.829 16.670 1.00 61.50 H new ATOM 0 HH2 TRP A 17 -6.741 -12.884 17.068 1.00 44.44 H new ATOM 282 N VAL A 18 -4.506 -15.685 12.399 1.00 1.44 N ATOM 283 CA VAL A 18 -3.544 -14.713 12.906 1.00 13.13 C ATOM 284 C VAL A 18 -2.621 -14.223 11.796 1.00 13.33 C ATOM 285 O VAL A 18 -2.337 -13.029 11.692 1.00 55.41 O ATOM 286 CB VAL A 18 -2.692 -15.308 14.043 1.00 45.52 C ATOM 287 CG1 VAL A 18 -2.433 -16.786 13.799 1.00 63.43 C ATOM 288 CG2 VAL A 18 -1.383 -14.545 14.182 1.00 42.55 C ATOM 0 H VAL A 18 -4.576 -16.538 12.954 1.00 1.44 H new ATOM 0 HA VAL A 18 -4.118 -13.872 13.294 1.00 13.13 H new ATOM 0 HB VAL A 18 -3.245 -15.210 14.977 1.00 45.52 H new ATOM 0 HG11 VAL A 18 -1.830 -17.189 14.613 1.00 63.43 H new ATOM 0 HG12 VAL A 18 -3.383 -17.319 13.753 1.00 63.43 H new ATOM 0 HG13 VAL A 18 -1.901 -16.911 12.856 1.00 63.43 H new ATOM 0 HG21 VAL A 18 -0.793 -14.978 14.990 1.00 42.55 H new ATOM 0 HG22 VAL A 18 -0.823 -14.610 13.249 1.00 42.55 H new ATOM 0 HG23 VAL A 18 -1.593 -13.499 14.407 1.00 42.55 H new ATOM 298 N LEU A 19 -2.156 -15.151 10.968 1.00 23.45 N ATOM 299 CA LEU A 19 -1.264 -14.814 9.864 1.00 32.30 C ATOM 300 C LEU A 19 -1.950 -13.875 8.878 1.00 53.43 C ATOM 301 O LEU A 19 -1.291 -13.115 8.169 1.00 61.23 O ATOM 302 CB LEU A 19 -0.810 -16.085 9.144 1.00 44.24 C ATOM 303 CG LEU A 19 0.170 -16.976 9.908 1.00 11.02 C ATOM 304 CD1 LEU A 19 0.222 -18.365 9.290 1.00 2.43 C ATOM 305 CD2 LEU A 19 1.556 -16.348 9.931 1.00 12.14 C ATOM 0 H LEU A 19 -2.382 -16.143 11.040 1.00 23.45 H new ATOM 0 HA LEU A 19 -0.392 -14.305 10.275 1.00 32.30 H new ATOM 0 HB2 LEU A 19 -1.693 -16.676 8.901 1.00 44.24 H new ATOM 0 HB3 LEU A 19 -0.348 -15.798 8.199 1.00 44.24 H new ATOM 0 HG LEU A 19 -0.181 -17.071 10.936 1.00 11.02 H new ATOM 0 HD11 LEU A 19 0.925 -18.985 9.847 1.00 2.43 H new ATOM 0 HD12 LEU A 19 -0.769 -18.817 9.327 1.00 2.43 H new ATOM 0 HD13 LEU A 19 0.548 -18.290 8.253 1.00 2.43 H new ATOM 0 HD21 LEU A 19 2.240 -16.996 10.479 1.00 12.14 H new ATOM 0 HD22 LEU A 19 1.915 -16.222 8.910 1.00 12.14 H new ATOM 0 HD23 LEU A 19 1.507 -15.376 10.421 1.00 12.14 H new ATOM 317 N GLU A 20 -3.278 -13.931 8.840 1.00 0.23 N ATOM 318 CA GLU A 20 -4.053 -13.083 7.942 1.00 63.23 C ATOM 319 C GLU A 20 -4.240 -11.690 8.535 1.00 42.45 C ATOM 320 O GLU A 20 -4.059 -10.683 7.849 1.00 14.25 O ATOM 321 CB GLU A 20 -5.417 -13.716 7.657 1.00 3.25 C ATOM 322 CG GLU A 20 -5.873 -13.557 6.217 1.00 12.30 C ATOM 323 CD GLU A 20 -7.078 -12.645 6.084 1.00 24.10 C ATOM 324 OE1 GLU A 20 -7.119 -11.612 6.784 1.00 43.51 O ATOM 325 OE2 GLU A 20 -7.979 -12.965 5.281 1.00 43.00 O ATOM 0 H GLU A 20 -3.839 -14.554 9.420 1.00 0.23 H new ATOM 0 HA GLU A 20 -3.502 -12.989 7.006 1.00 63.23 H new ATOM 0 HB2 GLU A 20 -5.373 -14.778 7.900 1.00 3.25 H new ATOM 0 HB3 GLU A 20 -6.161 -13.268 8.316 1.00 3.25 H new ATOM 0 HG2 GLU A 20 -5.052 -13.157 5.622 1.00 12.30 H new ATOM 0 HG3 GLU A 20 -6.117 -14.537 5.807 1.00 12.30 H new ATOM 332 N ARG A 21 -4.603 -11.640 9.812 1.00 71.40 N ATOM 333 CA ARG A 21 -4.817 -10.371 10.497 1.00 23.32 C ATOM 334 C ARG A 21 -3.577 -9.487 10.403 1.00 63.13 C ATOM 335 O ARG A 21 -3.679 -8.278 10.197 1.00 65.22 O ATOM 336 CB ARG A 21 -5.173 -10.614 11.965 1.00 2.50 C ATOM 337 CG ARG A 21 -6.221 -11.695 12.167 1.00 72.41 C ATOM 338 CD ARG A 21 -7.440 -11.461 11.288 1.00 63.33 C ATOM 339 NE ARG A 21 -7.887 -10.072 11.331 1.00 41.33 N ATOM 340 CZ ARG A 21 -8.755 -9.552 10.470 1.00 42.01 C ATOM 341 NH1 ARG A 21 -9.267 -10.303 9.504 1.00 4.14 N ATOM 342 NH2 ARG A 21 -9.113 -8.279 10.574 1.00 1.41 N ATOM 0 H ARG A 21 -4.755 -12.464 10.394 1.00 71.40 H new ATOM 0 HA ARG A 21 -5.646 -9.858 10.009 1.00 23.32 H new ATOM 0 HB2 ARG A 21 -4.269 -10.890 12.508 1.00 2.50 H new ATOM 0 HB3 ARG A 21 -5.535 -9.683 12.401 1.00 2.50 H new ATOM 0 HG2 ARG A 21 -5.789 -12.669 11.939 1.00 72.41 H new ATOM 0 HG3 ARG A 21 -6.525 -11.718 13.214 1.00 72.41 H new ATOM 0 HD2 ARG A 21 -7.203 -11.734 10.260 1.00 63.33 H new ATOM 0 HD3 ARG A 21 -8.251 -12.113 11.612 1.00 63.33 H new ATOM 0 HE ARG A 21 -7.512 -9.468 12.062 1.00 41.33 H new ATOM 0 HH11 ARG A 21 -8.995 -11.282 9.421 1.00 4.14 H new ATOM 0 HH12 ARG A 21 -9.933 -9.901 8.844 1.00 4.14 H new ATOM 0 HH21 ARG A 21 -8.722 -7.698 11.316 1.00 1.41 H new ATOM 0 HH22 ARG A 21 -9.779 -7.881 9.912 1.00 1.41 H new ATOM 356 N ALA A 22 -2.407 -10.099 10.555 1.00 21.13 N ATOM 357 CA ALA A 22 -1.148 -9.368 10.486 1.00 64.32 C ATOM 358 C ALA A 22 -1.088 -8.495 9.237 1.00 21.01 C ATOM 359 O ALA A 22 -0.956 -7.274 9.327 1.00 45.32 O ATOM 360 CB ALA A 22 0.026 -10.336 10.512 1.00 3.22 C ATOM 0 H ALA A 22 -2.305 -11.099 10.727 1.00 21.13 H new ATOM 0 HA ALA A 22 -1.087 -8.716 11.357 1.00 64.32 H new ATOM 0 HB1 ALA A 22 0.960 -9.777 10.460 1.00 3.22 H new ATOM 0 HB2 ALA A 22 0.000 -10.914 11.436 1.00 3.22 H new ATOM 0 HB3 ALA A 22 -0.040 -11.011 9.659 1.00 3.22 H new ATOM 366 N LEU A 23 -1.185 -9.128 8.073 1.00 14.12 N ATOM 367 CA LEU A 23 -1.142 -8.408 6.805 1.00 23.20 C ATOM 368 C LEU A 23 -2.410 -7.586 6.602 1.00 73.15 C ATOM 369 O LEU A 23 -2.365 -6.480 6.064 1.00 14.13 O ATOM 370 CB LEU A 23 -0.965 -9.390 5.645 1.00 2.40 C ATOM 371 CG LEU A 23 0.084 -10.484 5.846 1.00 41.02 C ATOM 372 CD1 LEU A 23 -0.093 -11.589 4.816 1.00 54.21 C ATOM 373 CD2 LEU A 23 1.487 -9.899 5.767 1.00 72.21 C ATOM 0 H LEU A 23 -1.294 -10.138 7.981 1.00 14.12 H new ATOM 0 HA LEU A 23 -0.291 -7.727 6.830 1.00 23.20 H new ATOM 0 HB2 LEU A 23 -1.925 -9.867 5.449 1.00 2.40 H new ATOM 0 HB3 LEU A 23 -0.703 -8.823 4.752 1.00 2.40 H new ATOM 0 HG LEU A 23 -0.053 -10.914 6.838 1.00 41.02 H new ATOM 0 HD11 LEU A 23 0.662 -12.359 4.975 1.00 54.21 H new ATOM 0 HD12 LEU A 23 -1.085 -12.028 4.920 1.00 54.21 H new ATOM 0 HD13 LEU A 23 0.017 -11.174 3.814 1.00 54.21 H new ATOM 0 HD21 LEU A 23 2.221 -10.692 5.912 1.00 72.21 H new ATOM 0 HD22 LEU A 23 1.636 -9.442 4.789 1.00 72.21 H new ATOM 0 HD23 LEU A 23 1.611 -9.144 6.543 1.00 72.21 H new ATOM 385 N ALA A 24 -3.540 -8.134 7.037 1.00 54.15 N ATOM 386 CA ALA A 24 -4.821 -7.450 6.906 1.00 3.50 C ATOM 387 C ALA A 24 -4.734 -6.018 7.425 1.00 64.31 C ATOM 388 O ALA A 24 -5.380 -5.115 6.895 1.00 23.23 O ATOM 389 CB ALA A 24 -5.907 -8.216 7.646 1.00 23.12 C ATOM 0 H ALA A 24 -3.594 -9.050 7.483 1.00 54.15 H new ATOM 0 HA ALA A 24 -5.077 -7.411 5.847 1.00 3.50 H new ATOM 0 HB1 ALA A 24 -6.858 -7.694 7.539 1.00 23.12 H new ATOM 0 HB2 ALA A 24 -5.995 -9.218 7.227 1.00 23.12 H new ATOM 0 HB3 ALA A 24 -5.648 -8.286 8.702 1.00 23.12 H new ATOM 395 N GLY A 25 -3.930 -5.819 8.465 1.00 12.45 N ATOM 396 CA GLY A 25 -3.774 -4.495 9.039 1.00 14.40 C ATOM 397 C GLY A 25 -2.700 -3.684 8.342 1.00 1.31 C ATOM 398 O GLY A 25 -2.710 -2.454 8.393 1.00 60.22 O ATOM 0 H GLY A 25 -3.384 -6.551 8.920 1.00 12.45 H new ATOM 0 HA2 GLY A 25 -4.723 -3.962 8.979 1.00 14.40 H new ATOM 0 HA3 GLY A 25 -3.526 -4.588 10.096 1.00 14.40 H new ATOM 402 N ALA A 26 -1.769 -4.373 7.691 1.00 72.53 N ATOM 403 CA ALA A 26 -0.683 -3.709 6.981 1.00 73.44 C ATOM 404 C ALA A 26 -1.045 -3.477 5.518 1.00 54.53 C ATOM 405 O ALA A 26 -2.195 -3.654 5.117 1.00 63.43 O ATOM 406 CB ALA A 26 0.595 -4.528 7.086 1.00 32.21 C ATOM 0 H ALA A 26 -1.745 -5.391 7.641 1.00 72.53 H new ATOM 0 HA ALA A 26 -0.518 -2.737 7.447 1.00 73.44 H new ATOM 0 HB1 ALA A 26 1.398 -4.020 6.551 1.00 32.21 H new ATOM 0 HB2 ALA A 26 0.871 -4.639 8.135 1.00 32.21 H new ATOM 0 HB3 ALA A 26 0.433 -5.513 6.647 1.00 32.21 H new ATOM 412 N GLY A 27 -0.056 -3.077 4.724 1.00 12.42 N ATOM 413 CA GLY A 27 -0.292 -2.825 3.315 1.00 64.05 C ATOM 414 C GLY A 27 0.219 -3.947 2.432 1.00 11.12 C ATOM 415 O GLY A 27 0.852 -3.700 1.405 1.00 52.12 O ATOM 0 H GLY A 27 0.904 -2.923 5.032 1.00 12.42 H new ATOM 0 HA2 GLY A 27 -1.361 -2.692 3.147 1.00 64.05 H new ATOM 0 HA3 GLY A 27 0.194 -1.892 3.029 1.00 64.05 H new ATOM 419 N LEU A 28 -0.054 -5.184 2.833 1.00 13.51 N ATOM 420 CA LEU A 28 0.383 -6.349 2.072 1.00 2.22 C ATOM 421 C LEU A 28 -0.746 -7.365 1.935 1.00 51.11 C ATOM 422 O LEU A 28 -1.459 -7.652 2.897 1.00 23.14 O ATOM 423 CB LEU A 28 1.591 -7.000 2.748 1.00 10.14 C ATOM 424 CG LEU A 28 2.153 -6.268 3.968 1.00 70.13 C ATOM 425 CD1 LEU A 28 3.072 -7.183 4.763 1.00 54.12 C ATOM 426 CD2 LEU A 28 2.892 -5.008 3.540 1.00 73.31 C ATOM 0 H LEU A 28 -0.576 -5.406 3.681 1.00 13.51 H new ATOM 0 HA LEU A 28 0.669 -6.015 1.075 1.00 2.22 H new ATOM 0 HB2 LEU A 28 1.312 -8.009 3.051 1.00 10.14 H new ATOM 0 HB3 LEU A 28 2.387 -7.097 2.009 1.00 10.14 H new ATOM 0 HG LEU A 28 1.321 -5.977 4.609 1.00 70.13 H new ATOM 0 HD11 LEU A 28 3.462 -6.645 5.627 1.00 54.12 H new ATOM 0 HD12 LEU A 28 2.513 -8.056 5.101 1.00 54.12 H new ATOM 0 HD13 LEU A 28 3.900 -7.505 4.132 1.00 54.12 H new ATOM 0 HD21 LEU A 28 3.285 -4.500 4.421 1.00 73.31 H new ATOM 0 HD22 LEU A 28 3.715 -5.276 2.878 1.00 73.31 H new ATOM 0 HD23 LEU A 28 2.205 -4.344 3.014 1.00 73.31 H new ATOM 438 N THR A 29 -0.903 -7.909 0.732 1.00 53.51 N ATOM 439 CA THR A 29 -1.945 -8.893 0.468 1.00 24.53 C ATOM 440 C THR A 29 -1.797 -10.107 1.379 1.00 11.23 C ATOM 441 O THR A 29 -0.718 -10.367 1.913 1.00 42.33 O ATOM 442 CB THR A 29 -1.917 -9.361 -0.999 1.00 72.11 C ATOM 443 OG1 THR A 29 -1.767 -8.234 -1.870 1.00 22.24 O ATOM 444 CG2 THR A 29 -3.191 -10.114 -1.351 1.00 54.20 C ATOM 0 H THR A 29 -0.321 -7.684 -0.075 1.00 53.51 H new ATOM 0 HA THR A 29 -2.899 -8.405 0.668 1.00 24.53 H new ATOM 0 HB THR A 29 -1.069 -10.034 -1.127 1.00 72.11 H new ATOM 0 HG1 THR A 29 -1.620 -8.547 -2.787 1.00 22.24 H new ATOM 0 HG21 THR A 29 -3.148 -10.435 -2.392 1.00 54.20 H new ATOM 0 HG22 THR A 29 -3.287 -10.987 -0.706 1.00 54.20 H new ATOM 0 HG23 THR A 29 -4.051 -9.460 -1.208 1.00 54.20 H new ATOM 452 N CYS A 30 -2.887 -10.846 1.553 1.00 62.22 N ATOM 453 CA CYS A 30 -2.878 -12.033 2.400 1.00 32.43 C ATOM 454 C CYS A 30 -3.576 -13.200 1.709 1.00 62.23 C ATOM 455 O CYS A 30 -4.761 -13.125 1.384 1.00 74.30 O ATOM 456 CB CYS A 30 -3.559 -11.736 3.737 1.00 31.10 C ATOM 457 SG CYS A 30 -5.196 -10.985 3.581 1.00 74.15 S ATOM 0 H CYS A 30 -3.788 -10.644 1.119 1.00 62.22 H new ATOM 0 HA CYS A 30 -1.840 -12.311 2.582 1.00 32.43 H new ATOM 0 HB2 CYS A 30 -3.649 -12.665 4.301 1.00 31.10 H new ATOM 0 HB3 CYS A 30 -2.920 -11.071 4.318 1.00 31.10 H new ATOM 0 HG CYS A 30 -5.831 -11.531 2.586 1.00 74.15 H new ATOM 463 N THR A 31 -2.832 -14.279 1.484 1.00 2.11 N ATOM 464 CA THR A 31 -3.377 -15.461 0.828 1.00 14.44 C ATOM 465 C THR A 31 -3.150 -16.711 1.671 1.00 53.24 C ATOM 466 O THR A 31 -2.016 -17.157 1.846 1.00 61.13 O ATOM 467 CB THR A 31 -2.750 -15.671 -0.562 1.00 61.45 C ATOM 468 OG1 THR A 31 -2.665 -14.422 -1.256 1.00 55.43 O ATOM 469 CG2 THR A 31 -3.569 -16.658 -1.382 1.00 3.34 C ATOM 0 H THR A 31 -1.850 -14.358 1.747 1.00 2.11 H new ATOM 0 HA THR A 31 -4.448 -15.294 0.713 1.00 14.44 H new ATOM 0 HB THR A 31 -1.748 -16.079 -0.426 1.00 61.45 H new ATOM 0 HG1 THR A 31 -1.735 -14.254 -1.514 1.00 55.43 H new ATOM 0 HG21 THR A 31 -3.107 -16.790 -2.360 1.00 3.34 H new ATOM 0 HG22 THR A 31 -3.606 -17.617 -0.866 1.00 3.34 H new ATOM 0 HG23 THR A 31 -4.581 -16.274 -1.508 1.00 3.34 H new ATOM 477 N THR A 32 -4.237 -17.274 2.191 1.00 45.22 N ATOM 478 CA THR A 32 -4.156 -18.473 3.015 1.00 3.12 C ATOM 479 C THR A 32 -4.586 -19.708 2.233 1.00 61.33 C ATOM 480 O THR A 32 -5.652 -19.726 1.618 1.00 55.20 O ATOM 481 CB THR A 32 -5.031 -18.347 4.276 1.00 20.55 C ATOM 482 OG1 THR A 32 -6.415 -18.312 3.911 1.00 40.43 O ATOM 483 CG2 THR A 32 -4.675 -17.093 5.059 1.00 14.44 C ATOM 0 H THR A 32 -5.183 -16.918 2.056 1.00 45.22 H new ATOM 0 HA THR A 32 -3.113 -18.581 3.314 1.00 3.12 H new ATOM 0 HB THR A 32 -4.845 -19.215 4.908 1.00 20.55 H new ATOM 0 HG1 THR A 32 -6.523 -18.668 3.004 1.00 40.43 H new ATOM 0 HG21 THR A 32 -5.306 -17.026 5.945 1.00 14.44 H new ATOM 0 HG22 THR A 32 -3.629 -17.138 5.361 1.00 14.44 H new ATOM 0 HG23 THR A 32 -4.835 -16.215 4.433 1.00 14.44 H new ATOM 491 N PHE A 33 -3.750 -20.741 2.260 1.00 41.12 N ATOM 492 CA PHE A 33 -4.044 -21.982 1.552 1.00 12.42 C ATOM 493 C PHE A 33 -4.233 -23.135 2.533 1.00 61.43 C ATOM 494 O PHE A 33 -4.284 -22.931 3.745 1.00 54.41 O ATOM 495 CB PHE A 33 -2.919 -22.312 0.569 1.00 54.21 C ATOM 496 CG PHE A 33 -2.758 -21.292 -0.522 1.00 3.44 C ATOM 497 CD1 PHE A 33 -3.540 -21.349 -1.664 1.00 21.03 C ATOM 498 CD2 PHE A 33 -1.823 -20.275 -0.405 1.00 20.44 C ATOM 499 CE1 PHE A 33 -3.394 -20.412 -2.669 1.00 1.40 C ATOM 500 CE2 PHE A 33 -1.673 -19.335 -1.406 1.00 61.02 C ATOM 501 CZ PHE A 33 -2.458 -19.404 -2.540 1.00 54.13 C ATOM 0 H PHE A 33 -2.864 -20.743 2.765 1.00 41.12 H new ATOM 0 HA PHE A 33 -4.972 -21.844 0.997 1.00 12.42 H new ATOM 0 HB2 PHE A 33 -1.981 -22.397 1.118 1.00 54.21 H new ATOM 0 HB3 PHE A 33 -3.114 -23.286 0.119 1.00 54.21 H new ATOM 0 HD1 PHE A 33 -4.273 -22.135 -1.770 1.00 21.03 H new ATOM 0 HD2 PHE A 33 -1.205 -20.217 0.479 1.00 20.44 H new ATOM 0 HE1 PHE A 33 -4.011 -20.468 -3.554 1.00 1.40 H new ATOM 0 HE2 PHE A 33 -0.942 -18.547 -1.302 1.00 61.02 H new ATOM 0 HZ PHE A 33 -2.340 -18.671 -3.325 1.00 54.13 H new ATOM 511 N GLU A 34 -4.336 -24.348 1.998 1.00 63.03 N ATOM 512 CA GLU A 34 -4.520 -25.534 2.825 1.00 32.34 C ATOM 513 C GLU A 34 -3.747 -26.720 2.257 1.00 64.34 C ATOM 514 O GLU A 34 -3.967 -27.865 2.650 1.00 1.33 O ATOM 515 CB GLU A 34 -6.006 -25.884 2.931 1.00 52.22 C ATOM 516 CG GLU A 34 -6.737 -25.840 1.600 1.00 75.44 C ATOM 517 CD GLU A 34 -7.646 -27.037 1.394 1.00 61.02 C ATOM 518 OE1 GLU A 34 -7.127 -28.131 1.090 1.00 71.24 O ATOM 519 OE2 GLU A 34 -8.876 -26.878 1.537 1.00 34.55 O ATOM 0 H GLU A 34 -4.295 -24.534 0.996 1.00 63.03 H new ATOM 0 HA GLU A 34 -4.134 -25.314 3.820 1.00 32.34 H new ATOM 0 HB2 GLU A 34 -6.106 -26.882 3.358 1.00 52.22 H new ATOM 0 HB3 GLU A 34 -6.486 -25.191 3.623 1.00 52.22 H new ATOM 0 HG2 GLU A 34 -7.328 -24.926 1.544 1.00 75.44 H new ATOM 0 HG3 GLU A 34 -6.008 -25.798 0.791 1.00 75.44 H new ATOM 526 N ASN A 35 -2.840 -26.437 1.327 1.00 3.23 N ATOM 527 CA ASN A 35 -2.034 -27.480 0.703 1.00 43.53 C ATOM 528 C ASN A 35 -0.859 -26.875 -0.061 1.00 75.12 C ATOM 529 O ASN A 35 -1.047 -26.089 -0.988 1.00 53.34 O ATOM 530 CB ASN A 35 -2.894 -28.320 -0.243 1.00 43.03 C ATOM 531 CG ASN A 35 -2.116 -29.459 -0.873 1.00 60.32 C ATOM 532 OD1 ASN A 35 -0.958 -29.699 -0.530 1.00 72.44 O ATOM 533 ND2 ASN A 35 -2.751 -30.167 -1.800 1.00 63.41 N ATOM 0 H ASN A 35 -2.645 -25.494 0.989 1.00 3.23 H new ATOM 0 HA ASN A 35 -1.640 -28.122 1.491 1.00 43.53 H new ATOM 0 HB2 ASN A 35 -3.744 -28.724 0.306 1.00 43.03 H new ATOM 0 HB3 ASN A 35 -3.297 -27.680 -1.028 1.00 43.03 H new ATOM 0 HD21 ASN A 35 -2.279 -30.946 -2.259 1.00 63.41 H new ATOM 0 HD22 ASN A 35 -3.711 -29.932 -2.053 1.00 63.41 H new ATOM 540 N GLY A 36 0.353 -27.249 0.335 1.00 23.43 N ATOM 541 CA GLY A 36 1.540 -26.735 -0.323 1.00 23.45 C ATOM 542 C GLY A 36 1.499 -26.926 -1.826 1.00 15.13 C ATOM 543 O GLY A 36 1.877 -26.033 -2.582 1.00 3.51 O ATOM 0 H GLY A 36 0.535 -27.899 1.100 1.00 23.43 H new ATOM 0 HA2 GLY A 36 1.646 -25.674 -0.098 1.00 23.45 H new ATOM 0 HA3 GLY A 36 2.420 -27.236 0.080 1.00 23.45 H new ATOM 547 N ASN A 37 1.038 -28.095 -2.260 1.00 1.40 N ATOM 548 CA ASN A 37 0.951 -28.400 -3.683 1.00 75.43 C ATOM 549 C ASN A 37 0.044 -27.404 -4.399 1.00 53.10 C ATOM 550 O ASN A 37 0.126 -27.238 -5.615 1.00 44.24 O ATOM 551 CB ASN A 37 0.427 -29.823 -3.889 1.00 75.12 C ATOM 552 CG ASN A 37 -0.038 -30.068 -5.312 1.00 14.32 C ATOM 553 OD1 ASN A 37 0.753 -30.431 -6.182 1.00 24.14 O ATOM 554 ND2 ASN A 37 -1.329 -29.869 -5.555 1.00 3.42 N ATOM 0 H ASN A 37 0.719 -28.845 -1.647 1.00 1.40 H new ATOM 0 HA ASN A 37 1.952 -28.323 -4.108 1.00 75.43 H new ATOM 0 HB2 ASN A 37 1.212 -30.536 -3.638 1.00 75.12 H new ATOM 0 HB3 ASN A 37 -0.400 -30.006 -3.203 1.00 75.12 H new ATOM 0 HD21 ASN A 37 -1.700 -30.017 -6.493 1.00 3.42 H new ATOM 0 HD22 ASN A 37 -1.949 -29.568 -4.803 1.00 3.42 H new ATOM 561 N GLU A 38 -0.820 -26.743 -3.635 1.00 35.44 N ATOM 562 CA GLU A 38 -1.743 -25.764 -4.196 1.00 43.44 C ATOM 563 C GLU A 38 -1.122 -24.369 -4.196 1.00 30.52 C ATOM 564 O GLU A 38 -1.548 -23.487 -4.941 1.00 74.54 O ATOM 565 CB GLU A 38 -3.053 -25.751 -3.406 1.00 5.04 C ATOM 566 CG GLU A 38 -4.293 -25.734 -4.283 1.00 30.31 C ATOM 567 CD GLU A 38 -5.556 -26.070 -3.514 1.00 20.12 C ATOM 568 OE1 GLU A 38 -5.657 -27.206 -3.005 1.00 12.32 O ATOM 569 OE2 GLU A 38 -6.443 -25.196 -3.421 1.00 33.01 O ATOM 0 H GLU A 38 -0.900 -26.868 -2.626 1.00 35.44 H new ATOM 0 HA GLU A 38 -1.953 -26.050 -5.227 1.00 43.44 H new ATOM 0 HB2 GLU A 38 -3.087 -26.629 -2.761 1.00 5.04 H new ATOM 0 HB3 GLU A 38 -3.066 -24.876 -2.756 1.00 5.04 H new ATOM 0 HG2 GLU A 38 -4.399 -24.748 -4.736 1.00 30.31 H new ATOM 0 HG3 GLU A 38 -4.167 -26.447 -5.097 1.00 30.31 H new ATOM 576 N VAL A 39 -0.112 -24.178 -3.353 1.00 32.03 N ATOM 577 CA VAL A 39 0.568 -22.892 -3.254 1.00 62.33 C ATOM 578 C VAL A 39 1.731 -22.809 -4.237 1.00 32.20 C ATOM 579 O VAL A 39 1.957 -21.772 -4.862 1.00 23.13 O ATOM 580 CB VAL A 39 1.097 -22.645 -1.829 1.00 15.51 C ATOM 581 CG1 VAL A 39 1.505 -21.190 -1.656 1.00 11.50 C ATOM 582 CG2 VAL A 39 0.051 -23.039 -0.797 1.00 75.54 C ATOM 0 H VAL A 39 0.253 -24.897 -2.729 1.00 32.03 H new ATOM 0 HA VAL A 39 -0.167 -22.125 -3.499 1.00 62.33 H new ATOM 0 HB VAL A 39 1.979 -23.266 -1.675 1.00 15.51 H new ATOM 0 HG11 VAL A 39 1.876 -21.034 -0.643 1.00 11.50 H new ATOM 0 HG12 VAL A 39 2.290 -20.945 -2.372 1.00 11.50 H new ATOM 0 HG13 VAL A 39 0.642 -20.547 -1.829 1.00 11.50 H new ATOM 0 HG21 VAL A 39 0.442 -22.858 0.204 1.00 75.54 H new ATOM 0 HG22 VAL A 39 -0.851 -22.445 -0.948 1.00 75.54 H new ATOM 0 HG23 VAL A 39 -0.189 -24.097 -0.907 1.00 75.54 H new ATOM 592 N LEU A 40 2.465 -23.908 -4.370 1.00 24.11 N ATOM 593 CA LEU A 40 3.606 -23.961 -5.278 1.00 11.20 C ATOM 594 C LEU A 40 3.225 -23.443 -6.661 1.00 41.31 C ATOM 595 O LEU A 40 3.973 -22.685 -7.279 1.00 21.43 O ATOM 596 CB LEU A 40 4.132 -25.393 -5.384 1.00 64.04 C ATOM 597 CG LEU A 40 4.802 -25.765 -6.708 1.00 31.42 C ATOM 598 CD1 LEU A 40 5.931 -24.797 -7.026 1.00 32.42 C ATOM 599 CD2 LEU A 40 5.321 -27.195 -6.659 1.00 74.23 C ATOM 0 H LEU A 40 2.291 -24.774 -3.861 1.00 24.11 H new ATOM 0 HA LEU A 40 4.391 -23.321 -4.874 1.00 11.20 H new ATOM 0 HB2 LEU A 40 4.848 -25.556 -4.579 1.00 64.04 H new ATOM 0 HB3 LEU A 40 3.301 -26.078 -5.215 1.00 64.04 H new ATOM 0 HG LEU A 40 4.058 -25.696 -7.502 1.00 31.42 H new ATOM 0 HD11 LEU A 40 6.396 -25.078 -7.971 1.00 32.42 H new ATOM 0 HD12 LEU A 40 5.532 -23.786 -7.104 1.00 32.42 H new ATOM 0 HD13 LEU A 40 6.676 -24.833 -6.231 1.00 32.42 H new ATOM 0 HD21 LEU A 40 5.795 -27.443 -7.609 1.00 74.23 H new ATOM 0 HD22 LEU A 40 6.050 -27.290 -5.854 1.00 74.23 H new ATOM 0 HD23 LEU A 40 4.490 -27.878 -6.479 1.00 74.23 H new ATOM 611 N ALA A 41 2.056 -23.855 -7.140 1.00 40.34 N ATOM 612 CA ALA A 41 1.574 -23.429 -8.448 1.00 52.14 C ATOM 613 C ALA A 41 1.148 -21.965 -8.427 1.00 14.15 C ATOM 614 O ALA A 41 1.242 -21.266 -9.435 1.00 21.10 O ATOM 615 CB ALA A 41 0.418 -24.311 -8.897 1.00 51.54 C ATOM 0 H ALA A 41 1.425 -24.483 -6.642 1.00 40.34 H new ATOM 0 HA ALA A 41 2.393 -23.531 -9.160 1.00 52.14 H new ATOM 0 HB1 ALA A 41 0.068 -23.982 -9.875 1.00 51.54 H new ATOM 0 HB2 ALA A 41 0.754 -25.346 -8.961 1.00 51.54 H new ATOM 0 HB3 ALA A 41 -0.397 -24.238 -8.176 1.00 51.54 H new ATOM 621 N ALA A 42 0.678 -21.508 -7.271 1.00 15.44 N ATOM 622 CA ALA A 42 0.238 -20.126 -7.118 1.00 20.24 C ATOM 623 C ALA A 42 1.369 -19.152 -7.431 1.00 72.43 C ATOM 624 O ALA A 42 1.132 -18.047 -7.920 1.00 41.20 O ATOM 625 CB ALA A 42 -0.287 -19.892 -5.709 1.00 20.42 C ATOM 0 H ALA A 42 0.592 -22.074 -6.427 1.00 15.44 H new ATOM 0 HA ALA A 42 -0.568 -19.947 -7.829 1.00 20.24 H new ATOM 0 HB1 ALA A 42 -0.612 -18.856 -5.609 1.00 20.42 H new ATOM 0 HB2 ALA A 42 -1.130 -20.557 -5.520 1.00 20.42 H new ATOM 0 HB3 ALA A 42 0.504 -20.095 -4.987 1.00 20.42 H new ATOM 631 N LEU A 43 2.598 -19.569 -7.147 1.00 13.11 N ATOM 632 CA LEU A 43 3.766 -18.733 -7.398 1.00 43.42 C ATOM 633 C LEU A 43 3.926 -18.454 -8.889 1.00 51.23 C ATOM 634 O LEU A 43 4.449 -17.412 -9.284 1.00 13.25 O ATOM 635 CB LEU A 43 5.027 -19.408 -6.856 1.00 43.12 C ATOM 636 CG LEU A 43 4.876 -20.139 -5.522 1.00 23.31 C ATOM 637 CD1 LEU A 43 6.198 -20.766 -5.104 1.00 54.12 C ATOM 638 CD2 LEU A 43 4.371 -19.188 -4.447 1.00 24.34 C ATOM 0 H LEU A 43 2.811 -20.481 -6.743 1.00 13.11 H new ATOM 0 HA LEU A 43 3.620 -17.784 -6.883 1.00 43.42 H new ATOM 0 HB2 LEU A 43 5.382 -20.121 -7.600 1.00 43.12 H new ATOM 0 HB3 LEU A 43 5.802 -18.650 -6.746 1.00 43.12 H new ATOM 0 HG LEU A 43 4.143 -20.936 -5.647 1.00 23.31 H new ATOM 0 HD11 LEU A 43 6.071 -21.282 -4.152 1.00 54.12 H new ATOM 0 HD12 LEU A 43 6.519 -21.479 -5.863 1.00 54.12 H new ATOM 0 HD13 LEU A 43 6.952 -19.987 -4.996 1.00 54.12 H new ATOM 0 HD21 LEU A 43 4.269 -19.726 -3.504 1.00 24.34 H new ATOM 0 HD22 LEU A 43 5.080 -18.369 -4.323 1.00 24.34 H new ATOM 0 HD23 LEU A 43 3.401 -18.787 -4.742 1.00 24.34 H new ATOM 650 N ALA A 44 3.470 -19.391 -9.713 1.00 71.45 N ATOM 651 CA ALA A 44 3.558 -19.245 -11.161 1.00 1.30 C ATOM 652 C ALA A 44 2.433 -18.364 -11.693 1.00 52.11 C ATOM 653 O ALA A 44 2.355 -18.096 -12.892 1.00 63.21 O ATOM 654 CB ALA A 44 3.525 -20.610 -11.833 1.00 4.53 C ATOM 0 H ALA A 44 3.036 -20.260 -9.403 1.00 71.45 H new ATOM 0 HA ALA A 44 4.506 -18.760 -11.395 1.00 1.30 H new ATOM 0 HB1 ALA A 44 3.591 -20.485 -12.914 1.00 4.53 H new ATOM 0 HB2 ALA A 44 4.367 -21.208 -11.484 1.00 4.53 H new ATOM 0 HB3 ALA A 44 2.593 -21.116 -11.583 1.00 4.53 H new ATOM 660 N SER A 45 1.562 -17.917 -10.794 1.00 51.20 N ATOM 661 CA SER A 45 0.438 -17.070 -11.174 1.00 54.43 C ATOM 662 C SER A 45 0.709 -15.612 -10.814 1.00 65.13 C ATOM 663 O SER A 45 -0.047 -14.716 -11.188 1.00 55.02 O ATOM 664 CB SER A 45 -0.843 -17.546 -10.486 1.00 71.35 C ATOM 665 OG SER A 45 -0.850 -18.956 -10.341 1.00 45.12 O ATOM 0 H SER A 45 1.613 -18.127 -9.797 1.00 51.20 H new ATOM 0 HA SER A 45 0.311 -17.142 -12.254 1.00 54.43 H new ATOM 0 HB2 SER A 45 -0.930 -17.076 -9.506 1.00 71.35 H new ATOM 0 HB3 SER A 45 -1.710 -17.233 -11.068 1.00 71.35 H new ATOM 0 HG SER A 45 -1.678 -19.235 -9.897 1.00 45.12 H new ATOM 671 N LYS A 46 1.796 -15.382 -10.085 1.00 21.30 N ATOM 672 CA LYS A 46 2.171 -14.035 -9.674 1.00 3.32 C ATOM 673 C LYS A 46 3.499 -14.045 -8.923 1.00 43.34 C ATOM 674 O LYS A 46 4.293 -13.109 -9.032 1.00 30.25 O ATOM 675 CB LYS A 46 1.079 -13.426 -8.791 1.00 43.03 C ATOM 676 CG LYS A 46 1.431 -12.051 -8.249 1.00 62.42 C ATOM 677 CD LYS A 46 1.273 -11.990 -6.739 1.00 63.32 C ATOM 678 CE LYS A 46 -0.125 -11.542 -6.343 1.00 31.13 C ATOM 679 NZ LYS A 46 -1.175 -12.428 -6.918 1.00 12.34 N ATOM 0 H LYS A 46 2.433 -16.112 -9.767 1.00 21.30 H new ATOM 0 HA LYS A 46 2.285 -13.427 -10.572 1.00 3.32 H new ATOM 0 HB2 LYS A 46 0.156 -13.355 -9.366 1.00 43.03 H new ATOM 0 HB3 LYS A 46 0.883 -14.097 -7.955 1.00 43.03 H new ATOM 0 HG2 LYS A 46 2.458 -11.805 -8.519 1.00 62.42 H new ATOM 0 HG3 LYS A 46 0.791 -11.301 -8.713 1.00 62.42 H new ATOM 0 HD2 LYS A 46 1.477 -12.971 -6.311 1.00 63.32 H new ATOM 0 HD3 LYS A 46 2.008 -11.302 -6.323 1.00 63.32 H new ATOM 0 HE2 LYS A 46 -0.210 -11.536 -5.256 1.00 31.13 H new ATOM 0 HE3 LYS A 46 -0.288 -10.519 -6.681 1.00 31.13 H new ATOM 0 HZ1 LYS A 46 -2.096 -12.196 -6.493 1.00 12.34 H new ATOM 0 HZ2 LYS A 46 -1.223 -12.286 -7.947 1.00 12.34 H new ATOM 0 HZ3 LYS A 46 -0.940 -13.421 -6.716 1.00 12.34 H new ATOM 693 N THR A 47 3.736 -15.109 -8.163 1.00 64.20 N ATOM 694 CA THR A 47 4.968 -15.241 -7.395 1.00 61.03 C ATOM 695 C THR A 47 5.039 -14.198 -6.286 1.00 12.11 C ATOM 696 O THR A 47 5.301 -13.019 -6.525 1.00 54.12 O ATOM 697 CB THR A 47 6.209 -15.101 -8.296 1.00 45.43 C ATOM 698 OG1 THR A 47 5.840 -15.273 -9.669 1.00 65.21 O ATOM 699 CG2 THR A 47 7.271 -16.123 -7.919 1.00 33.13 C ATOM 0 H THR A 47 3.091 -15.893 -8.063 1.00 64.20 H new ATOM 0 HA THR A 47 4.960 -16.237 -6.953 1.00 61.03 H new ATOM 0 HB THR A 47 6.622 -14.103 -8.154 1.00 45.43 H new ATOM 0 HG1 THR A 47 5.432 -16.156 -9.790 1.00 65.21 H new ATOM 0 HG21 THR A 47 8.138 -16.004 -8.569 1.00 33.13 H new ATOM 0 HG22 THR A 47 7.572 -15.970 -6.882 1.00 33.13 H new ATOM 0 HG23 THR A 47 6.866 -17.128 -8.035 1.00 33.13 H new ATOM 707 N PRO A 48 4.801 -14.639 -5.042 1.00 11.12 N ATOM 708 CA PRO A 48 4.833 -13.759 -3.870 1.00 43.41 C ATOM 709 C PRO A 48 6.245 -13.287 -3.538 1.00 71.02 C ATOM 710 O PRO A 48 7.184 -13.524 -4.299 1.00 14.41 O ATOM 711 CB PRO A 48 4.287 -14.643 -2.747 1.00 20.24 C ATOM 712 CG PRO A 48 4.584 -16.036 -3.183 1.00 24.33 C ATOM 713 CD PRO A 48 4.482 -16.031 -4.683 1.00 25.20 C ATOM 0 HA PRO A 48 4.258 -12.847 -4.030 1.00 43.41 H new ATOM 0 HB2 PRO A 48 4.767 -14.415 -1.795 1.00 20.24 H new ATOM 0 HB3 PRO A 48 3.217 -14.491 -2.609 1.00 20.24 H new ATOM 0 HG2 PRO A 48 5.579 -16.342 -2.861 1.00 24.33 H new ATOM 0 HG3 PRO A 48 3.877 -16.741 -2.746 1.00 24.33 H new ATOM 0 HD2 PRO A 48 5.182 -16.733 -5.136 1.00 25.20 H new ATOM 0 HD3 PRO A 48 3.484 -16.314 -5.019 1.00 25.20 H new ATOM 721 N ASP A 49 6.388 -12.620 -2.399 1.00 10.35 N ATOM 722 CA ASP A 49 7.686 -12.116 -1.965 1.00 61.12 C ATOM 723 C ASP A 49 8.188 -12.884 -0.746 1.00 74.12 C ATOM 724 O ASP A 49 9.346 -12.755 -0.351 1.00 44.33 O ATOM 725 CB ASP A 49 7.596 -10.624 -1.642 1.00 1.12 C ATOM 726 CG ASP A 49 8.076 -9.753 -2.787 1.00 31.55 C ATOM 727 OD1 ASP A 49 7.696 -10.032 -3.944 1.00 4.25 O ATOM 728 OD2 ASP A 49 8.830 -8.793 -2.525 1.00 62.34 O ATOM 0 H ASP A 49 5.621 -12.415 -1.759 1.00 10.35 H new ATOM 0 HA ASP A 49 8.395 -12.261 -2.780 1.00 61.12 H new ATOM 0 HB2 ASP A 49 6.564 -10.369 -1.403 1.00 1.12 H new ATOM 0 HB3 ASP A 49 8.191 -10.411 -0.754 1.00 1.12 H new ATOM 733 N VAL A 50 7.306 -13.683 -0.153 1.00 24.30 N ATOM 734 CA VAL A 50 7.659 -14.472 1.021 1.00 23.33 C ATOM 735 C VAL A 50 6.463 -15.271 1.526 1.00 21.33 C ATOM 736 O VAL A 50 5.355 -14.746 1.639 1.00 33.02 O ATOM 737 CB VAL A 50 8.184 -13.579 2.161 1.00 50.21 C ATOM 738 CG1 VAL A 50 7.262 -12.387 2.373 1.00 64.40 C ATOM 739 CG2 VAL A 50 8.332 -14.384 3.443 1.00 1.32 C ATOM 0 H VAL A 50 6.343 -13.801 -0.466 1.00 24.30 H new ATOM 0 HA VAL A 50 8.448 -15.159 0.715 1.00 23.33 H new ATOM 0 HB VAL A 50 9.168 -13.202 1.881 1.00 50.21 H new ATOM 0 HG11 VAL A 50 7.649 -11.767 3.182 1.00 64.40 H new ATOM 0 HG12 VAL A 50 7.212 -11.798 1.457 1.00 64.40 H new ATOM 0 HG13 VAL A 50 6.264 -12.741 2.632 1.00 64.40 H new ATOM 0 HG21 VAL A 50 8.704 -13.737 4.238 1.00 1.32 H new ATOM 0 HG22 VAL A 50 7.363 -14.792 3.731 1.00 1.32 H new ATOM 0 HG23 VAL A 50 9.035 -15.201 3.281 1.00 1.32 H new ATOM 749 N LEU A 51 6.694 -16.544 1.829 1.00 2.24 N ATOM 750 CA LEU A 51 5.635 -17.417 2.324 1.00 63.02 C ATOM 751 C LEU A 51 5.791 -17.669 3.820 1.00 2.31 C ATOM 752 O LEU A 51 6.815 -17.328 4.415 1.00 52.34 O ATOM 753 CB LEU A 51 5.649 -18.746 1.567 1.00 31.53 C ATOM 754 CG LEU A 51 4.349 -19.128 0.858 1.00 63.32 C ATOM 755 CD1 LEU A 51 4.630 -19.566 -0.571 1.00 60.32 C ATOM 756 CD2 LEU A 51 3.627 -20.228 1.623 1.00 64.14 C ATOM 0 H LEU A 51 7.605 -16.994 1.741 1.00 2.24 H new ATOM 0 HA LEU A 51 4.680 -16.920 2.157 1.00 63.02 H new ATOM 0 HB2 LEU A 51 6.447 -18.710 0.825 1.00 31.53 H new ATOM 0 HB3 LEU A 51 5.903 -19.539 2.270 1.00 31.53 H new ATOM 0 HG LEU A 51 3.703 -18.251 0.827 1.00 63.32 H new ATOM 0 HD11 LEU A 51 3.694 -19.834 -1.060 1.00 60.32 H new ATOM 0 HD12 LEU A 51 5.103 -18.749 -1.116 1.00 60.32 H new ATOM 0 HD13 LEU A 51 5.295 -20.429 -0.563 1.00 60.32 H new ATOM 0 HD21 LEU A 51 2.704 -20.487 1.104 1.00 64.14 H new ATOM 0 HD22 LEU A 51 4.267 -21.108 1.686 1.00 64.14 H new ATOM 0 HD23 LEU A 51 3.392 -19.878 2.628 1.00 64.14 H new ATOM 768 N LEU A 52 4.771 -18.269 4.423 1.00 22.11 N ATOM 769 CA LEU A 52 4.795 -18.569 5.851 1.00 63.35 C ATOM 770 C LEU A 52 4.073 -19.881 6.143 1.00 3.44 C ATOM 771 O LEU A 52 2.974 -19.885 6.697 1.00 74.24 O ATOM 772 CB LEU A 52 4.150 -17.431 6.642 1.00 12.41 C ATOM 773 CG LEU A 52 5.094 -16.329 7.124 1.00 1.15 C ATOM 774 CD1 LEU A 52 5.406 -15.361 5.994 1.00 3.30 C ATOM 775 CD2 LEU A 52 4.491 -15.590 8.310 1.00 35.42 C ATOM 0 H LEU A 52 3.917 -18.558 3.946 1.00 22.11 H new ATOM 0 HA LEU A 52 5.836 -18.672 6.159 1.00 63.35 H new ATOM 0 HB2 LEU A 52 3.379 -16.975 6.021 1.00 12.41 H new ATOM 0 HB3 LEU A 52 3.649 -17.858 7.511 1.00 12.41 H new ATOM 0 HG LEU A 52 6.027 -16.792 7.446 1.00 1.15 H new ATOM 0 HD11 LEU A 52 6.079 -14.584 6.356 1.00 3.30 H new ATOM 0 HD12 LEU A 52 5.881 -15.900 5.174 1.00 3.30 H new ATOM 0 HD13 LEU A 52 4.482 -14.904 5.640 1.00 3.30 H new ATOM 0 HD21 LEU A 52 5.177 -14.810 8.639 1.00 35.42 H new ATOM 0 HD22 LEU A 52 3.544 -15.139 8.014 1.00 35.42 H new ATOM 0 HD23 LEU A 52 4.320 -16.291 9.127 1.00 35.42 H new ATOM 787 N SER A 53 4.701 -20.992 5.771 1.00 55.44 N ATOM 788 CA SER A 53 4.117 -22.310 5.992 1.00 43.32 C ATOM 789 C SER A 53 4.247 -22.722 7.455 1.00 71.41 C ATOM 790 O SER A 53 5.274 -22.484 8.090 1.00 64.22 O ATOM 791 CB SER A 53 4.795 -23.348 5.095 1.00 1.43 C ATOM 792 OG SER A 53 4.155 -24.608 5.200 1.00 4.33 O ATOM 0 H SER A 53 5.614 -21.006 5.316 1.00 55.44 H new ATOM 0 HA SER A 53 3.058 -22.259 5.740 1.00 43.32 H new ATOM 0 HB2 SER A 53 4.771 -23.009 4.059 1.00 1.43 H new ATOM 0 HB3 SER A 53 5.844 -23.445 5.374 1.00 1.43 H new ATOM 0 HG SER A 53 4.606 -25.253 4.616 1.00 4.33 H new ATOM 798 N ASP A 54 3.197 -23.342 7.983 1.00 25.41 N ATOM 799 CA ASP A 54 3.193 -23.790 9.371 1.00 33.00 C ATOM 800 C ASP A 54 3.624 -25.250 9.473 1.00 51.23 C ATOM 801 O ASP A 54 3.823 -25.773 10.569 1.00 31.33 O ATOM 802 CB ASP A 54 1.802 -23.612 9.982 1.00 73.53 C ATOM 803 CG ASP A 54 1.804 -23.784 11.488 1.00 65.00 C ATOM 804 OD1 ASP A 54 2.874 -23.594 12.105 1.00 34.11 O ATOM 805 OD2 ASP A 54 0.737 -24.107 12.050 1.00 63.32 O ATOM 0 H ASP A 54 2.338 -23.546 7.471 1.00 25.41 H new ATOM 0 HA ASP A 54 3.906 -23.180 9.926 1.00 33.00 H new ATOM 0 HB2 ASP A 54 1.423 -22.621 9.733 1.00 73.53 H new ATOM 0 HB3 ASP A 54 1.118 -24.335 9.538 1.00 73.53 H new ATOM 810 N ILE A 55 3.765 -25.901 8.323 1.00 21.02 N ATOM 811 CA ILE A 55 4.172 -27.300 8.283 1.00 5.04 C ATOM 812 C ILE A 55 3.365 -28.136 9.271 1.00 43.11 C ATOM 813 O ILE A 55 3.819 -28.414 10.381 1.00 4.30 O ATOM 814 CB ILE A 55 5.672 -27.459 8.599 1.00 54.04 C ATOM 815 CG1 ILE A 55 6.514 -26.694 7.576 1.00 60.12 C ATOM 816 CG2 ILE A 55 6.056 -28.931 8.615 1.00 1.11 C ATOM 817 CD1 ILE A 55 7.993 -26.688 7.894 1.00 32.13 C ATOM 0 H ILE A 55 3.603 -25.482 7.407 1.00 21.02 H new ATOM 0 HA ILE A 55 3.982 -27.655 7.270 1.00 5.04 H new ATOM 0 HB ILE A 55 5.867 -27.042 9.587 1.00 54.04 H new ATOM 0 HG12 ILE A 55 6.364 -27.136 6.591 1.00 60.12 H new ATOM 0 HG13 ILE A 55 6.158 -25.665 7.521 1.00 60.12 H new ATOM 0 HG21 ILE A 55 7.118 -29.027 8.839 1.00 1.11 H new ATOM 0 HG22 ILE A 55 5.475 -29.450 9.377 1.00 1.11 H new ATOM 0 HG23 ILE A 55 5.850 -29.371 7.639 1.00 1.11 H new ATOM 0 HD11 ILE A 55 8.528 -26.128 7.127 1.00 32.13 H new ATOM 0 HD12 ILE A 55 8.155 -26.219 8.865 1.00 32.13 H new ATOM 0 HD13 ILE A 55 8.364 -27.713 7.920 1.00 32.13 H new ATOM 920 N GLY A 62 5.293 -30.692 4.778 1.00 14.05 N ATOM 921 CA GLY A 62 5.460 -29.269 5.007 1.00 44.30 C ATOM 922 C GLY A 62 6.637 -28.694 4.244 1.00 41.22 C ATOM 923 O GLY A 62 6.464 -27.841 3.372 1.00 5.43 O ATOM 0 HA2 GLY A 62 4.550 -28.747 4.712 1.00 44.30 H new ATOM 0 HA3 GLY A 62 5.599 -29.089 6.073 1.00 44.30 H new ATOM 927 N LEU A 63 7.837 -29.160 4.572 1.00 42.44 N ATOM 928 CA LEU A 63 9.049 -28.685 3.912 1.00 74.04 C ATOM 929 C LEU A 63 9.267 -29.410 2.587 1.00 14.41 C ATOM 930 O LEU A 63 10.083 -28.991 1.767 1.00 73.35 O ATOM 931 CB LEU A 63 10.261 -28.887 4.822 1.00 43.51 C ATOM 932 CG LEU A 63 10.266 -30.165 5.660 1.00 22.41 C ATOM 933 CD1 LEU A 63 10.031 -31.382 4.779 1.00 62.23 C ATOM 934 CD2 LEU A 63 11.578 -30.300 6.420 1.00 71.13 C ATOM 0 H LEU A 63 7.997 -29.866 5.291 1.00 42.44 H new ATOM 0 HA LEU A 63 8.929 -27.621 3.708 1.00 74.04 H new ATOM 0 HB2 LEU A 63 11.159 -28.878 4.204 1.00 43.51 H new ATOM 0 HB3 LEU A 63 10.330 -28.034 5.497 1.00 43.51 H new ATOM 0 HG LEU A 63 9.454 -30.104 6.385 1.00 22.41 H new ATOM 0 HD11 LEU A 63 10.038 -32.283 5.393 1.00 62.23 H new ATOM 0 HD12 LEU A 63 9.066 -31.290 4.281 1.00 62.23 H new ATOM 0 HD13 LEU A 63 10.821 -31.447 4.030 1.00 62.23 H new ATOM 0 HD21 LEU A 63 11.563 -31.216 7.011 1.00 71.13 H new ATOM 0 HD22 LEU A 63 12.406 -30.338 5.712 1.00 71.13 H new ATOM 0 HD23 LEU A 63 11.705 -29.443 7.082 1.00 71.13 H new ATOM 946 N ALA A 64 8.530 -30.497 2.385 1.00 13.02 N ATOM 947 CA ALA A 64 8.639 -31.277 1.159 1.00 64.12 C ATOM 948 C ALA A 64 8.708 -30.370 -0.065 1.00 15.31 C ATOM 949 O ALA A 64 9.606 -30.499 -0.898 1.00 32.54 O ATOM 950 CB ALA A 64 7.468 -32.240 1.039 1.00 34.24 C ATOM 0 H ALA A 64 7.851 -30.857 3.055 1.00 13.02 H new ATOM 0 HA ALA A 64 9.564 -31.852 1.205 1.00 64.12 H new ATOM 0 HB1 ALA A 64 7.563 -32.816 0.118 1.00 34.24 H new ATOM 0 HB2 ALA A 64 7.466 -32.918 1.892 1.00 34.24 H new ATOM 0 HB3 ALA A 64 6.535 -31.677 1.020 1.00 34.24 H new ATOM 956 N LEU A 65 7.753 -29.452 -0.168 1.00 40.45 N ATOM 957 CA LEU A 65 7.704 -28.522 -1.292 1.00 23.02 C ATOM 958 C LEU A 65 8.606 -27.318 -1.042 1.00 2.35 C ATOM 959 O LEU A 65 9.151 -26.731 -1.978 1.00 21.32 O ATOM 960 CB LEU A 65 6.267 -28.056 -1.532 1.00 21.23 C ATOM 961 CG LEU A 65 5.837 -26.794 -0.783 1.00 33.41 C ATOM 962 CD1 LEU A 65 4.529 -26.260 -1.345 1.00 74.02 C ATOM 963 CD2 LEU A 65 5.703 -27.077 0.706 1.00 22.43 C ATOM 0 H LEU A 65 7.003 -29.331 0.512 1.00 40.45 H new ATOM 0 HA LEU A 65 8.063 -29.044 -2.179 1.00 23.02 H new ATOM 0 HB2 LEU A 65 6.136 -27.883 -2.600 1.00 21.23 H new ATOM 0 HB3 LEU A 65 5.592 -28.866 -1.255 1.00 21.23 H new ATOM 0 HG LEU A 65 6.606 -26.033 -0.920 1.00 33.41 H new ATOM 0 HD11 LEU A 65 4.238 -25.362 -0.800 1.00 74.02 H new ATOM 0 HD12 LEU A 65 4.658 -26.018 -2.400 1.00 74.02 H new ATOM 0 HD13 LEU A 65 3.751 -27.016 -1.239 1.00 74.02 H new ATOM 0 HD21 LEU A 65 5.396 -26.168 1.223 1.00 22.43 H new ATOM 0 HD22 LEU A 65 4.954 -27.854 0.863 1.00 22.43 H new ATOM 0 HD23 LEU A 65 6.662 -27.413 1.100 1.00 22.43 H new ATOM 975 N LEU A 66 8.761 -26.955 0.227 1.00 44.11 N ATOM 976 CA LEU A 66 9.600 -25.821 0.601 1.00 32.34 C ATOM 977 C LEU A 66 10.996 -25.955 0.001 1.00 12.15 C ATOM 978 O LEU A 66 11.556 -24.989 -0.516 1.00 43.52 O ATOM 979 CB LEU A 66 9.695 -25.713 2.124 1.00 30.23 C ATOM 980 CG LEU A 66 9.881 -24.304 2.687 1.00 53.52 C ATOM 981 CD1 LEU A 66 10.983 -23.571 1.938 1.00 40.11 C ATOM 982 CD2 LEU A 66 8.576 -23.524 2.615 1.00 74.42 C ATOM 0 H LEU A 66 8.317 -27.429 1.014 1.00 44.11 H new ATOM 0 HA LEU A 66 9.141 -24.915 0.206 1.00 32.34 H new ATOM 0 HB2 LEU A 66 8.789 -26.138 2.555 1.00 30.23 H new ATOM 0 HB3 LEU A 66 10.528 -26.330 2.461 1.00 30.23 H new ATOM 0 HG LEU A 66 10.174 -24.388 3.733 1.00 53.52 H new ATOM 0 HD11 LEU A 66 11.101 -22.570 2.353 1.00 40.11 H new ATOM 0 HD12 LEU A 66 11.920 -24.119 2.041 1.00 40.11 H new ATOM 0 HD13 LEU A 66 10.719 -23.498 0.883 1.00 40.11 H new ATOM 0 HD21 LEU A 66 8.727 -22.523 3.020 1.00 74.42 H new ATOM 0 HD22 LEU A 66 8.253 -23.450 1.577 1.00 74.42 H new ATOM 0 HD23 LEU A 66 7.812 -24.039 3.197 1.00 74.42 H new ATOM 994 N LYS A 67 11.552 -27.160 0.073 1.00 51.54 N ATOM 995 CA LYS A 67 12.881 -27.422 -0.466 1.00 61.22 C ATOM 996 C LYS A 67 12.975 -26.981 -1.923 1.00 54.42 C ATOM 997 O LYS A 67 14.061 -26.691 -2.424 1.00 73.01 O ATOM 998 CB LYS A 67 13.215 -28.911 -0.351 1.00 64.21 C ATOM 999 CG LYS A 67 13.246 -29.419 1.080 1.00 10.22 C ATOM 1000 CD LYS A 67 14.327 -28.727 1.894 1.00 31.51 C ATOM 1001 CE LYS A 67 15.717 -29.065 1.376 1.00 55.02 C ATOM 1002 NZ LYS A 67 16.785 -28.461 2.219 1.00 11.21 N ATOM 0 H LYS A 67 11.103 -27.970 0.499 1.00 51.54 H new ATOM 0 HA LYS A 67 13.601 -26.847 0.116 1.00 61.22 H new ATOM 0 HB2 LYS A 67 12.479 -29.484 -0.915 1.00 64.21 H new ATOM 0 HB3 LYS A 67 14.185 -29.094 -0.814 1.00 64.21 H new ATOM 0 HG2 LYS A 67 12.275 -29.253 1.547 1.00 10.22 H new ATOM 0 HG3 LYS A 67 13.421 -30.495 1.081 1.00 10.22 H new ATOM 0 HD2 LYS A 67 14.177 -27.648 1.858 1.00 31.51 H new ATOM 0 HD3 LYS A 67 14.244 -29.026 2.939 1.00 31.51 H new ATOM 0 HE2 LYS A 67 15.842 -30.148 1.352 1.00 55.02 H new ATOM 0 HE3 LYS A 67 15.819 -28.709 0.351 1.00 55.02 H new ATOM 0 HZ1 LYS A 67 17.653 -29.027 2.137 1.00 11.21 H new ATOM 0 HZ2 LYS A 67 16.973 -27.490 1.898 1.00 11.21 H new ATOM 0 HZ3 LYS A 67 16.475 -28.443 3.212 1.00 11.21 H new ATOM 1016 N GLN A 68 11.830 -26.930 -2.596 1.00 73.33 N ATOM 1017 CA GLN A 68 11.784 -26.523 -3.996 1.00 10.15 C ATOM 1018 C GLN A 68 11.894 -25.007 -4.125 1.00 75.20 C ATOM 1019 O GLN A 68 12.575 -24.498 -5.016 1.00 32.53 O ATOM 1020 CB GLN A 68 10.489 -27.010 -4.649 1.00 23.25 C ATOM 1021 CG GLN A 68 10.715 -27.851 -5.894 1.00 65.34 C ATOM 1022 CD GLN A 68 10.035 -27.274 -7.120 1.00 33.02 C ATOM 1023 OE1 GLN A 68 10.616 -27.229 -8.204 1.00 64.21 O ATOM 1024 NE2 GLN A 68 8.795 -26.828 -6.954 1.00 31.33 N ATOM 0 H GLN A 68 10.922 -27.165 -2.195 1.00 73.33 H new ATOM 0 HA GLN A 68 12.633 -26.976 -4.508 1.00 10.15 H new ATOM 0 HB2 GLN A 68 9.924 -27.595 -3.923 1.00 23.25 H new ATOM 0 HB3 GLN A 68 9.876 -26.147 -4.910 1.00 23.25 H new ATOM 0 HG2 GLN A 68 11.785 -27.934 -6.082 1.00 65.34 H new ATOM 0 HG3 GLN A 68 10.343 -28.860 -5.718 1.00 65.34 H new ATOM 0 HE21 GLN A 68 8.351 -26.885 -6.037 1.00 31.33 H new ATOM 0 HE22 GLN A 68 8.287 -26.429 -7.743 1.00 31.33 H new ATOM 1033 N ILE A 69 11.219 -24.292 -3.232 1.00 14.23 N ATOM 1034 CA ILE A 69 11.241 -22.834 -3.246 1.00 62.43 C ATOM 1035 C ILE A 69 12.671 -22.307 -3.292 1.00 23.24 C ATOM 1036 O ILE A 69 12.929 -21.222 -3.813 1.00 71.22 O ATOM 1037 CB ILE A 69 10.529 -22.248 -2.013 1.00 54.03 C ATOM 1038 CG1 ILE A 69 9.089 -22.761 -1.937 1.00 50.43 C ATOM 1039 CG2 ILE A 69 10.553 -20.728 -2.061 1.00 5.55 C ATOM 1040 CD1 ILE A 69 8.369 -22.355 -0.670 1.00 43.01 C ATOM 0 H ILE A 69 10.650 -24.698 -2.489 1.00 14.23 H new ATOM 0 HA ILE A 69 10.711 -22.519 -4.145 1.00 62.43 H new ATOM 0 HB ILE A 69 11.058 -22.573 -1.117 1.00 54.03 H new ATOM 0 HG12 ILE A 69 8.533 -22.387 -2.797 1.00 50.43 H new ATOM 0 HG13 ILE A 69 9.095 -23.849 -2.009 1.00 50.43 H new ATOM 0 HG21 ILE A 69 10.046 -20.328 -1.183 1.00 5.55 H new ATOM 0 HG22 ILE A 69 11.586 -20.381 -2.073 1.00 5.55 H new ATOM 0 HG23 ILE A 69 10.044 -20.384 -2.962 1.00 5.55 H new ATOM 0 HD11 ILE A 69 7.354 -22.753 -0.685 1.00 43.01 H new ATOM 0 HD12 ILE A 69 8.902 -22.751 0.194 1.00 43.01 H new ATOM 0 HD13 ILE A 69 8.331 -21.268 -0.606 1.00 43.01 H new ATOM 1052 N LYS A 70 13.600 -23.083 -2.743 1.00 32.41 N ATOM 1053 CA LYS A 70 15.006 -22.698 -2.723 1.00 12.24 C ATOM 1054 C LYS A 70 15.598 -22.726 -4.128 1.00 1.11 C ATOM 1055 O LYS A 70 16.395 -21.862 -4.492 1.00 50.30 O ATOM 1056 CB LYS A 70 15.799 -23.631 -1.805 1.00 34.13 C ATOM 1057 CG LYS A 70 16.143 -23.014 -0.460 1.00 41.34 C ATOM 1058 CD LYS A 70 15.402 -23.700 0.675 1.00 52.13 C ATOM 1059 CE LYS A 70 14.792 -22.689 1.634 1.00 52.14 C ATOM 1060 NZ LYS A 70 13.557 -22.071 1.076 1.00 1.40 N ATOM 0 H LYS A 70 13.404 -23.983 -2.306 1.00 32.41 H new ATOM 0 HA LYS A 70 15.072 -21.680 -2.340 1.00 12.24 H new ATOM 0 HB2 LYS A 70 15.223 -24.541 -1.641 1.00 34.13 H new ATOM 0 HB3 LYS A 70 16.721 -23.924 -2.307 1.00 34.13 H new ATOM 0 HG2 LYS A 70 17.217 -23.086 -0.290 1.00 41.34 H new ATOM 0 HG3 LYS A 70 15.892 -21.953 -0.471 1.00 41.34 H new ATOM 0 HD2 LYS A 70 14.616 -24.335 0.266 1.00 52.13 H new ATOM 0 HD3 LYS A 70 16.088 -24.350 1.218 1.00 52.13 H new ATOM 0 HE2 LYS A 70 14.558 -23.180 2.579 1.00 52.14 H new ATOM 0 HE3 LYS A 70 15.522 -21.909 1.852 1.00 52.14 H new ATOM 0 HZ1 LYS A 70 12.969 -21.709 1.853 1.00 1.40 H new ATOM 0 HZ2 LYS A 70 13.816 -21.287 0.444 1.00 1.40 H new ATOM 0 HZ3 LYS A 70 13.023 -22.785 0.541 1.00 1.40 H new ATOM 1074 N GLN A 71 15.202 -23.723 -4.912 1.00 61.23 N ATOM 1075 CA GLN A 71 15.694 -23.862 -6.278 1.00 1.02 C ATOM 1076 C GLN A 71 14.889 -22.992 -7.238 1.00 1.15 C ATOM 1077 O GLN A 71 15.454 -22.242 -8.034 1.00 25.13 O ATOM 1078 CB GLN A 71 15.628 -25.325 -6.720 1.00 4.12 C ATOM 1079 CG GLN A 71 16.562 -25.655 -7.873 1.00 42.52 C ATOM 1080 CD GLN A 71 16.975 -27.113 -7.891 1.00 5.00 C ATOM 1081 OE1 GLN A 71 18.074 -27.464 -7.459 1.00 33.32 O ATOM 1082 NE2 GLN A 71 16.095 -27.972 -8.392 1.00 44.22 N ATOM 0 H GLN A 71 14.542 -24.446 -4.625 1.00 61.23 H new ATOM 0 HA GLN A 71 16.732 -23.530 -6.299 1.00 1.02 H new ATOM 0 HB2 GLN A 71 15.872 -25.964 -5.871 1.00 4.12 H new ATOM 0 HB3 GLN A 71 14.605 -25.562 -7.013 1.00 4.12 H new ATOM 0 HG2 GLN A 71 16.071 -25.409 -8.815 1.00 42.52 H new ATOM 0 HG3 GLN A 71 17.452 -25.030 -7.804 1.00 42.52 H new ATOM 0 HE21 GLN A 71 15.196 -27.637 -8.739 1.00 44.22 H new ATOM 0 HE22 GLN A 71 16.318 -28.967 -8.430 1.00 44.22 H new ATOM 1091 N ARG A 72 13.567 -23.097 -7.157 1.00 32.45 N ATOM 1092 CA ARG A 72 12.684 -22.321 -8.019 1.00 62.22 C ATOM 1093 C ARG A 72 12.812 -20.829 -7.726 1.00 73.20 C ATOM 1094 O ARG A 72 12.922 -20.013 -8.642 1.00 24.14 O ATOM 1095 CB ARG A 72 11.233 -22.766 -7.832 1.00 74.33 C ATOM 1096 CG ARG A 72 10.300 -22.280 -8.930 1.00 64.41 C ATOM 1097 CD ARG A 72 9.026 -23.108 -8.985 1.00 54.30 C ATOM 1098 NE ARG A 72 9.250 -24.419 -9.587 1.00 73.15 N ATOM 1099 CZ ARG A 72 8.279 -25.168 -10.099 1.00 23.41 C ATOM 1100 NH1 ARG A 72 7.025 -24.738 -10.081 1.00 45.22 N ATOM 1101 NH2 ARG A 72 8.562 -26.351 -10.630 1.00 5.01 N ATOM 0 H ARG A 72 13.083 -23.712 -6.503 1.00 32.45 H new ATOM 0 HA ARG A 72 12.980 -22.497 -9.053 1.00 62.22 H new ATOM 0 HB2 ARG A 72 11.198 -23.855 -7.793 1.00 74.33 H new ATOM 0 HB3 ARG A 72 10.871 -22.401 -6.871 1.00 74.33 H new ATOM 0 HG2 ARG A 72 10.048 -21.234 -8.758 1.00 64.41 H new ATOM 0 HG3 ARG A 72 10.810 -22.331 -9.892 1.00 64.41 H new ATOM 0 HD2 ARG A 72 8.633 -23.235 -7.976 1.00 54.30 H new ATOM 0 HD3 ARG A 72 8.269 -22.571 -9.557 1.00 54.30 H new ATOM 0 HE ARG A 72 10.204 -24.780 -9.616 1.00 73.15 H new ATOM 0 HH11 ARG A 72 6.803 -23.830 -9.673 1.00 45.22 H new ATOM 0 HH12 ARG A 72 6.282 -25.315 -10.475 1.00 45.22 H new ATOM 0 HH21 ARG A 72 9.525 -26.686 -10.645 1.00 5.01 H new ATOM 0 HH22 ARG A 72 7.816 -26.925 -11.023 1.00 5.01 H new ATOM 1115 N HIS A 73 12.795 -20.480 -6.444 1.00 11.34 N ATOM 1116 CA HIS A 73 12.909 -19.086 -6.030 1.00 13.35 C ATOM 1117 C HIS A 73 14.036 -18.910 -5.017 1.00 65.10 C ATOM 1118 O HIS A 73 13.809 -18.779 -3.814 1.00 73.02 O ATOM 1119 CB HIS A 73 11.589 -18.601 -5.430 1.00 12.55 C ATOM 1120 CG HIS A 73 10.380 -19.106 -6.154 1.00 74.33 C ATOM 1121 ND1 HIS A 73 9.756 -18.400 -7.161 1.00 74.31 N ATOM 1122 CD2 HIS A 73 9.680 -20.257 -6.014 1.00 45.25 C ATOM 1123 CE1 HIS A 73 8.724 -19.094 -7.608 1.00 11.10 C ATOM 1124 NE2 HIS A 73 8.657 -20.225 -6.929 1.00 54.20 N ATOM 0 H HIS A 73 12.703 -21.143 -5.674 1.00 11.34 H new ATOM 0 HA HIS A 73 13.140 -18.489 -6.912 1.00 13.35 H new ATOM 0 HB2 HIS A 73 11.536 -18.916 -4.388 1.00 12.55 H new ATOM 0 HB3 HIS A 73 11.576 -17.511 -5.435 1.00 12.55 H new ATOM 0 HD1 HIS A 73 10.046 -17.485 -7.507 1.00 74.31 H new ATOM 0 HD2 HIS A 73 9.888 -21.052 -5.313 1.00 45.25 H new ATOM 0 HE1 HIS A 73 8.050 -18.788 -8.395 1.00 11.10 H new ATOM 1132 N PRO A 74 15.283 -18.908 -5.513 1.00 13.11 N ATOM 1133 CA PRO A 74 16.470 -18.750 -4.668 1.00 44.44 C ATOM 1134 C PRO A 74 16.591 -17.342 -4.095 1.00 51.55 C ATOM 1135 O PRO A 74 17.329 -17.112 -3.138 1.00 63.12 O ATOM 1136 CB PRO A 74 17.628 -19.038 -5.627 1.00 44.42 C ATOM 1137 CG PRO A 74 17.091 -18.713 -6.978 1.00 61.23 C ATOM 1138 CD PRO A 74 15.628 -19.059 -6.936 1.00 64.33 C ATOM 0 HA PRO A 74 16.443 -19.408 -3.800 1.00 44.44 H new ATOM 0 HB2 PRO A 74 18.499 -18.428 -5.390 1.00 44.42 H new ATOM 0 HB3 PRO A 74 17.943 -20.080 -5.566 1.00 44.42 H new ATOM 0 HG2 PRO A 74 17.236 -17.658 -7.212 1.00 61.23 H new ATOM 0 HG3 PRO A 74 17.605 -19.285 -7.750 1.00 61.23 H new ATOM 0 HD2 PRO A 74 15.039 -18.392 -7.565 1.00 64.33 H new ATOM 0 HD3 PRO A 74 15.445 -20.074 -7.288 1.00 64.33 H new ATOM 1146 N MET A 75 15.860 -16.402 -4.687 1.00 62.44 N ATOM 1147 CA MET A 75 15.885 -15.017 -4.234 1.00 13.42 C ATOM 1148 C MET A 75 14.623 -14.681 -3.444 1.00 45.33 C ATOM 1149 O MET A 75 14.447 -13.550 -2.989 1.00 32.04 O ATOM 1150 CB MET A 75 16.021 -14.069 -5.427 1.00 71.23 C ATOM 1151 CG MET A 75 14.876 -14.176 -6.422 1.00 23.12 C ATOM 1152 SD MET A 75 13.686 -12.831 -6.258 1.00 63.44 S ATOM 1153 CE MET A 75 12.203 -13.741 -5.835 1.00 31.50 C ATOM 0 H MET A 75 15.244 -16.575 -5.481 1.00 62.44 H new ATOM 0 HA MET A 75 16.747 -14.891 -3.579 1.00 13.42 H new ATOM 0 HB2 MET A 75 16.079 -13.044 -5.061 1.00 71.23 H new ATOM 0 HB3 MET A 75 16.959 -14.278 -5.941 1.00 71.23 H new ATOM 0 HG2 MET A 75 15.279 -14.178 -7.435 1.00 23.12 H new ATOM 0 HG3 MET A 75 14.364 -15.128 -6.280 1.00 23.12 H new ATOM 0 HE1 MET A 75 11.343 -13.073 -5.875 1.00 31.50 H new ATOM 0 HE2 MET A 75 12.062 -14.557 -6.544 1.00 31.50 H new ATOM 0 HE3 MET A 75 12.300 -14.148 -4.828 1.00 31.50 H new ATOM 1163 N LEU A 76 13.749 -15.668 -3.286 1.00 63.34 N ATOM 1164 CA LEU A 76 12.503 -15.477 -2.552 1.00 25.23 C ATOM 1165 C LEU A 76 12.654 -15.921 -1.100 1.00 51.40 C ATOM 1166 O LEU A 76 12.775 -17.108 -0.797 1.00 42.22 O ATOM 1167 CB LEU A 76 11.370 -16.257 -3.220 1.00 54.41 C ATOM 1168 CG LEU A 76 9.981 -16.083 -2.603 1.00 42.24 C ATOM 1169 CD1 LEU A 76 9.427 -14.702 -2.916 1.00 41.45 C ATOM 1170 CD2 LEU A 76 9.036 -17.165 -3.105 1.00 12.14 C ATOM 0 H LEU A 76 13.880 -16.609 -3.656 1.00 63.34 H new ATOM 0 HA LEU A 76 12.261 -14.414 -2.565 1.00 25.23 H new ATOM 0 HB2 LEU A 76 11.320 -15.961 -4.268 1.00 54.41 H new ATOM 0 HB3 LEU A 76 11.624 -17.317 -3.200 1.00 54.41 H new ATOM 0 HG LEU A 76 10.070 -16.179 -1.521 1.00 42.24 H new ATOM 0 HD11 LEU A 76 8.438 -14.597 -2.469 1.00 41.45 H new ATOM 0 HD12 LEU A 76 10.093 -13.942 -2.508 1.00 41.45 H new ATOM 0 HD13 LEU A 76 9.352 -14.576 -3.996 1.00 41.45 H new ATOM 0 HD21 LEU A 76 8.053 -17.026 -2.656 1.00 12.14 H new ATOM 0 HD22 LEU A 76 8.952 -17.100 -4.190 1.00 12.14 H new ATOM 0 HD23 LEU A 76 9.426 -18.145 -2.829 1.00 12.14 H new ATOM 1182 N PRO A 77 12.644 -14.945 -0.179 1.00 72.51 N ATOM 1183 CA PRO A 77 12.775 -15.211 1.257 1.00 62.15 C ATOM 1184 C PRO A 77 11.545 -15.903 1.833 1.00 15.52 C ATOM 1185 O PRO A 77 10.434 -15.375 1.765 1.00 44.13 O ATOM 1186 CB PRO A 77 12.937 -13.815 1.862 1.00 0.33 C ATOM 1187 CG PRO A 77 12.277 -12.901 0.888 1.00 4.53 C ATOM 1188 CD PRO A 77 12.503 -13.509 -0.468 1.00 51.54 C ATOM 0 HA PRO A 77 13.605 -15.883 1.473 1.00 62.15 H new ATOM 0 HB2 PRO A 77 12.468 -13.752 2.844 1.00 0.33 H new ATOM 0 HB3 PRO A 77 13.989 -13.560 1.994 1.00 0.33 H new ATOM 0 HG2 PRO A 77 11.212 -12.807 1.101 1.00 4.53 H new ATOM 0 HG3 PRO A 77 12.703 -11.899 0.942 1.00 4.53 H new ATOM 0 HD2 PRO A 77 11.667 -13.315 -1.140 1.00 51.54 H new ATOM 0 HD3 PRO A 77 13.396 -13.106 -0.945 1.00 51.54 H new ATOM 1196 N VAL A 78 11.749 -17.087 2.402 1.00 54.41 N ATOM 1197 CA VAL A 78 10.655 -17.850 2.992 1.00 5.32 C ATOM 1198 C VAL A 78 10.808 -17.947 4.506 1.00 71.10 C ATOM 1199 O VAL A 78 11.890 -17.717 5.047 1.00 70.41 O ATOM 1200 CB VAL A 78 10.580 -19.271 2.402 1.00 3.53 C ATOM 1201 CG1 VAL A 78 9.240 -19.913 2.727 1.00 64.34 C ATOM 1202 CG2 VAL A 78 10.815 -19.236 0.900 1.00 72.23 C ATOM 0 H VAL A 78 12.661 -17.539 2.467 1.00 54.41 H new ATOM 0 HA VAL A 78 9.733 -17.318 2.756 1.00 5.32 H new ATOM 0 HB VAL A 78 11.365 -19.877 2.855 1.00 3.53 H new ATOM 0 HG11 VAL A 78 9.205 -20.916 2.302 1.00 64.34 H new ATOM 0 HG12 VAL A 78 9.118 -19.972 3.808 1.00 64.34 H new ATOM 0 HG13 VAL A 78 8.436 -19.311 2.303 1.00 64.34 H new ATOM 0 HG21 VAL A 78 10.759 -20.248 0.499 1.00 72.23 H new ATOM 0 HG22 VAL A 78 10.054 -18.615 0.427 1.00 72.23 H new ATOM 0 HG23 VAL A 78 11.801 -18.819 0.696 1.00 72.23 H new ATOM 1212 N ILE A 79 9.718 -18.290 5.184 1.00 53.50 N ATOM 1213 CA ILE A 79 9.731 -18.419 6.636 1.00 71.02 C ATOM 1214 C ILE A 79 9.040 -19.704 7.079 1.00 14.23 C ATOM 1215 O ILE A 79 7.956 -20.035 6.598 1.00 34.24 O ATOM 1216 CB ILE A 79 9.044 -17.219 7.314 1.00 32.22 C ATOM 1217 CG1 ILE A 79 9.721 -15.912 6.896 1.00 73.43 C ATOM 1218 CG2 ILE A 79 9.075 -17.377 8.827 1.00 33.11 C ATOM 1219 CD1 ILE A 79 8.813 -14.706 6.986 1.00 51.24 C ATOM 0 H ILE A 79 8.815 -18.484 4.751 1.00 53.50 H new ATOM 0 HA ILE A 79 10.777 -18.448 6.941 1.00 71.02 H new ATOM 0 HB ILE A 79 8.003 -17.186 6.992 1.00 32.22 H new ATOM 0 HG12 ILE A 79 10.595 -15.747 7.527 1.00 73.43 H new ATOM 0 HG13 ILE A 79 10.081 -16.010 5.872 1.00 73.43 H new ATOM 0 HG21 ILE A 79 8.586 -16.521 9.292 1.00 33.11 H new ATOM 0 HG22 ILE A 79 8.552 -18.291 9.108 1.00 33.11 H new ATOM 0 HG23 ILE A 79 10.109 -17.432 9.166 1.00 33.11 H new ATOM 0 HD11 ILE A 79 9.359 -13.815 6.675 1.00 51.24 H new ATOM 0 HD12 ILE A 79 7.951 -14.850 6.334 1.00 51.24 H new ATOM 0 HD13 ILE A 79 8.473 -14.582 8.014 1.00 51.24 H new ATOM 1231 N ILE A 80 9.673 -20.422 8.000 1.00 21.32 N ATOM 1232 CA ILE A 80 9.117 -21.669 8.511 1.00 24.30 C ATOM 1233 C ILE A 80 8.454 -21.460 9.868 1.00 73.31 C ATOM 1234 O ILE A 80 8.958 -20.716 10.709 1.00 72.24 O ATOM 1235 CB ILE A 80 10.201 -22.756 8.644 1.00 51.31 C ATOM 1236 CG1 ILE A 80 10.621 -23.260 7.262 1.00 75.13 C ATOM 1237 CG2 ILE A 80 9.696 -23.905 9.502 1.00 34.55 C ATOM 1238 CD1 ILE A 80 9.655 -24.260 6.665 1.00 64.40 C ATOM 0 H ILE A 80 10.571 -20.162 8.408 1.00 21.32 H new ATOM 0 HA ILE A 80 8.369 -21.999 7.791 1.00 24.30 H new ATOM 0 HB ILE A 80 11.073 -22.321 9.131 1.00 51.31 H new ATOM 0 HG12 ILE A 80 10.715 -22.409 6.587 1.00 75.13 H new ATOM 0 HG13 ILE A 80 11.607 -23.719 7.335 1.00 75.13 H new ATOM 0 HG21 ILE A 80 10.473 -24.665 9.587 1.00 34.55 H new ATOM 0 HG22 ILE A 80 9.442 -23.534 10.495 1.00 34.55 H new ATOM 0 HG23 ILE A 80 8.810 -24.342 9.041 1.00 34.55 H new ATOM 0 HD11 ILE A 80 10.016 -24.574 5.686 1.00 64.40 H new ATOM 0 HD12 ILE A 80 9.579 -25.128 7.320 1.00 64.40 H new ATOM 0 HD13 ILE A 80 8.673 -23.799 6.559 1.00 64.40 H new ATOM 1250 N MET A 81 7.321 -22.124 10.075 1.00 52.32 N ATOM 1251 CA MET A 81 6.589 -22.013 11.332 1.00 44.15 C ATOM 1252 C MET A 81 6.342 -23.390 11.940 1.00 43.31 C ATOM 1253 O MET A 81 5.780 -24.274 11.293 1.00 33.14 O ATOM 1254 CB MET A 81 5.257 -21.294 11.109 1.00 23.04 C ATOM 1255 CG MET A 81 5.336 -19.790 11.318 1.00 61.43 C ATOM 1256 SD MET A 81 4.743 -18.860 9.892 1.00 42.43 S ATOM 1257 CE MET A 81 3.140 -19.616 9.637 1.00 54.31 C ATOM 0 H MET A 81 6.890 -22.744 9.389 1.00 52.32 H new ATOM 0 HA MET A 81 7.195 -21.432 12.027 1.00 44.15 H new ATOM 0 HB2 MET A 81 4.911 -21.494 10.095 1.00 23.04 H new ATOM 0 HB3 MET A 81 4.512 -21.708 11.788 1.00 23.04 H new ATOM 0 HG2 MET A 81 4.749 -19.517 12.195 1.00 61.43 H new ATOM 0 HG3 MET A 81 6.369 -19.510 11.526 1.00 61.43 H new ATOM 0 HE1 MET A 81 2.562 -19.016 8.934 1.00 54.31 H new ATOM 0 HE2 MET A 81 3.271 -20.620 9.234 1.00 54.31 H new ATOM 0 HE3 MET A 81 2.609 -19.673 10.587 1.00 54.31 H new ATOM 1267 N THR A 82 6.767 -23.566 13.188 1.00 54.54 N ATOM 1268 CA THR A 82 6.593 -24.835 13.882 1.00 13.23 C ATOM 1269 C THR A 82 7.197 -24.783 15.281 1.00 63.53 C ATOM 1270 O THR A 82 6.509 -24.478 16.254 1.00 73.50 O ATOM 1271 CB THR A 82 7.235 -25.996 13.100 1.00 11.00 C ATOM 1272 OG1 THR A 82 7.525 -27.083 13.986 1.00 14.34 O ATOM 1273 CG2 THR A 82 8.513 -25.543 12.411 1.00 51.34 C ATOM 0 H THR A 82 7.234 -22.845 13.738 1.00 54.54 H new ATOM 0 HA THR A 82 5.520 -25.009 13.959 1.00 13.23 H new ATOM 0 HB THR A 82 6.528 -26.327 12.339 1.00 11.00 H new ATOM 0 HG1 THR A 82 6.755 -27.688 14.024 1.00 14.34 H new ATOM 0 HG21 THR A 82 8.948 -26.380 11.865 1.00 51.34 H new ATOM 0 HG22 THR A 82 8.285 -24.735 11.715 1.00 51.34 H new ATOM 0 HG23 THR A 82 9.223 -25.188 13.158 1.00 51.34 H new ATOM 1281 N ALA A 83 8.489 -25.083 15.373 1.00 33.24 N ATOM 1282 CA ALA A 83 9.186 -25.068 16.653 1.00 25.31 C ATOM 1283 C ALA A 83 8.578 -26.077 17.622 1.00 42.22 C ATOM 1284 O ALA A 83 7.894 -25.703 18.575 1.00 54.34 O ATOM 1285 CB ALA A 83 9.156 -23.671 17.255 1.00 71.14 C ATOM 0 H ALA A 83 9.073 -25.339 14.577 1.00 33.24 H new ATOM 0 HA ALA A 83 10.223 -25.353 16.476 1.00 25.31 H new ATOM 0 HB1 ALA A 83 9.680 -23.675 18.211 1.00 71.14 H new ATOM 0 HB2 ALA A 83 9.644 -22.972 16.576 1.00 71.14 H new ATOM 0 HB3 ALA A 83 8.122 -23.364 17.410 1.00 71.14 H new ATOM 1291 N HIS A 84 8.832 -27.358 17.372 1.00 54.41 N ATOM 1292 CA HIS A 84 8.308 -28.421 18.223 1.00 43.44 C ATOM 1293 C HIS A 84 8.760 -29.789 17.722 1.00 73.23 C ATOM 1294 O HIS A 84 9.008 -30.699 18.512 1.00 31.53 O ATOM 1295 CB HIS A 84 6.781 -28.360 18.270 1.00 43.04 C ATOM 1296 CG HIS A 84 6.136 -28.473 16.923 1.00 74.31 C ATOM 1297 ND1 HIS A 84 5.963 -29.675 16.270 1.00 70.42 N ATOM 1298 CD2 HIS A 84 5.618 -27.526 16.107 1.00 51.42 C ATOM 1299 CE1 HIS A 84 5.369 -29.462 15.109 1.00 34.15 C ATOM 1300 NE2 HIS A 84 5.148 -28.166 14.986 1.00 11.45 N ATOM 0 H HIS A 84 9.397 -27.685 16.588 1.00 54.41 H new ATOM 0 HA HIS A 84 8.700 -28.274 19.229 1.00 43.44 H new ATOM 0 HB2 HIS A 84 6.413 -29.163 18.909 1.00 43.04 H new ATOM 0 HB3 HIS A 84 6.477 -27.421 18.732 1.00 43.04 H new ATOM 0 HD2 HIS A 84 5.581 -26.464 16.301 1.00 51.42 H new ATOM 0 HE1 HIS A 84 5.109 -30.219 14.384 1.00 34.15 H new ATOM 0 HE2 HIS A 84 4.701 -27.714 14.188 1.00 11.45 H new ATOM 1308 N SER A 85 8.863 -29.927 16.404 1.00 61.13 N ATOM 1309 CA SER A 85 9.280 -31.186 15.797 1.00 0.02 C ATOM 1310 C SER A 85 9.749 -30.968 14.362 1.00 60.41 C ATOM 1311 O SER A 85 9.652 -31.864 13.523 1.00 74.02 O ATOM 1312 CB SER A 85 8.130 -32.194 15.823 1.00 73.44 C ATOM 1313 OG SER A 85 7.439 -32.149 17.059 1.00 23.43 O ATOM 0 H SER A 85 8.663 -29.183 15.736 1.00 61.13 H new ATOM 0 HA SER A 85 10.114 -31.582 16.377 1.00 0.02 H new ATOM 0 HB2 SER A 85 7.438 -31.982 15.008 1.00 73.44 H new ATOM 0 HB3 SER A 85 8.519 -33.199 15.657 1.00 73.44 H new ATOM 0 HG SER A 85 6.817 -31.392 17.059 1.00 23.43 H new ATOM 1319 N ASP A 86 10.258 -29.772 14.088 1.00 71.45 N ATOM 1320 CA ASP A 86 10.744 -29.436 12.754 1.00 14.43 C ATOM 1321 C ASP A 86 11.995 -28.567 12.835 1.00 22.13 C ATOM 1322 O ASP A 86 12.933 -28.736 12.054 1.00 15.12 O ATOM 1323 CB ASP A 86 9.656 -28.711 11.960 1.00 73.31 C ATOM 1324 CG ASP A 86 8.866 -29.651 11.071 1.00 75.24 C ATOM 1325 OD1 ASP A 86 9.289 -29.874 9.917 1.00 44.31 O ATOM 1326 OD2 ASP A 86 7.824 -30.165 11.529 1.00 53.15 O ATOM 0 H ASP A 86 10.345 -29.019 14.771 1.00 71.45 H new ATOM 0 HA ASP A 86 11.000 -30.364 12.243 1.00 14.43 H new ATOM 0 HB2 ASP A 86 8.977 -28.212 12.651 1.00 73.31 H new ATOM 0 HB3 ASP A 86 10.114 -27.934 11.347 1.00 73.31 H new ATOM 1331 N LEU A 87 12.003 -27.637 13.784 1.00 62.22 N ATOM 1332 CA LEU A 87 13.139 -26.741 13.967 1.00 44.44 C ATOM 1333 C LEU A 87 14.450 -27.520 13.987 1.00 64.02 C ATOM 1334 O LEU A 87 15.411 -27.157 13.308 1.00 52.53 O ATOM 1335 CB LEU A 87 12.984 -25.947 15.265 1.00 25.23 C ATOM 1336 CG LEU A 87 12.600 -24.475 15.111 1.00 64.32 C ATOM 1337 CD1 LEU A 87 11.294 -24.342 14.343 1.00 22.14 C ATOM 1338 CD2 LEU A 87 12.491 -23.807 16.474 1.00 41.25 C ATOM 0 H LEU A 87 11.236 -27.484 14.438 1.00 62.22 H new ATOM 0 HA LEU A 87 13.163 -26.048 13.126 1.00 44.44 H new ATOM 0 HB2 LEU A 87 12.228 -26.437 15.878 1.00 25.23 H new ATOM 0 HB3 LEU A 87 13.924 -26.001 15.814 1.00 25.23 H new ATOM 0 HG LEU A 87 13.383 -23.972 14.544 1.00 64.32 H new ATOM 0 HD11 LEU A 87 11.036 -23.288 14.243 1.00 22.14 H new ATOM 0 HD12 LEU A 87 11.408 -24.783 13.353 1.00 22.14 H new ATOM 0 HD13 LEU A 87 10.501 -24.860 14.882 1.00 22.14 H new ATOM 0 HD21 LEU A 87 12.217 -22.760 16.345 1.00 41.25 H new ATOM 0 HD22 LEU A 87 11.728 -24.312 17.066 1.00 41.25 H new ATOM 0 HD23 LEU A 87 13.450 -23.870 16.988 1.00 41.25 H new ATOM 1350 N ASP A 88 14.482 -28.594 14.768 1.00 0.11 N ATOM 1351 CA ASP A 88 15.674 -29.427 14.874 1.00 20.43 C ATOM 1352 C ASP A 88 16.269 -29.703 13.497 1.00 51.11 C ATOM 1353 O ASP A 88 17.487 -29.701 13.325 1.00 64.24 O ATOM 1354 CB ASP A 88 15.339 -30.747 15.572 1.00 4.52 C ATOM 1355 CG ASP A 88 16.388 -31.813 15.327 1.00 23.43 C ATOM 1356 OD1 ASP A 88 17.538 -31.631 15.781 1.00 72.04 O ATOM 1357 OD2 ASP A 88 16.060 -32.831 14.683 1.00 35.20 O ATOM 0 H ASP A 88 13.696 -28.908 15.337 1.00 0.11 H new ATOM 0 HA ASP A 88 16.412 -28.888 15.467 1.00 20.43 H new ATOM 0 HB2 ASP A 88 15.244 -30.574 16.644 1.00 4.52 H new ATOM 0 HB3 ASP A 88 14.372 -31.106 15.220 1.00 4.52 H new ATOM 1362 N ALA A 89 15.400 -29.940 12.519 1.00 23.35 N ATOM 1363 CA ALA A 89 15.840 -30.217 11.157 1.00 14.44 C ATOM 1364 C ALA A 89 16.003 -28.927 10.361 1.00 54.42 C ATOM 1365 O ALA A 89 17.026 -28.711 9.713 1.00 63.44 O ATOM 1366 CB ALA A 89 14.855 -31.147 10.464 1.00 44.21 C ATOM 0 H ALA A 89 14.388 -29.946 12.645 1.00 23.35 H new ATOM 0 HA ALA A 89 16.812 -30.708 11.207 1.00 14.44 H new ATOM 0 HB1 ALA A 89 15.195 -31.346 9.448 1.00 44.21 H new ATOM 0 HB2 ALA A 89 14.791 -32.085 11.015 1.00 44.21 H new ATOM 0 HB3 ALA A 89 13.872 -30.677 10.432 1.00 44.21 H new ATOM 1372 N ALA A 90 14.986 -28.072 10.413 1.00 3.23 N ATOM 1373 CA ALA A 90 15.018 -26.802 9.698 1.00 61.44 C ATOM 1374 C ALA A 90 16.304 -26.038 9.993 1.00 52.40 C ATOM 1375 O ALA A 90 16.828 -25.329 9.134 1.00 53.44 O ATOM 1376 CB ALA A 90 13.805 -25.960 10.063 1.00 72.12 C ATOM 0 H ALA A 90 14.130 -28.236 10.943 1.00 3.23 H new ATOM 0 HA ALA A 90 14.990 -27.014 8.629 1.00 61.44 H new ATOM 0 HB1 ALA A 90 13.842 -25.015 9.522 1.00 72.12 H new ATOM 0 HB2 ALA A 90 12.895 -26.497 9.794 1.00 72.12 H new ATOM 0 HB3 ALA A 90 13.807 -25.764 11.135 1.00 72.12 H new ATOM 1382 N VAL A 91 16.808 -26.185 11.214 1.00 35.22 N ATOM 1383 CA VAL A 91 18.033 -25.508 11.623 1.00 74.41 C ATOM 1384 C VAL A 91 19.123 -25.660 10.568 1.00 75.41 C ATOM 1385 O VAL A 91 19.635 -24.672 10.043 1.00 55.24 O ATOM 1386 CB VAL A 91 18.554 -26.054 12.966 1.00 53.41 C ATOM 1387 CG1 VAL A 91 19.979 -25.586 13.215 1.00 4.31 C ATOM 1388 CG2 VAL A 91 17.638 -25.629 14.104 1.00 31.40 C ATOM 0 H VAL A 91 16.387 -26.767 11.938 1.00 35.22 H new ATOM 0 HA VAL A 91 17.788 -24.452 11.739 1.00 74.41 H new ATOM 0 HB VAL A 91 18.557 -27.143 12.920 1.00 53.41 H new ATOM 0 HG11 VAL A 91 20.330 -25.981 14.168 1.00 4.31 H new ATOM 0 HG12 VAL A 91 20.625 -25.944 12.413 1.00 4.31 H new ATOM 0 HG13 VAL A 91 20.005 -24.497 13.242 1.00 4.31 H new ATOM 0 HG21 VAL A 91 18.021 -26.023 15.046 1.00 31.40 H new ATOM 0 HG22 VAL A 91 17.601 -24.541 14.154 1.00 31.40 H new ATOM 0 HG23 VAL A 91 16.635 -26.018 13.929 1.00 31.40 H new ATOM 1398 N SER A 92 19.473 -26.906 10.262 1.00 53.43 N ATOM 1399 CA SER A 92 20.505 -27.188 9.271 1.00 12.30 C ATOM 1400 C SER A 92 19.907 -27.263 7.870 1.00 54.45 C ATOM 1401 O SER A 92 20.468 -26.728 6.914 1.00 61.22 O ATOM 1402 CB SER A 92 21.217 -28.500 9.605 1.00 73.12 C ATOM 1403 OG SER A 92 21.970 -28.967 8.499 1.00 22.12 O ATOM 0 H SER A 92 19.057 -27.735 10.686 1.00 53.43 H new ATOM 0 HA SER A 92 21.229 -26.374 9.295 1.00 12.30 H new ATOM 0 HB2 SER A 92 21.875 -28.352 10.461 1.00 73.12 H new ATOM 0 HB3 SER A 92 20.483 -29.253 9.893 1.00 73.12 H new ATOM 0 HG SER A 92 22.417 -29.806 8.738 1.00 22.12 H new ATOM 1409 N ALA A 93 18.763 -27.930 7.756 1.00 21.30 N ATOM 1410 CA ALA A 93 18.087 -28.074 6.473 1.00 73.21 C ATOM 1411 C ALA A 93 17.699 -26.715 5.901 1.00 0.21 C ATOM 1412 O ALA A 93 18.184 -26.315 4.842 1.00 10.45 O ATOM 1413 CB ALA A 93 16.856 -28.957 6.621 1.00 23.01 C ATOM 0 H ALA A 93 18.285 -28.379 8.537 1.00 21.30 H new ATOM 0 HA ALA A 93 18.779 -28.548 5.777 1.00 73.21 H new ATOM 0 HB1 ALA A 93 16.361 -29.056 5.655 1.00 23.01 H new ATOM 0 HB2 ALA A 93 17.156 -29.942 6.978 1.00 23.01 H new ATOM 0 HB3 ALA A 93 16.169 -28.506 7.337 1.00 23.01 H new ATOM 1419 N TYR A 94 16.822 -26.010 6.607 1.00 3.41 N ATOM 1420 CA TYR A 94 16.367 -24.696 6.168 1.00 41.03 C ATOM 1421 C TYR A 94 17.549 -23.762 5.928 1.00 2.34 C ATOM 1422 O TYR A 94 17.433 -22.769 5.211 1.00 2.51 O ATOM 1423 CB TYR A 94 15.423 -24.087 7.206 1.00 41.34 C ATOM 1424 CG TYR A 94 14.448 -23.088 6.625 1.00 52.13 C ATOM 1425 CD1 TYR A 94 13.781 -23.350 5.434 1.00 21.41 C ATOM 1426 CD2 TYR A 94 14.194 -21.882 7.265 1.00 13.44 C ATOM 1427 CE1 TYR A 94 12.890 -22.441 4.899 1.00 53.30 C ATOM 1428 CE2 TYR A 94 13.303 -20.967 6.738 1.00 12.25 C ATOM 1429 CZ TYR A 94 12.654 -21.251 5.555 1.00 14.31 C ATOM 1430 OH TYR A 94 11.766 -20.341 5.026 1.00 25.32 O ATOM 0 H TYR A 94 16.412 -26.326 7.486 1.00 3.41 H new ATOM 0 HA TYR A 94 15.830 -24.821 5.228 1.00 41.03 H new ATOM 0 HB2 TYR A 94 14.864 -24.888 7.691 1.00 41.34 H new ATOM 0 HB3 TYR A 94 16.014 -23.597 7.980 1.00 41.34 H new ATOM 0 HD1 TYR A 94 13.963 -24.281 4.918 1.00 21.41 H new ATOM 0 HD2 TYR A 94 14.702 -21.655 8.191 1.00 13.44 H new ATOM 0 HE1 TYR A 94 12.381 -22.661 3.972 1.00 53.30 H new ATOM 0 HE2 TYR A 94 13.116 -20.035 7.250 1.00 12.25 H new ATOM 0 HH TYR A 94 11.962 -19.449 5.380 1.00 25.32 H new ATOM 1440 N GLN A 95 18.686 -24.089 6.535 1.00 71.15 N ATOM 1441 CA GLN A 95 19.890 -23.280 6.388 1.00 52.21 C ATOM 1442 C GLN A 95 20.464 -23.409 4.981 1.00 5.20 C ATOM 1443 O GLN A 95 21.513 -22.841 4.675 1.00 73.50 O ATOM 1444 CB GLN A 95 20.939 -23.697 7.420 1.00 12.42 C ATOM 1445 CG GLN A 95 21.073 -22.722 8.579 1.00 11.10 C ATOM 1446 CD GLN A 95 21.887 -21.495 8.218 1.00 12.14 C ATOM 1447 OE1 GLN A 95 22.655 -21.506 7.256 1.00 54.12 O ATOM 1448 NE2 GLN A 95 21.723 -20.427 8.991 1.00 71.31 N ATOM 0 H GLN A 95 18.798 -24.908 7.133 1.00 71.15 H new ATOM 0 HA GLN A 95 19.620 -22.237 6.556 1.00 52.21 H new ATOM 0 HB2 GLN A 95 20.680 -24.681 7.812 1.00 12.42 H new ATOM 0 HB3 GLN A 95 21.905 -23.795 6.925 1.00 12.42 H new ATOM 0 HG2 GLN A 95 20.080 -22.412 8.905 1.00 11.10 H new ATOM 0 HG3 GLN A 95 21.541 -23.229 9.423 1.00 11.10 H new ATOM 0 HE21 GLN A 95 21.076 -20.462 9.778 1.00 71.31 H new ATOM 0 HE22 GLN A 95 22.244 -19.572 8.797 1.00 71.31 H new ATOM 1457 N GLN A 96 19.771 -24.158 4.130 1.00 20.54 N ATOM 1458 CA GLN A 96 20.214 -24.362 2.756 1.00 31.22 C ATOM 1459 C GLN A 96 19.981 -23.110 1.918 1.00 41.32 C ATOM 1460 O GLN A 96 19.807 -23.188 0.702 1.00 2.54 O ATOM 1461 CB GLN A 96 19.481 -25.551 2.133 1.00 72.23 C ATOM 1462 CG GLN A 96 20.057 -26.900 2.534 1.00 14.43 C ATOM 1463 CD GLN A 96 21.392 -27.184 1.875 1.00 54.13 C ATOM 1464 OE1 GLN A 96 21.448 -27.676 0.747 1.00 13.22 O ATOM 1465 NE2 GLN A 96 22.476 -26.875 2.576 1.00 43.04 N ATOM 0 H GLN A 96 18.901 -24.634 4.368 1.00 20.54 H new ATOM 0 HA GLN A 96 21.283 -24.572 2.773 1.00 31.22 H new ATOM 0 HB2 GLN A 96 18.431 -25.513 2.424 1.00 72.23 H new ATOM 0 HB3 GLN A 96 19.515 -25.459 1.047 1.00 72.23 H new ATOM 0 HG2 GLN A 96 20.177 -26.932 3.617 1.00 14.43 H new ATOM 0 HG3 GLN A 96 19.350 -27.686 2.268 1.00 14.43 H new ATOM 0 HE21 GLN A 96 22.383 -26.469 3.507 1.00 43.04 H new ATOM 0 HE22 GLN A 96 23.402 -27.044 2.184 1.00 43.04 H new ATOM 1474 N GLY A 97 19.979 -21.955 2.576 1.00 14.53 N ATOM 1475 CA GLY A 97 19.766 -20.702 1.876 1.00 54.34 C ATOM 1476 C GLY A 97 18.403 -20.103 2.160 1.00 14.44 C ATOM 1477 O GLY A 97 17.801 -19.471 1.292 1.00 21.12 O ATOM 0 H GLY A 97 20.121 -21.865 3.582 1.00 14.53 H new ATOM 0 HA2 GLY A 97 20.539 -19.991 2.167 1.00 54.34 H new ATOM 0 HA3 GLY A 97 19.871 -20.866 0.804 1.00 54.34 H new ATOM 1481 N ALA A 98 17.913 -20.302 3.380 1.00 64.12 N ATOM 1482 CA ALA A 98 16.613 -19.777 3.777 1.00 40.53 C ATOM 1483 C ALA A 98 16.762 -18.666 4.811 1.00 42.33 C ATOM 1484 O ALA A 98 17.840 -18.466 5.371 1.00 20.33 O ATOM 1485 CB ALA A 98 15.736 -20.894 4.322 1.00 3.03 C ATOM 0 H ALA A 98 18.398 -20.823 4.110 1.00 64.12 H new ATOM 0 HA ALA A 98 16.135 -19.354 2.894 1.00 40.53 H new ATOM 0 HB1 ALA A 98 14.768 -20.487 4.615 1.00 3.03 H new ATOM 0 HB2 ALA A 98 15.593 -21.653 3.553 1.00 3.03 H new ATOM 0 HB3 ALA A 98 16.218 -21.344 5.190 1.00 3.03 H new ATOM 1491 N PHE A 99 15.674 -17.944 5.058 1.00 31.45 N ATOM 1492 CA PHE A 99 15.684 -16.852 6.024 1.00 4.14 C ATOM 1493 C PHE A 99 15.275 -17.346 7.409 1.00 63.12 C ATOM 1494 O PHE A 99 14.518 -18.308 7.538 1.00 72.04 O ATOM 1495 CB PHE A 99 14.744 -15.733 5.571 1.00 20.22 C ATOM 1496 CG PHE A 99 14.395 -14.764 6.664 1.00 31.03 C ATOM 1497 CD1 PHE A 99 15.282 -13.765 7.032 1.00 20.42 C ATOM 1498 CD2 PHE A 99 13.180 -14.852 7.324 1.00 33.02 C ATOM 1499 CE1 PHE A 99 14.964 -12.872 8.037 1.00 12.44 C ATOM 1500 CE2 PHE A 99 12.856 -13.961 8.330 1.00 52.13 C ATOM 1501 CZ PHE A 99 13.749 -12.970 8.688 1.00 64.33 C ATOM 0 H PHE A 99 14.774 -18.096 4.602 1.00 31.45 H new ATOM 0 HA PHE A 99 16.700 -16.462 6.083 1.00 4.14 H new ATOM 0 HB2 PHE A 99 15.209 -15.189 4.749 1.00 20.22 H new ATOM 0 HB3 PHE A 99 13.827 -16.175 5.182 1.00 20.22 H new ATOM 0 HD1 PHE A 99 16.233 -13.684 6.527 1.00 20.42 H new ATOM 0 HD2 PHE A 99 12.478 -15.625 7.049 1.00 33.02 H new ATOM 0 HE1 PHE A 99 15.664 -12.098 8.314 1.00 12.44 H new ATOM 0 HE2 PHE A 99 11.905 -14.040 8.836 1.00 52.13 H new ATOM 0 HZ PHE A 99 13.498 -12.274 9.475 1.00 64.33 H new ATOM 1511 N ASP A 100 15.782 -16.681 8.441 1.00 23.42 N ATOM 1512 CA ASP A 100 15.470 -17.052 9.817 1.00 41.43 C ATOM 1513 C ASP A 100 13.982 -17.347 9.975 1.00 20.45 C ATOM 1514 O ASP A 100 13.139 -16.480 9.748 1.00 14.44 O ATOM 1515 CB ASP A 100 15.886 -15.934 10.775 1.00 73.30 C ATOM 1516 CG ASP A 100 15.862 -16.376 12.225 1.00 75.30 C ATOM 1517 OD1 ASP A 100 15.411 -17.510 12.492 1.00 44.03 O ATOM 1518 OD2 ASP A 100 16.292 -15.588 13.093 1.00 31.11 O ATOM 0 H ASP A 100 16.411 -15.883 8.351 1.00 23.42 H new ATOM 0 HA ASP A 100 16.029 -17.955 10.061 1.00 41.43 H new ATOM 0 HB2 ASP A 100 16.889 -15.594 10.518 1.00 73.30 H new ATOM 0 HB3 ASP A 100 15.218 -15.082 10.647 1.00 73.30 H new ATOM 1523 N TYR A 101 13.667 -18.577 10.365 1.00 21.54 N ATOM 1524 CA TYR A 101 12.281 -18.989 10.551 1.00 14.00 C ATOM 1525 C TYR A 101 11.715 -18.427 11.852 1.00 62.40 C ATOM 1526 O TYR A 101 12.445 -17.864 12.668 1.00 25.04 O ATOM 1527 CB TYR A 101 12.176 -20.515 10.553 1.00 55.00 C ATOM 1528 CG TYR A 101 13.248 -21.195 11.374 1.00 14.33 C ATOM 1529 CD1 TYR A 101 13.461 -20.843 12.702 1.00 40.24 C ATOM 1530 CD2 TYR A 101 14.048 -22.188 10.823 1.00 13.13 C ATOM 1531 CE1 TYR A 101 14.440 -21.461 13.456 1.00 52.42 C ATOM 1532 CE2 TYR A 101 15.028 -22.812 11.570 1.00 32.04 C ATOM 1533 CZ TYR A 101 15.220 -22.445 12.886 1.00 42.20 C ATOM 1534 OH TYR A 101 16.196 -23.063 13.633 1.00 24.21 O ATOM 0 H TYR A 101 14.353 -19.306 10.559 1.00 21.54 H new ATOM 0 HA TYR A 101 11.697 -18.593 9.721 1.00 14.00 H new ATOM 0 HB2 TYR A 101 11.198 -20.803 10.938 1.00 55.00 H new ATOM 0 HB3 TYR A 101 12.233 -20.876 9.526 1.00 55.00 H new ATOM 0 HD1 TYR A 101 12.851 -20.074 13.152 1.00 40.24 H new ATOM 0 HD2 TYR A 101 13.901 -22.477 9.793 1.00 13.13 H new ATOM 0 HE1 TYR A 101 14.594 -21.175 14.486 1.00 52.42 H new ATOM 0 HE2 TYR A 101 15.641 -23.583 11.126 1.00 32.04 H new ATOM 0 HH TYR A 101 15.788 -23.748 14.202 1.00 24.21 H new ATOM 1544 N LEU A 102 10.409 -18.586 12.039 1.00 45.54 N ATOM 1545 CA LEU A 102 9.743 -18.096 13.240 1.00 5.45 C ATOM 1546 C LEU A 102 8.934 -19.205 13.905 1.00 51.51 C ATOM 1547 O LEU A 102 8.097 -19.856 13.280 1.00 53.45 O ATOM 1548 CB LEU A 102 8.830 -16.918 12.897 1.00 2.50 C ATOM 1549 CG LEU A 102 7.682 -16.652 13.871 1.00 1.04 C ATOM 1550 CD1 LEU A 102 8.205 -16.023 15.154 1.00 71.42 C ATOM 1551 CD2 LEU A 102 6.632 -15.759 13.227 1.00 34.03 C ATOM 0 H LEU A 102 9.791 -19.051 11.374 1.00 45.54 H new ATOM 0 HA LEU A 102 10.509 -17.761 13.939 1.00 5.45 H new ATOM 0 HB2 LEU A 102 9.441 -16.018 12.832 1.00 2.50 H new ATOM 0 HB3 LEU A 102 8.408 -17.088 11.907 1.00 2.50 H new ATOM 0 HG LEU A 102 7.216 -17.605 14.121 1.00 1.04 H new ATOM 0 HD11 LEU A 102 7.374 -15.841 15.835 1.00 71.42 H new ATOM 0 HD12 LEU A 102 8.919 -16.698 15.625 1.00 71.42 H new ATOM 0 HD13 LEU A 102 8.697 -15.079 14.922 1.00 71.42 H new ATOM 0 HD21 LEU A 102 5.823 -15.580 13.935 1.00 34.03 H new ATOM 0 HD22 LEU A 102 7.085 -14.808 12.947 1.00 34.03 H new ATOM 0 HD23 LEU A 102 6.235 -16.248 12.337 1.00 34.03 H new ATOM 1563 N PRO A 103 9.186 -19.425 15.204 1.00 41.33 N ATOM 1564 CA PRO A 103 8.489 -20.453 15.982 1.00 1.22 C ATOM 1565 C PRO A 103 7.025 -20.103 16.225 1.00 11.10 C ATOM 1566 O PRO A 103 6.631 -18.940 16.138 1.00 51.31 O ATOM 1567 CB PRO A 103 9.259 -20.479 17.305 1.00 60.01 C ATOM 1568 CG PRO A 103 9.863 -19.122 17.419 1.00 41.04 C ATOM 1569 CD PRO A 103 10.171 -18.687 16.013 1.00 53.45 C ATOM 0 HA PRO A 103 8.470 -21.412 15.465 1.00 1.22 H new ATOM 0 HB2 PRO A 103 8.596 -20.689 18.145 1.00 60.01 H new ATOM 0 HB3 PRO A 103 10.025 -21.254 17.302 1.00 60.01 H new ATOM 0 HG2 PRO A 103 9.175 -18.428 17.900 1.00 41.04 H new ATOM 0 HG3 PRO A 103 10.767 -19.147 18.027 1.00 41.04 H new ATOM 0 HD2 PRO A 103 10.063 -17.609 15.893 1.00 53.45 H new ATOM 0 HD3 PRO A 103 11.193 -18.938 15.729 1.00 53.45 H new ATOM 1577 N LYS A 104 6.222 -21.117 16.531 1.00 50.54 N ATOM 1578 CA LYS A 104 4.801 -20.917 16.788 1.00 12.31 C ATOM 1579 C LYS A 104 4.404 -21.508 18.137 1.00 11.00 C ATOM 1580 O LYS A 104 4.860 -22.582 18.529 1.00 32.33 O ATOM 1581 CB LYS A 104 3.965 -21.553 15.675 1.00 44.22 C ATOM 1582 CG LYS A 104 4.139 -20.880 14.324 1.00 12.12 C ATOM 1583 CD LYS A 104 2.829 -20.827 13.555 1.00 23.22 C ATOM 1584 CE LYS A 104 1.827 -19.899 14.224 1.00 2.21 C ATOM 1585 NZ LYS A 104 1.044 -19.117 13.227 1.00 22.14 N ATOM 0 H LYS A 104 6.532 -22.086 16.607 1.00 50.54 H new ATOM 0 HA LYS A 104 4.609 -19.844 16.810 1.00 12.31 H new ATOM 0 HB2 LYS A 104 4.235 -22.605 15.585 1.00 44.22 H new ATOM 0 HB3 LYS A 104 2.913 -21.517 15.957 1.00 44.22 H new ATOM 0 HG2 LYS A 104 4.520 -19.869 14.467 1.00 12.12 H new ATOM 0 HG3 LYS A 104 4.883 -21.421 13.740 1.00 12.12 H new ATOM 0 HD2 LYS A 104 3.017 -20.487 12.537 1.00 23.22 H new ATOM 0 HD3 LYS A 104 2.407 -21.829 13.484 1.00 23.22 H new ATOM 0 HE2 LYS A 104 1.146 -20.484 14.842 1.00 2.21 H new ATOM 0 HE3 LYS A 104 2.354 -19.215 14.890 1.00 2.21 H new ATOM 0 HZ1 LYS A 104 0.034 -19.155 13.472 1.00 22.14 H new ATOM 0 HZ2 LYS A 104 1.364 -18.128 13.233 1.00 22.14 H new ATOM 0 HZ3 LYS A 104 1.186 -19.521 12.279 1.00 22.14 H new ATOM 1599 N PRO A 105 3.533 -20.793 18.865 1.00 42.35 N ATOM 1600 CA PRO A 105 2.984 -19.512 18.408 1.00 23.31 C ATOM 1601 C PRO A 105 4.032 -18.405 18.393 1.00 1.43 C ATOM 1602 O PRO A 105 5.216 -18.653 18.622 1.00 20.24 O ATOM 1603 CB PRO A 105 1.896 -19.205 19.440 1.00 70.02 C ATOM 1604 CG PRO A 105 2.320 -19.935 20.667 1.00 25.01 C ATOM 1605 CD PRO A 105 3.018 -21.178 20.189 1.00 71.41 C ATOM 0 HA PRO A 105 2.616 -19.568 17.384 1.00 23.31 H new ATOM 0 HB2 PRO A 105 1.817 -18.134 19.624 1.00 70.02 H new ATOM 0 HB3 PRO A 105 0.918 -19.543 19.097 1.00 70.02 H new ATOM 0 HG2 PRO A 105 2.986 -19.323 21.275 1.00 25.01 H new ATOM 0 HG3 PRO A 105 1.461 -20.185 21.289 1.00 25.01 H new ATOM 0 HD2 PRO A 105 3.823 -21.471 20.863 1.00 71.41 H new ATOM 0 HD3 PRO A 105 2.333 -22.023 20.123 1.00 71.41 H new ATOM 1613 N PHE A 106 3.589 -17.181 18.123 1.00 64.22 N ATOM 1614 CA PHE A 106 4.490 -16.035 18.078 1.00 53.03 C ATOM 1615 C PHE A 106 3.721 -14.731 18.273 1.00 71.51 C ATOM 1616 O PHE A 106 2.492 -14.727 18.341 1.00 74.54 O ATOM 1617 CB PHE A 106 5.242 -16.002 16.745 1.00 35.24 C ATOM 1618 CG PHE A 106 4.338 -16.035 15.546 1.00 12.32 C ATOM 1619 CD1 PHE A 106 3.556 -14.938 15.221 1.00 4.30 C ATOM 1620 CD2 PHE A 106 4.269 -17.163 14.744 1.00 3.33 C ATOM 1621 CE1 PHE A 106 2.724 -14.964 14.118 1.00 71.21 C ATOM 1622 CE2 PHE A 106 3.439 -17.195 13.640 1.00 41.22 C ATOM 1623 CZ PHE A 106 2.665 -16.095 13.327 1.00 55.20 C ATOM 0 H PHE A 106 2.612 -16.958 17.932 1.00 64.22 H new ATOM 0 HA PHE A 106 5.209 -16.138 18.891 1.00 53.03 H new ATOM 0 HB2 PHE A 106 5.854 -15.101 16.704 1.00 35.24 H new ATOM 0 HB3 PHE A 106 5.923 -16.852 16.700 1.00 35.24 H new ATOM 0 HD1 PHE A 106 3.597 -14.052 15.837 1.00 4.30 H new ATOM 0 HD2 PHE A 106 4.871 -18.027 14.985 1.00 3.33 H new ATOM 0 HE1 PHE A 106 2.121 -14.102 13.875 1.00 71.21 H new ATOM 0 HE2 PHE A 106 3.396 -18.080 13.022 1.00 41.22 H new ATOM 0 HZ PHE A 106 2.015 -16.119 12.465 1.00 55.20 H new ATOM 1633 N ASP A 107 4.454 -13.627 18.363 1.00 31.32 N ATOM 1634 CA ASP A 107 3.842 -12.317 18.550 1.00 4.33 C ATOM 1635 C ASP A 107 3.631 -11.619 17.210 1.00 33.50 C ATOM 1636 O ASP A 107 4.591 -11.269 16.524 1.00 51.34 O ATOM 1637 CB ASP A 107 4.714 -11.448 19.459 1.00 61.51 C ATOM 1638 CG ASP A 107 4.812 -12.001 20.867 1.00 14.45 C ATOM 1639 OD1 ASP A 107 5.219 -13.171 21.019 1.00 61.15 O ATOM 1640 OD2 ASP A 107 4.480 -11.262 21.819 1.00 75.42 O ATOM 0 H ASP A 107 5.473 -13.613 18.310 1.00 31.32 H new ATOM 0 HA ASP A 107 2.870 -12.462 19.021 1.00 4.33 H new ATOM 0 HB2 ASP A 107 5.714 -11.370 19.032 1.00 61.51 H new ATOM 0 HB3 ASP A 107 4.303 -10.439 19.496 1.00 61.51 H new ATOM 1645 N ILE A 108 2.369 -11.423 16.844 1.00 73.22 N ATOM 1646 CA ILE A 108 2.032 -10.768 15.586 1.00 32.20 C ATOM 1647 C ILE A 108 2.858 -9.502 15.387 1.00 63.21 C ATOM 1648 O ILE A 108 3.203 -9.145 14.261 1.00 44.45 O ATOM 1649 CB ILE A 108 0.536 -10.407 15.522 1.00 1.45 C ATOM 1650 CG1 ILE A 108 -0.306 -11.665 15.306 1.00 74.24 C ATOM 1651 CG2 ILE A 108 0.282 -9.395 14.415 1.00 63.34 C ATOM 1652 CD1 ILE A 108 -1.703 -11.564 15.878 1.00 41.50 C ATOM 0 H ILE A 108 1.563 -11.708 17.400 1.00 73.22 H new ATOM 0 HA ILE A 108 2.260 -11.477 14.790 1.00 32.20 H new ATOM 0 HB ILE A 108 0.245 -9.957 16.471 1.00 1.45 H new ATOM 0 HG12 ILE A 108 -0.374 -11.868 14.237 1.00 74.24 H new ATOM 0 HG13 ILE A 108 0.203 -12.515 15.760 1.00 74.24 H new ATOM 0 HG21 ILE A 108 -0.780 -9.150 14.383 1.00 63.34 H new ATOM 0 HG22 ILE A 108 0.857 -8.490 14.610 1.00 63.34 H new ATOM 0 HG23 ILE A 108 0.586 -9.819 13.458 1.00 63.34 H new ATOM 0 HD11 ILE A 108 -2.242 -12.492 15.688 1.00 41.50 H new ATOM 0 HD12 ILE A 108 -1.645 -11.392 16.953 1.00 41.50 H new ATOM 0 HD13 ILE A 108 -2.230 -10.735 15.406 1.00 41.50 H new ATOM 1664 N ASP A 109 3.174 -8.829 16.488 1.00 72.21 N ATOM 1665 CA ASP A 109 3.963 -7.604 16.435 1.00 11.03 C ATOM 1666 C ASP A 109 5.337 -7.868 15.828 1.00 61.31 C ATOM 1667 O ASP A 109 5.818 -7.097 14.999 1.00 51.25 O ATOM 1668 CB ASP A 109 4.117 -7.010 17.836 1.00 35.45 C ATOM 1669 CG ASP A 109 4.753 -5.635 17.816 1.00 44.21 C ATOM 1670 OD1 ASP A 109 4.044 -4.657 17.498 1.00 43.11 O ATOM 1671 OD2 ASP A 109 5.961 -5.536 18.119 1.00 53.14 O ATOM 0 H ASP A 109 2.896 -9.111 17.428 1.00 72.21 H new ATOM 0 HA ASP A 109 3.437 -6.890 15.802 1.00 11.03 H new ATOM 0 HB2 ASP A 109 3.138 -6.947 18.310 1.00 35.45 H new ATOM 0 HB3 ASP A 109 4.724 -7.679 18.446 1.00 35.45 H new ATOM 1676 N GLU A 110 5.964 -8.963 16.248 1.00 53.11 N ATOM 1677 CA GLU A 110 7.284 -9.327 15.746 1.00 15.11 C ATOM 1678 C GLU A 110 7.180 -9.998 14.380 1.00 71.53 C ATOM 1679 O GLU A 110 8.087 -9.894 13.555 1.00 71.13 O ATOM 1680 CB GLU A 110 7.989 -10.259 16.733 1.00 64.53 C ATOM 1681 CG GLU A 110 9.280 -9.687 17.295 1.00 52.14 C ATOM 1682 CD GLU A 110 9.825 -10.502 18.451 1.00 32.22 C ATOM 1683 OE1 GLU A 110 9.339 -11.633 18.661 1.00 24.33 O ATOM 1684 OE2 GLU A 110 10.737 -10.008 19.146 1.00 25.32 O ATOM 0 H GLU A 110 5.579 -9.613 16.934 1.00 53.11 H new ATOM 0 HA GLU A 110 7.869 -8.414 15.639 1.00 15.11 H new ATOM 0 HB2 GLU A 110 7.311 -10.481 17.557 1.00 64.53 H new ATOM 0 HB3 GLU A 110 8.207 -11.204 16.235 1.00 64.53 H new ATOM 0 HG2 GLU A 110 10.028 -9.642 16.503 1.00 52.14 H new ATOM 0 HG3 GLU A 110 9.105 -8.664 17.627 1.00 52.14 H new ATOM 1691 N ALA A 111 6.068 -10.688 14.149 1.00 74.41 N ATOM 1692 CA ALA A 111 5.844 -11.376 12.883 1.00 10.13 C ATOM 1693 C ALA A 111 5.664 -10.381 11.742 1.00 11.51 C ATOM 1694 O ALA A 111 6.375 -10.436 10.739 1.00 43.52 O ATOM 1695 CB ALA A 111 4.631 -12.289 12.986 1.00 63.12 C ATOM 0 H ALA A 111 5.308 -10.786 14.822 1.00 74.41 H new ATOM 0 HA ALA A 111 6.724 -11.982 12.666 1.00 10.13 H new ATOM 0 HB1 ALA A 111 4.475 -12.796 12.034 1.00 63.12 H new ATOM 0 HB2 ALA A 111 4.798 -13.029 13.768 1.00 63.12 H new ATOM 0 HB3 ALA A 111 3.749 -11.696 13.230 1.00 63.12 H new ATOM 1701 N VAL A 112 4.708 -9.471 11.902 1.00 73.04 N ATOM 1702 CA VAL A 112 4.434 -8.463 10.885 1.00 44.35 C ATOM 1703 C VAL A 112 5.711 -7.741 10.469 1.00 65.43 C ATOM 1704 O VAL A 112 5.879 -7.374 9.306 1.00 35.21 O ATOM 1705 CB VAL A 112 3.411 -7.425 11.384 1.00 61.25 C ATOM 1706 CG1 VAL A 112 3.412 -6.199 10.484 1.00 3.51 C ATOM 1707 CG2 VAL A 112 2.022 -8.041 11.458 1.00 50.32 C ATOM 0 H VAL A 112 4.110 -9.411 12.726 1.00 73.04 H new ATOM 0 HA VAL A 112 4.019 -8.987 10.024 1.00 44.35 H new ATOM 0 HB VAL A 112 3.698 -7.110 12.387 1.00 61.25 H new ATOM 0 HG11 VAL A 112 2.683 -5.477 10.852 1.00 3.51 H new ATOM 0 HG12 VAL A 112 4.404 -5.747 10.486 1.00 3.51 H new ATOM 0 HG13 VAL A 112 3.150 -6.493 9.468 1.00 3.51 H new ATOM 0 HG21 VAL A 112 1.311 -7.294 11.812 1.00 50.32 H new ATOM 0 HG22 VAL A 112 1.723 -8.385 10.468 1.00 50.32 H new ATOM 0 HG23 VAL A 112 2.035 -8.885 12.147 1.00 50.32 H new ATOM 1717 N ALA A 113 6.611 -7.542 11.427 1.00 73.13 N ATOM 1718 CA ALA A 113 7.875 -6.867 11.160 1.00 54.13 C ATOM 1719 C ALA A 113 8.903 -7.834 10.584 1.00 71.43 C ATOM 1720 O ALA A 113 9.747 -7.450 9.773 1.00 54.31 O ATOM 1721 CB ALA A 113 8.408 -6.222 12.431 1.00 75.33 C ATOM 0 H ALA A 113 6.488 -7.839 12.395 1.00 73.13 H new ATOM 0 HA ALA A 113 7.693 -6.088 10.419 1.00 54.13 H new ATOM 0 HB1 ALA A 113 9.352 -5.722 12.217 1.00 75.33 H new ATOM 0 HB2 ALA A 113 7.686 -5.493 12.799 1.00 75.33 H new ATOM 0 HB3 ALA A 113 8.568 -6.989 13.189 1.00 75.33 H new ATOM 1727 N LEU A 114 8.828 -9.091 11.007 1.00 31.24 N ATOM 1728 CA LEU A 114 9.753 -10.115 10.534 1.00 43.22 C ATOM 1729 C LEU A 114 9.693 -10.243 9.015 1.00 12.21 C ATOM 1730 O LEU A 114 10.724 -10.286 8.344 1.00 52.04 O ATOM 1731 CB LEU A 114 9.431 -11.461 11.184 1.00 62.52 C ATOM 1732 CG LEU A 114 10.201 -12.668 10.645 1.00 10.12 C ATOM 1733 CD1 LEU A 114 11.623 -12.678 11.185 1.00 72.23 C ATOM 1734 CD2 LEU A 114 9.484 -13.961 11.003 1.00 75.41 C ATOM 0 H LEU A 114 8.136 -9.426 11.677 1.00 31.24 H new ATOM 0 HA LEU A 114 10.763 -9.816 10.815 1.00 43.22 H new ATOM 0 HB2 LEU A 114 9.624 -11.381 12.254 1.00 62.52 H new ATOM 0 HB3 LEU A 114 8.365 -11.653 11.066 1.00 62.52 H new ATOM 0 HG LEU A 114 10.247 -12.590 9.559 1.00 10.12 H new ATOM 0 HD11 LEU A 114 12.156 -13.544 10.791 1.00 72.23 H new ATOM 0 HD12 LEU A 114 12.135 -11.766 10.878 1.00 72.23 H new ATOM 0 HD13 LEU A 114 11.599 -12.732 12.273 1.00 72.23 H new ATOM 0 HD21 LEU A 114 10.046 -14.809 10.612 1.00 75.41 H new ATOM 0 HD22 LEU A 114 9.407 -14.046 12.087 1.00 75.41 H new ATOM 0 HD23 LEU A 114 8.485 -13.956 10.567 1.00 75.41 H new ATOM 1746 N VAL A 115 8.478 -10.301 8.479 1.00 32.21 N ATOM 1747 CA VAL A 115 8.282 -10.421 7.039 1.00 3.32 C ATOM 1748 C VAL A 115 8.789 -9.181 6.311 1.00 63.00 C ATOM 1749 O VAL A 115 9.374 -9.279 5.233 1.00 55.35 O ATOM 1750 CB VAL A 115 6.798 -10.636 6.690 1.00 33.44 C ATOM 1751 CG1 VAL A 115 5.945 -9.516 7.266 1.00 4.05 C ATOM 1752 CG2 VAL A 115 6.614 -10.736 5.184 1.00 71.34 C ATOM 0 H VAL A 115 7.614 -10.267 9.021 1.00 32.21 H new ATOM 0 HA VAL A 115 8.853 -11.290 6.713 1.00 3.32 H new ATOM 0 HB VAL A 115 6.471 -11.575 7.136 1.00 33.44 H new ATOM 0 HG11 VAL A 115 4.900 -9.686 7.009 1.00 4.05 H new ATOM 0 HG12 VAL A 115 6.053 -9.497 8.350 1.00 4.05 H new ATOM 0 HG13 VAL A 115 6.270 -8.561 6.852 1.00 4.05 H new ATOM 0 HG21 VAL A 115 5.559 -10.888 4.956 1.00 71.34 H new ATOM 0 HG22 VAL A 115 6.958 -9.815 4.713 1.00 71.34 H new ATOM 0 HG23 VAL A 115 7.193 -11.577 4.802 1.00 71.34 H new ATOM 1762 N GLU A 116 8.562 -8.016 6.909 1.00 53.32 N ATOM 1763 CA GLU A 116 8.996 -6.756 6.316 1.00 73.10 C ATOM 1764 C GLU A 116 10.476 -6.810 5.947 1.00 15.44 C ATOM 1765 O GLU A 116 10.909 -6.179 4.983 1.00 1.33 O ATOM 1766 CB GLU A 116 8.741 -5.597 7.282 1.00 21.44 C ATOM 1767 CG GLU A 116 7.940 -4.460 6.671 1.00 33.24 C ATOM 1768 CD GLU A 116 7.583 -3.389 7.683 1.00 15.14 C ATOM 1769 OE1 GLU A 116 7.663 -3.670 8.898 1.00 72.24 O ATOM 1770 OE2 GLU A 116 7.223 -2.270 7.262 1.00 73.03 O ATOM 0 H GLU A 116 8.081 -7.918 7.803 1.00 53.32 H new ATOM 0 HA GLU A 116 8.418 -6.594 5.406 1.00 73.10 H new ATOM 0 HB2 GLU A 116 8.211 -5.974 8.157 1.00 21.44 H new ATOM 0 HB3 GLU A 116 9.698 -5.209 7.631 1.00 21.44 H new ATOM 0 HG2 GLU A 116 8.513 -4.011 5.860 1.00 33.24 H new ATOM 0 HG3 GLU A 116 7.026 -4.859 6.232 1.00 33.24 H new ATOM 1777 N ARG A 117 11.245 -7.567 6.722 1.00 2.34 N ATOM 1778 CA ARG A 117 12.676 -7.702 6.479 1.00 4.44 C ATOM 1779 C ARG A 117 12.938 -8.468 5.186 1.00 24.54 C ATOM 1780 O ARG A 117 13.835 -8.122 4.418 1.00 11.52 O ATOM 1781 CB ARG A 117 13.350 -8.415 7.653 1.00 34.03 C ATOM 1782 CG ARG A 117 12.868 -7.937 9.013 1.00 4.15 C ATOM 1783 CD ARG A 117 14.034 -7.612 9.934 1.00 22.23 C ATOM 1784 NE ARG A 117 14.225 -6.173 10.090 1.00 55.44 N ATOM 1785 CZ ARG A 117 13.376 -5.385 10.741 1.00 73.14 C ATOM 1786 NH1 ARG A 117 12.284 -5.895 11.294 1.00 23.33 N ATOM 1787 NH2 ARG A 117 13.618 -4.084 10.839 1.00 20.22 N ATOM 0 H ARG A 117 10.901 -8.096 7.523 1.00 2.34 H new ATOM 0 HA ARG A 117 13.098 -6.702 6.380 1.00 4.44 H new ATOM 0 HB2 ARG A 117 13.169 -9.487 7.569 1.00 34.03 H new ATOM 0 HB3 ARG A 117 14.428 -8.268 7.586 1.00 34.03 H new ATOM 0 HG2 ARG A 117 12.243 -7.052 8.889 1.00 4.15 H new ATOM 0 HG3 ARG A 117 12.245 -8.706 9.470 1.00 4.15 H new ATOM 0 HD2 ARG A 117 13.860 -8.062 10.911 1.00 22.23 H new ATOM 0 HD3 ARG A 117 14.946 -8.057 9.535 1.00 22.23 H new ATOM 0 HE ARG A 117 15.056 -5.749 9.677 1.00 55.44 H new ATOM 0 HH11 ARG A 117 12.094 -6.894 11.220 1.00 23.33 H new ATOM 0 HH12 ARG A 117 11.634 -5.288 11.793 1.00 23.33 H new ATOM 0 HH21 ARG A 117 14.456 -3.688 10.414 1.00 20.22 H new ATOM 0 HH22 ARG A 117 12.965 -3.480 11.339 1.00 20.22 H new ATOM 1801 N ALA A 118 12.150 -9.513 4.954 1.00 51.33 N ATOM 1802 CA ALA A 118 12.295 -10.327 3.754 1.00 64.41 C ATOM 1803 C ALA A 118 11.916 -9.539 2.505 1.00 11.33 C ATOM 1804 O ALA A 118 12.538 -9.688 1.453 1.00 52.41 O ATOM 1805 CB ALA A 118 11.447 -11.585 3.864 1.00 32.51 C ATOM 0 H ALA A 118 11.405 -9.815 5.581 1.00 51.33 H new ATOM 0 HA ALA A 118 13.343 -10.614 3.665 1.00 64.41 H new ATOM 0 HB1 ALA A 118 11.565 -12.183 2.961 1.00 32.51 H new ATOM 0 HB2 ALA A 118 11.768 -12.166 4.729 1.00 32.51 H new ATOM 0 HB3 ALA A 118 10.399 -11.308 3.982 1.00 32.51 H new ATOM 1811 N ILE A 119 10.892 -8.701 2.629 1.00 41.21 N ATOM 1812 CA ILE A 119 10.431 -7.889 1.510 1.00 53.22 C ATOM 1813 C ILE A 119 11.371 -6.715 1.258 1.00 14.44 C ATOM 1814 O ILE A 119 11.755 -6.446 0.120 1.00 34.30 O ATOM 1815 CB ILE A 119 9.009 -7.350 1.754 1.00 75.34 C ATOM 1816 CG1 ILE A 119 8.012 -8.507 1.855 1.00 62.11 C ATOM 1817 CG2 ILE A 119 8.606 -6.394 0.641 1.00 5.31 C ATOM 1818 CD1 ILE A 119 6.657 -8.093 2.385 1.00 4.11 C ATOM 0 H ILE A 119 10.366 -8.567 3.493 1.00 41.21 H new ATOM 0 HA ILE A 119 10.420 -8.537 0.634 1.00 53.22 H new ATOM 0 HB ILE A 119 9.001 -6.803 2.697 1.00 75.34 H new ATOM 0 HG12 ILE A 119 7.886 -8.955 0.869 1.00 62.11 H new ATOM 0 HG13 ILE A 119 8.427 -9.278 2.504 1.00 62.11 H new ATOM 0 HG21 ILE A 119 7.599 -6.022 0.828 1.00 5.31 H new ATOM 0 HG22 ILE A 119 9.303 -5.556 0.611 1.00 5.31 H new ATOM 0 HG23 ILE A 119 8.628 -6.918 -0.314 1.00 5.31 H new ATOM 0 HD11 ILE A 119 6.002 -8.963 2.429 1.00 4.11 H new ATOM 0 HD12 ILE A 119 6.770 -7.673 3.384 1.00 4.11 H new ATOM 0 HD13 ILE A 119 6.221 -7.344 1.724 1.00 4.11 H new ATOM 1830 N SER A 120 11.739 -6.019 2.329 1.00 11.42 N ATOM 1831 CA SER A 120 12.633 -4.871 2.225 1.00 72.31 C ATOM 1832 C SER A 120 14.010 -5.299 1.726 1.00 32.11 C ATOM 1833 O SER A 120 14.744 -4.505 1.138 1.00 42.41 O ATOM 1834 CB SER A 120 12.763 -4.174 3.581 1.00 71.34 C ATOM 1835 OG SER A 120 11.585 -3.452 3.898 1.00 64.50 O ATOM 0 H SER A 120 11.432 -6.230 3.279 1.00 11.42 H new ATOM 0 HA SER A 120 12.206 -4.173 1.506 1.00 72.31 H new ATOM 0 HB2 SER A 120 12.960 -4.914 4.357 1.00 71.34 H new ATOM 0 HB3 SER A 120 13.616 -3.495 3.564 1.00 71.34 H new ATOM 0 HG SER A 120 10.956 -4.041 4.364 1.00 64.50 H new ATOM 1841 N HIS A 121 14.353 -6.561 1.966 1.00 43.34 N ATOM 1842 CA HIS A 121 15.642 -7.096 1.541 1.00 51.13 C ATOM 1843 C HIS A 121 15.882 -6.822 0.059 1.00 30.30 C ATOM 1844 O HIS A 121 17.022 -6.658 -0.375 1.00 43.32 O ATOM 1845 CB HIS A 121 15.708 -8.599 1.811 1.00 74.42 C ATOM 1846 CG HIS A 121 17.094 -9.161 1.739 1.00 42.12 C ATOM 1847 ND1 HIS A 121 17.643 -9.665 0.579 1.00 73.15 N ATOM 1848 CD2 HIS A 121 18.046 -9.294 2.692 1.00 32.41 C ATOM 1849 CE1 HIS A 121 18.871 -10.086 0.822 1.00 61.14 C ATOM 1850 NE2 HIS A 121 19.140 -9.872 2.097 1.00 62.02 N ATOM 0 H HIS A 121 13.757 -7.231 2.452 1.00 43.34 H new ATOM 0 HA HIS A 121 16.422 -6.597 2.116 1.00 51.13 H new ATOM 0 HB2 HIS A 121 15.294 -8.801 2.799 1.00 74.42 H new ATOM 0 HB3 HIS A 121 15.077 -9.117 1.089 1.00 74.42 H new ATOM 0 HD2 HIS A 121 17.961 -9.000 3.728 1.00 32.41 H new ATOM 0 HE1 HIS A 121 19.541 -10.530 0.101 1.00 61.14 H new ATOM 0 HE2 HIS A 121 20.018 -10.099 2.564 1.00 62.02 H new ATOM 1858 N TYR A 122 14.801 -6.776 -0.712 1.00 0.04 N ATOM 1859 CA TYR A 122 14.894 -6.526 -2.145 1.00 4.30 C ATOM 1860 C TYR A 122 15.404 -5.114 -2.419 1.00 53.05 C ATOM 1861 O TYR A 122 16.555 -4.924 -2.812 1.00 15.44 O ATOM 1862 CB TYR A 122 13.531 -6.726 -2.809 1.00 20.12 C ATOM 1863 CG TYR A 122 13.135 -8.178 -2.953 1.00 22.22 C ATOM 1864 CD1 TYR A 122 14.000 -9.100 -3.531 1.00 33.14 C ATOM 1865 CD2 TYR A 122 11.897 -8.628 -2.512 1.00 70.41 C ATOM 1866 CE1 TYR A 122 13.642 -10.428 -3.665 1.00 3.20 C ATOM 1867 CE2 TYR A 122 11.532 -9.954 -2.641 1.00 73.40 C ATOM 1868 CZ TYR A 122 12.408 -10.850 -3.218 1.00 74.12 C ATOM 1869 OH TYR A 122 12.047 -12.172 -3.350 1.00 11.53 O ATOM 0 H TYR A 122 13.850 -6.909 -0.368 1.00 0.04 H new ATOM 0 HA TYR A 122 15.603 -7.238 -2.567 1.00 4.30 H new ATOM 0 HB2 TYR A 122 12.772 -6.207 -2.224 1.00 20.12 H new ATOM 0 HB3 TYR A 122 13.545 -6.262 -3.795 1.00 20.12 H new ATOM 0 HD1 TYR A 122 14.968 -8.773 -3.881 1.00 33.14 H new ATOM 0 HD2 TYR A 122 11.208 -7.929 -2.061 1.00 70.41 H new ATOM 0 HE1 TYR A 122 14.325 -11.131 -4.117 1.00 3.20 H new ATOM 0 HE2 TYR A 122 10.566 -10.288 -2.292 1.00 73.40 H new ATOM 0 HH TYR A 122 12.851 -12.732 -3.350 1.00 11.53 H new