USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot -11:sc= 0.835 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.924 K(o=-0.089,f=-2.7) USER MOD Set 2.1: A 18 HIS : no HE2:sc= 0.146 K(o=1.4,f=-0.31) USER MOD Set 2.2: A 21 SER OG : rot 82:sc= 1.24 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -0.64 X(o=-0.68,f=-0.4) USER MOD Set 3.2: A 69 SER OG : rot -130:sc= -0.0435 USER MOD Single : A 11 CYS SG : rot -170:sc= -0.904 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.11 (180deg=0.969) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0674 USER MOD Single : A 20 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -91:sc= 0.697 USER MOD Single : A 29 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00882 (180deg=-0.125) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.135 F(o=-0.99,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0.276 (180deg=0.247) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 98:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 77:sc= -2.49! USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 65 SER OG : rot 170:sc= -0.511 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc=-0.00471 F(o=-0.85,f=-0.0047) USER MOD Single : A 84 MET CE :methyl 174:sc= -0.131 (180deg=-0.3) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.0292 (180deg=-0.226) USER MOD Single : A 92 SER OG : rot 74:sc= 1.21 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 179:sc= -2.07 (180deg=-2.07) USER MOD Single : A 101 SER OG : rot 174:sc= -0.867 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 5.911 18.692 2.669 1.00 43.45 N ATOM 72 CA PRO A 6 4.485 18.951 2.810 1.00 54.21 C ATOM 73 C PRO A 6 3.969 18.486 4.169 1.00 54.32 C ATOM 74 O PRO A 6 4.312 17.395 4.629 1.00 65.12 O ATOM 75 CB PRO A 6 3.841 18.118 1.683 1.00 61.14 C ATOM 76 CG PRO A 6 4.979 17.638 0.838 1.00 33.05 C ATOM 77 CD PRO A 6 6.175 17.596 1.738 1.00 3.42 C ATOM 0 HA PRO A 6 4.253 20.014 2.745 1.00 54.21 H new ATOM 0 HB2 PRO A 6 3.274 17.281 2.089 1.00 61.14 H new ATOM 0 HB3 PRO A 6 3.145 18.720 1.099 1.00 61.14 H new ATOM 0 HG2 PRO A 6 4.768 16.652 0.424 1.00 33.05 H new ATOM 0 HG3 PRO A 6 5.149 18.308 -0.005 1.00 33.05 H new ATOM 0 HD2 PRO A 6 6.262 16.639 2.252 1.00 3.42 H new ATOM 0 HD3 PRO A 6 7.103 17.747 1.187 1.00 3.42 H new ATOM 85 N ALA A 7 3.158 19.317 4.813 1.00 52.04 N ATOM 86 CA ALA A 7 2.584 18.975 6.109 1.00 12.03 C ATOM 87 C ALA A 7 1.692 17.750 5.973 1.00 20.24 C ATOM 88 O ALA A 7 1.721 16.838 6.806 1.00 22.14 O ATOM 89 CB ALA A 7 1.799 20.153 6.664 1.00 61.13 C ATOM 0 H ALA A 7 2.883 20.233 4.459 1.00 52.04 H new ATOM 0 HA ALA A 7 3.389 18.743 6.806 1.00 12.03 H new ATOM 0 HB1 ALA A 7 1.376 19.885 7.632 1.00 61.13 H new ATOM 0 HB2 ALA A 7 2.463 21.009 6.783 1.00 61.13 H new ATOM 0 HB3 ALA A 7 0.995 20.411 5.975 1.00 61.13 H new ATOM 95 N ARG A 8 0.907 17.739 4.911 1.00 72.51 N ATOM 96 CA ARG A 8 0.047 16.624 4.595 1.00 31.22 C ATOM 97 C ARG A 8 0.258 16.222 3.147 1.00 52.54 C ATOM 98 O ARG A 8 0.309 17.075 2.258 1.00 74.44 O ATOM 99 CB ARG A 8 -1.428 16.973 4.824 1.00 44.41 C ATOM 100 CG ARG A 8 -1.763 17.351 6.255 1.00 10.24 C ATOM 101 CD ARG A 8 -3.251 17.603 6.421 1.00 73.14 C ATOM 102 NE ARG A 8 -3.579 18.124 7.747 1.00 50.43 N ATOM 103 CZ ARG A 8 -4.779 18.012 8.325 1.00 30.21 C ATOM 104 NH1 ARG A 8 -5.762 17.369 7.707 1.00 52.01 N ATOM 105 NH2 ARG A 8 -4.992 18.541 9.520 1.00 5.32 N ATOM 0 H ARG A 8 0.851 18.508 4.244 1.00 72.51 H new ATOM 0 HA ARG A 8 0.303 15.795 5.255 1.00 31.22 H new ATOM 0 HB2 ARG A 8 -1.700 17.800 4.168 1.00 44.41 H new ATOM 0 HB3 ARG A 8 -2.041 16.120 4.532 1.00 44.41 H new ATOM 0 HG2 ARG A 8 -1.449 16.553 6.928 1.00 10.24 H new ATOM 0 HG3 ARG A 8 -1.206 18.244 6.538 1.00 10.24 H new ATOM 0 HD2 ARG A 8 -3.585 18.310 5.662 1.00 73.14 H new ATOM 0 HD3 ARG A 8 -3.796 16.674 6.253 1.00 73.14 H new ATOM 0 HE ARG A 8 -2.844 18.605 8.265 1.00 50.43 H new ATOM 0 HH11 ARG A 8 -5.603 16.958 6.787 1.00 52.01 H new ATOM 0 HH12 ARG A 8 -6.676 17.286 8.152 1.00 52.01 H new ATOM 0 HH21 ARG A 8 -4.240 19.035 10.001 1.00 5.32 H new ATOM 0 HH22 ARG A 8 -5.908 18.455 9.960 1.00 5.32 H new ATOM 119 N VAL A 9 0.389 14.943 2.914 1.00 2.12 N ATOM 120 CA VAL A 9 0.582 14.433 1.577 1.00 45.31 C ATOM 121 C VAL A 9 -0.512 13.427 1.253 1.00 50.20 C ATOM 122 O VAL A 9 -0.972 12.702 2.137 1.00 34.03 O ATOM 123 CB VAL A 9 1.991 13.783 1.415 1.00 42.32 C ATOM 124 CG1 VAL A 9 2.177 12.618 2.376 1.00 35.21 C ATOM 125 CG2 VAL A 9 2.232 13.339 -0.024 1.00 5.11 C ATOM 0 H VAL A 9 0.366 14.226 3.639 1.00 2.12 H new ATOM 0 HA VAL A 9 0.524 15.266 0.877 1.00 45.31 H new ATOM 0 HB VAL A 9 2.731 14.544 1.662 1.00 42.32 H new ATOM 0 HG11 VAL A 9 3.169 12.187 2.238 1.00 35.21 H new ATOM 0 HG12 VAL A 9 2.075 12.973 3.402 1.00 35.21 H new ATOM 0 HG13 VAL A 9 1.421 11.859 2.178 1.00 35.21 H new ATOM 0 HG21 VAL A 9 3.222 12.890 -0.105 1.00 5.11 H new ATOM 0 HG22 VAL A 9 1.477 12.607 -0.310 1.00 5.11 H new ATOM 0 HG23 VAL A 9 2.170 14.202 -0.686 1.00 5.11 H new ATOM 135 N ARG A 10 -0.962 13.413 0.015 1.00 23.50 N ATOM 136 CA ARG A 10 -1.989 12.484 -0.384 1.00 74.51 C ATOM 137 C ARG A 10 -1.402 11.344 -1.178 1.00 62.42 C ATOM 138 O ARG A 10 -0.832 11.549 -2.250 1.00 62.41 O ATOM 139 CB ARG A 10 -3.068 13.170 -1.204 1.00 21.13 C ATOM 140 CG ARG A 10 -4.214 12.247 -1.554 1.00 43.42 C ATOM 141 CD ARG A 10 -5.276 12.953 -2.354 1.00 43.45 C ATOM 142 NE ARG A 10 -6.480 12.141 -2.480 1.00 1.14 N ATOM 143 CZ ARG A 10 -7.627 12.586 -2.977 1.00 5.42 C ATOM 144 NH1 ARG A 10 -7.705 13.814 -3.481 1.00 71.13 N ATOM 145 NH2 ARG A 10 -8.692 11.798 -2.979 1.00 30.21 N ATOM 0 H ARG A 10 -0.633 14.032 -0.726 1.00 23.50 H new ATOM 0 HA ARG A 10 -2.441 12.091 0.527 1.00 74.51 H new ATOM 0 HB2 ARG A 10 -3.453 14.025 -0.647 1.00 21.13 H new ATOM 0 HB3 ARG A 10 -2.628 13.560 -2.122 1.00 21.13 H new ATOM 0 HG2 ARG A 10 -3.836 11.397 -2.122 1.00 43.42 H new ATOM 0 HG3 ARG A 10 -4.653 11.849 -0.639 1.00 43.42 H new ATOM 0 HD2 ARG A 10 -5.524 13.900 -1.875 1.00 43.45 H new ATOM 0 HD3 ARG A 10 -4.889 13.188 -3.346 1.00 43.45 H new ATOM 0 HE ARG A 10 -6.438 11.171 -2.167 1.00 1.14 H new ATOM 0 HH11 ARG A 10 -6.882 14.416 -3.486 1.00 71.13 H new ATOM 0 HH12 ARG A 10 -8.588 14.154 -3.862 1.00 71.13 H new ATOM 0 HH21 ARG A 10 -8.628 10.853 -2.599 1.00 30.21 H new ATOM 0 HH22 ARG A 10 -9.576 12.136 -3.360 1.00 30.21 H new ATOM 159 N CYS A 11 -1.547 10.152 -0.661 1.00 13.24 N ATOM 160 CA CYS A 11 -1.060 8.970 -1.331 1.00 21.13 C ATOM 161 C CYS A 11 -2.080 7.853 -1.217 1.00 63.51 C ATOM 162 O CYS A 11 -2.898 7.840 -0.300 1.00 61.21 O ATOM 163 CB CYS A 11 0.274 8.515 -0.724 1.00 73.14 C ATOM 164 SG CYS A 11 1.586 9.760 -0.762 1.00 45.00 S ATOM 0 H CYS A 11 -2.004 9.971 0.233 1.00 13.24 H new ATOM 0 HA CYS A 11 -0.902 9.211 -2.382 1.00 21.13 H new ATOM 0 HB2 CYS A 11 0.104 8.218 0.311 1.00 73.14 H new ATOM 0 HB3 CYS A 11 0.617 7.629 -1.258 1.00 73.14 H new ATOM 0 HG CYS A 11 2.715 9.212 -0.422 1.00 45.00 H new ATOM 170 N SER A 12 -2.047 6.941 -2.151 1.00 32.45 N ATOM 171 CA SER A 12 -2.903 5.785 -2.106 1.00 12.24 C ATOM 172 C SER A 12 -2.125 4.633 -1.484 1.00 1.04 C ATOM 173 O SER A 12 -0.917 4.512 -1.703 1.00 14.33 O ATOM 174 CB SER A 12 -3.374 5.433 -3.515 1.00 63.04 C ATOM 175 OG SER A 12 -3.993 6.550 -4.139 1.00 22.43 O ATOM 0 H SER A 12 -1.429 6.977 -2.962 1.00 32.45 H new ATOM 0 HA SER A 12 -3.787 5.989 -1.501 1.00 12.24 H new ATOM 0 HB2 SER A 12 -2.526 5.101 -4.114 1.00 63.04 H new ATOM 0 HB3 SER A 12 -4.077 4.601 -3.470 1.00 63.04 H new ATOM 0 HG SER A 12 -4.285 6.301 -5.041 1.00 22.43 H new ATOM 181 N HIS A 13 -2.795 3.797 -0.706 1.00 72.22 N ATOM 182 CA HIS A 13 -2.107 2.730 0.001 1.00 42.00 C ATOM 183 C HIS A 13 -2.775 1.375 -0.184 1.00 24.42 C ATOM 184 O HIS A 13 -3.957 1.200 0.109 1.00 13.02 O ATOM 185 CB HIS A 13 -1.956 3.068 1.507 1.00 54.30 C ATOM 186 CG HIS A 13 -3.246 3.114 2.303 1.00 13.12 C ATOM 187 ND1 HIS A 13 -3.369 2.555 3.555 1.00 44.32 N ATOM 188 CD2 HIS A 13 -4.448 3.682 2.033 1.00 73.03 C ATOM 189 CE1 HIS A 13 -4.582 2.773 4.019 1.00 13.01 C ATOM 190 NE2 HIS A 13 -5.260 3.455 3.118 1.00 31.02 N ATOM 0 H HIS A 13 -3.802 3.836 -0.550 1.00 72.22 H new ATOM 0 HA HIS A 13 -1.114 2.655 -0.441 1.00 42.00 H new ATOM 0 HB2 HIS A 13 -1.296 2.329 1.962 1.00 54.30 H new ATOM 0 HB3 HIS A 13 -1.461 4.035 1.596 1.00 54.30 H new ATOM 0 HD2 HIS A 13 -4.717 4.214 1.132 1.00 73.03 H new ATOM 0 HE1 HIS A 13 -4.958 2.447 4.978 1.00 13.01 H new ATOM 0 HE2 HIS A 13 -6.228 3.763 3.211 1.00 31.02 H new ATOM 199 N LEU A 14 -2.006 0.430 -0.677 1.00 73.42 N ATOM 200 CA LEU A 14 -2.463 -0.935 -0.848 1.00 65.53 C ATOM 201 C LEU A 14 -1.768 -1.797 0.206 1.00 20.34 C ATOM 202 O LEU A 14 -0.559 -1.668 0.413 1.00 1.24 O ATOM 203 CB LEU A 14 -2.129 -1.421 -2.276 1.00 44.12 C ATOM 204 CG LEU A 14 -2.891 -2.656 -2.793 1.00 31.34 C ATOM 205 CD1 LEU A 14 -2.793 -2.738 -4.307 1.00 20.01 C ATOM 206 CD2 LEU A 14 -2.349 -3.934 -2.175 1.00 33.35 C ATOM 0 H LEU A 14 -1.042 0.585 -0.972 1.00 73.42 H new ATOM 0 HA LEU A 14 -3.543 -1.004 -0.720 1.00 65.53 H new ATOM 0 HB2 LEU A 14 -2.313 -0.597 -2.965 1.00 44.12 H new ATOM 0 HB3 LEU A 14 -1.062 -1.640 -2.318 1.00 44.12 H new ATOM 0 HG LEU A 14 -3.936 -2.549 -2.503 1.00 31.34 H new ATOM 0 HD11 LEU A 14 -3.336 -3.615 -4.660 1.00 20.01 H new ATOM 0 HD12 LEU A 14 -3.227 -1.841 -4.749 1.00 20.01 H new ATOM 0 HD13 LEU A 14 -1.746 -2.817 -4.600 1.00 20.01 H new ATOM 0 HD21 LEU A 14 -2.906 -4.789 -2.559 1.00 33.35 H new ATOM 0 HD22 LEU A 14 -1.295 -4.043 -2.431 1.00 33.35 H new ATOM 0 HD23 LEU A 14 -2.456 -3.888 -1.091 1.00 33.35 H new ATOM 218 N LEU A 15 -2.521 -2.643 0.887 1.00 71.42 N ATOM 219 CA LEU A 15 -1.956 -3.470 1.948 1.00 4.10 C ATOM 220 C LEU A 15 -2.081 -4.948 1.610 1.00 33.44 C ATOM 221 O LEU A 15 -3.181 -5.449 1.352 1.00 64.50 O ATOM 222 CB LEU A 15 -2.657 -3.159 3.291 1.00 62.40 C ATOM 223 CG LEU A 15 -1.987 -3.684 4.591 1.00 31.24 C ATOM 224 CD1 LEU A 15 -2.082 -5.200 4.714 1.00 65.54 C ATOM 225 CD2 LEU A 15 -0.540 -3.238 4.670 1.00 54.34 C ATOM 0 H LEU A 15 -3.520 -2.778 0.729 1.00 71.42 H new ATOM 0 HA LEU A 15 -0.896 -3.236 2.041 1.00 4.10 H new ATOM 0 HB2 LEU A 15 -2.754 -2.077 3.377 1.00 62.40 H new ATOM 0 HB3 LEU A 15 -3.667 -3.567 3.245 1.00 62.40 H new ATOM 0 HG LEU A 15 -2.535 -3.252 5.428 1.00 31.24 H new ATOM 0 HD11 LEU A 15 -1.600 -5.521 5.638 1.00 65.54 H new ATOM 0 HD12 LEU A 15 -3.130 -5.499 4.728 1.00 65.54 H new ATOM 0 HD13 LEU A 15 -1.584 -5.666 3.864 1.00 65.54 H new ATOM 0 HD21 LEU A 15 -0.092 -3.617 5.588 1.00 54.34 H new ATOM 0 HD22 LEU A 15 0.008 -3.626 3.811 1.00 54.34 H new ATOM 0 HD23 LEU A 15 -0.494 -2.149 4.667 1.00 54.34 H new ATOM 237 N VAL A 16 -0.952 -5.633 1.611 1.00 44.14 N ATOM 238 CA VAL A 16 -0.914 -7.063 1.363 1.00 61.41 C ATOM 239 C VAL A 16 -0.460 -7.799 2.621 1.00 11.40 C ATOM 240 O VAL A 16 0.578 -7.467 3.212 1.00 21.15 O ATOM 241 CB VAL A 16 0.040 -7.410 0.196 1.00 1.42 C ATOM 242 CG1 VAL A 16 0.051 -8.910 -0.075 1.00 42.41 C ATOM 243 CG2 VAL A 16 -0.357 -6.650 -1.054 1.00 35.02 C ATOM 0 H VAL A 16 -0.038 -5.215 1.783 1.00 44.14 H new ATOM 0 HA VAL A 16 -1.921 -7.379 1.090 1.00 61.41 H new ATOM 0 HB VAL A 16 1.048 -7.111 0.483 1.00 1.42 H new ATOM 0 HG11 VAL A 16 0.730 -9.126 -0.900 1.00 42.41 H new ATOM 0 HG12 VAL A 16 0.385 -9.439 0.818 1.00 42.41 H new ATOM 0 HG13 VAL A 16 -0.954 -9.240 -0.337 1.00 42.41 H new ATOM 0 HG21 VAL A 16 0.324 -6.905 -1.866 1.00 35.02 H new ATOM 0 HG22 VAL A 16 -1.375 -6.919 -1.336 1.00 35.02 H new ATOM 0 HG23 VAL A 16 -0.306 -5.579 -0.860 1.00 35.02 H new ATOM 253 N LYS A 17 -1.242 -8.769 3.040 1.00 10.11 N ATOM 254 CA LYS A 17 -0.921 -9.556 4.213 1.00 24.41 C ATOM 255 C LYS A 17 -0.159 -10.822 3.848 1.00 20.05 C ATOM 256 O LYS A 17 0.031 -11.146 2.674 1.00 60.53 O ATOM 257 CB LYS A 17 -2.194 -9.932 4.980 1.00 14.32 C ATOM 258 CG LYS A 17 -2.684 -8.879 5.964 1.00 64.11 C ATOM 259 CD LYS A 17 -1.687 -8.670 7.099 1.00 73.33 C ATOM 260 CE LYS A 17 -2.328 -7.966 8.289 1.00 53.41 C ATOM 261 NZ LYS A 17 -2.870 -6.632 7.936 1.00 5.15 N ATOM 0 H LYS A 17 -2.114 -9.035 2.581 1.00 10.11 H new ATOM 0 HA LYS A 17 -0.284 -8.940 4.847 1.00 24.41 H new ATOM 0 HB2 LYS A 17 -2.988 -10.134 4.261 1.00 14.32 H new ATOM 0 HB3 LYS A 17 -2.013 -10.860 5.523 1.00 14.32 H new ATOM 0 HG2 LYS A 17 -2.844 -7.936 5.440 1.00 64.11 H new ATOM 0 HG3 LYS A 17 -3.647 -9.183 6.375 1.00 64.11 H new ATOM 0 HD2 LYS A 17 -1.290 -9.634 7.417 1.00 73.33 H new ATOM 0 HD3 LYS A 17 -0.843 -8.081 6.739 1.00 73.33 H new ATOM 0 HE2 LYS A 17 -3.131 -8.588 8.685 1.00 53.41 H new ATOM 0 HE3 LYS A 17 -1.589 -7.856 9.083 1.00 53.41 H new ATOM 0 HZ1 LYS A 17 -3.369 -6.232 8.756 1.00 5.15 H new ATOM 0 HZ2 LYS A 17 -2.089 -6.001 7.664 1.00 5.15 H new ATOM 0 HZ3 LYS A 17 -3.533 -6.726 7.140 1.00 5.15 H new ATOM 275 N HIS A 18 0.278 -11.523 4.870 1.00 53.41 N ATOM 276 CA HIS A 18 0.976 -12.786 4.728 1.00 40.44 C ATOM 277 C HIS A 18 0.663 -13.657 5.931 1.00 32.00 C ATOM 278 O HIS A 18 0.263 -13.142 6.970 1.00 41.13 O ATOM 279 CB HIS A 18 2.503 -12.593 4.536 1.00 51.12 C ATOM 280 CG HIS A 18 3.129 -11.489 5.354 1.00 62.10 C ATOM 281 ND1 HIS A 18 3.741 -11.692 6.568 1.00 63.44 N ATOM 282 CD2 HIS A 18 3.253 -10.159 5.099 1.00 54.44 C ATOM 283 CE1 HIS A 18 4.209 -10.545 7.025 1.00 73.11 C ATOM 284 NE2 HIS A 18 3.930 -9.601 6.154 1.00 34.24 N ATOM 0 H HIS A 18 0.158 -11.229 5.839 1.00 53.41 H new ATOM 0 HA HIS A 18 0.626 -13.283 3.824 1.00 40.44 H new ATOM 0 HB2 HIS A 18 3.003 -13.530 4.780 1.00 51.12 H new ATOM 0 HB3 HIS A 18 2.696 -12.394 3.482 1.00 51.12 H new ATOM 0 HD1 HIS A 18 3.821 -12.591 7.043 1.00 63.44 H new ATOM 0 HD2 HIS A 18 2.886 -9.638 4.227 1.00 54.44 H new ATOM 0 HE1 HIS A 18 4.734 -10.406 7.959 1.00 73.11 H new ATOM 293 N SER A 19 0.817 -14.962 5.788 1.00 41.21 N ATOM 294 CA SER A 19 0.465 -15.891 6.854 1.00 1.11 C ATOM 295 C SER A 19 1.253 -15.610 8.128 1.00 75.12 C ATOM 296 O SER A 19 0.693 -15.608 9.224 1.00 34.25 O ATOM 297 CB SER A 19 0.675 -17.337 6.403 1.00 33.03 C ATOM 298 OG SER A 19 -0.058 -18.235 7.224 1.00 65.23 O ATOM 0 H SER A 19 1.183 -15.405 4.945 1.00 41.21 H new ATOM 0 HA SER A 19 -0.592 -15.745 7.079 1.00 1.11 H new ATOM 0 HB2 SER A 19 0.361 -17.448 5.365 1.00 33.03 H new ATOM 0 HB3 SER A 19 1.736 -17.584 6.443 1.00 33.03 H new ATOM 0 HG SER A 19 0.090 -19.154 6.917 1.00 65.23 H new ATOM 304 N GLN A 20 2.546 -15.363 7.987 1.00 45.11 N ATOM 305 CA GLN A 20 3.379 -15.065 9.135 1.00 60.25 C ATOM 306 C GLN A 20 3.284 -13.595 9.501 1.00 65.11 C ATOM 307 O GLN A 20 4.126 -12.793 9.115 1.00 33.14 O ATOM 308 CB GLN A 20 4.833 -15.466 8.883 1.00 60.31 C ATOM 309 CG GLN A 20 5.036 -16.961 8.688 1.00 61.23 C ATOM 310 CD GLN A 20 4.776 -17.771 9.952 1.00 42.54 C ATOM 311 OE1 GLN A 20 3.962 -17.396 10.803 1.00 43.11 O ATOM 312 NE2 GLN A 20 5.468 -18.882 10.083 1.00 34.24 N ATOM 0 H GLN A 20 3.037 -15.364 7.093 1.00 45.11 H new ATOM 0 HA GLN A 20 3.011 -15.653 9.976 1.00 60.25 H new ATOM 0 HB2 GLN A 20 5.196 -14.942 7.999 1.00 60.31 H new ATOM 0 HB3 GLN A 20 5.442 -15.133 9.723 1.00 60.31 H new ATOM 0 HG2 GLN A 20 4.373 -17.311 7.897 1.00 61.23 H new ATOM 0 HG3 GLN A 20 6.057 -17.142 8.352 1.00 61.23 H new ATOM 0 HE21 GLN A 20 6.131 -19.158 9.359 1.00 34.24 H new ATOM 0 HE22 GLN A 20 5.342 -19.467 10.909 1.00 34.24 H new ATOM 321 N SER A 21 2.228 -13.251 10.199 1.00 62.02 N ATOM 322 CA SER A 21 1.999 -11.896 10.651 1.00 62.33 C ATOM 323 C SER A 21 1.469 -11.940 12.067 1.00 73.51 C ATOM 324 O SER A 21 1.264 -13.023 12.620 1.00 33.03 O ATOM 325 CB SER A 21 0.985 -11.187 9.743 1.00 74.22 C ATOM 326 OG SER A 21 1.369 -11.253 8.380 1.00 52.52 O ATOM 0 H SER A 21 1.497 -13.907 10.472 1.00 62.02 H new ATOM 0 HA SER A 21 2.937 -11.342 10.616 1.00 62.33 H new ATOM 0 HB2 SER A 21 0.003 -11.643 9.867 1.00 74.22 H new ATOM 0 HB3 SER A 21 0.892 -10.144 10.045 1.00 74.22 H new ATOM 0 HG SER A 21 1.097 -12.117 8.005 1.00 52.52 H new ATOM 332 N ARG A 22 1.244 -10.787 12.658 1.00 63.12 N ATOM 333 CA ARG A 22 0.698 -10.741 13.995 1.00 34.01 C ATOM 334 C ARG A 22 -0.782 -11.077 13.935 1.00 45.20 C ATOM 335 O ARG A 22 -1.280 -11.891 14.707 1.00 24.43 O ATOM 336 CB ARG A 22 0.923 -9.369 14.636 1.00 62.21 C ATOM 337 CG ARG A 22 2.369 -8.899 14.576 1.00 22.03 C ATOM 338 CD ARG A 22 2.636 -7.782 15.566 1.00 54.11 C ATOM 339 NE ARG A 22 2.586 -8.263 16.949 1.00 52.14 N ATOM 340 CZ ARG A 22 2.869 -7.517 18.019 1.00 62.41 C ATOM 341 NH1 ARG A 22 3.181 -6.229 17.878 1.00 71.33 N ATOM 342 NH2 ARG A 22 2.835 -8.060 19.230 1.00 61.23 N ATOM 0 H ARG A 22 1.429 -9.876 12.238 1.00 63.12 H new ATOM 0 HA ARG A 22 1.211 -11.474 14.618 1.00 34.01 H new ATOM 0 HB2 ARG A 22 0.290 -8.636 14.136 1.00 62.21 H new ATOM 0 HB3 ARG A 22 0.605 -9.407 15.678 1.00 62.21 H new ATOM 0 HG2 ARG A 22 3.033 -9.737 14.785 1.00 22.03 H new ATOM 0 HG3 ARG A 22 2.598 -8.554 13.568 1.00 22.03 H new ATOM 0 HD2 ARG A 22 3.615 -7.345 15.367 1.00 54.11 H new ATOM 0 HD3 ARG A 22 1.900 -6.990 15.429 1.00 54.11 H new ATOM 0 HE ARG A 22 2.317 -9.234 17.105 1.00 52.14 H new ATOM 0 HH11 ARG A 22 3.204 -5.809 16.949 1.00 71.33 H new ATOM 0 HH12 ARG A 22 3.396 -5.664 18.699 1.00 71.33 H new ATOM 0 HH21 ARG A 22 2.593 -9.045 19.341 1.00 61.23 H new ATOM 0 HH22 ARG A 22 3.051 -7.492 20.050 1.00 61.23 H new ATOM 356 N ARG A 23 -1.473 -10.457 12.997 1.00 4.21 N ATOM 357 CA ARG A 23 -2.877 -10.740 12.764 1.00 2.42 C ATOM 358 C ARG A 23 -3.096 -11.055 11.289 1.00 33.14 C ATOM 359 O ARG A 23 -3.246 -10.151 10.470 1.00 41.20 O ATOM 360 CB ARG A 23 -3.785 -9.564 13.190 1.00 4.44 C ATOM 361 CG ARG A 23 -3.848 -9.306 14.695 1.00 64.24 C ATOM 362 CD ARG A 23 -2.652 -8.506 15.193 1.00 41.30 C ATOM 363 NE ARG A 23 -2.627 -7.147 14.643 1.00 4.42 N ATOM 364 CZ ARG A 23 -2.036 -6.102 15.235 1.00 32.30 C ATOM 365 NH1 ARG A 23 -1.415 -6.254 16.405 1.00 24.11 N ATOM 366 NH2 ARG A 23 -2.075 -4.902 14.662 1.00 63.23 N ATOM 0 H ARG A 23 -1.080 -9.747 12.379 1.00 4.21 H new ATOM 0 HA ARG A 23 -3.149 -11.601 13.375 1.00 2.42 H new ATOM 0 HB2 ARG A 23 -3.435 -8.658 12.696 1.00 4.44 H new ATOM 0 HB3 ARG A 23 -4.795 -9.755 12.827 1.00 4.44 H new ATOM 0 HG2 ARG A 23 -4.766 -8.768 14.931 1.00 64.24 H new ATOM 0 HG3 ARG A 23 -3.891 -10.258 15.223 1.00 64.24 H new ATOM 0 HD2 ARG A 23 -2.679 -8.455 16.281 1.00 41.30 H new ATOM 0 HD3 ARG A 23 -1.732 -9.023 14.921 1.00 41.30 H new ATOM 0 HE ARG A 23 -3.091 -6.987 13.749 1.00 4.42 H new ATOM 0 HH11 ARG A 23 -1.389 -7.170 16.853 1.00 24.11 H new ATOM 0 HH12 ARG A 23 -0.966 -5.454 16.852 1.00 24.11 H new ATOM 0 HH21 ARG A 23 -2.556 -4.778 13.771 1.00 63.23 H new ATOM 0 HH22 ARG A 23 -1.624 -4.106 15.114 1.00 63.23 H new ATOM 380 N PRO A 24 -3.096 -12.351 10.926 1.00 4.41 N ATOM 381 CA PRO A 24 -3.278 -12.789 9.536 1.00 54.45 C ATOM 382 C PRO A 24 -4.748 -12.787 9.114 1.00 4.40 C ATOM 383 O PRO A 24 -5.204 -13.681 8.398 1.00 24.30 O ATOM 384 CB PRO A 24 -2.731 -14.216 9.562 1.00 21.20 C ATOM 385 CG PRO A 24 -3.013 -14.701 10.943 1.00 43.33 C ATOM 386 CD PRO A 24 -2.916 -13.495 11.846 1.00 54.42 C ATOM 0 HA PRO A 24 -2.781 -12.131 8.823 1.00 54.45 H new ATOM 0 HB2 PRO A 24 -3.219 -14.841 8.815 1.00 21.20 H new ATOM 0 HB3 PRO A 24 -1.663 -14.235 9.345 1.00 21.20 H new ATOM 0 HG2 PRO A 24 -4.004 -15.152 11.002 1.00 43.33 H new ATOM 0 HG3 PRO A 24 -2.296 -15.467 11.240 1.00 43.33 H new ATOM 0 HD2 PRO A 24 -3.684 -13.511 12.619 1.00 54.42 H new ATOM 0 HD3 PRO A 24 -1.953 -13.452 12.354 1.00 54.42 H new ATOM 394 N SER A 25 -5.470 -11.773 9.540 1.00 23.14 N ATOM 395 CA SER A 25 -6.875 -11.646 9.230 1.00 52.34 C ATOM 396 C SER A 25 -7.077 -10.760 8.000 1.00 32.41 C ATOM 397 O SER A 25 -6.350 -9.781 7.803 1.00 43.43 O ATOM 398 CB SER A 25 -7.613 -11.057 10.434 1.00 23.01 C ATOM 399 OG SER A 25 -7.323 -11.798 11.614 1.00 73.41 O ATOM 0 H SER A 25 -5.098 -11.014 10.111 1.00 23.14 H new ATOM 0 HA SER A 25 -7.279 -12.634 9.008 1.00 52.34 H new ATOM 0 HB2 SER A 25 -7.321 -10.016 10.572 1.00 23.01 H new ATOM 0 HB3 SER A 25 -8.687 -11.065 10.248 1.00 23.01 H new ATOM 0 HG SER A 25 -7.803 -11.405 12.373 1.00 73.41 H new ATOM 405 N SER A 26 -8.043 -11.113 7.176 1.00 74.41 N ATOM 406 CA SER A 26 -8.352 -10.343 5.990 1.00 41.40 C ATOM 407 C SER A 26 -9.854 -10.116 5.892 1.00 22.53 C ATOM 408 O SER A 26 -10.643 -10.885 6.450 1.00 70.54 O ATOM 409 CB SER A 26 -7.845 -11.066 4.740 1.00 34.02 C ATOM 410 OG SER A 26 -8.489 -12.328 4.576 1.00 0.50 O ATOM 0 H SER A 26 -8.631 -11.935 7.309 1.00 74.41 H new ATOM 0 HA SER A 26 -7.853 -9.377 6.060 1.00 41.40 H new ATOM 0 HB2 SER A 26 -8.024 -10.447 3.861 1.00 34.02 H new ATOM 0 HB3 SER A 26 -6.767 -11.212 4.813 1.00 34.02 H new ATOM 0 HG SER A 26 -7.965 -13.024 5.025 1.00 0.50 H new ATOM 415 N TRP A 27 -10.252 -9.059 5.204 1.00 65.44 N ATOM 416 CA TRP A 27 -11.667 -8.774 5.024 1.00 74.31 C ATOM 417 C TRP A 27 -12.166 -9.440 3.740 1.00 5.55 C ATOM 418 O TRP A 27 -13.327 -9.830 3.631 1.00 2.04 O ATOM 419 CB TRP A 27 -11.913 -7.250 4.959 1.00 23.23 C ATOM 420 CG TRP A 27 -11.640 -6.654 3.608 1.00 13.40 C ATOM 421 CD1 TRP A 27 -10.427 -6.322 3.083 1.00 2.30 C ATOM 422 CD2 TRP A 27 -12.611 -6.335 2.602 1.00 63.24 C ATOM 423 NE1 TRP A 27 -10.581 -5.830 1.819 1.00 32.33 N ATOM 424 CE2 TRP A 27 -11.912 -5.822 1.499 1.00 64.42 C ATOM 425 CE3 TRP A 27 -14.003 -6.438 2.530 1.00 3.10 C ATOM 426 CZ2 TRP A 27 -12.554 -5.412 0.335 1.00 32.22 C ATOM 427 CZ3 TRP A 27 -14.639 -6.030 1.376 1.00 14.20 C ATOM 428 CH2 TRP A 27 -13.915 -5.523 0.292 1.00 22.24 C ATOM 0 H TRP A 27 -9.622 -8.389 4.764 1.00 65.44 H new ATOM 0 HA TRP A 27 -12.216 -9.174 5.877 1.00 74.31 H new ATOM 0 HB2 TRP A 27 -12.947 -7.045 5.235 1.00 23.23 H new ATOM 0 HB3 TRP A 27 -11.282 -6.757 5.699 1.00 23.23 H new ATOM 0 HD1 TRP A 27 -9.481 -6.432 3.593 1.00 2.30 H new ATOM 0 HE1 TRP A 27 -9.825 -5.518 1.210 1.00 32.33 H new ATOM 0 HE3 TRP A 27 -14.570 -6.829 3.362 1.00 3.10 H new ATOM 0 HZ2 TRP A 27 -11.997 -5.020 -0.504 1.00 32.22 H new ATOM 0 HZ3 TRP A 27 -15.714 -6.103 1.308 1.00 14.20 H new ATOM 0 HH2 TRP A 27 -14.443 -5.213 -0.598 1.00 22.24 H new ATOM 439 N ARG A 28 -11.256 -9.578 2.778 1.00 62.43 N ATOM 440 CA ARG A 28 -11.572 -10.137 1.467 1.00 74.30 C ATOM 441 C ARG A 28 -11.702 -11.653 1.522 1.00 43.22 C ATOM 442 O ARG A 28 -12.232 -12.273 0.598 1.00 25.44 O ATOM 443 CB ARG A 28 -10.507 -9.719 0.449 1.00 44.32 C ATOM 444 CG ARG A 28 -9.091 -10.075 0.868 1.00 44.00 C ATOM 445 CD ARG A 28 -8.058 -9.418 -0.029 1.00 45.15 C ATOM 446 NE ARG A 28 -8.115 -9.904 -1.402 1.00 23.13 N ATOM 447 CZ ARG A 28 -7.079 -10.451 -2.044 1.00 63.13 C ATOM 448 NH1 ARG A 28 -5.914 -10.623 -1.421 1.00 63.14 N ATOM 449 NH2 ARG A 28 -7.211 -10.826 -3.306 1.00 55.51 N ATOM 0 H ARG A 28 -10.279 -9.305 2.886 1.00 62.43 H new ATOM 0 HA ARG A 28 -12.537 -9.740 1.152 1.00 74.30 H new ATOM 0 HB2 ARG A 28 -10.724 -10.195 -0.507 1.00 44.32 H new ATOM 0 HB3 ARG A 28 -10.570 -8.642 0.291 1.00 44.32 H new ATOM 0 HG2 ARG A 28 -8.928 -9.764 1.900 1.00 44.00 H new ATOM 0 HG3 ARG A 28 -8.964 -11.157 0.838 1.00 44.00 H new ATOM 0 HD2 ARG A 28 -8.211 -8.339 -0.023 1.00 45.15 H new ATOM 0 HD3 ARG A 28 -7.063 -9.601 0.376 1.00 45.15 H new ATOM 0 HE ARG A 28 -9.000 -9.821 -1.903 1.00 23.13 H new ATOM 0 HH11 ARG A 28 -5.809 -10.336 -0.448 1.00 63.14 H new ATOM 0 HH12 ARG A 28 -5.127 -11.041 -1.917 1.00 63.14 H new ATOM 0 HH21 ARG A 28 -8.102 -10.697 -3.786 1.00 55.51 H new ATOM 0 HH22 ARG A 28 -6.422 -11.244 -3.799 1.00 55.51 H new ATOM 463 N GLN A 29 -11.213 -12.244 2.592 1.00 64.14 N ATOM 464 CA GLN A 29 -11.331 -13.670 2.783 1.00 14.32 C ATOM 465 C GLN A 29 -11.677 -13.968 4.231 1.00 51.35 C ATOM 466 O GLN A 29 -12.842 -14.198 4.552 1.00 43.21 O ATOM 467 CB GLN A 29 -10.045 -14.397 2.364 1.00 12.02 C ATOM 468 CG GLN A 29 -10.146 -15.917 2.424 1.00 54.33 C ATOM 469 CD GLN A 29 -11.297 -16.457 1.594 1.00 54.03 C ATOM 470 OE1 GLN A 29 -11.145 -16.738 0.405 1.00 32.01 O ATOM 471 NE2 GLN A 29 -12.451 -16.612 2.217 1.00 55.34 N ATOM 0 H GLN A 29 -10.728 -11.754 3.344 1.00 64.14 H new ATOM 0 HA GLN A 29 -12.134 -14.040 2.146 1.00 14.32 H new ATOM 0 HB2 GLN A 29 -9.786 -14.100 1.348 1.00 12.02 H new ATOM 0 HB3 GLN A 29 -9.229 -14.071 3.009 1.00 12.02 H new ATOM 0 HG2 GLN A 29 -9.212 -16.354 2.071 1.00 54.33 H new ATOM 0 HG3 GLN A 29 -10.272 -16.229 3.461 1.00 54.33 H new ATOM 0 HE21 GLN A 29 -12.535 -16.367 3.204 1.00 55.34 H new ATOM 0 HE22 GLN A 29 -13.258 -16.977 1.712 1.00 55.34 H new ATOM 480 N GLU A 30 -10.663 -13.921 5.095 1.00 1.24 N ATOM 481 CA GLU A 30 -10.810 -14.156 6.534 1.00 33.31 C ATOM 482 C GLU A 30 -9.443 -14.365 7.148 1.00 31.41 C ATOM 483 O GLU A 30 -9.036 -13.639 8.054 1.00 1.32 O ATOM 484 CB GLU A 30 -11.684 -15.381 6.831 1.00 21.22 C ATOM 485 CG GLU A 30 -12.186 -15.427 8.262 1.00 23.34 C ATOM 486 CD GLU A 30 -12.979 -14.190 8.624 1.00 12.14 C ATOM 487 OE1 GLU A 30 -14.104 -14.028 8.110 1.00 50.13 O ATOM 488 OE2 GLU A 30 -12.480 -13.362 9.413 1.00 25.52 O ATOM 0 H GLU A 30 -9.704 -13.716 4.813 1.00 1.24 H new ATOM 0 HA GLU A 30 -11.299 -13.282 6.965 1.00 33.31 H new ATOM 0 HB2 GLU A 30 -12.538 -15.382 6.153 1.00 21.22 H new ATOM 0 HB3 GLU A 30 -11.112 -16.286 6.625 1.00 21.22 H new ATOM 0 HG2 GLU A 30 -12.809 -16.310 8.399 1.00 23.34 H new ATOM 0 HG3 GLU A 30 -11.339 -15.526 8.941 1.00 23.34 H new ATOM 495 N LYS A 31 -8.736 -15.358 6.641 1.00 14.33 N ATOM 496 CA LYS A 31 -7.410 -15.685 7.124 1.00 34.11 C ATOM 497 C LYS A 31 -6.446 -15.816 5.959 1.00 71.31 C ATOM 498 O LYS A 31 -6.804 -16.345 4.901 1.00 1.41 O ATOM 499 CB LYS A 31 -7.435 -16.982 7.946 1.00 52.54 C ATOM 500 CG LYS A 31 -8.008 -18.179 7.199 1.00 64.20 C ATOM 501 CD LYS A 31 -7.892 -19.455 8.017 1.00 3.52 C ATOM 502 CE LYS A 31 -8.543 -20.636 7.308 1.00 32.21 C ATOM 503 NZ LYS A 31 -7.930 -20.903 5.978 1.00 21.15 N ATOM 0 H LYS A 31 -9.065 -15.958 5.885 1.00 14.33 H new ATOM 0 HA LYS A 31 -7.070 -14.877 7.772 1.00 34.11 H new ATOM 0 HB2 LYS A 31 -6.419 -17.218 8.264 1.00 52.54 H new ATOM 0 HB3 LYS A 31 -8.022 -16.816 8.849 1.00 52.54 H new ATOM 0 HG2 LYS A 31 -9.055 -17.993 6.960 1.00 64.20 H new ATOM 0 HG3 LYS A 31 -7.483 -18.304 6.252 1.00 64.20 H new ATOM 0 HD2 LYS A 31 -6.841 -19.675 8.202 1.00 3.52 H new ATOM 0 HD3 LYS A 31 -8.363 -19.309 8.989 1.00 3.52 H new ATOM 0 HE2 LYS A 31 -8.454 -21.525 7.932 1.00 32.21 H new ATOM 0 HE3 LYS A 31 -9.608 -20.440 7.182 1.00 32.21 H new ATOM 0 HZ1 LYS A 31 -8.296 -21.800 5.601 1.00 21.15 H new ATOM 0 HZ2 LYS A 31 -8.168 -20.130 5.325 1.00 21.15 H new ATOM 0 HZ3 LYS A 31 -6.897 -20.966 6.078 1.00 21.15 H new ATOM 517 N ILE A 32 -5.243 -15.332 6.149 1.00 65.33 N ATOM 518 CA ILE A 32 -4.229 -15.382 5.117 1.00 51.32 C ATOM 519 C ILE A 32 -3.257 -16.528 5.369 1.00 32.23 C ATOM 520 O ILE A 32 -2.613 -16.596 6.420 1.00 52.14 O ATOM 521 CB ILE A 32 -3.455 -14.046 5.031 1.00 15.21 C ATOM 522 CG1 ILE A 32 -4.417 -12.891 4.726 1.00 71.22 C ATOM 523 CG2 ILE A 32 -2.362 -14.121 3.977 1.00 51.31 C ATOM 524 CD1 ILE A 32 -5.180 -13.054 3.426 1.00 4.10 C ATOM 0 H ILE A 32 -4.937 -14.894 7.018 1.00 65.33 H new ATOM 0 HA ILE A 32 -4.735 -15.551 4.167 1.00 51.32 H new ATOM 0 HB ILE A 32 -2.983 -13.861 5.996 1.00 15.21 H new ATOM 0 HG12 ILE A 32 -5.130 -12.799 5.545 1.00 71.22 H new ATOM 0 HG13 ILE A 32 -3.851 -11.960 4.690 1.00 71.22 H new ATOM 0 HG21 ILE A 32 -1.831 -13.170 3.935 1.00 51.31 H new ATOM 0 HG22 ILE A 32 -1.662 -14.916 4.235 1.00 51.31 H new ATOM 0 HG23 ILE A 32 -2.808 -14.331 3.005 1.00 51.31 H new ATOM 0 HD11 ILE A 32 -5.839 -12.198 3.281 1.00 4.10 H new ATOM 0 HD12 ILE A 32 -4.476 -13.115 2.596 1.00 4.10 H new ATOM 0 HD13 ILE A 32 -5.774 -13.967 3.465 1.00 4.10 H new ATOM 536 N THR A 33 -3.157 -17.425 4.410 1.00 13.11 N ATOM 537 CA THR A 33 -2.278 -18.570 4.522 1.00 24.03 C ATOM 538 C THR A 33 -1.140 -18.506 3.503 1.00 70.02 C ATOM 539 O THR A 33 -0.353 -19.446 3.377 1.00 55.41 O ATOM 540 CB THR A 33 -3.064 -19.883 4.343 1.00 22.31 C ATOM 541 OG1 THR A 33 -3.909 -19.791 3.181 1.00 61.00 O ATOM 542 CG2 THR A 33 -3.915 -20.169 5.572 1.00 73.01 C ATOM 0 H THR A 33 -3.680 -17.381 3.535 1.00 13.11 H new ATOM 0 HA THR A 33 -1.844 -18.547 5.522 1.00 24.03 H new ATOM 0 HB THR A 33 -2.352 -20.698 4.213 1.00 22.31 H new ATOM 0 HG1 THR A 33 -4.405 -20.629 3.070 1.00 61.00 H new ATOM 0 HG21 THR A 33 -4.463 -21.100 5.427 1.00 73.01 H new ATOM 0 HG22 THR A 33 -3.272 -20.259 6.447 1.00 73.01 H new ATOM 0 HG23 THR A 33 -4.621 -19.353 5.724 1.00 73.01 H new ATOM 550 N ARG A 34 -1.054 -17.397 2.779 1.00 40.52 N ATOM 551 CA ARG A 34 -0.004 -17.225 1.781 1.00 32.20 C ATOM 552 C ARG A 34 1.335 -16.930 2.456 1.00 32.40 C ATOM 553 O ARG A 34 1.391 -16.208 3.457 1.00 22.43 O ATOM 554 CB ARG A 34 -0.362 -16.095 0.795 1.00 1.01 C ATOM 555 CG ARG A 34 -0.128 -14.692 1.332 1.00 23.31 C ATOM 556 CD ARG A 34 -0.554 -13.628 0.335 1.00 23.41 C ATOM 557 NE ARG A 34 -2.010 -13.573 0.174 1.00 11.25 N ATOM 558 CZ ARG A 34 -2.759 -12.507 0.493 1.00 51.30 C ATOM 559 NH1 ARG A 34 -2.193 -11.420 0.996 1.00 33.44 N ATOM 560 NH2 ARG A 34 -4.072 -12.534 0.316 1.00 73.12 N ATOM 0 H ARG A 34 -1.694 -16.607 2.863 1.00 40.52 H new ATOM 0 HA ARG A 34 0.083 -18.156 1.221 1.00 32.20 H new ATOM 0 HB2 ARG A 34 0.224 -16.225 -0.115 1.00 1.01 H new ATOM 0 HB3 ARG A 34 -1.411 -16.193 0.515 1.00 1.01 H new ATOM 0 HG2 ARG A 34 -0.682 -14.562 2.262 1.00 23.31 H new ATOM 0 HG3 ARG A 34 0.928 -14.565 1.570 1.00 23.31 H new ATOM 0 HD2 ARG A 34 -0.190 -12.655 0.666 1.00 23.41 H new ATOM 0 HD3 ARG A 34 -0.091 -13.831 -0.631 1.00 23.41 H new ATOM 0 HE ARG A 34 -2.482 -14.395 -0.203 1.00 11.25 H new ATOM 0 HH11 ARG A 34 -1.184 -11.391 1.142 1.00 33.44 H new ATOM 0 HH12 ARG A 34 -2.766 -10.612 1.237 1.00 33.44 H new ATOM 0 HH21 ARG A 34 -4.518 -13.368 -0.065 1.00 73.12 H new ATOM 0 HH22 ARG A 34 -4.636 -11.720 0.560 1.00 73.12 H new ATOM 574 N THR A 35 2.399 -17.486 1.920 1.00 62.14 N ATOM 575 CA THR A 35 3.720 -17.261 2.472 1.00 14.20 C ATOM 576 C THR A 35 4.289 -15.926 1.963 1.00 74.41 C ATOM 577 O THR A 35 3.635 -15.213 1.187 1.00 11.24 O ATOM 578 CB THR A 35 4.690 -18.433 2.131 1.00 44.44 C ATOM 579 OG1 THR A 35 5.967 -18.232 2.762 1.00 62.23 O ATOM 580 CG2 THR A 35 4.883 -18.562 0.628 1.00 73.21 C ATOM 0 H THR A 35 2.377 -18.097 1.103 1.00 62.14 H new ATOM 0 HA THR A 35 3.626 -17.216 3.557 1.00 14.20 H new ATOM 0 HB THR A 35 4.243 -19.353 2.508 1.00 44.44 H new ATOM 0 HG1 THR A 35 6.563 -18.977 2.539 1.00 62.23 H new ATOM 0 HG21 THR A 35 5.564 -19.387 0.418 1.00 73.21 H new ATOM 0 HG22 THR A 35 3.921 -18.756 0.153 1.00 73.21 H new ATOM 0 HG23 THR A 35 5.302 -17.636 0.234 1.00 73.21 H new ATOM 588 N LYS A 36 5.497 -15.599 2.398 1.00 4.13 N ATOM 589 CA LYS A 36 6.159 -14.358 2.017 1.00 24.21 C ATOM 590 C LYS A 36 6.373 -14.308 0.510 1.00 60.31 C ATOM 591 O LYS A 36 6.212 -13.262 -0.117 1.00 54.10 O ATOM 592 CB LYS A 36 7.499 -14.242 2.742 1.00 31.23 C ATOM 593 CG LYS A 36 8.246 -12.938 2.484 1.00 61.55 C ATOM 594 CD LYS A 36 9.621 -12.950 3.141 1.00 55.50 C ATOM 595 CE LYS A 36 9.518 -13.103 4.650 1.00 5.23 C ATOM 596 NZ LYS A 36 10.847 -13.256 5.284 1.00 75.41 N ATOM 0 H LYS A 36 6.047 -16.186 3.025 1.00 4.13 H new ATOM 0 HA LYS A 36 5.524 -13.520 2.303 1.00 24.21 H new ATOM 0 HB2 LYS A 36 7.328 -14.342 3.814 1.00 31.23 H new ATOM 0 HB3 LYS A 36 8.134 -15.075 2.441 1.00 31.23 H new ATOM 0 HG2 LYS A 36 8.355 -12.785 1.410 1.00 61.55 H new ATOM 0 HG3 LYS A 36 7.664 -12.100 2.868 1.00 61.55 H new ATOM 0 HD2 LYS A 36 10.214 -13.768 2.731 1.00 55.50 H new ATOM 0 HD3 LYS A 36 10.147 -12.025 2.903 1.00 55.50 H new ATOM 0 HE2 LYS A 36 9.015 -12.232 5.069 1.00 5.23 H new ATOM 0 HE3 LYS A 36 8.902 -13.971 4.885 1.00 5.23 H new ATOM 0 HZ1 LYS A 36 10.731 -13.357 6.313 1.00 75.41 H new ATOM 0 HZ2 LYS A 36 11.318 -14.102 4.904 1.00 75.41 H new ATOM 0 HZ3 LYS A 36 11.427 -12.417 5.082 1.00 75.41 H new ATOM 610 N GLU A 37 6.721 -15.457 -0.063 1.00 72.32 N ATOM 611 CA GLU A 37 6.965 -15.572 -1.499 1.00 63.20 C ATOM 612 C GLU A 37 5.736 -15.138 -2.285 1.00 25.01 C ATOM 613 O GLU A 37 5.828 -14.334 -3.215 1.00 11.31 O ATOM 614 CB GLU A 37 7.299 -17.019 -1.858 1.00 12.30 C ATOM 615 CG GLU A 37 8.319 -17.667 -0.946 1.00 3.05 C ATOM 616 CD GLU A 37 8.607 -19.097 -1.337 1.00 43.13 C ATOM 617 OE1 GLU A 37 7.648 -19.896 -1.438 1.00 20.01 O ATOM 618 OE2 GLU A 37 9.791 -19.431 -1.549 1.00 73.22 O ATOM 0 H GLU A 37 6.841 -16.330 0.451 1.00 72.32 H new ATOM 0 HA GLU A 37 7.804 -14.925 -1.756 1.00 63.20 H new ATOM 0 HB2 GLU A 37 6.382 -17.608 -1.835 1.00 12.30 H new ATOM 0 HB3 GLU A 37 7.672 -17.050 -2.882 1.00 12.30 H new ATOM 0 HG2 GLU A 37 9.244 -17.092 -0.972 1.00 3.05 H new ATOM 0 HG3 GLU A 37 7.955 -17.639 0.081 1.00 3.05 H new ATOM 625 N GLU A 38 4.588 -15.666 -1.885 1.00 1.14 N ATOM 626 CA GLU A 38 3.324 -15.374 -2.539 1.00 23.54 C ATOM 627 C GLU A 38 2.967 -13.904 -2.404 1.00 70.11 C ATOM 628 O GLU A 38 2.461 -13.291 -3.346 1.00 20.15 O ATOM 629 CB GLU A 38 2.216 -16.236 -1.945 1.00 40.53 C ATOM 630 CG GLU A 38 2.413 -17.722 -2.165 1.00 2.14 C ATOM 631 CD GLU A 38 1.342 -18.549 -1.501 1.00 53.20 C ATOM 632 OE1 GLU A 38 0.247 -18.684 -2.079 1.00 44.32 O ATOM 633 OE2 GLU A 38 1.591 -19.073 -0.394 1.00 3.41 O ATOM 0 H GLU A 38 4.508 -16.309 -1.097 1.00 1.14 H new ATOM 0 HA GLU A 38 3.429 -15.604 -3.599 1.00 23.54 H new ATOM 0 HB2 GLU A 38 2.152 -16.042 -0.874 1.00 40.53 H new ATOM 0 HB3 GLU A 38 1.263 -15.937 -2.381 1.00 40.53 H new ATOM 0 HG2 GLU A 38 2.418 -17.930 -3.235 1.00 2.14 H new ATOM 0 HG3 GLU A 38 3.388 -18.017 -1.778 1.00 2.14 H new ATOM 640 N ALA A 39 3.235 -13.344 -1.234 1.00 60.23 N ATOM 641 CA ALA A 39 2.946 -11.945 -0.972 1.00 22.15 C ATOM 642 C ALA A 39 3.823 -11.041 -1.831 1.00 52.44 C ATOM 643 O ALA A 39 3.343 -10.065 -2.407 1.00 44.12 O ATOM 644 CB ALA A 39 3.140 -11.631 0.504 1.00 23.25 C ATOM 0 H ALA A 39 3.654 -13.841 -0.448 1.00 60.23 H new ATOM 0 HA ALA A 39 1.905 -11.756 -1.233 1.00 22.15 H new ATOM 0 HB1 ALA A 39 2.920 -10.579 0.684 1.00 23.25 H new ATOM 0 HB2 ALA A 39 2.468 -12.250 1.099 1.00 23.25 H new ATOM 0 HB3 ALA A 39 4.172 -11.839 0.788 1.00 23.25 H new ATOM 650 N LEU A 40 5.103 -11.385 -1.929 1.00 23.33 N ATOM 651 CA LEU A 40 6.050 -10.608 -2.722 1.00 52.43 C ATOM 652 C LEU A 40 5.666 -10.619 -4.200 1.00 20.32 C ATOM 653 O LEU A 40 5.748 -9.591 -4.881 1.00 45.43 O ATOM 654 CB LEU A 40 7.472 -11.145 -2.541 1.00 24.11 C ATOM 655 CG LEU A 40 8.573 -10.391 -3.295 1.00 61.11 C ATOM 656 CD1 LEU A 40 8.665 -8.947 -2.819 1.00 30.34 C ATOM 657 CD2 LEU A 40 9.908 -11.093 -3.128 1.00 64.02 C ATOM 0 H LEU A 40 5.510 -12.199 -1.468 1.00 23.33 H new ATOM 0 HA LEU A 40 6.017 -9.578 -2.368 1.00 52.43 H new ATOM 0 HB2 LEU A 40 7.712 -11.132 -1.478 1.00 24.11 H new ATOM 0 HB3 LEU A 40 7.489 -12.187 -2.859 1.00 24.11 H new ATOM 0 HG LEU A 40 8.316 -10.383 -4.354 1.00 61.11 H new ATOM 0 HD11 LEU A 40 9.453 -8.432 -3.368 1.00 30.34 H new ATOM 0 HD12 LEU A 40 7.713 -8.445 -2.994 1.00 30.34 H new ATOM 0 HD13 LEU A 40 8.894 -8.929 -1.754 1.00 30.34 H new ATOM 0 HD21 LEU A 40 10.678 -10.544 -3.670 1.00 64.02 H new ATOM 0 HD22 LEU A 40 10.168 -11.134 -2.070 1.00 64.02 H new ATOM 0 HD23 LEU A 40 9.838 -12.106 -3.524 1.00 64.02 H new ATOM 669 N GLU A 41 5.241 -11.777 -4.693 1.00 4.22 N ATOM 670 CA GLU A 41 4.832 -11.898 -6.086 1.00 71.33 C ATOM 671 C GLU A 41 3.594 -11.059 -6.362 1.00 45.41 C ATOM 672 O GLU A 41 3.463 -10.469 -7.434 1.00 1.41 O ATOM 673 CB GLU A 41 4.577 -13.352 -6.465 1.00 42.05 C ATOM 674 CG GLU A 41 5.809 -14.231 -6.389 1.00 40.52 C ATOM 675 CD GLU A 41 5.618 -15.543 -7.107 1.00 71.42 C ATOM 676 OE1 GLU A 41 5.089 -16.495 -6.497 1.00 44.33 O ATOM 677 OE2 GLU A 41 5.987 -15.627 -8.294 1.00 42.44 O ATOM 0 H GLU A 41 5.171 -12.639 -4.153 1.00 4.22 H new ATOM 0 HA GLU A 41 5.651 -11.525 -6.701 1.00 71.33 H new ATOM 0 HB2 GLU A 41 3.810 -13.760 -5.806 1.00 42.05 H new ATOM 0 HB3 GLU A 41 4.178 -13.389 -7.479 1.00 42.05 H new ATOM 0 HG2 GLU A 41 6.658 -13.702 -6.822 1.00 40.52 H new ATOM 0 HG3 GLU A 41 6.052 -14.423 -5.344 1.00 40.52 H new ATOM 684 N LEU A 42 2.689 -10.998 -5.387 1.00 43.13 N ATOM 685 CA LEU A 42 1.485 -10.189 -5.519 1.00 62.03 C ATOM 686 C LEU A 42 1.854 -8.728 -5.681 1.00 55.23 C ATOM 687 O LEU A 42 1.279 -8.025 -6.508 1.00 72.53 O ATOM 688 CB LEU A 42 0.563 -10.367 -4.308 1.00 24.03 C ATOM 689 CG LEU A 42 -0.098 -11.741 -4.164 1.00 32.22 C ATOM 690 CD1 LEU A 42 -0.932 -11.796 -2.897 1.00 44.35 C ATOM 691 CD2 LEU A 42 -0.957 -12.055 -5.381 1.00 74.15 C ATOM 0 H LEU A 42 2.768 -11.498 -4.501 1.00 43.13 H new ATOM 0 HA LEU A 42 0.948 -10.524 -6.406 1.00 62.03 H new ATOM 0 HB2 LEU A 42 1.139 -10.167 -3.405 1.00 24.03 H new ATOM 0 HB3 LEU A 42 -0.221 -9.612 -4.359 1.00 24.03 H new ATOM 0 HG LEU A 42 0.687 -12.494 -4.096 1.00 32.22 H new ATOM 0 HD11 LEU A 42 -1.395 -12.779 -2.809 1.00 44.35 H new ATOM 0 HD12 LEU A 42 -0.293 -11.617 -2.032 1.00 44.35 H new ATOM 0 HD13 LEU A 42 -1.708 -11.032 -2.939 1.00 44.35 H new ATOM 0 HD21 LEU A 42 -1.417 -13.035 -5.258 1.00 74.15 H new ATOM 0 HD22 LEU A 42 -1.735 -11.299 -5.482 1.00 74.15 H new ATOM 0 HD23 LEU A 42 -0.334 -12.056 -6.276 1.00 74.15 H new ATOM 703 N ILE A 43 2.833 -8.283 -4.892 1.00 60.55 N ATOM 704 CA ILE A 43 3.317 -6.908 -4.960 1.00 2.13 C ATOM 705 C ILE A 43 3.744 -6.572 -6.381 1.00 34.54 C ATOM 706 O ILE A 43 3.290 -5.585 -6.961 1.00 22.33 O ATOM 707 CB ILE A 43 4.522 -6.678 -4.009 1.00 34.41 C ATOM 708 CG1 ILE A 43 4.138 -6.994 -2.558 1.00 23.40 C ATOM 709 CG2 ILE A 43 5.039 -5.248 -4.127 1.00 23.53 C ATOM 710 CD1 ILE A 43 3.011 -6.139 -2.024 1.00 54.53 C ATOM 0 H ILE A 43 3.306 -8.859 -4.196 1.00 60.55 H new ATOM 0 HA ILE A 43 2.497 -6.260 -4.649 1.00 2.13 H new ATOM 0 HB ILE A 43 5.322 -7.356 -4.307 1.00 34.41 H new ATOM 0 HG12 ILE A 43 3.850 -8.043 -2.489 1.00 23.40 H new ATOM 0 HG13 ILE A 43 5.014 -6.861 -1.923 1.00 23.40 H new ATOM 0 HG21 ILE A 43 5.883 -5.109 -3.452 1.00 23.53 H new ATOM 0 HG22 ILE A 43 5.359 -5.060 -5.152 1.00 23.53 H new ATOM 0 HG23 ILE A 43 4.244 -4.551 -3.862 1.00 23.53 H new ATOM 0 HD11 ILE A 43 2.797 -6.421 -0.993 1.00 54.53 H new ATOM 0 HD12 ILE A 43 3.302 -5.089 -2.060 1.00 54.53 H new ATOM 0 HD13 ILE A 43 2.120 -6.289 -2.634 1.00 54.53 H new ATOM 722 N ASN A 44 4.600 -7.416 -6.942 1.00 2.32 N ATOM 723 CA ASN A 44 5.099 -7.222 -8.301 1.00 62.11 C ATOM 724 C ASN A 44 3.957 -7.236 -9.303 1.00 73.15 C ATOM 725 O ASN A 44 3.928 -6.425 -10.236 1.00 63.43 O ATOM 726 CB ASN A 44 6.128 -8.295 -8.657 1.00 44.31 C ATOM 727 CG ASN A 44 7.395 -8.181 -7.834 1.00 72.05 C ATOM 728 OD1 ASN A 44 7.794 -7.084 -7.430 1.00 45.34 O ATOM 729 ND2 ASN A 44 8.035 -9.301 -7.580 1.00 12.11 N ATOM 0 H ASN A 44 4.966 -8.246 -6.476 1.00 2.32 H new ATOM 0 HA ASN A 44 5.584 -6.247 -8.345 1.00 62.11 H new ATOM 0 HB2 ASN A 44 5.688 -9.280 -8.505 1.00 44.31 H new ATOM 0 HB3 ASN A 44 6.378 -8.217 -9.715 1.00 44.31 H new ATOM 0 HD21 ASN A 44 8.894 -9.284 -7.031 1.00 12.11 H new ATOM 0 HD22 ASN A 44 7.672 -10.187 -7.932 1.00 12.11 H new ATOM 736 N GLY A 45 3.012 -8.151 -9.103 1.00 71.03 N ATOM 737 CA GLY A 45 1.858 -8.235 -9.975 1.00 64.34 C ATOM 738 C GLY A 45 1.060 -6.947 -9.977 1.00 75.35 C ATOM 739 O GLY A 45 0.694 -6.433 -11.042 1.00 35.01 O ATOM 0 H GLY A 45 3.027 -8.837 -8.349 1.00 71.03 H new ATOM 0 HA2 GLY A 45 2.185 -8.462 -10.990 1.00 64.34 H new ATOM 0 HA3 GLY A 45 1.219 -9.058 -9.654 1.00 64.34 H new ATOM 743 N TYR A 46 0.802 -6.413 -8.785 1.00 24.13 N ATOM 744 CA TYR A 46 0.068 -5.164 -8.651 1.00 41.13 C ATOM 745 C TYR A 46 0.831 -4.037 -9.318 1.00 15.12 C ATOM 746 O TYR A 46 0.281 -3.318 -10.143 1.00 14.21 O ATOM 747 CB TYR A 46 -0.182 -4.817 -7.178 1.00 63.40 C ATOM 748 CG TYR A 46 -0.964 -5.861 -6.414 1.00 13.42 C ATOM 749 CD1 TYR A 46 -1.967 -6.603 -7.026 1.00 71.24 C ATOM 750 CD2 TYR A 46 -0.694 -6.110 -5.075 1.00 20.33 C ATOM 751 CE1 TYR A 46 -2.674 -7.557 -6.326 1.00 14.42 C ATOM 752 CE2 TYR A 46 -1.399 -7.062 -4.370 1.00 41.54 C ATOM 753 CZ TYR A 46 -2.384 -7.782 -4.997 1.00 2.52 C ATOM 754 OH TYR A 46 -3.088 -8.730 -4.294 1.00 0.31 O ATOM 0 H TYR A 46 1.092 -6.829 -7.900 1.00 24.13 H new ATOM 0 HA TYR A 46 -0.898 -5.291 -9.140 1.00 41.13 H new ATOM 0 HB2 TYR A 46 0.778 -4.667 -6.685 1.00 63.40 H new ATOM 0 HB3 TYR A 46 -0.718 -3.869 -7.127 1.00 63.40 H new ATOM 0 HD1 TYR A 46 -2.196 -6.429 -8.067 1.00 71.24 H new ATOM 0 HD2 TYR A 46 0.082 -5.548 -4.577 1.00 20.33 H new ATOM 0 HE1 TYR A 46 -3.451 -8.125 -6.816 1.00 14.42 H new ATOM 0 HE2 TYR A 46 -1.177 -7.240 -3.328 1.00 41.54 H new ATOM 0 HH TYR A 46 -2.759 -8.764 -3.371 1.00 0.31 H new ATOM 764 N ILE A 47 2.114 -3.911 -8.967 1.00 20.31 N ATOM 765 CA ILE A 47 2.986 -2.877 -9.531 1.00 34.21 C ATOM 766 C ILE A 47 2.903 -2.862 -11.057 1.00 3.20 C ATOM 767 O ILE A 47 2.780 -1.797 -11.675 1.00 34.22 O ATOM 768 CB ILE A 47 4.464 -3.084 -9.090 1.00 44.25 C ATOM 769 CG1 ILE A 47 4.611 -2.851 -7.581 1.00 2.44 C ATOM 770 CG2 ILE A 47 5.402 -2.170 -9.870 1.00 74.31 C ATOM 771 CD1 ILE A 47 6.015 -3.089 -7.058 1.00 50.23 C ATOM 0 H ILE A 47 2.575 -4.518 -8.289 1.00 20.31 H new ATOM 0 HA ILE A 47 2.638 -1.917 -9.149 1.00 34.21 H new ATOM 0 HB ILE A 47 4.742 -4.115 -9.310 1.00 44.25 H new ATOM 0 HG12 ILE A 47 4.316 -1.827 -7.351 1.00 2.44 H new ATOM 0 HG13 ILE A 47 3.920 -3.508 -7.052 1.00 2.44 H new ATOM 0 HG21 ILE A 47 6.428 -2.336 -9.541 1.00 74.31 H new ATOM 0 HG22 ILE A 47 5.322 -2.390 -10.935 1.00 74.31 H new ATOM 0 HG23 ILE A 47 5.128 -1.130 -9.692 1.00 74.31 H new ATOM 0 HD11 ILE A 47 6.039 -2.904 -5.984 1.00 50.23 H new ATOM 0 HD12 ILE A 47 6.307 -4.120 -7.255 1.00 50.23 H new ATOM 0 HD13 ILE A 47 6.709 -2.413 -7.558 1.00 50.23 H new ATOM 783 N GLN A 48 2.945 -4.045 -11.649 1.00 52.21 N ATOM 784 CA GLN A 48 2.860 -4.185 -13.092 1.00 64.31 C ATOM 785 C GLN A 48 1.541 -3.636 -13.627 1.00 32.20 C ATOM 786 O GLN A 48 1.532 -2.803 -14.530 1.00 71.14 O ATOM 787 CB GLN A 48 3.035 -5.648 -13.503 1.00 45.41 C ATOM 788 CG GLN A 48 4.478 -6.130 -13.470 1.00 70.24 C ATOM 789 CD GLN A 48 5.371 -5.416 -14.482 1.00 64.33 C ATOM 790 OE1 GLN A 48 4.812 -5.031 -15.622 1.00 44.32 O flip ATOM 791 NE2 GLN A 48 6.569 -5.230 -14.244 1.00 45.20 N flip ATOM 0 H GLN A 48 3.038 -4.928 -11.147 1.00 52.21 H new ATOM 0 HA GLN A 48 3.669 -3.600 -13.530 1.00 64.31 H new ATOM 0 HB2 GLN A 48 2.438 -6.275 -12.841 1.00 45.41 H new ATOM 0 HB3 GLN A 48 2.641 -5.782 -14.510 1.00 45.41 H new ATOM 0 HG2 GLN A 48 4.882 -5.980 -12.469 1.00 70.24 H new ATOM 0 HG3 GLN A 48 4.501 -7.202 -13.666 1.00 70.24 H new ATOM 0 HE21 GLN A 48 6.967 -5.539 -13.357 1.00 45.20 H new ATOM 0 HE22 GLN A 48 7.160 -4.768 -14.935 1.00 45.20 H new ATOM 800 N LYS A 49 0.434 -4.072 -13.048 1.00 22.42 N ATOM 801 CA LYS A 49 -0.887 -3.651 -13.509 1.00 10.24 C ATOM 802 C LYS A 49 -1.140 -2.165 -13.269 1.00 54.33 C ATOM 803 O LYS A 49 -1.777 -1.497 -14.088 1.00 41.22 O ATOM 804 CB LYS A 49 -1.978 -4.488 -12.846 1.00 30.34 C ATOM 805 CG LYS A 49 -1.977 -5.935 -13.291 1.00 11.40 C ATOM 806 CD LYS A 49 -3.112 -6.717 -12.658 1.00 53.54 C ATOM 807 CE LYS A 49 -3.187 -8.121 -13.228 1.00 14.14 C ATOM 808 NZ LYS A 49 -3.509 -8.115 -14.681 1.00 73.51 N ATOM 0 H LYS A 49 0.420 -4.717 -12.258 1.00 22.42 H new ATOM 0 HA LYS A 49 -0.915 -3.814 -14.586 1.00 10.24 H new ATOM 0 HB2 LYS A 49 -1.850 -4.448 -11.764 1.00 30.34 H new ATOM 0 HB3 LYS A 49 -2.950 -4.047 -13.069 1.00 30.34 H new ATOM 0 HG2 LYS A 49 -2.064 -5.982 -14.377 1.00 11.40 H new ATOM 0 HG3 LYS A 49 -1.025 -6.396 -13.027 1.00 11.40 H new ATOM 0 HD2 LYS A 49 -2.968 -6.766 -11.579 1.00 53.54 H new ATOM 0 HD3 LYS A 49 -4.056 -6.200 -12.830 1.00 53.54 H new ATOM 0 HE2 LYS A 49 -2.235 -8.628 -13.069 1.00 14.14 H new ATOM 0 HE3 LYS A 49 -3.945 -8.691 -12.691 1.00 14.14 H new ATOM 0 HZ1 LYS A 49 -3.634 -9.093 -15.013 1.00 73.51 H new ATOM 0 HZ2 LYS A 49 -4.387 -7.580 -14.840 1.00 73.51 H new ATOM 0 HZ3 LYS A 49 -2.731 -7.668 -15.207 1.00 73.51 H new ATOM 822 N ILE A 50 -0.635 -1.655 -12.160 1.00 32.02 N ATOM 823 CA ILE A 50 -0.826 -0.255 -11.795 1.00 72.30 C ATOM 824 C ILE A 50 -0.143 0.690 -12.790 1.00 64.43 C ATOM 825 O ILE A 50 -0.778 1.596 -13.331 1.00 41.23 O ATOM 826 CB ILE A 50 -0.300 0.029 -10.363 1.00 2.22 C ATOM 827 CG1 ILE A 50 -1.103 -0.775 -9.336 1.00 11.22 C ATOM 828 CG2 ILE A 50 -0.371 1.519 -10.043 1.00 72.04 C ATOM 829 CD1 ILE A 50 -0.500 -0.776 -7.947 1.00 14.12 C ATOM 0 H ILE A 50 -0.085 -2.191 -11.489 1.00 32.02 H new ATOM 0 HA ILE A 50 -1.899 -0.068 -11.823 1.00 72.30 H new ATOM 0 HB ILE A 50 0.744 -0.279 -10.314 1.00 2.22 H new ATOM 0 HG12 ILE A 50 -2.113 -0.370 -9.282 1.00 11.22 H new ATOM 0 HG13 ILE A 50 -1.191 -1.804 -9.684 1.00 11.22 H new ATOM 0 HG21 ILE A 50 0.003 1.693 -9.034 1.00 72.04 H new ATOM 0 HG22 ILE A 50 0.238 2.074 -10.756 1.00 72.04 H new ATOM 0 HG23 ILE A 50 -1.405 1.857 -10.110 1.00 72.04 H new ATOM 0 HD11 ILE A 50 -1.127 -1.366 -7.279 1.00 14.12 H new ATOM 0 HD12 ILE A 50 0.499 -1.210 -7.984 1.00 14.12 H new ATOM 0 HD13 ILE A 50 -0.438 0.247 -7.577 1.00 14.12 H new ATOM 841 N LYS A 51 1.140 0.464 -13.047 1.00 25.24 N ATOM 842 CA LYS A 51 1.898 1.353 -13.929 1.00 41.21 C ATOM 843 C LYS A 51 1.580 1.125 -15.405 1.00 24.34 C ATOM 844 O LYS A 51 1.793 2.010 -16.234 1.00 50.20 O ATOM 845 CB LYS A 51 3.404 1.233 -13.675 1.00 32.24 C ATOM 846 CG LYS A 51 3.820 1.665 -12.274 1.00 64.10 C ATOM 847 CD LYS A 51 5.335 1.753 -12.128 1.00 21.14 C ATOM 848 CE LYS A 51 6.007 0.419 -12.404 1.00 72.31 C ATOM 849 NZ LYS A 51 7.472 0.473 -12.170 1.00 32.21 N ATOM 0 H LYS A 51 1.675 -0.316 -12.664 1.00 25.24 H new ATOM 0 HA LYS A 51 1.585 2.369 -13.688 1.00 41.21 H new ATOM 0 HB2 LYS A 51 3.710 0.199 -13.834 1.00 32.24 H new ATOM 0 HB3 LYS A 51 3.937 1.839 -14.407 1.00 32.24 H new ATOM 0 HG2 LYS A 51 3.377 2.635 -12.048 1.00 64.10 H new ATOM 0 HG3 LYS A 51 3.426 0.957 -11.545 1.00 64.10 H new ATOM 0 HD2 LYS A 51 5.723 2.505 -12.815 1.00 21.14 H new ATOM 0 HD3 LYS A 51 5.584 2.084 -11.120 1.00 21.14 H new ATOM 0 HE2 LYS A 51 5.566 -0.347 -11.766 1.00 72.31 H new ATOM 0 HE3 LYS A 51 5.816 0.124 -13.436 1.00 72.31 H new ATOM 0 HZ1 LYS A 51 7.890 -0.458 -12.370 1.00 32.21 H new ATOM 0 HZ2 LYS A 51 7.898 1.186 -12.797 1.00 32.21 H new ATOM 0 HZ3 LYS A 51 7.656 0.729 -11.179 1.00 32.21 H new ATOM 863 N SER A 52 1.068 -0.050 -15.736 1.00 41.20 N ATOM 864 CA SER A 52 0.710 -0.349 -17.119 1.00 13.02 C ATOM 865 C SER A 52 -0.678 0.190 -17.465 1.00 22.22 C ATOM 866 O SER A 52 -1.072 0.215 -18.633 1.00 63.10 O ATOM 867 CB SER A 52 0.775 -1.851 -17.380 1.00 3.34 C ATOM 868 OG SER A 52 2.069 -2.355 -17.095 1.00 23.32 O ATOM 0 H SER A 52 0.891 -0.807 -15.076 1.00 41.20 H new ATOM 0 HA SER A 52 1.435 0.150 -17.762 1.00 13.02 H new ATOM 0 HB2 SER A 52 0.036 -2.364 -16.765 1.00 3.34 H new ATOM 0 HB3 SER A 52 0.521 -2.055 -18.420 1.00 3.34 H new ATOM 0 HG SER A 52 2.076 -2.749 -16.198 1.00 23.32 H new ATOM 874 N GLY A 53 -1.413 0.617 -16.448 1.00 33.22 N ATOM 875 CA GLY A 53 -2.736 1.159 -16.674 1.00 22.13 C ATOM 876 C GLY A 53 -3.782 0.080 -16.857 1.00 73.10 C ATOM 877 O GLY A 53 -4.798 0.297 -17.519 1.00 44.41 O ATOM 0 H GLY A 53 -1.117 0.598 -15.472 1.00 33.22 H new ATOM 0 HA2 GLY A 53 -3.015 1.791 -15.831 1.00 22.13 H new ATOM 0 HA3 GLY A 53 -2.718 1.796 -17.558 1.00 22.13 H new ATOM 881 N GLU A 54 -3.534 -1.085 -16.276 1.00 21.01 N ATOM 882 CA GLU A 54 -4.473 -2.193 -16.356 1.00 71.52 C ATOM 883 C GLU A 54 -5.588 -1.998 -15.348 1.00 40.25 C ATOM 884 O GLU A 54 -6.766 -1.994 -15.698 1.00 4.03 O ATOM 885 CB GLU A 54 -3.764 -3.525 -16.092 1.00 20.42 C ATOM 886 CG GLU A 54 -2.793 -3.940 -17.181 1.00 31.31 C ATOM 887 CD GLU A 54 -2.035 -5.204 -16.833 1.00 13.55 C ATOM 888 OE1 GLU A 54 -2.678 -6.257 -16.614 1.00 42.05 O ATOM 889 OE2 GLU A 54 -0.788 -5.154 -16.768 1.00 64.22 O ATOM 0 H GLU A 54 -2.688 -1.287 -15.743 1.00 21.01 H new ATOM 0 HA GLU A 54 -4.893 -2.217 -17.362 1.00 71.52 H new ATOM 0 HB2 GLU A 54 -3.225 -3.456 -15.147 1.00 20.42 H new ATOM 0 HB3 GLU A 54 -4.515 -4.306 -15.974 1.00 20.42 H new ATOM 0 HG2 GLU A 54 -3.340 -4.093 -18.111 1.00 31.31 H new ATOM 0 HG3 GLU A 54 -2.083 -3.132 -17.357 1.00 31.31 H new ATOM 896 N GLU A 55 -5.204 -1.817 -14.102 1.00 33.12 N ATOM 897 CA GLU A 55 -6.155 -1.630 -13.026 1.00 40.43 C ATOM 898 C GLU A 55 -5.894 -0.307 -12.329 1.00 44.43 C ATOM 899 O GLU A 55 -4.739 0.109 -12.192 1.00 54.34 O ATOM 900 CB GLU A 55 -6.032 -2.768 -12.000 1.00 73.41 C ATOM 901 CG GLU A 55 -6.230 -4.167 -12.569 1.00 62.34 C ATOM 902 CD GLU A 55 -7.629 -4.404 -13.090 1.00 25.10 C ATOM 903 OE1 GLU A 55 -8.589 -4.319 -12.294 1.00 25.23 O ATOM 904 OE2 GLU A 55 -7.777 -4.707 -14.286 1.00 34.12 O ATOM 0 H GLU A 55 -4.228 -1.795 -13.807 1.00 33.12 H new ATOM 0 HA GLU A 55 -7.159 -1.632 -13.450 1.00 40.43 H new ATOM 0 HB2 GLU A 55 -5.047 -2.716 -11.537 1.00 73.41 H new ATOM 0 HB3 GLU A 55 -6.765 -2.606 -11.209 1.00 73.41 H new ATOM 0 HG2 GLU A 55 -5.516 -4.328 -13.377 1.00 62.34 H new ATOM 0 HG3 GLU A 55 -6.008 -4.902 -11.795 1.00 62.34 H new ATOM 911 N ASP A 56 -6.952 0.368 -11.918 1.00 21.43 N ATOM 912 CA ASP A 56 -6.812 1.602 -11.153 1.00 53.51 C ATOM 913 C ASP A 56 -6.392 1.252 -9.751 1.00 33.23 C ATOM 914 O ASP A 56 -6.943 0.327 -9.168 1.00 4.24 O ATOM 915 CB ASP A 56 -8.132 2.391 -11.113 1.00 64.33 C ATOM 916 CG ASP A 56 -8.440 3.103 -12.413 1.00 24.42 C ATOM 917 OD1 ASP A 56 -9.033 2.476 -13.312 1.00 30.25 O ATOM 918 OD2 ASP A 56 -8.099 4.296 -12.539 1.00 4.23 O ATOM 0 H ASP A 56 -7.916 0.087 -12.098 1.00 21.43 H new ATOM 0 HA ASP A 56 -6.062 2.230 -11.634 1.00 53.51 H new ATOM 0 HB2 ASP A 56 -8.949 1.709 -10.877 1.00 64.33 H new ATOM 0 HB3 ASP A 56 -8.086 3.123 -10.307 1.00 64.33 H new ATOM 923 N PHE A 57 -5.421 1.978 -9.209 1.00 74.34 N ATOM 924 CA PHE A 57 -4.912 1.698 -7.865 1.00 22.32 C ATOM 925 C PHE A 57 -6.061 1.628 -6.864 1.00 72.00 C ATOM 926 O PHE A 57 -6.139 0.699 -6.061 1.00 21.45 O ATOM 927 CB PHE A 57 -3.903 2.769 -7.431 1.00 54.53 C ATOM 928 CG PHE A 57 -3.076 2.383 -6.224 1.00 23.24 C ATOM 929 CD1 PHE A 57 -3.634 2.348 -4.956 1.00 0.24 C ATOM 930 CD2 PHE A 57 -1.740 2.055 -6.368 1.00 32.14 C ATOM 931 CE1 PHE A 57 -2.875 1.993 -3.859 1.00 25.13 C ATOM 932 CE2 PHE A 57 -0.975 1.699 -5.273 1.00 11.15 C ATOM 933 CZ PHE A 57 -1.544 1.670 -4.018 1.00 14.10 C ATOM 0 H PHE A 57 -4.969 2.764 -9.676 1.00 74.34 H new ATOM 0 HA PHE A 57 -4.405 0.733 -7.889 1.00 22.32 H new ATOM 0 HB2 PHE A 57 -3.233 2.982 -8.264 1.00 54.53 H new ATOM 0 HB3 PHE A 57 -4.440 3.691 -7.211 1.00 54.53 H new ATOM 0 HD1 PHE A 57 -4.676 2.602 -4.824 1.00 0.24 H new ATOM 0 HD2 PHE A 57 -1.289 2.077 -7.349 1.00 32.14 H new ATOM 0 HE1 PHE A 57 -3.323 1.968 -2.877 1.00 25.13 H new ATOM 0 HE2 PHE A 57 0.067 1.444 -5.401 1.00 11.15 H new ATOM 0 HZ PHE A 57 -0.948 1.395 -3.160 1.00 14.10 H new ATOM 943 N GLU A 58 -6.952 2.609 -6.932 1.00 34.30 N ATOM 944 CA GLU A 58 -8.111 2.670 -6.054 1.00 1.41 C ATOM 945 C GLU A 58 -8.944 1.392 -6.162 1.00 1.32 C ATOM 946 O GLU A 58 -9.175 0.706 -5.170 1.00 2.44 O ATOM 947 CB GLU A 58 -8.993 3.887 -6.388 1.00 51.34 C ATOM 948 CG GLU A 58 -8.272 5.230 -6.351 1.00 20.12 C ATOM 949 CD GLU A 58 -7.578 5.557 -7.655 1.00 14.00 C ATOM 950 OE1 GLU A 58 -6.448 5.082 -7.869 1.00 64.14 O ATOM 951 OE2 GLU A 58 -8.166 6.288 -8.476 1.00 64.13 O ATOM 0 H GLU A 58 -6.891 3.382 -7.595 1.00 34.30 H new ATOM 0 HA GLU A 58 -7.743 2.770 -5.033 1.00 1.41 H new ATOM 0 HB2 GLU A 58 -9.419 3.747 -7.381 1.00 51.34 H new ATOM 0 HB3 GLU A 58 -9.826 3.918 -5.685 1.00 51.34 H new ATOM 0 HG2 GLU A 58 -8.990 6.017 -6.119 1.00 20.12 H new ATOM 0 HG3 GLU A 58 -7.538 5.221 -5.546 1.00 20.12 H new ATOM 958 N SER A 59 -9.370 1.076 -7.374 1.00 24.05 N ATOM 959 CA SER A 59 -10.200 -0.096 -7.630 1.00 1.05 C ATOM 960 C SER A 59 -9.456 -1.392 -7.284 1.00 23.11 C ATOM 961 O SER A 59 -10.056 -2.353 -6.793 1.00 1.42 O ATOM 962 CB SER A 59 -10.643 -0.104 -9.099 1.00 1.23 C ATOM 963 OG SER A 59 -11.476 -1.216 -9.394 1.00 14.52 O ATOM 0 H SER A 59 -9.152 1.621 -8.208 1.00 24.05 H new ATOM 0 HA SER A 59 -11.081 -0.042 -6.990 1.00 1.05 H new ATOM 0 HB2 SER A 59 -11.177 0.819 -9.322 1.00 1.23 H new ATOM 0 HB3 SER A 59 -9.764 -0.127 -9.743 1.00 1.23 H new ATOM 0 HG SER A 59 -11.739 -1.186 -10.338 1.00 14.52 H new ATOM 969 N LEU A 60 -8.155 -1.405 -7.537 1.00 22.53 N ATOM 970 CA LEU A 60 -7.321 -2.564 -7.263 1.00 4.34 C ATOM 971 C LEU A 60 -7.233 -2.817 -5.763 1.00 15.12 C ATOM 972 O LEU A 60 -7.516 -3.917 -5.292 1.00 10.13 O ATOM 973 CB LEU A 60 -5.915 -2.348 -7.839 1.00 71.54 C ATOM 974 CG LEU A 60 -4.966 -3.548 -7.777 1.00 52.22 C ATOM 975 CD1 LEU A 60 -5.416 -4.640 -8.730 1.00 33.40 C ATOM 976 CD2 LEU A 60 -3.547 -3.119 -8.093 1.00 11.21 C ATOM 0 H LEU A 60 -7.650 -0.614 -7.937 1.00 22.53 H new ATOM 0 HA LEU A 60 -7.773 -3.435 -7.738 1.00 4.34 H new ATOM 0 HB2 LEU A 60 -6.015 -2.044 -8.881 1.00 71.54 H new ATOM 0 HB3 LEU A 60 -5.451 -1.517 -7.308 1.00 71.54 H new ATOM 0 HG LEU A 60 -4.989 -3.949 -6.764 1.00 52.22 H new ATOM 0 HD11 LEU A 60 -4.727 -5.483 -8.669 1.00 33.40 H new ATOM 0 HD12 LEU A 60 -6.418 -4.970 -8.458 1.00 33.40 H new ATOM 0 HD13 LEU A 60 -5.426 -4.252 -9.749 1.00 33.40 H new ATOM 0 HD21 LEU A 60 -2.886 -3.984 -8.044 1.00 11.21 H new ATOM 0 HD22 LEU A 60 -3.511 -2.691 -9.095 1.00 11.21 H new ATOM 0 HD23 LEU A 60 -3.222 -2.373 -7.367 1.00 11.21 H new ATOM 988 N ALA A 61 -6.864 -1.785 -5.016 1.00 11.42 N ATOM 989 CA ALA A 61 -6.724 -1.891 -3.572 1.00 65.44 C ATOM 990 C ALA A 61 -8.046 -2.254 -2.912 1.00 34.43 C ATOM 991 O ALA A 61 -8.079 -3.026 -1.966 1.00 33.23 O ATOM 992 CB ALA A 61 -6.178 -0.595 -2.995 1.00 54.53 C ATOM 0 H ALA A 61 -6.655 -0.859 -5.391 1.00 11.42 H new ATOM 0 HA ALA A 61 -6.016 -2.693 -3.363 1.00 65.44 H new ATOM 0 HB1 ALA A 61 -6.079 -0.691 -1.914 1.00 54.53 H new ATOM 0 HB2 ALA A 61 -5.201 -0.385 -3.431 1.00 54.53 H new ATOM 0 HB3 ALA A 61 -6.861 0.222 -3.226 1.00 54.53 H new ATOM 998 N SER A 62 -9.136 -1.718 -3.452 1.00 51.40 N ATOM 999 CA SER A 62 -10.482 -1.950 -2.917 1.00 0.35 C ATOM 1000 C SER A 62 -10.893 -3.433 -2.944 1.00 43.35 C ATOM 1001 O SER A 62 -11.923 -3.801 -2.380 1.00 50.02 O ATOM 1002 CB SER A 62 -11.499 -1.112 -3.681 1.00 40.22 C ATOM 1003 OG SER A 62 -11.193 0.266 -3.585 1.00 11.34 O ATOM 0 H SER A 62 -9.116 -1.111 -4.271 1.00 51.40 H new ATOM 0 HA SER A 62 -10.462 -1.648 -1.870 1.00 0.35 H new ATOM 0 HB2 SER A 62 -11.511 -1.414 -4.728 1.00 40.22 H new ATOM 0 HB3 SER A 62 -12.498 -1.295 -3.285 1.00 40.22 H new ATOM 0 HG SER A 62 -10.444 0.477 -4.180 1.00 11.34 H new ATOM 1009 N GLN A 63 -10.100 -4.271 -3.597 1.00 0.02 N ATOM 1010 CA GLN A 63 -10.402 -5.696 -3.666 1.00 54.31 C ATOM 1011 C GLN A 63 -9.190 -6.548 -3.305 1.00 30.44 C ATOM 1012 O GLN A 63 -9.319 -7.566 -2.634 1.00 34.42 O ATOM 1013 CB GLN A 63 -10.894 -6.077 -5.066 1.00 34.31 C ATOM 1014 CG GLN A 63 -12.211 -5.431 -5.468 1.00 53.34 C ATOM 1015 CD GLN A 63 -12.656 -5.830 -6.865 1.00 73.01 C ATOM 1016 OE1 GLN A 63 -11.704 -6.084 -7.747 1.00 14.31 O flip ATOM 1017 NE2 GLN A 63 -13.852 -5.910 -7.151 1.00 50.20 N flip ATOM 0 H GLN A 63 -9.248 -3.993 -4.084 1.00 0.02 H new ATOM 0 HA GLN A 63 -11.189 -5.892 -2.938 1.00 54.31 H new ATOM 0 HB2 GLN A 63 -10.131 -5.800 -5.794 1.00 34.31 H new ATOM 0 HB3 GLN A 63 -11.005 -7.160 -5.116 1.00 34.31 H new ATOM 0 HG2 GLN A 63 -12.983 -5.712 -4.751 1.00 53.34 H new ATOM 0 HG3 GLN A 63 -12.109 -4.347 -5.419 1.00 53.34 H new ATOM 0 HE21 GLN A 63 -14.560 -5.707 -6.445 1.00 50.20 H new ATOM 0 HE22 GLN A 63 -14.134 -6.179 -8.093 1.00 50.20 H new ATOM 1026 N PHE A 64 -8.018 -6.124 -3.750 1.00 1.35 N ATOM 1027 CA PHE A 64 -6.802 -6.904 -3.556 1.00 51.44 C ATOM 1028 C PHE A 64 -6.084 -6.587 -2.242 1.00 22.01 C ATOM 1029 O PHE A 64 -5.093 -7.234 -1.906 1.00 0.53 O ATOM 1030 CB PHE A 64 -5.858 -6.724 -4.743 1.00 61.13 C ATOM 1031 CG PHE A 64 -6.368 -7.352 -6.016 1.00 42.44 C ATOM 1032 CD1 PHE A 64 -7.312 -6.706 -6.799 1.00 4.14 C ATOM 1033 CD2 PHE A 64 -5.897 -8.587 -6.431 1.00 31.00 C ATOM 1034 CE1 PHE A 64 -7.774 -7.279 -7.968 1.00 44.13 C ATOM 1035 CE2 PHE A 64 -6.354 -9.165 -7.599 1.00 13.41 C ATOM 1036 CZ PHE A 64 -7.294 -8.509 -8.368 1.00 52.43 C ATOM 0 H PHE A 64 -7.881 -5.245 -4.248 1.00 1.35 H new ATOM 0 HA PHE A 64 -7.109 -7.948 -3.493 1.00 51.44 H new ATOM 0 HB2 PHE A 64 -5.697 -5.659 -4.911 1.00 61.13 H new ATOM 0 HB3 PHE A 64 -4.889 -7.158 -4.496 1.00 61.13 H new ATOM 0 HD1 PHE A 64 -7.691 -5.743 -6.491 1.00 4.14 H new ATOM 0 HD2 PHE A 64 -5.162 -9.105 -5.833 1.00 31.00 H new ATOM 0 HE1 PHE A 64 -8.510 -6.765 -8.568 1.00 44.13 H new ATOM 0 HE2 PHE A 64 -5.977 -10.128 -7.910 1.00 13.41 H new ATOM 0 HZ PHE A 64 -7.653 -8.958 -9.282 1.00 52.43 H new ATOM 1046 N SER A 65 -6.558 -5.590 -1.510 1.00 5.03 N ATOM 1047 CA SER A 65 -5.987 -5.299 -0.207 1.00 33.43 C ATOM 1048 C SER A 65 -6.684 -6.117 0.846 1.00 2.11 C ATOM 1049 O SER A 65 -7.905 -6.069 0.972 1.00 45.21 O ATOM 1050 CB SER A 65 -6.071 -3.813 0.134 1.00 33.14 C ATOM 1051 OG SER A 65 -5.146 -3.077 -0.629 1.00 61.10 O ATOM 0 H SER A 65 -7.324 -4.978 -1.791 1.00 5.03 H new ATOM 0 HA SER A 65 -4.930 -5.565 -0.237 1.00 33.43 H new ATOM 0 HB2 SER A 65 -7.080 -3.447 -0.056 1.00 33.14 H new ATOM 0 HB3 SER A 65 -5.873 -3.666 1.196 1.00 33.14 H new ATOM 0 HG SER A 65 -5.321 -2.119 -0.520 1.00 61.10 H new ATOM 1057 N ASP A 66 -5.910 -6.873 1.597 1.00 32.32 N ATOM 1058 CA ASP A 66 -6.459 -7.734 2.631 1.00 2.34 C ATOM 1059 C ASP A 66 -6.911 -6.907 3.826 1.00 52.24 C ATOM 1060 O ASP A 66 -7.734 -7.358 4.635 1.00 35.03 O ATOM 1061 CB ASP A 66 -5.421 -8.771 3.090 1.00 50.20 C ATOM 1062 CG ASP A 66 -4.748 -9.510 1.941 1.00 20.10 C ATOM 1063 OD1 ASP A 66 -5.417 -10.313 1.252 1.00 72.05 O ATOM 1064 OD2 ASP A 66 -3.536 -9.294 1.731 1.00 21.41 O ATOM 0 H ASP A 66 -4.894 -6.910 1.512 1.00 32.32 H new ATOM 0 HA ASP A 66 -7.317 -8.257 2.209 1.00 2.34 H new ATOM 0 HB2 ASP A 66 -4.658 -8.270 3.685 1.00 50.20 H new ATOM 0 HB3 ASP A 66 -5.908 -9.496 3.742 1.00 50.20 H new ATOM 1069 N ALA A 67 -6.394 -5.688 3.919 1.00 22.03 N ATOM 1070 CA ALA A 67 -6.681 -4.814 5.047 1.00 21.35 C ATOM 1071 C ALA A 67 -7.756 -3.780 4.725 1.00 63.45 C ATOM 1072 O ALA A 67 -8.328 -3.773 3.630 1.00 43.03 O ATOM 1073 CB ALA A 67 -5.414 -4.126 5.508 1.00 31.41 C ATOM 0 H ALA A 67 -5.770 -5.282 3.222 1.00 22.03 H new ATOM 0 HA ALA A 67 -7.070 -5.440 5.850 1.00 21.35 H new ATOM 0 HB1 ALA A 67 -5.640 -3.475 6.352 1.00 31.41 H new ATOM 0 HB2 ALA A 67 -4.684 -4.875 5.813 1.00 31.41 H new ATOM 0 HB3 ALA A 67 -5.005 -3.532 4.691 1.00 31.41 H new ATOM 1079 N SER A 68 -7.998 -2.889 5.687 1.00 24.33 N ATOM 1080 CA SER A 68 -9.016 -1.846 5.577 1.00 62.24 C ATOM 1081 C SER A 68 -8.678 -0.817 4.494 1.00 5.24 C ATOM 1082 O SER A 68 -9.482 0.066 4.204 1.00 61.44 O ATOM 1083 CB SER A 68 -9.191 -1.151 6.924 1.00 72.44 C ATOM 1084 OG SER A 68 -9.443 -2.100 7.946 1.00 31.45 O ATOM 0 H SER A 68 -7.489 -2.871 6.571 1.00 24.33 H new ATOM 0 HA SER A 68 -9.949 -2.327 5.285 1.00 62.24 H new ATOM 0 HB2 SER A 68 -8.294 -0.580 7.164 1.00 72.44 H new ATOM 0 HB3 SER A 68 -10.016 -0.441 6.868 1.00 72.44 H new ATOM 0 HG SER A 68 -9.551 -1.637 8.803 1.00 31.45 H new ATOM 1090 N SER A 69 -7.489 -0.926 3.915 1.00 35.43 N ATOM 1091 CA SER A 69 -7.061 -0.035 2.844 1.00 10.02 C ATOM 1092 C SER A 69 -8.064 -0.079 1.684 1.00 23.23 C ATOM 1093 O SER A 69 -8.286 0.920 0.992 1.00 63.43 O ATOM 1094 CB SER A 69 -5.679 -0.457 2.369 1.00 4.31 C ATOM 1095 OG SER A 69 -4.841 -0.723 3.481 1.00 55.03 O ATOM 0 H SER A 69 -6.798 -1.630 4.173 1.00 35.43 H new ATOM 0 HA SER A 69 -7.018 0.989 3.216 1.00 10.02 H new ATOM 0 HB2 SER A 69 -5.757 -1.345 1.742 1.00 4.31 H new ATOM 0 HB3 SER A 69 -5.242 0.330 1.754 1.00 4.31 H new ATOM 0 HG SER A 69 -3.993 -0.244 3.373 1.00 55.03 H new ATOM 1101 N ALA A 70 -8.677 -1.245 1.503 1.00 41.24 N ATOM 1102 CA ALA A 70 -9.682 -1.448 0.481 1.00 44.55 C ATOM 1103 C ALA A 70 -10.941 -0.650 0.796 1.00 32.05 C ATOM 1104 O ALA A 70 -11.601 -0.128 -0.098 1.00 50.32 O ATOM 1105 CB ALA A 70 -10.020 -2.922 0.390 1.00 73.14 C ATOM 0 H ALA A 70 -8.486 -2.074 2.066 1.00 41.24 H new ATOM 0 HA ALA A 70 -9.284 -1.102 -0.473 1.00 44.55 H new ATOM 0 HB1 ALA A 70 -10.777 -3.075 -0.379 1.00 73.14 H new ATOM 0 HB2 ALA A 70 -9.123 -3.486 0.134 1.00 73.14 H new ATOM 0 HB3 ALA A 70 -10.404 -3.267 1.350 1.00 73.14 H new ATOM 1111 N LYS A 71 -11.248 -0.543 2.081 1.00 50.10 N ATOM 1112 CA LYS A 71 -12.436 0.166 2.540 1.00 11.34 C ATOM 1113 C LYS A 71 -12.262 1.668 2.369 1.00 31.21 C ATOM 1114 O LYS A 71 -13.231 2.425 2.367 1.00 71.34 O ATOM 1115 CB LYS A 71 -12.723 -0.174 4.007 1.00 62.05 C ATOM 1116 CG LYS A 71 -12.829 -1.672 4.293 1.00 61.43 C ATOM 1117 CD LYS A 71 -13.902 -2.341 3.441 1.00 20.43 C ATOM 1118 CE LYS A 71 -15.283 -1.775 3.730 1.00 2.02 C ATOM 1119 NZ LYS A 71 -16.312 -2.356 2.839 1.00 30.33 N ATOM 0 H LYS A 71 -10.685 -0.942 2.832 1.00 50.10 H new ATOM 0 HA LYS A 71 -13.284 -0.153 1.934 1.00 11.34 H new ATOM 0 HB2 LYS A 71 -11.933 0.248 4.628 1.00 62.05 H new ATOM 0 HB3 LYS A 71 -13.654 0.308 4.305 1.00 62.05 H new ATOM 0 HG2 LYS A 71 -11.866 -2.147 4.102 1.00 61.43 H new ATOM 0 HG3 LYS A 71 -13.056 -1.825 5.348 1.00 61.43 H new ATOM 0 HD2 LYS A 71 -13.666 -2.204 2.386 1.00 20.43 H new ATOM 0 HD3 LYS A 71 -13.901 -3.414 3.632 1.00 20.43 H new ATOM 0 HE2 LYS A 71 -15.547 -1.974 4.769 1.00 2.02 H new ATOM 0 HE3 LYS A 71 -15.265 -0.692 3.607 1.00 2.02 H new ATOM 0 HZ1 LYS A 71 -17.240 -1.945 3.066 1.00 30.33 H new ATOM 0 HZ2 LYS A 71 -16.073 -2.145 1.849 1.00 30.33 H new ATOM 0 HZ3 LYS A 71 -16.347 -3.387 2.974 1.00 30.33 H new ATOM 1133 N ALA A 72 -11.017 2.086 2.218 1.00 22.24 N ATOM 1134 CA ALA A 72 -10.694 3.481 2.013 1.00 4.03 C ATOM 1135 C ALA A 72 -10.621 3.780 0.526 1.00 24.22 C ATOM 1136 O ALA A 72 -10.263 4.884 0.118 1.00 61.03 O ATOM 1137 CB ALA A 72 -9.375 3.820 2.689 1.00 53.22 C ATOM 0 H ALA A 72 -10.206 1.467 2.234 1.00 22.24 H new ATOM 0 HA ALA A 72 -11.476 4.096 2.457 1.00 4.03 H new ATOM 0 HB1 ALA A 72 -9.143 4.873 2.527 1.00 53.22 H new ATOM 0 HB2 ALA A 72 -9.454 3.626 3.759 1.00 53.22 H new ATOM 0 HB3 ALA A 72 -8.581 3.205 2.266 1.00 53.22 H new ATOM 1143 N ARG A 73 -10.964 2.766 -0.279 1.00 13.30 N ATOM 1144 CA ARG A 73 -10.955 2.865 -1.735 1.00 24.21 C ATOM 1145 C ARG A 73 -9.525 3.074 -2.248 1.00 53.04 C ATOM 1146 O ARG A 73 -9.302 3.693 -3.286 1.00 4.34 O ATOM 1147 CB ARG A 73 -11.892 4.002 -2.207 1.00 11.43 C ATOM 1148 CG ARG A 73 -12.226 3.972 -3.697 1.00 72.33 C ATOM 1149 CD ARG A 73 -12.995 2.717 -4.070 1.00 42.43 C ATOM 1150 NE ARG A 73 -13.273 2.644 -5.505 1.00 12.53 N ATOM 1151 CZ ARG A 73 -13.981 1.675 -6.081 1.00 63.31 C ATOM 1152 NH1 ARG A 73 -14.462 0.676 -5.348 1.00 63.22 N ATOM 1153 NH2 ARG A 73 -14.198 1.701 -7.389 1.00 61.44 N ATOM 0 H ARG A 73 -11.256 1.852 0.068 1.00 13.30 H new ATOM 0 HA ARG A 73 -11.328 1.930 -2.152 1.00 24.21 H new ATOM 0 HB2 ARG A 73 -12.821 3.950 -1.639 1.00 11.43 H new ATOM 0 HB3 ARG A 73 -11.428 4.959 -1.971 1.00 11.43 H new ATOM 0 HG2 ARG A 73 -12.815 4.852 -3.957 1.00 72.33 H new ATOM 0 HG3 ARG A 73 -11.305 4.022 -4.278 1.00 72.33 H new ATOM 0 HD2 ARG A 73 -12.423 1.840 -3.767 1.00 42.43 H new ATOM 0 HD3 ARG A 73 -13.935 2.691 -3.518 1.00 42.43 H new ATOM 0 HE ARG A 73 -12.901 3.383 -6.102 1.00 12.53 H new ATOM 0 HH11 ARG A 73 -14.289 0.651 -4.343 1.00 63.22 H new ATOM 0 HH12 ARG A 73 -15.004 -0.066 -5.790 1.00 63.22 H new ATOM 0 HH21 ARG A 73 -13.822 2.463 -7.953 1.00 61.44 H new ATOM 0 HH22 ARG A 73 -14.740 0.959 -7.831 1.00 61.44 H new ATOM 1167 N GLY A 74 -8.556 2.548 -1.505 1.00 52.23 N ATOM 1168 CA GLY A 74 -7.165 2.661 -1.899 1.00 14.13 C ATOM 1169 C GLY A 74 -6.549 3.990 -1.505 1.00 23.54 C ATOM 1170 O GLY A 74 -5.488 4.031 -0.876 1.00 10.33 O ATOM 0 H GLY A 74 -8.712 2.043 -0.633 1.00 52.23 H new ATOM 0 HA2 GLY A 74 -6.596 1.852 -1.442 1.00 14.13 H new ATOM 0 HA3 GLY A 74 -7.087 2.535 -2.979 1.00 14.13 H new ATOM 1174 N ASP A 75 -7.211 5.070 -1.868 1.00 43.40 N ATOM 1175 CA ASP A 75 -6.729 6.414 -1.568 1.00 24.12 C ATOM 1176 C ASP A 75 -6.789 6.687 -0.074 1.00 43.24 C ATOM 1177 O ASP A 75 -7.796 6.423 0.576 1.00 44.15 O ATOM 1178 CB ASP A 75 -7.540 7.464 -2.339 1.00 71.13 C ATOM 1179 CG ASP A 75 -7.240 8.889 -1.899 1.00 51.33 C ATOM 1180 OD1 ASP A 75 -6.073 9.311 -1.966 1.00 43.50 O ATOM 1181 OD2 ASP A 75 -8.184 9.593 -1.482 1.00 14.24 O ATOM 0 H ASP A 75 -8.095 5.047 -2.377 1.00 43.40 H new ATOM 0 HA ASP A 75 -5.689 6.480 -1.886 1.00 24.12 H new ATOM 0 HB2 ASP A 75 -7.330 7.367 -3.404 1.00 71.13 H new ATOM 0 HB3 ASP A 75 -8.603 7.264 -2.204 1.00 71.13 H new ATOM 1186 N LEU A 76 -5.699 7.195 0.467 1.00 3.40 N ATOM 1187 CA LEU A 76 -5.634 7.502 1.880 1.00 73.43 C ATOM 1188 C LEU A 76 -6.061 8.950 2.103 1.00 52.30 C ATOM 1189 O LEU A 76 -6.557 9.312 3.173 1.00 70.35 O ATOM 1190 CB LEU A 76 -4.201 7.273 2.399 1.00 53.12 C ATOM 1191 CG LEU A 76 -4.054 6.783 3.852 1.00 22.54 C ATOM 1192 CD1 LEU A 76 -2.622 6.357 4.119 1.00 12.34 C ATOM 1193 CD2 LEU A 76 -4.468 7.857 4.847 1.00 12.33 C ATOM 0 H LEU A 76 -4.846 7.404 -0.052 1.00 3.40 H new ATOM 0 HA LEU A 76 -6.309 6.846 2.430 1.00 73.43 H new ATOM 0 HB2 LEU A 76 -3.716 6.547 1.746 1.00 53.12 H new ATOM 0 HB3 LEU A 76 -3.651 8.209 2.300 1.00 53.12 H new ATOM 0 HG LEU A 76 -4.717 5.928 3.982 1.00 22.54 H new ATOM 0 HD11 LEU A 76 -2.531 6.013 5.149 1.00 12.34 H new ATOM 0 HD12 LEU A 76 -2.351 5.548 3.441 1.00 12.34 H new ATOM 0 HD13 LEU A 76 -1.955 7.204 3.959 1.00 12.34 H new ATOM 0 HD21 LEU A 76 -4.352 7.477 5.862 1.00 12.33 H new ATOM 0 HD22 LEU A 76 -3.839 8.737 4.715 1.00 12.33 H new ATOM 0 HD23 LEU A 76 -5.510 8.127 4.678 1.00 12.33 H new ATOM 1205 N GLY A 77 -5.906 9.762 1.076 1.00 44.44 N ATOM 1206 CA GLY A 77 -6.227 11.158 1.196 1.00 10.53 C ATOM 1207 C GLY A 77 -5.062 11.936 1.743 1.00 22.31 C ATOM 1208 O GLY A 77 -3.946 11.416 1.816 1.00 24.14 O ATOM 0 H GLY A 77 -5.562 9.476 0.159 1.00 44.44 H new ATOM 0 HA2 GLY A 77 -6.508 11.555 0.220 1.00 10.53 H new ATOM 0 HA3 GLY A 77 -7.090 11.281 1.850 1.00 10.53 H new ATOM 1212 N ALA A 78 -5.298 13.173 2.118 1.00 34.41 N ATOM 1213 CA ALA A 78 -4.250 13.996 2.676 1.00 71.41 C ATOM 1214 C ALA A 78 -4.009 13.623 4.126 1.00 73.42 C ATOM 1215 O ALA A 78 -4.835 13.910 5.001 1.00 30.24 O ATOM 1216 CB ALA A 78 -4.605 15.470 2.560 1.00 64.02 C ATOM 0 H ALA A 78 -6.207 13.631 2.047 1.00 34.41 H new ATOM 0 HA ALA A 78 -3.335 13.820 2.111 1.00 71.41 H new ATOM 0 HB1 ALA A 78 -3.803 16.072 2.986 1.00 64.02 H new ATOM 0 HB2 ALA A 78 -4.736 15.731 1.510 1.00 64.02 H new ATOM 0 HB3 ALA A 78 -5.531 15.665 3.101 1.00 64.02 H new ATOM 1222 N PHE A 79 -2.899 12.972 4.381 1.00 11.23 N ATOM 1223 CA PHE A 79 -2.559 12.567 5.725 1.00 15.12 C ATOM 1224 C PHE A 79 -1.298 13.267 6.186 1.00 74.50 C ATOM 1225 O PHE A 79 -0.423 13.599 5.376 1.00 51.42 O ATOM 1226 CB PHE A 79 -2.398 11.036 5.823 1.00 61.44 C ATOM 1227 CG PHE A 79 -1.338 10.456 4.920 1.00 42.35 C ATOM 1228 CD1 PHE A 79 -0.028 10.323 5.356 1.00 12.42 C ATOM 1229 CD2 PHE A 79 -1.654 10.042 3.637 1.00 24.25 C ATOM 1230 CE1 PHE A 79 0.941 9.790 4.530 1.00 32.32 C ATOM 1231 CE2 PHE A 79 -0.688 9.510 2.807 1.00 75.21 C ATOM 1232 CZ PHE A 79 0.611 9.383 3.253 1.00 72.33 C ATOM 0 H PHE A 79 -2.213 12.710 3.673 1.00 11.23 H new ATOM 0 HA PHE A 79 -3.378 12.859 6.382 1.00 15.12 H new ATOM 0 HB2 PHE A 79 -2.161 10.774 6.854 1.00 61.44 H new ATOM 0 HB3 PHE A 79 -3.354 10.568 5.587 1.00 61.44 H new ATOM 0 HD1 PHE A 79 0.237 10.640 6.354 1.00 12.42 H new ATOM 0 HD2 PHE A 79 -2.669 10.137 3.281 1.00 24.25 H new ATOM 0 HE1 PHE A 79 1.957 9.691 4.883 1.00 32.32 H new ATOM 0 HE2 PHE A 79 -0.949 9.193 1.808 1.00 75.21 H new ATOM 0 HZ PHE A 79 1.368 8.966 2.605 1.00 72.33 H new ATOM 1242 N SER A 80 -1.214 13.507 7.470 1.00 2.41 N ATOM 1243 CA SER A 80 -0.064 14.151 8.039 1.00 75.25 C ATOM 1244 C SER A 80 0.997 13.115 8.362 1.00 20.14 C ATOM 1245 O SER A 80 0.682 12.007 8.807 1.00 63.31 O ATOM 1246 CB SER A 80 -0.460 14.922 9.302 1.00 51.41 C ATOM 1247 OG SER A 80 0.654 15.601 9.864 1.00 71.45 O ATOM 0 H SER A 80 -1.938 13.262 8.145 1.00 2.41 H new ATOM 0 HA SER A 80 0.342 14.859 7.316 1.00 75.25 H new ATOM 0 HB2 SER A 80 -1.243 15.641 9.061 1.00 51.41 H new ATOM 0 HB3 SER A 80 -0.876 14.232 10.036 1.00 51.41 H new ATOM 0 HG SER A 80 0.371 16.085 10.667 1.00 71.45 H new ATOM 1253 N ARG A 81 2.248 13.475 8.134 1.00 51.35 N ATOM 1254 CA ARG A 81 3.370 12.581 8.401 1.00 21.52 C ATOM 1255 C ARG A 81 3.445 12.204 9.881 1.00 42.21 C ATOM 1256 O ARG A 81 3.915 11.123 10.232 1.00 22.42 O ATOM 1257 CB ARG A 81 4.683 13.214 7.933 1.00 33.43 C ATOM 1258 CG ARG A 81 4.894 14.645 8.402 1.00 12.44 C ATOM 1259 CD ARG A 81 6.208 15.205 7.885 1.00 71.33 C ATOM 1260 NE ARG A 81 6.336 16.639 8.148 1.00 62.14 N ATOM 1261 CZ ARG A 81 7.398 17.375 7.806 1.00 72.25 C ATOM 1262 NH1 ARG A 81 8.438 16.811 7.195 1.00 11.34 N ATOM 1263 NH2 ARG A 81 7.416 18.674 8.074 1.00 12.25 N ATOM 0 H ARG A 81 2.517 14.386 7.762 1.00 51.35 H new ATOM 0 HA ARG A 81 3.208 11.663 7.837 1.00 21.52 H new ATOM 0 HB2 ARG A 81 5.513 12.603 8.287 1.00 33.43 H new ATOM 0 HB3 ARG A 81 4.714 13.194 6.844 1.00 33.43 H new ATOM 0 HG2 ARG A 81 4.069 15.269 8.057 1.00 12.44 H new ATOM 0 HG3 ARG A 81 4.885 14.678 9.491 1.00 12.44 H new ATOM 0 HD2 ARG A 81 7.037 14.675 8.354 1.00 71.33 H new ATOM 0 HD3 ARG A 81 6.281 15.025 6.812 1.00 71.33 H new ATOM 0 HE ARG A 81 5.564 17.107 8.623 1.00 62.14 H new ATOM 0 HH11 ARG A 81 8.427 15.813 6.986 1.00 11.34 H new ATOM 0 HH12 ARG A 81 9.246 17.377 6.936 1.00 11.34 H new ATOM 0 HH21 ARG A 81 6.620 19.110 8.540 1.00 12.25 H new ATOM 0 HH22 ARG A 81 8.226 19.237 7.814 1.00 12.25 H new ATOM 1277 N GLY A 82 2.942 13.081 10.741 1.00 30.04 N ATOM 1278 CA GLY A 82 2.955 12.813 12.166 1.00 10.14 C ATOM 1279 C GLY A 82 1.913 11.785 12.568 1.00 71.42 C ATOM 1280 O GLY A 82 1.927 11.283 13.693 1.00 21.13 O ATOM 0 H GLY A 82 2.525 13.974 10.477 1.00 30.04 H new ATOM 0 HA2 GLY A 82 3.944 12.458 12.458 1.00 10.14 H new ATOM 0 HA3 GLY A 82 2.776 13.741 12.710 1.00 10.14 H new ATOM 1284 N GLN A 83 1.018 11.466 11.645 1.00 22.53 N ATOM 1285 CA GLN A 83 -0.045 10.504 11.896 1.00 75.52 C ATOM 1286 C GLN A 83 0.190 9.234 11.091 1.00 14.13 C ATOM 1287 O GLN A 83 -0.705 8.396 10.950 1.00 64.12 O ATOM 1288 CB GLN A 83 -1.402 11.107 11.511 1.00 3.02 C ATOM 1289 CG GLN A 83 -1.732 12.407 12.230 1.00 43.42 C ATOM 1290 CD GLN A 83 -1.837 12.246 13.735 1.00 64.43 C ATOM 1291 OE1 GLN A 83 -2.290 11.089 14.186 1.00 34.30 O flip ATOM 1292 NE2 GLN A 83 -1.532 13.168 14.488 1.00 32.51 N flip ATOM 0 H GLN A 83 1.008 11.864 10.706 1.00 22.53 H new ATOM 0 HA GLN A 83 -0.045 10.259 12.958 1.00 75.52 H new ATOM 0 HB2 GLN A 83 -1.416 11.286 10.436 1.00 3.02 H new ATOM 0 HB3 GLN A 83 -2.184 10.378 11.723 1.00 3.02 H new ATOM 0 HG2 GLN A 83 -0.964 13.146 12.003 1.00 43.42 H new ATOM 0 HG3 GLN A 83 -2.674 12.798 11.846 1.00 43.42 H new ATOM 0 HE21 GLN A 83 -1.186 14.047 14.104 1.00 32.51 H new ATOM 0 HE22 GLN A 83 -1.625 13.054 15.497 1.00 32.51 H new ATOM 1301 N MET A 84 1.395 9.087 10.575 1.00 72.01 N ATOM 1302 CA MET A 84 1.721 7.951 9.741 1.00 54.32 C ATOM 1303 C MET A 84 3.020 7.289 10.189 1.00 21.41 C ATOM 1304 O MET A 84 3.876 7.931 10.804 1.00 42.45 O ATOM 1305 CB MET A 84 1.819 8.400 8.276 1.00 41.41 C ATOM 1306 CG MET A 84 2.104 7.279 7.297 1.00 11.21 C ATOM 1307 SD MET A 84 0.955 5.894 7.460 1.00 51.52 S ATOM 1308 CE MET A 84 -0.613 6.706 7.145 1.00 44.13 C ATOM 0 H MET A 84 2.164 9.742 10.720 1.00 72.01 H new ATOM 0 HA MET A 84 0.927 7.210 9.837 1.00 54.32 H new ATOM 0 HB2 MET A 84 0.884 8.884 7.993 1.00 41.41 H new ATOM 0 HB3 MET A 84 2.605 9.150 8.190 1.00 41.41 H new ATOM 0 HG2 MET A 84 2.053 7.669 6.281 1.00 11.21 H new ATOM 0 HG3 MET A 84 3.122 6.920 7.450 1.00 11.21 H new ATOM 0 HE1 MET A 84 -1.407 5.961 7.106 1.00 44.13 H new ATOM 0 HE2 MET A 84 -0.822 7.417 7.945 1.00 44.13 H new ATOM 0 HE3 MET A 84 -0.564 7.235 6.193 1.00 44.13 H new ATOM 1318 N GLN A 85 3.146 5.999 9.894 1.00 61.12 N ATOM 1319 CA GLN A 85 4.337 5.231 10.234 1.00 51.41 C ATOM 1320 C GLN A 85 5.552 5.782 9.498 1.00 60.04 C ATOM 1321 O GLN A 85 5.443 6.218 8.352 1.00 41.45 O ATOM 1322 CB GLN A 85 4.146 3.761 9.871 1.00 25.11 C ATOM 1323 CG GLN A 85 2.962 3.101 10.550 1.00 23.22 C ATOM 1324 CD GLN A 85 2.902 1.617 10.275 1.00 14.10 C ATOM 1325 OE1 GLN A 85 2.284 1.172 9.303 1.00 64.41 O ATOM 1326 NE2 GLN A 85 3.546 0.841 11.120 1.00 4.23 N ATOM 0 H GLN A 85 2.427 5.458 9.414 1.00 61.12 H new ATOM 0 HA GLN A 85 4.500 5.315 11.308 1.00 51.41 H new ATOM 0 HB2 GLN A 85 4.024 3.678 8.791 1.00 25.11 H new ATOM 0 HB3 GLN A 85 5.052 3.213 10.132 1.00 25.11 H new ATOM 0 HG2 GLN A 85 3.023 3.267 11.625 1.00 23.22 H new ATOM 0 HG3 GLN A 85 2.040 3.570 10.206 1.00 23.22 H new ATOM 0 HE21 GLN A 85 4.044 1.250 11.910 1.00 4.23 H new ATOM 0 HE22 GLN A 85 3.547 -0.170 10.985 1.00 4.23 H new ATOM 1335 N LYS A 86 6.703 5.740 10.150 1.00 40.51 N ATOM 1336 CA LYS A 86 7.933 6.272 9.573 1.00 44.35 C ATOM 1337 C LYS A 86 8.311 5.600 8.230 1.00 51.53 C ATOM 1338 O LYS A 86 8.597 6.301 7.267 1.00 64.43 O ATOM 1339 CB LYS A 86 9.094 6.203 10.573 1.00 2.20 C ATOM 1340 CG LYS A 86 10.383 6.823 10.058 1.00 13.21 C ATOM 1341 CD LYS A 86 10.195 8.293 9.715 1.00 45.40 C ATOM 1342 CE LYS A 86 11.473 8.912 9.176 1.00 14.21 C ATOM 1343 NZ LYS A 86 12.590 8.827 10.152 1.00 74.35 N ATOM 0 H LYS A 86 6.814 5.342 11.083 1.00 40.51 H new ATOM 0 HA LYS A 86 7.737 7.321 9.349 1.00 44.35 H new ATOM 0 HB2 LYS A 86 8.800 6.709 11.493 1.00 2.20 H new ATOM 0 HB3 LYS A 86 9.280 5.160 10.829 1.00 2.20 H new ATOM 0 HG2 LYS A 86 11.164 6.721 10.812 1.00 13.21 H new ATOM 0 HG3 LYS A 86 10.721 6.282 9.174 1.00 13.21 H new ATOM 0 HD2 LYS A 86 9.401 8.395 8.975 1.00 45.40 H new ATOM 0 HD3 LYS A 86 9.874 8.836 10.604 1.00 45.40 H new ATOM 0 HE2 LYS A 86 11.759 8.407 8.254 1.00 14.21 H new ATOM 0 HE3 LYS A 86 11.291 9.957 8.924 1.00 14.21 H new ATOM 0 HZ1 LYS A 86 13.368 9.445 9.844 1.00 74.35 H new ATOM 0 HZ2 LYS A 86 12.256 9.132 11.089 1.00 74.35 H new ATOM 0 HZ3 LYS A 86 12.929 7.845 10.207 1.00 74.35 H new ATOM 1357 N PRO A 87 8.324 4.232 8.135 1.00 24.42 N ATOM 1358 CA PRO A 87 8.654 3.545 6.872 1.00 72.24 C ATOM 1359 C PRO A 87 7.735 3.979 5.730 1.00 3.31 C ATOM 1360 O PRO A 87 8.153 4.059 4.571 1.00 13.12 O ATOM 1361 CB PRO A 87 8.432 2.062 7.200 1.00 74.30 C ATOM 1362 CG PRO A 87 8.588 1.974 8.675 1.00 52.41 C ATOM 1363 CD PRO A 87 8.053 3.264 9.222 1.00 23.41 C ATOM 0 HA PRO A 87 9.666 3.771 6.535 1.00 72.24 H new ATOM 0 HB2 PRO A 87 7.442 1.731 6.886 1.00 74.30 H new ATOM 0 HB3 PRO A 87 9.157 1.430 6.687 1.00 74.30 H new ATOM 0 HG2 PRO A 87 8.039 1.122 9.076 1.00 52.41 H new ATOM 0 HG3 PRO A 87 9.634 1.837 8.950 1.00 52.41 H new ATOM 0 HD2 PRO A 87 6.988 3.196 9.444 1.00 23.41 H new ATOM 0 HD3 PRO A 87 8.554 3.547 10.148 1.00 23.41 H new ATOM 1371 N PHE A 88 6.489 4.276 6.074 1.00 30.50 N ATOM 1372 CA PHE A 88 5.500 4.711 5.105 1.00 75.40 C ATOM 1373 C PHE A 88 5.744 6.180 4.746 1.00 10.11 C ATOM 1374 O PHE A 88 5.730 6.558 3.572 1.00 74.23 O ATOM 1375 CB PHE A 88 4.091 4.524 5.691 1.00 0.52 C ATOM 1376 CG PHE A 88 2.971 4.641 4.690 1.00 41.22 C ATOM 1377 CD1 PHE A 88 2.547 5.878 4.236 1.00 11.23 C ATOM 1378 CD2 PHE A 88 2.338 3.507 4.210 1.00 3.40 C ATOM 1379 CE1 PHE A 88 1.518 5.983 3.325 1.00 62.11 C ATOM 1380 CE2 PHE A 88 1.305 3.608 3.297 1.00 72.41 C ATOM 1381 CZ PHE A 88 0.898 4.850 2.855 1.00 3.33 C ATOM 0 H PHE A 88 6.139 4.221 7.031 1.00 30.50 H new ATOM 0 HA PHE A 88 5.584 4.112 4.198 1.00 75.40 H new ATOM 0 HB2 PHE A 88 4.036 3.543 6.164 1.00 0.52 H new ATOM 0 HB3 PHE A 88 3.938 5.265 6.476 1.00 0.52 H new ATOM 0 HD1 PHE A 88 3.029 6.773 4.601 1.00 11.23 H new ATOM 0 HD2 PHE A 88 2.655 2.533 4.553 1.00 3.40 H new ATOM 0 HE1 PHE A 88 1.199 6.956 2.981 1.00 62.11 H new ATOM 0 HE2 PHE A 88 0.818 2.717 2.930 1.00 72.41 H new ATOM 0 HZ PHE A 88 0.093 4.932 2.140 1.00 3.33 H new ATOM 1391 N GLU A 89 5.976 6.992 5.775 1.00 43.30 N ATOM 1392 CA GLU A 89 6.265 8.418 5.619 1.00 25.20 C ATOM 1393 C GLU A 89 7.480 8.620 4.722 1.00 13.23 C ATOM 1394 O GLU A 89 7.429 9.366 3.741 1.00 35.21 O ATOM 1395 CB GLU A 89 6.542 9.034 6.992 1.00 72.02 C ATOM 1396 CG GLU A 89 6.998 10.483 6.949 1.00 4.14 C ATOM 1397 CD GLU A 89 7.547 10.949 8.278 1.00 74.31 C ATOM 1398 OE1 GLU A 89 6.754 11.206 9.196 1.00 44.54 O ATOM 1399 OE2 GLU A 89 8.780 11.063 8.411 1.00 54.30 O ATOM 0 H GLU A 89 5.969 6.679 6.746 1.00 43.30 H new ATOM 0 HA GLU A 89 5.403 8.903 5.161 1.00 25.20 H new ATOM 0 HB2 GLU A 89 5.637 8.968 7.596 1.00 72.02 H new ATOM 0 HB3 GLU A 89 7.305 8.440 7.496 1.00 72.02 H new ATOM 0 HG2 GLU A 89 7.763 10.599 6.181 1.00 4.14 H new ATOM 0 HG3 GLU A 89 6.160 11.118 6.662 1.00 4.14 H new ATOM 1406 N ASP A 90 8.557 7.935 5.072 1.00 21.23 N ATOM 1407 CA ASP A 90 9.822 8.003 4.348 1.00 1.23 C ATOM 1408 C ASP A 90 9.623 7.774 2.855 1.00 64.55 C ATOM 1409 O ASP A 90 10.142 8.528 2.026 1.00 21.23 O ATOM 1410 CB ASP A 90 10.793 6.968 4.921 1.00 35.42 C ATOM 1411 CG ASP A 90 12.065 6.834 4.119 1.00 55.03 C ATOM 1412 OD1 ASP A 90 12.939 7.718 4.224 1.00 21.32 O ATOM 1413 OD2 ASP A 90 12.209 5.822 3.404 1.00 43.54 O ATOM 0 H ASP A 90 8.580 7.308 5.876 1.00 21.23 H new ATOM 0 HA ASP A 90 10.238 9.003 4.473 1.00 1.23 H new ATOM 0 HB2 ASP A 90 11.045 7.244 5.945 1.00 35.42 H new ATOM 0 HB3 ASP A 90 10.296 5.999 4.965 1.00 35.42 H new ATOM 1418 N ALA A 91 8.849 6.754 2.517 1.00 75.31 N ATOM 1419 CA ALA A 91 8.580 6.426 1.128 1.00 12.13 C ATOM 1420 C ALA A 91 7.666 7.465 0.480 1.00 74.42 C ATOM 1421 O ALA A 91 7.908 7.897 -0.640 1.00 73.53 O ATOM 1422 CB ALA A 91 7.970 5.039 1.020 1.00 70.24 C ATOM 0 H ALA A 91 8.395 6.137 3.190 1.00 75.31 H new ATOM 0 HA ALA A 91 9.528 6.434 0.591 1.00 12.13 H new ATOM 0 HB1 ALA A 91 7.774 4.808 -0.027 1.00 70.24 H new ATOM 0 HB2 ALA A 91 8.662 4.304 1.430 1.00 70.24 H new ATOM 0 HB3 ALA A 91 7.035 5.008 1.579 1.00 70.24 H new ATOM 1428 N SER A 92 6.630 7.876 1.203 1.00 35.35 N ATOM 1429 CA SER A 92 5.664 8.848 0.693 1.00 40.14 C ATOM 1430 C SER A 92 6.336 10.174 0.328 1.00 70.34 C ATOM 1431 O SER A 92 6.016 10.783 -0.693 1.00 54.33 O ATOM 1432 CB SER A 92 4.562 9.088 1.723 1.00 24.32 C ATOM 1433 OG SER A 92 3.880 7.885 2.022 1.00 54.20 O ATOM 0 H SER A 92 6.435 7.550 2.150 1.00 35.35 H new ATOM 0 HA SER A 92 5.226 8.433 -0.215 1.00 40.14 H new ATOM 0 HB2 SER A 92 4.994 9.502 2.634 1.00 24.32 H new ATOM 0 HB3 SER A 92 3.856 9.826 1.341 1.00 24.32 H new ATOM 0 HG SER A 92 4.450 7.316 2.580 1.00 54.20 H new ATOM 1439 N PHE A 93 7.279 10.600 1.153 1.00 43.41 N ATOM 1440 CA PHE A 93 7.983 11.857 0.928 1.00 74.11 C ATOM 1441 C PHE A 93 9.119 11.694 -0.073 1.00 44.01 C ATOM 1442 O PHE A 93 9.791 12.666 -0.432 1.00 32.22 O ATOM 1443 CB PHE A 93 8.503 12.432 2.247 1.00 31.05 C ATOM 1444 CG PHE A 93 7.430 13.073 3.084 1.00 10.12 C ATOM 1445 CD1 PHE A 93 6.390 12.319 3.607 1.00 13.23 C ATOM 1446 CD2 PHE A 93 7.455 14.433 3.338 1.00 21.14 C ATOM 1447 CE1 PHE A 93 5.401 12.909 4.365 1.00 15.31 C ATOM 1448 CE2 PHE A 93 6.467 15.028 4.096 1.00 15.43 C ATOM 1449 CZ PHE A 93 5.440 14.265 4.610 1.00 62.15 C ATOM 0 H PHE A 93 7.577 10.094 1.987 1.00 43.41 H new ATOM 0 HA PHE A 93 7.268 12.561 0.502 1.00 74.11 H new ATOM 0 HB2 PHE A 93 8.974 11.635 2.822 1.00 31.05 H new ATOM 0 HB3 PHE A 93 9.276 13.170 2.033 1.00 31.05 H new ATOM 0 HD1 PHE A 93 6.354 11.256 3.418 1.00 13.23 H new ATOM 0 HD2 PHE A 93 8.257 15.036 2.938 1.00 21.14 H new ATOM 0 HE1 PHE A 93 4.597 12.310 4.766 1.00 15.31 H new ATOM 0 HE2 PHE A 93 6.498 16.091 4.286 1.00 15.43 H new ATOM 0 HZ PHE A 93 4.667 14.729 5.204 1.00 62.15 H new ATOM 1459 N ALA A 94 9.336 10.469 -0.519 1.00 65.41 N ATOM 1460 CA ALA A 94 10.361 10.191 -1.509 1.00 13.44 C ATOM 1461 C ALA A 94 9.740 10.106 -2.890 1.00 43.31 C ATOM 1462 O ALA A 94 10.425 10.249 -3.907 1.00 20.10 O ATOM 1463 CB ALA A 94 11.090 8.898 -1.176 1.00 11.55 C ATOM 0 H ALA A 94 8.814 9.649 -0.210 1.00 65.41 H new ATOM 0 HA ALA A 94 11.086 11.005 -1.498 1.00 13.44 H new ATOM 0 HB1 ALA A 94 11.854 8.707 -1.929 1.00 11.55 H new ATOM 0 HB2 ALA A 94 11.560 8.987 -0.197 1.00 11.55 H new ATOM 0 HB3 ALA A 94 10.379 8.072 -1.163 1.00 11.55 H new ATOM 1469 N LEU A 95 8.437 9.889 -2.919 1.00 64.45 N ATOM 1470 CA LEU A 95 7.711 9.751 -4.164 1.00 61.32 C ATOM 1471 C LEU A 95 7.299 11.104 -4.709 1.00 55.14 C ATOM 1472 O LEU A 95 7.112 12.061 -3.960 1.00 61.02 O ATOM 1473 CB LEU A 95 6.474 8.883 -3.962 1.00 70.41 C ATOM 1474 CG LEU A 95 6.732 7.472 -3.448 1.00 74.44 C ATOM 1475 CD1 LEU A 95 5.422 6.725 -3.283 1.00 72.31 C ATOM 1476 CD2 LEU A 95 7.667 6.721 -4.386 1.00 1.34 C ATOM 0 H LEU A 95 7.857 9.804 -2.084 1.00 64.45 H new ATOM 0 HA LEU A 95 8.374 9.274 -4.885 1.00 61.32 H new ATOM 0 HB2 LEU A 95 5.809 9.389 -3.262 1.00 70.41 H new ATOM 0 HB3 LEU A 95 5.944 8.812 -4.912 1.00 70.41 H new ATOM 0 HG LEU A 95 7.215 7.541 -2.473 1.00 74.44 H new ATOM 0 HD11 LEU A 95 5.621 5.718 -2.915 1.00 72.31 H new ATOM 0 HD12 LEU A 95 4.789 7.253 -2.570 1.00 72.31 H new ATOM 0 HD13 LEU A 95 4.913 6.666 -4.245 1.00 72.31 H new ATOM 0 HD21 LEU A 95 7.838 5.716 -4.001 1.00 1.34 H new ATOM 0 HD22 LEU A 95 7.216 6.658 -5.376 1.00 1.34 H new ATOM 0 HD23 LEU A 95 8.617 7.251 -4.453 1.00 1.34 H new ATOM 1488 N ARG A 96 7.159 11.171 -6.014 1.00 73.13 N ATOM 1489 CA ARG A 96 6.747 12.386 -6.684 1.00 13.50 C ATOM 1490 C ARG A 96 5.323 12.230 -7.207 1.00 55.32 C ATOM 1491 O ARG A 96 4.669 11.217 -6.935 1.00 15.51 O ATOM 1492 CB ARG A 96 7.714 12.699 -7.826 1.00 4.33 C ATOM 1493 CG ARG A 96 9.147 12.889 -7.359 1.00 32.53 C ATOM 1494 CD ARG A 96 10.091 13.142 -8.518 1.00 11.32 C ATOM 1495 NE ARG A 96 11.466 13.344 -8.057 1.00 42.32 N ATOM 1496 CZ ARG A 96 12.390 14.043 -8.720 1.00 52.51 C ATOM 1497 NH1 ARG A 96 12.081 14.630 -9.876 1.00 24.02 N ATOM 1498 NH2 ARG A 96 13.616 14.164 -8.220 1.00 61.05 N ATOM 0 H ARG A 96 7.327 10.385 -6.642 1.00 73.13 H new ATOM 0 HA ARG A 96 6.766 13.216 -5.978 1.00 13.50 H new ATOM 0 HB2 ARG A 96 7.680 11.889 -8.555 1.00 4.33 H new ATOM 0 HB3 ARG A 96 7.382 13.602 -8.338 1.00 4.33 H new ATOM 0 HG2 ARG A 96 9.194 13.727 -6.663 1.00 32.53 H new ATOM 0 HG3 ARG A 96 9.471 12.003 -6.813 1.00 32.53 H new ATOM 0 HD2 ARG A 96 10.058 12.298 -9.207 1.00 11.32 H new ATOM 0 HD3 ARG A 96 9.760 14.020 -9.073 1.00 11.32 H new ATOM 0 HE ARG A 96 11.736 12.922 -7.169 1.00 42.32 H new ATOM 0 HH11 ARG A 96 11.138 14.545 -10.255 1.00 24.02 H new ATOM 0 HH12 ARG A 96 12.788 15.164 -10.382 1.00 24.02 H new ATOM 0 HH21 ARG A 96 13.850 13.723 -7.331 1.00 61.05 H new ATOM 0 HH22 ARG A 96 14.323 14.698 -8.726 1.00 61.05 H new ATOM 1512 N THR A 97 4.843 13.218 -7.939 1.00 62.35 N ATOM 1513 CA THR A 97 3.498 13.181 -8.485 1.00 64.01 C ATOM 1514 C THR A 97 3.329 12.001 -9.452 1.00 31.22 C ATOM 1515 O THR A 97 3.959 11.959 -10.517 1.00 61.42 O ATOM 1516 CB THR A 97 3.173 14.495 -9.219 1.00 52.03 C ATOM 1517 OG1 THR A 97 3.519 15.608 -8.378 1.00 23.11 O ATOM 1518 CG2 THR A 97 1.692 14.567 -9.569 1.00 74.14 C ATOM 0 H THR A 97 5.368 14.061 -8.171 1.00 62.35 H new ATOM 0 HA THR A 97 2.807 13.055 -7.651 1.00 64.01 H new ATOM 0 HB THR A 97 3.751 14.530 -10.143 1.00 52.03 H new ATOM 0 HG1 THR A 97 3.315 16.446 -8.844 1.00 23.11 H new ATOM 0 HG21 THR A 97 1.486 15.504 -10.087 1.00 74.14 H new ATOM 0 HG22 THR A 97 1.430 13.730 -10.216 1.00 74.14 H new ATOM 0 HG23 THR A 97 1.099 14.519 -8.655 1.00 74.14 H new ATOM 1526 N GLY A 98 2.500 11.037 -9.062 1.00 45.12 N ATOM 1527 CA GLY A 98 2.262 9.880 -9.900 1.00 73.43 C ATOM 1528 C GLY A 98 3.368 8.849 -9.793 1.00 22.03 C ATOM 1529 O GLY A 98 3.594 8.069 -10.723 1.00 4.34 O ATOM 0 H GLY A 98 1.989 11.039 -8.179 1.00 45.12 H new ATOM 0 HA2 GLY A 98 1.314 9.421 -9.620 1.00 73.43 H new ATOM 0 HA3 GLY A 98 2.167 10.200 -10.938 1.00 73.43 H new ATOM 1533 N GLU A 99 4.064 8.846 -8.669 1.00 74.21 N ATOM 1534 CA GLU A 99 5.139 7.901 -8.455 1.00 31.23 C ATOM 1535 C GLU A 99 4.740 6.871 -7.407 1.00 62.13 C ATOM 1536 O GLU A 99 3.991 7.182 -6.470 1.00 33.31 O ATOM 1537 CB GLU A 99 6.418 8.629 -8.036 1.00 52.42 C ATOM 1538 CG GLU A 99 7.661 7.759 -8.087 1.00 52.52 C ATOM 1539 CD GLU A 99 7.880 7.159 -9.457 1.00 21.33 C ATOM 1540 OE1 GLU A 99 7.211 6.163 -9.783 1.00 21.43 O ATOM 1541 OE2 GLU A 99 8.723 7.689 -10.217 1.00 51.24 O ATOM 0 H GLU A 99 3.902 9.488 -7.893 1.00 74.21 H new ATOM 0 HA GLU A 99 5.334 7.380 -9.393 1.00 31.23 H new ATOM 0 HB2 GLU A 99 6.563 9.493 -8.685 1.00 52.42 H new ATOM 0 HB3 GLU A 99 6.293 9.010 -7.022 1.00 52.42 H new ATOM 0 HG2 GLU A 99 8.531 8.354 -7.809 1.00 52.52 H new ATOM 0 HG3 GLU A 99 7.574 6.959 -7.351 1.00 52.52 H new ATOM 1548 N MET A 100 5.238 5.655 -7.563 1.00 30.01 N ATOM 1549 CA MET A 100 4.898 4.565 -6.663 1.00 63.30 C ATOM 1550 C MET A 100 6.153 3.948 -6.053 1.00 43.40 C ATOM 1551 O MET A 100 7.183 3.811 -6.724 1.00 20.31 O ATOM 1552 CB MET A 100 4.086 3.505 -7.412 1.00 14.24 C ATOM 1553 CG MET A 100 3.577 2.369 -6.537 1.00 12.10 C ATOM 1554 SD MET A 100 2.395 1.311 -7.397 1.00 71.02 S ATOM 1555 CE MET A 100 3.375 0.767 -8.787 1.00 1.10 C ATOM 0 H MET A 100 5.883 5.397 -8.310 1.00 30.01 H new ATOM 0 HA MET A 100 4.293 4.964 -5.849 1.00 63.30 H new ATOM 0 HB2 MET A 100 3.234 3.988 -7.891 1.00 14.24 H new ATOM 0 HB3 MET A 100 4.703 3.087 -8.207 1.00 14.24 H new ATOM 0 HG2 MET A 100 4.421 1.767 -6.201 1.00 12.10 H new ATOM 0 HG3 MET A 100 3.107 2.784 -5.645 1.00 12.10 H new ATOM 0 HE1 MET A 100 2.786 0.089 -9.405 1.00 1.10 H new ATOM 0 HE2 MET A 100 3.675 1.630 -9.381 1.00 1.10 H new ATOM 0 HE3 MET A 100 4.263 0.249 -8.425 1.00 1.10 H new ATOM 1565 N SER A 101 6.069 3.592 -4.783 1.00 14.42 N ATOM 1566 CA SER A 101 7.186 3.000 -4.071 1.00 1.02 C ATOM 1567 C SER A 101 7.177 1.485 -4.219 1.00 63.12 C ATOM 1568 O SER A 101 6.297 0.915 -4.878 1.00 33.23 O ATOM 1569 CB SER A 101 7.117 3.375 -2.590 1.00 65.10 C ATOM 1570 OG SER A 101 5.877 2.972 -2.023 1.00 44.10 O ATOM 0 H SER A 101 5.227 3.705 -4.219 1.00 14.42 H new ATOM 0 HA SER A 101 8.111 3.385 -4.500 1.00 1.02 H new ATOM 0 HB2 SER A 101 7.939 2.902 -2.052 1.00 65.10 H new ATOM 0 HB3 SER A 101 7.240 4.452 -2.477 1.00 65.10 H new ATOM 0 HG SER A 101 5.892 3.133 -1.056 1.00 44.10 H new ATOM 1576 N GLY A 102 8.153 0.838 -3.612 1.00 62.12 N ATOM 1577 CA GLY A 102 8.209 -0.595 -3.630 1.00 21.12 C ATOM 1578 C GLY A 102 7.492 -1.185 -2.434 1.00 14.33 C ATOM 1579 O GLY A 102 6.690 -0.497 -1.794 1.00 31.23 O ATOM 0 H GLY A 102 8.913 1.289 -3.103 1.00 62.12 H new ATOM 0 HA2 GLY A 102 7.757 -0.968 -4.549 1.00 21.12 H new ATOM 0 HA3 GLY A 102 9.249 -0.921 -3.631 1.00 21.12 H new ATOM 1583 N PRO A 103 7.753 -2.452 -2.104 1.00 60.22 N ATOM 1584 CA PRO A 103 7.118 -3.110 -0.966 1.00 41.53 C ATOM 1585 C PRO A 103 7.619 -2.578 0.382 1.00 74.41 C ATOM 1586 O PRO A 103 8.766 -2.817 0.774 1.00 35.41 O ATOM 1587 CB PRO A 103 7.507 -4.583 -1.138 1.00 32.35 C ATOM 1588 CG PRO A 103 8.765 -4.558 -1.935 1.00 65.34 C ATOM 1589 CD PRO A 103 8.679 -3.349 -2.824 1.00 54.23 C ATOM 0 HA PRO A 103 6.042 -2.937 -0.953 1.00 41.53 H new ATOM 0 HB2 PRO A 103 7.660 -5.066 -0.173 1.00 32.35 H new ATOM 0 HB3 PRO A 103 6.724 -5.141 -1.653 1.00 32.35 H new ATOM 0 HG2 PRO A 103 9.637 -4.500 -1.283 1.00 65.34 H new ATOM 0 HG3 PRO A 103 8.869 -5.468 -2.526 1.00 65.34 H new ATOM 0 HD2 PRO A 103 9.656 -2.886 -2.966 1.00 54.23 H new ATOM 0 HD3 PRO A 103 8.300 -3.605 -3.813 1.00 54.23 H new ATOM 1597 N VAL A 104 6.769 -1.835 1.071 1.00 34.22 N ATOM 1598 CA VAL A 104 7.100 -1.329 2.392 1.00 21.44 C ATOM 1599 C VAL A 104 6.686 -2.355 3.443 1.00 12.33 C ATOM 1600 O VAL A 104 5.492 -2.519 3.733 1.00 64.10 O ATOM 1601 CB VAL A 104 6.397 0.019 2.680 1.00 35.01 C ATOM 1602 CG1 VAL A 104 6.808 0.565 4.042 1.00 35.31 C ATOM 1603 CG2 VAL A 104 6.701 1.031 1.583 1.00 75.14 C ATOM 0 H VAL A 104 5.843 -1.569 0.736 1.00 34.22 H new ATOM 0 HA VAL A 104 8.176 -1.160 2.431 1.00 21.44 H new ATOM 0 HB VAL A 104 5.321 -0.157 2.695 1.00 35.01 H new ATOM 0 HG11 VAL A 104 6.301 1.513 4.222 1.00 35.31 H new ATOM 0 HG12 VAL A 104 6.531 -0.148 4.819 1.00 35.31 H new ATOM 0 HG13 VAL A 104 7.887 0.721 4.061 1.00 35.31 H new ATOM 0 HG21 VAL A 104 6.197 1.971 1.806 1.00 75.14 H new ATOM 0 HG22 VAL A 104 7.777 1.199 1.531 1.00 75.14 H new ATOM 0 HG23 VAL A 104 6.347 0.647 0.626 1.00 75.14 H new ATOM 1613 N PHE A 105 7.667 -3.052 3.993 1.00 65.32 N ATOM 1614 CA PHE A 105 7.413 -4.108 4.962 1.00 65.43 C ATOM 1615 C PHE A 105 7.230 -3.554 6.370 1.00 2.02 C ATOM 1616 O PHE A 105 8.094 -2.844 6.890 1.00 45.11 O ATOM 1617 CB PHE A 105 8.552 -5.132 4.958 1.00 31.14 C ATOM 1618 CG PHE A 105 8.717 -5.870 3.657 1.00 21.12 C ATOM 1619 CD1 PHE A 105 7.992 -7.021 3.403 1.00 12.21 C ATOM 1620 CD2 PHE A 105 9.605 -5.417 2.695 1.00 74.35 C ATOM 1621 CE1 PHE A 105 8.147 -7.705 2.213 1.00 12.23 C ATOM 1622 CE2 PHE A 105 9.763 -6.096 1.503 1.00 24.22 C ATOM 1623 CZ PHE A 105 9.033 -7.243 1.262 1.00 74.45 C ATOM 0 H PHE A 105 8.654 -2.904 3.783 1.00 65.32 H new ATOM 0 HA PHE A 105 6.485 -4.597 4.665 1.00 65.43 H new ATOM 0 HB2 PHE A 105 9.485 -4.621 5.193 1.00 31.14 H new ATOM 0 HB3 PHE A 105 8.376 -5.856 5.753 1.00 31.14 H new ATOM 0 HD1 PHE A 105 7.297 -7.389 4.144 1.00 12.21 H new ATOM 0 HD2 PHE A 105 10.181 -4.522 2.880 1.00 74.35 H new ATOM 0 HE1 PHE A 105 7.574 -8.602 2.027 1.00 12.23 H new ATOM 0 HE2 PHE A 105 10.457 -5.730 0.760 1.00 24.22 H new ATOM 0 HZ PHE A 105 9.155 -7.777 0.331 1.00 74.45 H new ATOM 1633 N THR A 106 6.101 -3.879 6.972 1.00 23.44 N ATOM 1634 CA THR A 106 5.803 -3.489 8.340 1.00 13.01 C ATOM 1635 C THR A 106 5.081 -4.632 9.039 1.00 25.35 C ATOM 1636 O THR A 106 4.736 -5.631 8.396 1.00 54.22 O ATOM 1637 CB THR A 106 4.906 -2.229 8.400 1.00 31.53 C ATOM 1638 OG1 THR A 106 3.725 -2.441 7.621 1.00 43.11 O ATOM 1639 CG2 THR A 106 5.640 -0.994 7.891 1.00 51.05 C ATOM 0 H THR A 106 5.362 -4.422 6.526 1.00 23.44 H new ATOM 0 HA THR A 106 6.748 -3.260 8.833 1.00 13.01 H new ATOM 0 HB THR A 106 4.638 -2.056 9.442 1.00 31.53 H new ATOM 0 HG1 THR A 106 3.826 -3.258 7.089 1.00 43.11 H new ATOM 0 HG21 THR A 106 4.979 -0.129 7.948 1.00 51.05 H new ATOM 0 HG22 THR A 106 6.523 -0.817 8.505 1.00 51.05 H new ATOM 0 HG23 THR A 106 5.943 -1.152 6.856 1.00 51.05 H new ATOM 1647 N ASP A 107 4.836 -4.489 10.331 1.00 45.22 N ATOM 1648 CA ASP A 107 4.128 -5.521 11.092 1.00 24.13 C ATOM 1649 C ASP A 107 2.664 -5.580 10.680 1.00 70.53 C ATOM 1650 O ASP A 107 1.990 -6.589 10.879 1.00 30.33 O ATOM 1651 CB ASP A 107 4.235 -5.268 12.599 1.00 71.43 C ATOM 1652 CG ASP A 107 5.630 -5.495 13.137 1.00 64.34 C ATOM 1653 OD1 ASP A 107 5.946 -6.642 13.519 1.00 1.42 O ATOM 1654 OD2 ASP A 107 6.417 -4.534 13.194 1.00 14.32 O ATOM 0 H ASP A 107 5.113 -3.674 10.879 1.00 45.22 H new ATOM 0 HA ASP A 107 4.599 -6.478 10.869 1.00 24.13 H new ATOM 0 HB2 ASP A 107 3.931 -4.243 12.813 1.00 71.43 H new ATOM 0 HB3 ASP A 107 3.538 -5.923 13.122 1.00 71.43 H new ATOM 1659 N SER A 108 2.183 -4.491 10.100 1.00 65.12 N ATOM 1660 CA SER A 108 0.809 -4.407 9.634 1.00 22.43 C ATOM 1661 C SER A 108 0.659 -5.061 8.256 1.00 34.24 C ATOM 1662 O SER A 108 -0.455 -5.244 7.758 1.00 61.53 O ATOM 1663 CB SER A 108 0.374 -2.941 9.569 1.00 63.31 C ATOM 1664 OG SER A 108 0.572 -2.294 10.819 1.00 44.51 O ATOM 0 H SER A 108 2.731 -3.646 9.940 1.00 65.12 H new ATOM 0 HA SER A 108 0.171 -4.943 10.337 1.00 22.43 H new ATOM 0 HB2 SER A 108 0.940 -2.424 8.794 1.00 63.31 H new ATOM 0 HB3 SER A 108 -0.677 -2.882 9.288 1.00 63.31 H new ATOM 0 HG SER A 108 0.288 -1.358 10.752 1.00 44.51 H new ATOM 1670 N GLY A 109 1.783 -5.412 7.652 1.00 40.32 N ATOM 1671 CA GLY A 109 1.767 -6.019 6.341 1.00 65.52 C ATOM 1672 C GLY A 109 2.642 -5.266 5.369 1.00 64.45 C ATOM 1673 O GLY A 109 3.478 -4.453 5.781 1.00 54.42 O ATOM 0 H GLY A 109 2.713 -5.285 8.051 1.00 40.32 H new ATOM 0 HA2 GLY A 109 2.108 -7.052 6.414 1.00 65.52 H new ATOM 0 HA3 GLY A 109 0.744 -6.047 5.965 1.00 65.52 H new ATOM 1677 N ILE A 110 2.460 -5.521 4.091 1.00 72.21 N ATOM 1678 CA ILE A 110 3.237 -4.850 3.064 1.00 12.44 C ATOM 1679 C ILE A 110 2.420 -3.717 2.462 1.00 24.11 C ATOM 1680 O ILE A 110 1.286 -3.927 2.035 1.00 4.44 O ATOM 1681 CB ILE A 110 3.651 -5.828 1.942 1.00 73.23 C ATOM 1682 CG1 ILE A 110 4.277 -7.094 2.538 1.00 20.41 C ATOM 1683 CG2 ILE A 110 4.628 -5.150 0.992 1.00 75.44 C ATOM 1684 CD1 ILE A 110 4.588 -8.165 1.512 1.00 52.41 C ATOM 0 H ILE A 110 1.778 -6.191 3.735 1.00 72.21 H new ATOM 0 HA ILE A 110 4.140 -4.457 3.530 1.00 12.44 H new ATOM 0 HB ILE A 110 2.760 -6.116 1.383 1.00 73.23 H new ATOM 0 HG12 ILE A 110 5.197 -6.823 3.057 1.00 20.41 H new ATOM 0 HG13 ILE A 110 3.599 -7.506 3.285 1.00 20.41 H new ATOM 0 HG21 ILE A 110 4.914 -5.848 0.205 1.00 75.44 H new ATOM 0 HG22 ILE A 110 4.155 -4.275 0.547 1.00 75.44 H new ATOM 0 HG23 ILE A 110 5.516 -4.841 1.543 1.00 75.44 H new ATOM 0 HD11 ILE A 110 5.028 -9.029 2.010 1.00 52.41 H new ATOM 0 HD12 ILE A 110 3.669 -8.465 1.009 1.00 52.41 H new ATOM 0 HD13 ILE A 110 5.291 -7.772 0.778 1.00 52.41 H new ATOM 1696 N HIS A 111 2.983 -2.519 2.444 1.00 10.41 N ATOM 1697 CA HIS A 111 2.271 -1.358 1.920 1.00 3.52 C ATOM 1698 C HIS A 111 2.828 -0.937 0.573 1.00 25.25 C ATOM 1699 O HIS A 111 4.044 -0.883 0.385 1.00 62.25 O ATOM 1700 CB HIS A 111 2.370 -0.150 2.876 1.00 50.25 C ATOM 1701 CG HIS A 111 1.919 -0.399 4.280 1.00 13.54 C ATOM 1702 ND1 HIS A 111 0.741 0.099 4.803 1.00 31.32 N ATOM 1703 CD2 HIS A 111 2.519 -1.059 5.289 1.00 52.43 C ATOM 1704 CE1 HIS A 111 0.647 -0.247 6.073 1.00 72.43 C ATOM 1705 NE2 HIS A 111 1.713 -0.950 6.392 1.00 52.22 N ATOM 0 H HIS A 111 3.925 -2.323 2.783 1.00 10.41 H new ATOM 0 HA HIS A 111 1.228 -1.658 1.817 1.00 3.52 H new ATOM 0 HB2 HIS A 111 3.406 0.187 2.901 1.00 50.25 H new ATOM 0 HB3 HIS A 111 1.779 0.667 2.463 1.00 50.25 H new ATOM 0 HD2 HIS A 111 3.464 -1.580 5.238 1.00 52.43 H new ATOM 0 HE1 HIS A 111 -0.166 0.004 6.738 1.00 72.43 H new ATOM 0 HE2 HIS A 111 1.908 -1.349 7.310 1.00 52.22 H new ATOM 1714 N ILE A 112 1.940 -0.664 -0.355 1.00 3.14 N ATOM 1715 CA ILE A 112 2.313 -0.096 -1.637 1.00 42.11 C ATOM 1716 C ILE A 112 1.807 1.331 -1.662 1.00 40.12 C ATOM 1717 O ILE A 112 0.632 1.579 -1.367 1.00 54.53 O ATOM 1718 CB ILE A 112 1.697 -0.869 -2.821 1.00 32.02 C ATOM 1719 CG1 ILE A 112 1.966 -2.373 -2.684 1.00 43.23 C ATOM 1720 CG2 ILE A 112 2.255 -0.342 -4.140 1.00 50.42 C ATOM 1721 CD1 ILE A 112 1.358 -3.208 -3.791 1.00 62.43 C ATOM 0 H ILE A 112 0.939 -0.828 -0.246 1.00 3.14 H new ATOM 0 HA ILE A 112 3.396 -0.150 -1.746 1.00 42.11 H new ATOM 0 HB ILE A 112 0.618 -0.715 -2.813 1.00 32.02 H new ATOM 0 HG12 ILE A 112 3.043 -2.539 -2.666 1.00 43.23 H new ATOM 0 HG13 ILE A 112 1.575 -2.716 -1.726 1.00 43.23 H new ATOM 0 HG21 ILE A 112 1.813 -0.895 -4.969 1.00 50.42 H new ATOM 0 HG22 ILE A 112 2.014 0.716 -4.240 1.00 50.42 H new ATOM 0 HG23 ILE A 112 3.337 -0.470 -4.154 1.00 50.42 H new ATOM 0 HD11 ILE A 112 1.592 -4.259 -3.624 1.00 62.43 H new ATOM 0 HD12 ILE A 112 0.276 -3.073 -3.796 1.00 62.43 H new ATOM 0 HD13 ILE A 112 1.768 -2.893 -4.751 1.00 62.43 H new ATOM 1733 N ILE A 113 2.673 2.263 -1.985 1.00 42.33 N ATOM 1734 CA ILE A 113 2.314 3.664 -1.927 1.00 25.41 C ATOM 1735 C ILE A 113 2.371 4.322 -3.299 1.00 13.55 C ATOM 1736 O ILE A 113 3.374 4.227 -4.003 1.00 61.42 O ATOM 1737 CB ILE A 113 3.264 4.419 -0.979 1.00 13.12 C ATOM 1738 CG1 ILE A 113 3.344 3.712 0.374 1.00 5.43 C ATOM 1739 CG2 ILE A 113 2.812 5.866 -0.800 1.00 21.03 C ATOM 1740 CD1 ILE A 113 4.417 4.262 1.285 1.00 44.44 C ATOM 0 H ILE A 113 3.629 2.079 -2.290 1.00 42.33 H new ATOM 0 HA ILE A 113 1.290 3.716 -1.558 1.00 25.41 H new ATOM 0 HB ILE A 113 4.258 4.425 -1.426 1.00 13.12 H new ATOM 0 HG12 ILE A 113 2.379 3.793 0.874 1.00 5.43 H new ATOM 0 HG13 ILE A 113 3.529 2.651 0.209 1.00 5.43 H new ATOM 0 HG21 ILE A 113 3.497 6.381 -0.127 1.00 21.03 H new ATOM 0 HG22 ILE A 113 2.808 6.368 -1.767 1.00 21.03 H new ATOM 0 HG23 ILE A 113 1.807 5.884 -0.378 1.00 21.03 H new ATOM 0 HD11 ILE A 113 4.413 3.711 2.225 1.00 44.44 H new ATOM 0 HD12 ILE A 113 5.390 4.156 0.806 1.00 44.44 H new ATOM 0 HD13 ILE A 113 4.222 5.316 1.481 1.00 44.44 H new ATOM 1752 N LEU A 114 1.290 4.977 -3.669 1.00 21.32 N ATOM 1753 CA LEU A 114 1.224 5.731 -4.909 1.00 12.50 C ATOM 1754 C LEU A 114 0.816 7.161 -4.593 1.00 4.03 C ATOM 1755 O LEU A 114 -0.336 7.417 -4.231 1.00 1.14 O ATOM 1756 CB LEU A 114 0.226 5.092 -5.884 1.00 44.04 C ATOM 1757 CG LEU A 114 0.010 5.833 -7.214 1.00 74.34 C ATOM 1758 CD1 LEU A 114 1.284 5.856 -8.039 1.00 22.52 C ATOM 1759 CD2 LEU A 114 -1.120 5.194 -8.003 1.00 22.25 C ATOM 0 H LEU A 114 0.431 5.003 -3.120 1.00 21.32 H new ATOM 0 HA LEU A 114 2.204 5.725 -5.387 1.00 12.50 H new ATOM 0 HB2 LEU A 114 0.564 4.080 -6.106 1.00 44.04 H new ATOM 0 HB3 LEU A 114 -0.737 5.003 -5.380 1.00 44.04 H new ATOM 0 HG LEU A 114 -0.264 6.863 -6.984 1.00 74.34 H new ATOM 0 HD11 LEU A 114 1.102 6.386 -8.974 1.00 22.52 H new ATOM 0 HD12 LEU A 114 2.070 6.364 -7.480 1.00 22.52 H new ATOM 0 HD13 LEU A 114 1.596 4.834 -8.256 1.00 22.52 H new ATOM 0 HD21 LEU A 114 -1.258 5.732 -8.941 1.00 22.25 H new ATOM 0 HD22 LEU A 114 -0.873 4.154 -8.214 1.00 22.25 H new ATOM 0 HD23 LEU A 114 -2.040 5.238 -7.421 1.00 22.25 H new ATOM 1771 N ARG A 115 1.755 8.087 -4.707 1.00 34.21 N ATOM 1772 CA ARG A 115 1.495 9.481 -4.365 1.00 13.24 C ATOM 1773 C ARG A 115 0.538 10.136 -5.352 1.00 4.23 C ATOM 1774 O ARG A 115 0.762 10.113 -6.567 1.00 1.31 O ATOM 1775 CB ARG A 115 2.796 10.284 -4.275 1.00 73.34 C ATOM 1776 CG ARG A 115 2.577 11.748 -3.915 1.00 22.42 C ATOM 1777 CD ARG A 115 3.886 12.503 -3.791 1.00 22.40 C ATOM 1778 NE ARG A 115 3.665 13.933 -3.559 1.00 62.24 N ATOM 1779 CZ ARG A 115 4.637 14.841 -3.451 1.00 72.34 C ATOM 1780 NH1 ARG A 115 5.911 14.474 -3.524 1.00 63.10 N ATOM 1781 NH2 ARG A 115 4.327 16.117 -3.260 1.00 74.20 N ATOM 0 H ARG A 115 2.703 7.901 -5.033 1.00 34.21 H new ATOM 0 HA ARG A 115 1.020 9.482 -3.384 1.00 13.24 H new ATOM 0 HB2 ARG A 115 3.446 9.827 -3.529 1.00 73.34 H new ATOM 0 HB3 ARG A 115 3.317 10.226 -5.230 1.00 73.34 H new ATOM 0 HG2 ARG A 115 1.957 12.220 -4.677 1.00 22.42 H new ATOM 0 HG3 ARG A 115 2.030 11.812 -2.974 1.00 22.42 H new ATOM 0 HD2 ARG A 115 4.470 12.087 -2.970 1.00 22.40 H new ATOM 0 HD3 ARG A 115 4.472 12.368 -4.700 1.00 22.40 H new ATOM 0 HE ARG A 115 2.701 14.257 -3.474 1.00 62.24 H new ATOM 0 HH11 ARG A 115 6.152 13.493 -3.663 1.00 63.10 H new ATOM 0 HH12 ARG A 115 6.649 15.173 -3.441 1.00 63.10 H new ATOM 0 HH21 ARG A 115 3.349 16.400 -3.196 1.00 74.20 H new ATOM 0 HH22 ARG A 115 5.067 16.815 -3.177 1.00 74.20 H new ATOM 1795 N THR A 116 -0.521 10.715 -4.820 1.00 24.04 N ATOM 1796 CA THR A 116 -1.518 11.387 -5.619 1.00 43.21 C ATOM 1797 C THR A 116 -1.265 12.898 -5.611 1.00 72.23 C ATOM 1798 O THR A 116 -1.152 13.528 -6.665 1.00 3.03 O ATOM 1799 CB THR A 116 -2.932 11.113 -5.063 1.00 12.23 C ATOM 1800 OG1 THR A 116 -3.078 9.711 -4.788 1.00 73.03 O ATOM 1801 CG2 THR A 116 -3.999 11.542 -6.059 1.00 72.00 C ATOM 0 H THR A 116 -0.711 10.731 -3.818 1.00 24.04 H new ATOM 0 HA THR A 116 -1.451 11.006 -6.638 1.00 43.21 H new ATOM 0 HB THR A 116 -3.058 11.689 -4.146 1.00 12.23 H new ATOM 0 HG1 THR A 116 -3.975 9.539 -4.434 1.00 73.03 H new ATOM 0 HG21 THR A 116 -4.986 11.339 -5.644 1.00 72.00 H new ATOM 0 HG22 THR A 116 -3.902 12.609 -6.259 1.00 72.00 H new ATOM 0 HG23 THR A 116 -3.874 10.986 -6.988 1.00 72.00 H new ATOM 1809 N GLU A 117 -1.165 13.466 -4.414 1.00 1.35 N ATOM 1810 CA GLU A 117 -0.945 14.894 -4.257 1.00 11.21 C ATOM 1811 C GLU A 117 0.094 15.152 -3.168 1.00 44.25 C ATOM 1812 O GLU A 117 -0.287 15.261 -1.982 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.269 15.620 -3.930 1.00 21.15 C ATOM 1814 CG GLU A 117 -3.364 15.400 -4.969 1.00 42.44 C ATOM 1815 CD GLU A 117 -4.642 16.155 -4.668 1.00 35.31 C ATOM 1816 OE1 GLU A 117 -4.722 17.349 -5.010 1.00 51.43 O ATOM 1817 OE2 GLU A 117 -5.591 15.548 -4.113 1.00 33.05 O ATOM 1818 OXT GLU A 117 1.294 15.230 -3.501 1.00 0.00 O ATOM 0 H GLU A 117 -1.234 12.953 -3.535 1.00 1.35 H new ATOM 0 HA GLU A 117 -0.567 15.290 -5.199 1.00 11.21 H new ATOM 0 HB2 GLU A 117 -2.629 15.280 -2.959 1.00 21.15 H new ATOM 0 HB3 GLU A 117 -2.074 16.689 -3.841 1.00 21.15 H new ATOM 0 HG2 GLU A 117 -2.993 15.705 -5.947 1.00 42.44 H new ATOM 0 HG3 GLU A 117 -3.587 14.335 -5.031 1.00 42.44 H new