USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1066 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 95 LYS NZ :NH3+ 159:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 52:sc= 1.27 USER MOD Set 2.1: A 62 THR OG1 : rot 109:sc= 0.579 USER MOD Set 2.2: A 139 HIS : no HE2:sc= -0.17 X(o=0.41,f=0.11) USER MOD Set 3.1: A 18 THR OG1 : rot -152:sc= 1.02 USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 0.88 USER MOD Set 4.1: A 14 SER OG : rot -11:sc= 1.1 USER MOD Set 4.2: A 24 TYR OH : rot -130:sc= -0.871 USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.297 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 15 LYS NZ :NH3+ -135:sc= 1.09 (180deg=-1.23!) USER MOD Single : A 16 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.39) USER MOD Single : A 20 MET CE :methyl 152:sc= -1.15 (180deg=-3.59!) USER MOD Single : A 26 ASN : amide:sc= 0.685 K(o=0.68,f=-8.7!) USER MOD Single : A 27 SER OG : rot -32:sc= 0.194 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -30:sc= 0.00116 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00323 X(o=-0.0032,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 123:sc= 0.0129 USER MOD Single : A 58 MET CE :methyl 144:sc= -0.905 (180deg=-1.99) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.594 (180deg=0.522) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.01) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= -0.55 (180deg=-2.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 100 SER OG : rot 180:sc= -0.23 USER MOD Single : A 104 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.11) USER MOD Single : A 115 THR OG1 : rot 82:sc= 0.626 USER MOD Single : A 117 LYS NZ :NH3+ 134:sc= -0.801 (180deg=-3.06!) USER MOD Single : A 118 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.39) USER MOD Single : A 119 TYR OH : rot -155:sc= 0.318 USER MOD Single : A 120 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.15) USER MOD Single : A 122 TYR OH : rot -138:sc= 1.77 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 127 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0.02) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0.185 K(o=0.19,f=-0.4) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -2.94 K(o=-2.9,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.227 2.812 -8.796 1.00 34.45 N ATOM 140 CA THR A 10 -9.042 2.625 -10.240 1.00 34.53 C ATOM 141 C THR A 10 -7.564 2.259 -10.542 1.00 63.22 C ATOM 142 O THR A 10 -6.648 2.943 -10.066 1.00 2.31 O ATOM 143 CB THR A 10 -9.475 3.920 -11.010 1.00 42.41 C ATOM 144 OG1 THR A 10 -10.716 4.416 -10.466 1.00 13.53 O ATOM 145 CG2 THR A 10 -9.654 3.668 -12.520 1.00 32.33 C ATOM 0 HA THR A 10 -9.672 1.803 -10.581 1.00 34.53 H new ATOM 0 HB THR A 10 -8.679 4.654 -10.883 1.00 42.41 H new ATOM 0 HG1 THR A 10 -10.762 4.205 -9.510 1.00 13.53 H new ATOM 0 HG21 THR A 10 -9.954 4.594 -13.010 1.00 32.33 H new ATOM 0 HG22 THR A 10 -8.712 3.321 -12.945 1.00 32.33 H new ATOM 0 HG23 THR A 10 -10.422 2.910 -12.674 1.00 32.33 H new ATOM 153 N THR A 11 -7.376 1.190 -11.340 1.00 73.30 N ATOM 154 CA THR A 11 -6.110 0.433 -11.456 1.00 2.03 C ATOM 155 C THR A 11 -4.854 1.297 -11.730 1.00 3.12 C ATOM 156 O THR A 11 -3.802 1.033 -11.148 1.00 63.42 O ATOM 157 CB THR A 11 -6.238 -0.675 -12.551 1.00 43.51 C ATOM 158 OG1 THR A 11 -6.622 -0.077 -13.799 1.00 74.13 O ATOM 159 CG2 THR A 11 -7.273 -1.753 -12.169 1.00 43.35 C ATOM 0 H THR A 11 -8.116 0.819 -11.936 1.00 73.30 H new ATOM 0 HA THR A 11 -5.954 -0.011 -10.473 1.00 2.03 H new ATOM 0 HB THR A 11 -5.266 -1.159 -12.641 1.00 43.51 H new ATOM 0 HG1 THR A 11 -6.700 -0.773 -14.485 1.00 74.13 H new ATOM 0 HG21 THR A 11 -7.327 -2.501 -12.960 1.00 43.35 H new ATOM 0 HG22 THR A 11 -6.973 -2.231 -11.237 1.00 43.35 H new ATOM 0 HG23 THR A 11 -8.251 -1.289 -12.041 1.00 43.35 H new ATOM 167 N TYR A 12 -4.983 2.344 -12.580 1.00 60.04 N ATOM 168 CA TYR A 12 -3.833 3.189 -13.002 1.00 12.35 C ATOM 169 C TYR A 12 -3.112 3.826 -11.789 1.00 72.44 C ATOM 170 O TYR A 12 -1.883 3.978 -11.783 1.00 61.15 O ATOM 171 CB TYR A 12 -4.286 4.300 -13.998 1.00 32.33 C ATOM 172 CG TYR A 12 -5.162 5.428 -13.401 1.00 61.42 C ATOM 173 CD1 TYR A 12 -6.549 5.326 -13.373 1.00 15.50 C ATOM 174 CD2 TYR A 12 -4.589 6.595 -12.861 1.00 54.44 C ATOM 175 CE1 TYR A 12 -7.330 6.332 -12.838 1.00 72.33 C ATOM 176 CE2 TYR A 12 -5.372 7.597 -12.320 1.00 74.11 C ATOM 177 CZ TYR A 12 -6.738 7.460 -12.313 1.00 34.31 C ATOM 178 OH TYR A 12 -7.523 8.467 -11.793 1.00 64.11 O ATOM 0 H TYR A 12 -5.874 2.626 -12.989 1.00 60.04 H new ATOM 0 HA TYR A 12 -3.126 2.531 -13.508 1.00 12.35 H new ATOM 0 HB2 TYR A 12 -3.396 4.751 -14.437 1.00 32.33 H new ATOM 0 HB3 TYR A 12 -4.839 3.829 -14.811 1.00 32.33 H new ATOM 0 HD1 TYR A 12 -7.024 4.444 -13.777 1.00 15.50 H new ATOM 0 HD2 TYR A 12 -3.515 6.710 -12.870 1.00 54.44 H new ATOM 0 HE1 TYR A 12 -8.406 6.234 -12.831 1.00 72.33 H new ATOM 0 HE2 TYR A 12 -4.912 8.482 -11.905 1.00 74.11 H new ATOM 0 HH TYR A 12 -8.351 8.084 -11.434 1.00 64.11 H new ATOM 188 N ALA A 13 -3.912 4.173 -10.766 1.00 21.42 N ATOM 189 CA ALA A 13 -3.448 4.860 -9.557 1.00 10.23 C ATOM 190 C ALA A 13 -2.630 3.917 -8.663 1.00 55.01 C ATOM 191 O ALA A 13 -1.614 4.320 -8.080 1.00 51.11 O ATOM 192 CB ALA A 13 -4.664 5.412 -8.807 1.00 35.41 C ATOM 0 H ALA A 13 -4.913 3.979 -10.760 1.00 21.42 H new ATOM 0 HA ALA A 13 -2.790 5.682 -9.838 1.00 10.23 H new ATOM 0 HB1 ALA A 13 -4.332 5.926 -7.905 1.00 35.41 H new ATOM 0 HB2 ALA A 13 -5.199 6.113 -9.448 1.00 35.41 H new ATOM 0 HB3 ALA A 13 -5.327 4.591 -8.534 1.00 35.41 H new ATOM 198 N SER A 14 -3.082 2.649 -8.590 1.00 70.33 N ATOM 199 CA SER A 14 -2.438 1.613 -7.772 1.00 10.34 C ATOM 200 C SER A 14 -1.145 1.095 -8.436 1.00 42.21 C ATOM 201 O SER A 14 -0.229 0.639 -7.738 1.00 43.54 O ATOM 202 CB SER A 14 -3.435 0.463 -7.499 1.00 12.31 C ATOM 203 OG SER A 14 -3.886 -0.154 -8.688 1.00 40.23 O ATOM 0 H SER A 14 -3.903 2.319 -9.097 1.00 70.33 H new ATOM 0 HA SER A 14 -2.149 2.053 -6.818 1.00 10.34 H new ATOM 0 HB2 SER A 14 -2.959 -0.284 -6.864 1.00 12.31 H new ATOM 0 HB3 SER A 14 -4.291 0.851 -6.947 1.00 12.31 H new ATOM 0 HG SER A 14 -3.616 0.387 -9.460 1.00 40.23 H new ATOM 209 N LYS A 15 -1.074 1.192 -9.787 1.00 15.02 N ATOM 210 CA LYS A 15 0.143 0.852 -10.555 1.00 22.04 C ATOM 211 C LYS A 15 1.281 1.815 -10.204 1.00 32.22 C ATOM 212 O LYS A 15 2.394 1.394 -9.899 1.00 1.01 O ATOM 213 CB LYS A 15 -0.113 0.909 -12.092 1.00 33.20 C ATOM 214 CG LYS A 15 -1.222 -0.025 -12.595 1.00 14.30 C ATOM 215 CD LYS A 15 -0.993 -1.501 -12.205 1.00 71.11 C ATOM 216 CE LYS A 15 -2.169 -2.399 -12.597 1.00 52.31 C ATOM 217 NZ LYS A 15 -1.926 -3.809 -12.191 1.00 12.32 N ATOM 0 H LYS A 15 -1.852 1.505 -10.367 1.00 15.02 H new ATOM 0 HA LYS A 15 0.421 -0.167 -10.285 1.00 22.04 H new ATOM 0 HB2 LYS A 15 -0.368 1.933 -12.366 1.00 33.20 H new ATOM 0 HB3 LYS A 15 0.814 0.662 -12.610 1.00 33.20 H new ATOM 0 HG2 LYS A 15 -2.179 0.307 -12.192 1.00 14.30 H new ATOM 0 HG3 LYS A 15 -1.289 0.052 -13.680 1.00 14.30 H new ATOM 0 HD2 LYS A 15 -0.086 -1.865 -12.687 1.00 71.11 H new ATOM 0 HD3 LYS A 15 -0.831 -1.568 -11.129 1.00 71.11 H new ATOM 0 HE2 LYS A 15 -3.082 -2.034 -12.126 1.00 52.31 H new ATOM 0 HE3 LYS A 15 -2.325 -2.350 -13.675 1.00 52.31 H new ATOM 0 HZ1 LYS A 15 -2.185 -4.445 -12.972 1.00 12.32 H new ATOM 0 HZ2 LYS A 15 -0.920 -3.935 -11.960 1.00 12.32 H new ATOM 0 HZ3 LYS A 15 -2.504 -4.034 -11.356 1.00 12.32 H new ATOM 231 N GLN A 16 0.961 3.118 -10.249 1.00 22.53 N ATOM 232 CA GLN A 16 1.932 4.199 -10.014 1.00 32.03 C ATOM 233 C GLN A 16 2.368 4.266 -8.541 1.00 35.33 C ATOM 234 O GLN A 16 3.483 4.699 -8.242 1.00 24.11 O ATOM 235 CB GLN A 16 1.325 5.550 -10.466 1.00 61.10 C ATOM 236 CG GLN A 16 1.041 5.636 -11.980 1.00 23.13 C ATOM 237 CD GLN A 16 2.302 5.595 -12.859 1.00 33.10 C ATOM 238 OE1 GLN A 16 3.380 6.024 -12.453 1.00 22.42 O ATOM 239 NE2 GLN A 16 2.174 5.105 -14.078 1.00 40.24 N ATOM 0 H GLN A 16 0.019 3.453 -10.450 1.00 22.53 H new ATOM 0 HA GLN A 16 2.825 3.988 -10.603 1.00 32.03 H new ATOM 0 HB2 GLN A 16 0.395 5.719 -9.922 1.00 61.10 H new ATOM 0 HB3 GLN A 16 2.007 6.354 -10.189 1.00 61.10 H new ATOM 0 HG2 GLN A 16 0.387 4.812 -12.263 1.00 23.13 H new ATOM 0 HG3 GLN A 16 0.498 6.559 -12.185 1.00 23.13 H new ATOM 0 HE21 GLN A 16 1.270 4.754 -14.394 1.00 40.24 H new ATOM 0 HE22 GLN A 16 2.979 5.077 -14.704 1.00 40.24 H new ATOM 248 N ALA A 17 1.477 3.825 -7.636 1.00 71.45 N ATOM 249 CA ALA A 17 1.770 3.772 -6.199 1.00 32.35 C ATOM 250 C ALA A 17 2.831 2.703 -5.895 1.00 10.33 C ATOM 251 O ALA A 17 3.839 2.987 -5.240 1.00 13.32 O ATOM 252 CB ALA A 17 0.488 3.513 -5.406 1.00 24.24 C ATOM 0 H ALA A 17 0.542 3.499 -7.880 1.00 71.45 H new ATOM 0 HA ALA A 17 2.174 4.737 -5.893 1.00 32.35 H new ATOM 0 HB1 ALA A 17 0.720 3.476 -4.342 1.00 24.24 H new ATOM 0 HB2 ALA A 17 -0.225 4.316 -5.595 1.00 24.24 H new ATOM 0 HB3 ALA A 17 0.054 2.562 -5.716 1.00 24.24 H new ATOM 258 N THR A 18 2.599 1.480 -6.403 1.00 25.30 N ATOM 259 CA THR A 18 3.526 0.347 -6.222 1.00 20.10 C ATOM 260 C THR A 18 4.864 0.593 -6.946 1.00 41.41 C ATOM 261 O THR A 18 5.929 0.175 -6.469 1.00 23.21 O ATOM 262 CB THR A 18 2.888 -0.982 -6.723 1.00 63.54 C ATOM 263 OG1 THR A 18 2.420 -0.831 -8.075 1.00 34.40 O ATOM 264 CG2 THR A 18 1.728 -1.429 -5.835 1.00 14.13 C ATOM 0 H THR A 18 1.768 1.249 -6.948 1.00 25.30 H new ATOM 0 HA THR A 18 3.725 0.260 -5.154 1.00 20.10 H new ATOM 0 HB THR A 18 3.663 -1.747 -6.681 1.00 63.54 H new ATOM 0 HG1 THR A 18 1.672 -1.445 -8.233 1.00 34.40 H new ATOM 0 HG21 THR A 18 1.312 -2.360 -6.221 1.00 14.13 H new ATOM 0 HG22 THR A 18 2.088 -1.586 -4.818 1.00 14.13 H new ATOM 0 HG23 THR A 18 0.955 -0.660 -5.832 1.00 14.13 H new ATOM 272 N ASP A 19 4.775 1.293 -8.093 1.00 72.32 N ATOM 273 CA ASP A 19 5.943 1.718 -8.886 1.00 63.33 C ATOM 274 C ASP A 19 6.818 2.688 -8.079 1.00 2.41 C ATOM 275 O ASP A 19 8.051 2.591 -8.091 1.00 32.04 O ATOM 276 CB ASP A 19 5.488 2.382 -10.211 1.00 12.32 C ATOM 277 CG ASP A 19 6.662 2.812 -11.109 1.00 12.10 C ATOM 278 OD1 ASP A 19 7.206 1.963 -11.829 1.00 13.05 O ATOM 279 OD2 ASP A 19 7.043 4.001 -11.105 1.00 51.31 O ATOM 0 H ASP A 19 3.884 1.581 -8.498 1.00 72.32 H new ATOM 0 HA ASP A 19 6.534 0.834 -9.125 1.00 63.33 H new ATOM 0 HB2 ASP A 19 4.855 1.685 -10.760 1.00 12.32 H new ATOM 0 HB3 ASP A 19 4.876 3.254 -9.981 1.00 12.32 H new ATOM 284 N MET A 20 6.144 3.598 -7.353 1.00 23.45 N ATOM 285 CA MET A 20 6.793 4.612 -6.500 1.00 10.43 C ATOM 286 C MET A 20 7.545 3.938 -5.334 1.00 52.11 C ATOM 287 O MET A 20 8.553 4.456 -4.852 1.00 62.53 O ATOM 288 CB MET A 20 5.728 5.588 -5.927 1.00 21.42 C ATOM 289 CG MET A 20 6.286 6.937 -5.443 1.00 20.40 C ATOM 290 SD MET A 20 6.795 7.988 -6.818 1.00 4.45 S ATOM 291 CE MET A 20 5.274 8.049 -7.771 1.00 31.54 C ATOM 0 H MET A 20 5.125 3.651 -7.341 1.00 23.45 H new ATOM 0 HA MET A 20 7.506 5.166 -7.111 1.00 10.43 H new ATOM 0 HB2 MET A 20 4.977 5.775 -6.694 1.00 21.42 H new ATOM 0 HB3 MET A 20 5.219 5.101 -5.095 1.00 21.42 H new ATOM 0 HG2 MET A 20 5.528 7.453 -4.853 1.00 20.40 H new ATOM 0 HG3 MET A 20 7.137 6.763 -4.785 1.00 20.40 H new ATOM 0 HE1 MET A 20 5.232 8.984 -8.330 1.00 31.54 H new ATOM 0 HE2 MET A 20 5.246 7.209 -8.465 1.00 31.54 H new ATOM 0 HE3 MET A 20 4.420 7.991 -7.097 1.00 31.54 H new ATOM 301 N GLY A 21 7.014 2.781 -4.885 1.00 12.31 N ATOM 302 CA GLY A 21 7.589 2.005 -3.784 1.00 64.12 C ATOM 303 C GLY A 21 6.593 1.834 -2.651 1.00 34.13 C ATOM 304 O GLY A 21 6.871 2.206 -1.505 1.00 54.14 O ATOM 0 H GLY A 21 6.172 2.364 -5.282 1.00 12.31 H new ATOM 0 HA2 GLY A 21 7.899 1.026 -4.149 1.00 64.12 H new ATOM 0 HA3 GLY A 21 8.484 2.505 -3.412 1.00 64.12 H new ATOM 308 N ALA A 22 5.413 1.287 -2.996 1.00 43.42 N ATOM 309 CA ALA A 22 4.338 0.977 -2.038 1.00 61.21 C ATOM 310 C ALA A 22 4.029 -0.522 -2.094 1.00 0.33 C ATOM 311 O ALA A 22 4.023 -1.118 -3.177 1.00 4.42 O ATOM 312 CB ALA A 22 3.075 1.802 -2.337 1.00 72.34 C ATOM 0 H ALA A 22 5.177 1.046 -3.959 1.00 43.42 H new ATOM 0 HA ALA A 22 4.672 1.241 -1.034 1.00 61.21 H new ATOM 0 HB1 ALA A 22 2.298 1.553 -1.614 1.00 72.34 H new ATOM 0 HB2 ALA A 22 3.309 2.864 -2.266 1.00 72.34 H new ATOM 0 HB3 ALA A 22 2.722 1.575 -3.343 1.00 72.34 H new ATOM 318 N ILE A 23 3.766 -1.115 -0.923 1.00 24.54 N ATOM 319 CA ILE A 23 3.508 -2.558 -0.787 1.00 61.11 C ATOM 320 C ILE A 23 2.025 -2.869 -1.013 1.00 54.44 C ATOM 321 O ILE A 23 1.137 -2.103 -0.598 1.00 75.15 O ATOM 322 CB ILE A 23 3.933 -3.098 0.636 1.00 73.12 C ATOM 323 CG1 ILE A 23 3.169 -2.339 1.771 1.00 73.44 C ATOM 324 CG2 ILE A 23 5.461 -2.996 0.828 1.00 43.30 C ATOM 325 CD1 ILE A 23 3.534 -2.741 3.188 1.00 71.10 C ATOM 0 H ILE A 23 3.726 -0.608 -0.039 1.00 24.54 H new ATOM 0 HA ILE A 23 4.110 -3.058 -1.546 1.00 61.11 H new ATOM 0 HB ILE A 23 3.658 -4.151 0.696 1.00 73.12 H new ATOM 0 HG12 ILE A 23 3.353 -1.271 1.657 1.00 73.44 H new ATOM 0 HG13 ILE A 23 2.099 -2.495 1.632 1.00 73.44 H new ATOM 0 HG21 ILE A 23 5.730 -3.373 1.815 1.00 43.30 H new ATOM 0 HG22 ILE A 23 5.964 -3.588 0.064 1.00 43.30 H new ATOM 0 HG23 ILE A 23 5.770 -1.954 0.742 1.00 43.30 H new ATOM 0 HD11 ILE A 23 2.947 -2.155 3.895 1.00 71.10 H new ATOM 0 HD12 ILE A 23 3.322 -3.801 3.332 1.00 71.10 H new ATOM 0 HD13 ILE A 23 4.595 -2.557 3.357 1.00 71.10 H new ATOM 337 N TYR A 24 1.770 -4.005 -1.665 1.00 43.12 N ATOM 338 CA TYR A 24 0.428 -4.573 -1.786 1.00 20.52 C ATOM 339 C TYR A 24 0.297 -5.667 -0.734 1.00 73.54 C ATOM 340 O TYR A 24 1.061 -6.632 -0.741 1.00 13.42 O ATOM 341 CB TYR A 24 0.154 -5.139 -3.225 1.00 73.53 C ATOM 342 CG TYR A 24 -0.930 -4.370 -3.982 1.00 70.53 C ATOM 343 CD1 TYR A 24 -2.181 -4.147 -3.403 1.00 13.11 C ATOM 344 CD2 TYR A 24 -0.707 -3.856 -5.255 1.00 54.43 C ATOM 345 CE1 TYR A 24 -3.159 -3.442 -4.067 1.00 34.01 C ATOM 346 CE2 TYR A 24 -1.684 -3.151 -5.920 1.00 14.43 C ATOM 347 CZ TYR A 24 -2.901 -2.946 -5.326 1.00 4.12 C ATOM 348 OH TYR A 24 -3.867 -2.253 -6.000 1.00 44.14 O ATOM 0 H TYR A 24 2.492 -4.558 -2.126 1.00 43.12 H new ATOM 0 HA TYR A 24 -0.315 -3.792 -1.624 1.00 20.52 H new ATOM 0 HB2 TYR A 24 1.079 -5.111 -3.801 1.00 73.53 H new ATOM 0 HB3 TYR A 24 -0.141 -6.185 -3.146 1.00 73.53 H new ATOM 0 HD1 TYR A 24 -2.385 -4.535 -2.416 1.00 13.11 H new ATOM 0 HD2 TYR A 24 0.250 -4.013 -5.730 1.00 54.43 H new ATOM 0 HE1 TYR A 24 -4.121 -3.279 -3.605 1.00 34.01 H new ATOM 0 HE2 TYR A 24 -1.492 -2.760 -6.908 1.00 14.43 H new ATOM 0 HH TYR A 24 -3.960 -2.617 -6.905 1.00 44.14 H new ATOM 358 N VAL A 25 -0.656 -5.479 0.175 1.00 33.42 N ATOM 359 CA VAL A 25 -0.932 -6.401 1.277 1.00 64.35 C ATOM 360 C VAL A 25 -2.359 -6.944 1.161 1.00 44.34 C ATOM 361 O VAL A 25 -3.185 -6.375 0.456 1.00 71.53 O ATOM 362 CB VAL A 25 -0.731 -5.701 2.676 1.00 24.52 C ATOM 363 CG1 VAL A 25 0.724 -5.194 2.847 1.00 4.02 C ATOM 364 CG2 VAL A 25 -1.762 -4.566 2.906 1.00 31.45 C ATOM 0 H VAL A 25 -1.271 -4.666 0.167 1.00 33.42 H new ATOM 0 HA VAL A 25 -0.224 -7.227 1.210 1.00 64.35 H new ATOM 0 HB VAL A 25 -0.910 -6.453 3.444 1.00 24.52 H new ATOM 0 HG11 VAL A 25 0.831 -4.716 3.821 1.00 4.02 H new ATOM 0 HG12 VAL A 25 1.413 -6.036 2.778 1.00 4.02 H new ATOM 0 HG13 VAL A 25 0.953 -4.473 2.062 1.00 4.02 H new ATOM 0 HG21 VAL A 25 -1.589 -4.110 3.881 1.00 31.45 H new ATOM 0 HG22 VAL A 25 -1.652 -3.811 2.127 1.00 31.45 H new ATOM 0 HG23 VAL A 25 -2.771 -4.978 2.872 1.00 31.45 H new ATOM 374 N ASN A 26 -2.623 -8.052 1.841 1.00 72.14 N ATOM 375 CA ASN A 26 -3.975 -8.629 1.948 1.00 52.02 C ATOM 376 C ASN A 26 -4.668 -8.101 3.221 1.00 54.05 C ATOM 377 O ASN A 26 -4.146 -7.189 3.887 1.00 65.00 O ATOM 378 CB ASN A 26 -3.882 -10.180 1.937 1.00 2.10 C ATOM 379 CG ASN A 26 -3.072 -10.786 3.091 1.00 74.43 C ATOM 380 OD1 ASN A 26 -2.162 -10.167 3.647 1.00 50.30 O ATOM 381 ND2 ASN A 26 -3.390 -12.010 3.457 1.00 14.23 N ATOM 0 H ASN A 26 -1.910 -8.585 2.339 1.00 72.14 H new ATOM 0 HA ASN A 26 -4.580 -8.326 1.094 1.00 52.02 H new ATOM 0 HB2 ASN A 26 -4.891 -10.590 1.966 1.00 2.10 H new ATOM 0 HB3 ASN A 26 -3.436 -10.496 0.994 1.00 2.10 H new ATOM 0 HD21 ASN A 26 -2.880 -12.465 4.214 1.00 14.23 H new ATOM 0 HD22 ASN A 26 -4.146 -12.504 2.983 1.00 14.23 H new ATOM 388 N SER A 27 -5.837 -8.687 3.549 1.00 24.22 N ATOM 389 CA SER A 27 -6.627 -8.325 4.748 1.00 3.31 C ATOM 390 C SER A 27 -5.901 -8.731 6.051 1.00 42.33 C ATOM 391 O SER A 27 -6.315 -8.330 7.150 1.00 3.33 O ATOM 392 CB SER A 27 -8.047 -8.951 4.682 1.00 13.44 C ATOM 393 OG SER A 27 -8.893 -8.454 5.709 1.00 21.31 O ATOM 0 H SER A 27 -6.263 -9.426 2.990 1.00 24.22 H new ATOM 0 HA SER A 27 -6.733 -7.240 4.759 1.00 3.31 H new ATOM 0 HB2 SER A 27 -8.493 -8.739 3.710 1.00 13.44 H new ATOM 0 HB3 SER A 27 -7.970 -10.035 4.768 1.00 13.44 H new ATOM 0 HG SER A 27 -8.358 -8.252 6.505 1.00 21.31 H new ATOM 399 N LYS A 28 -4.829 -9.540 5.923 1.00 21.33 N ATOM 400 CA LYS A 28 -3.929 -9.848 7.045 1.00 14.53 C ATOM 401 C LYS A 28 -2.897 -8.727 7.194 1.00 54.43 C ATOM 402 O LYS A 28 -2.683 -8.218 8.283 1.00 60.31 O ATOM 403 CB LYS A 28 -3.235 -11.220 6.836 1.00 64.23 C ATOM 404 CG LYS A 28 -4.224 -12.393 6.654 1.00 31.24 C ATOM 405 CD LYS A 28 -5.190 -12.556 7.849 1.00 24.43 C ATOM 406 CE LYS A 28 -6.289 -13.591 7.581 1.00 20.01 C ATOM 407 NZ LYS A 28 -7.191 -13.736 8.754 1.00 71.23 N ATOM 0 H LYS A 28 -4.568 -9.992 5.047 1.00 21.33 H new ATOM 0 HA LYS A 28 -4.513 -9.914 7.963 1.00 14.53 H new ATOM 0 HB2 LYS A 28 -2.589 -11.161 5.960 1.00 64.23 H new ATOM 0 HB3 LYS A 28 -2.593 -11.427 7.692 1.00 64.23 H new ATOM 0 HG2 LYS A 28 -4.803 -12.235 5.744 1.00 31.24 H new ATOM 0 HG3 LYS A 28 -3.662 -13.317 6.518 1.00 31.24 H new ATOM 0 HD2 LYS A 28 -4.624 -12.853 8.732 1.00 24.43 H new ATOM 0 HD3 LYS A 28 -5.649 -11.594 8.074 1.00 24.43 H new ATOM 0 HE2 LYS A 28 -6.869 -13.291 6.708 1.00 20.01 H new ATOM 0 HE3 LYS A 28 -5.835 -14.554 7.347 1.00 20.01 H new ATOM 0 HZ1 LYS A 28 -7.924 -14.443 8.543 1.00 71.23 H new ATOM 0 HZ2 LYS A 28 -6.640 -14.045 9.580 1.00 71.23 H new ATOM 0 HZ3 LYS A 28 -7.641 -12.822 8.961 1.00 71.23 H new ATOM 421 N GLY A 29 -2.300 -8.303 6.074 1.00 11.14 N ATOM 422 CA GLY A 29 -1.273 -7.248 6.079 1.00 42.24 C ATOM 423 C GLY A 29 0.084 -7.753 5.637 1.00 54.50 C ATOM 424 O GLY A 29 1.090 -7.071 5.811 1.00 73.32 O ATOM 0 H GLY A 29 -2.510 -8.675 5.148 1.00 11.14 H new ATOM 0 HA2 GLY A 29 -1.587 -6.438 5.421 1.00 42.24 H new ATOM 0 HA3 GLY A 29 -1.192 -6.830 7.082 1.00 42.24 H new ATOM 428 N ASP A 30 0.096 -8.958 5.067 1.00 23.14 N ATOM 429 CA ASP A 30 1.291 -9.578 4.477 1.00 41.51 C ATOM 430 C ASP A 30 1.507 -9.030 3.055 1.00 3.55 C ATOM 431 O ASP A 30 0.547 -8.963 2.285 1.00 61.14 O ATOM 432 CB ASP A 30 1.097 -11.120 4.435 1.00 24.10 C ATOM 433 CG ASP A 30 2.254 -11.858 3.742 1.00 43.54 C ATOM 434 OD1 ASP A 30 3.241 -12.214 4.420 1.00 73.35 O ATOM 435 OD2 ASP A 30 2.189 -12.070 2.514 1.00 70.25 O ATOM 0 H ASP A 30 -0.736 -9.544 4.999 1.00 23.14 H new ATOM 0 HA ASP A 30 2.167 -9.343 5.081 1.00 41.51 H new ATOM 0 HB2 ASP A 30 0.994 -11.494 5.453 1.00 24.10 H new ATOM 0 HB3 ASP A 30 0.166 -11.348 3.916 1.00 24.10 H new ATOM 440 N ARG A 31 2.756 -8.644 2.714 1.00 12.11 N ATOM 441 CA ARG A 31 3.110 -8.173 1.353 1.00 63.35 C ATOM 442 C ARG A 31 2.950 -9.320 0.320 1.00 52.42 C ATOM 443 O ARG A 31 3.858 -10.124 0.091 1.00 70.43 O ATOM 444 CB ARG A 31 4.525 -7.477 1.304 1.00 72.45 C ATOM 445 CG ARG A 31 5.818 -8.335 1.478 1.00 13.05 C ATOM 446 CD ARG A 31 5.875 -9.209 2.760 1.00 61.40 C ATOM 447 NE ARG A 31 5.182 -10.506 2.587 1.00 71.13 N ATOM 448 CZ ARG A 31 5.746 -11.632 2.109 1.00 31.11 C ATOM 449 NH1 ARG A 31 7.031 -11.664 1.762 1.00 54.41 N ATOM 450 NH2 ARG A 31 5.007 -12.723 1.971 1.00 64.44 N ATOM 0 H ARG A 31 3.541 -8.649 3.365 1.00 12.11 H new ATOM 0 HA ARG A 31 2.405 -7.391 1.072 1.00 63.35 H new ATOM 0 HB2 ARG A 31 4.602 -6.964 0.346 1.00 72.45 H new ATOM 0 HB3 ARG A 31 4.537 -6.710 2.078 1.00 72.45 H new ATOM 0 HG2 ARG A 31 5.919 -8.987 0.610 1.00 13.05 H new ATOM 0 HG3 ARG A 31 6.679 -7.667 1.477 1.00 13.05 H new ATOM 0 HD2 ARG A 31 6.916 -9.389 3.029 1.00 61.40 H new ATOM 0 HD3 ARG A 31 5.421 -8.665 3.588 1.00 61.40 H new ATOM 0 HE ARG A 31 4.198 -10.550 2.851 1.00 71.13 H new ATOM 0 HH11 ARG A 31 7.606 -10.827 1.856 1.00 54.41 H new ATOM 0 HH12 ARG A 31 7.441 -12.526 1.402 1.00 54.41 H new ATOM 0 HH21 ARG A 31 4.020 -12.706 2.226 1.00 64.44 H new ATOM 0 HH22 ARG A 31 5.426 -13.580 1.610 1.00 64.44 H new ATOM 464 N ILE A 32 1.746 -9.394 -0.264 1.00 60.31 N ATOM 465 CA ILE A 32 1.331 -10.486 -1.169 1.00 33.23 C ATOM 466 C ILE A 32 2.224 -10.573 -2.426 1.00 20.44 C ATOM 467 O ILE A 32 2.512 -11.668 -2.924 1.00 45.32 O ATOM 468 CB ILE A 32 -0.182 -10.317 -1.595 1.00 62.53 C ATOM 469 CG1 ILE A 32 -0.405 -9.010 -2.427 1.00 43.41 C ATOM 470 CG2 ILE A 32 -1.091 -10.323 -0.352 1.00 31.24 C ATOM 471 CD1 ILE A 32 -1.808 -8.809 -2.967 1.00 50.42 C ATOM 0 H ILE A 32 1.021 -8.691 -0.122 1.00 60.31 H new ATOM 0 HA ILE A 32 1.447 -11.417 -0.614 1.00 33.23 H new ATOM 0 HB ILE A 32 -0.444 -11.162 -2.231 1.00 62.53 H new ATOM 0 HG12 ILE A 32 -0.149 -8.154 -1.802 1.00 43.41 H new ATOM 0 HG13 ILE A 32 0.291 -9.011 -3.266 1.00 43.41 H new ATOM 0 HG21 ILE A 32 -2.130 -10.206 -0.660 1.00 31.24 H new ATOM 0 HG22 ILE A 32 -0.975 -11.268 0.179 1.00 31.24 H new ATOM 0 HG23 ILE A 32 -0.813 -9.500 0.306 1.00 31.24 H new ATOM 0 HD11 ILE A 32 -1.852 -7.875 -3.527 1.00 50.42 H new ATOM 0 HD12 ILE A 32 -2.067 -9.639 -3.625 1.00 50.42 H new ATOM 0 HD13 ILE A 32 -2.515 -8.769 -2.138 1.00 50.42 H new ATOM 483 N VAL A 33 2.667 -9.405 -2.908 1.00 65.43 N ATOM 484 CA VAL A 33 3.490 -9.280 -4.115 1.00 4.15 C ATOM 485 C VAL A 33 4.398 -8.045 -3.993 1.00 60.21 C ATOM 486 O VAL A 33 4.072 -7.101 -3.250 1.00 44.32 O ATOM 487 CB VAL A 33 2.601 -9.208 -5.422 1.00 65.53 C ATOM 488 CG1 VAL A 33 1.719 -7.938 -5.468 1.00 2.42 C ATOM 489 CG2 VAL A 33 3.459 -9.358 -6.698 1.00 65.43 C ATOM 0 H VAL A 33 2.461 -8.510 -2.464 1.00 65.43 H new ATOM 0 HA VAL A 33 4.112 -10.171 -4.204 1.00 4.15 H new ATOM 0 HB VAL A 33 1.917 -10.056 -5.385 1.00 65.53 H new ATOM 0 HG11 VAL A 33 1.129 -7.938 -6.385 1.00 2.42 H new ATOM 0 HG12 VAL A 33 1.051 -7.928 -4.607 1.00 2.42 H new ATOM 0 HG13 VAL A 33 2.354 -7.053 -5.445 1.00 2.42 H new ATOM 0 HG21 VAL A 33 2.817 -9.304 -7.577 1.00 65.43 H new ATOM 0 HG22 VAL A 33 4.196 -8.556 -6.737 1.00 65.43 H new ATOM 0 HG23 VAL A 33 3.971 -10.320 -6.681 1.00 65.43 H new ATOM 499 N ASN A 34 5.555 -8.089 -4.684 1.00 21.41 N ATOM 500 CA ASN A 34 6.476 -6.943 -4.819 1.00 74.03 C ATOM 501 C ASN A 34 5.731 -5.671 -5.293 1.00 74.13 C ATOM 502 O ASN A 34 5.794 -4.613 -4.659 1.00 2.44 O ATOM 503 CB ASN A 34 7.594 -7.285 -5.843 1.00 21.05 C ATOM 504 CG ASN A 34 8.492 -6.089 -6.213 1.00 35.15 C ATOM 505 OD1 ASN A 34 8.890 -5.934 -7.376 1.00 0.53 O ATOM 506 ND2 ASN A 34 8.882 -5.282 -5.231 1.00 32.23 N ATOM 0 H ASN A 34 5.879 -8.927 -5.167 1.00 21.41 H new ATOM 0 HA ASN A 34 6.909 -6.747 -3.838 1.00 74.03 H new ATOM 0 HB2 ASN A 34 8.216 -8.081 -5.434 1.00 21.05 H new ATOM 0 HB3 ASN A 34 7.134 -7.675 -6.751 1.00 21.05 H new ATOM 0 HD21 ASN A 34 9.524 -4.514 -5.427 1.00 32.23 H new ATOM 0 HD22 ASN A 34 8.540 -5.431 -4.282 1.00 32.23 H new ATOM 513 N GLU A 35 5.009 -5.834 -6.409 1.00 64.25 N ATOM 514 CA GLU A 35 4.418 -4.730 -7.175 1.00 2.24 C ATOM 515 C GLU A 35 3.243 -5.265 -8.018 1.00 50.43 C ATOM 516 O GLU A 35 3.216 -6.453 -8.366 1.00 74.44 O ATOM 517 CB GLU A 35 5.523 -4.104 -8.092 1.00 32.41 C ATOM 518 CG GLU A 35 5.075 -2.893 -8.930 1.00 21.32 C ATOM 519 CD GLU A 35 6.165 -2.337 -9.864 1.00 43.50 C ATOM 520 OE1 GLU A 35 6.276 -2.804 -11.017 1.00 40.10 O ATOM 521 OE2 GLU A 35 6.924 -1.447 -9.443 1.00 45.52 O ATOM 0 H GLU A 35 4.816 -6.751 -6.811 1.00 64.25 H new ATOM 0 HA GLU A 35 4.037 -3.960 -6.503 1.00 2.24 H new ATOM 0 HB2 GLU A 35 6.362 -3.801 -7.466 1.00 32.41 H new ATOM 0 HB3 GLU A 35 5.891 -4.876 -8.768 1.00 32.41 H new ATOM 0 HG2 GLU A 35 4.210 -3.179 -9.529 1.00 21.32 H new ATOM 0 HG3 GLU A 35 4.749 -2.100 -8.257 1.00 21.32 H new ATOM 528 N SER A 36 2.292 -4.383 -8.375 1.00 22.23 N ATOM 529 CA SER A 36 1.186 -4.710 -9.300 1.00 11.14 C ATOM 530 C SER A 36 1.634 -4.528 -10.772 1.00 74.43 C ATOM 531 O SER A 36 0.864 -4.038 -11.603 1.00 41.54 O ATOM 532 CB SER A 36 -0.041 -3.818 -8.974 1.00 32.13 C ATOM 533 OG SER A 36 0.302 -2.439 -8.962 1.00 51.42 O ATOM 0 H SER A 36 2.267 -3.423 -8.032 1.00 22.23 H new ATOM 0 HA SER A 36 0.904 -5.755 -9.169 1.00 11.14 H new ATOM 0 HB2 SER A 36 -0.824 -3.992 -9.712 1.00 32.13 H new ATOM 0 HB3 SER A 36 -0.449 -4.100 -8.003 1.00 32.13 H new ATOM 0 HG SER A 36 -0.494 -1.906 -8.755 1.00 51.42 H new ATOM 539 N ASN A 37 2.875 -4.975 -11.075 1.00 32.53 N ATOM 540 CA ASN A 37 3.514 -4.857 -12.406 1.00 22.22 C ATOM 541 C ASN A 37 2.592 -5.431 -13.494 1.00 4.32 C ATOM 542 O ASN A 37 2.343 -4.789 -14.526 1.00 53.14 O ATOM 543 CB ASN A 37 4.891 -5.586 -12.369 1.00 5.01 C ATOM 544 CG ASN A 37 5.758 -5.402 -13.629 1.00 12.01 C ATOM 545 OD1 ASN A 37 5.271 -5.356 -14.758 1.00 73.34 O ATOM 546 ND2 ASN A 37 7.061 -5.278 -13.441 1.00 1.00 N ATOM 0 H ASN A 37 3.471 -5.436 -10.388 1.00 32.53 H new ATOM 0 HA ASN A 37 3.682 -3.808 -12.650 1.00 22.22 H new ATOM 0 HB2 ASN A 37 5.451 -5.229 -11.505 1.00 5.01 H new ATOM 0 HB3 ASN A 37 4.717 -6.651 -12.218 1.00 5.01 H new ATOM 0 HD21 ASN A 37 7.681 -5.142 -14.240 1.00 1.00 H new ATOM 0 HD22 ASN A 37 7.446 -5.319 -12.497 1.00 1.00 H new ATOM 553 N VAL A 38 2.055 -6.620 -13.217 1.00 4.02 N ATOM 554 CA VAL A 38 1.031 -7.265 -14.046 1.00 73.21 C ATOM 555 C VAL A 38 -0.109 -7.759 -13.135 1.00 42.01 C ATOM 556 O VAL A 38 0.136 -8.157 -11.983 1.00 22.52 O ATOM 557 CB VAL A 38 1.637 -8.442 -14.903 1.00 61.13 C ATOM 558 CG1 VAL A 38 2.188 -9.582 -14.020 1.00 72.32 C ATOM 559 CG2 VAL A 38 0.623 -8.957 -15.956 1.00 52.34 C ATOM 0 H VAL A 38 2.321 -7.171 -12.401 1.00 4.02 H new ATOM 0 HA VAL A 38 0.635 -6.539 -14.756 1.00 73.21 H new ATOM 0 HB VAL A 38 2.489 -8.036 -15.448 1.00 61.13 H new ATOM 0 HG11 VAL A 38 2.595 -10.370 -14.654 1.00 72.32 H new ATOM 0 HG12 VAL A 38 2.975 -9.194 -13.374 1.00 72.32 H new ATOM 0 HG13 VAL A 38 1.384 -9.989 -13.407 1.00 72.32 H new ATOM 0 HG21 VAL A 38 1.073 -9.768 -16.529 1.00 52.34 H new ATOM 0 HG22 VAL A 38 -0.271 -9.322 -15.451 1.00 52.34 H new ATOM 0 HG23 VAL A 38 0.353 -8.143 -16.629 1.00 52.34 H new ATOM 569 N TYR A 39 -1.353 -7.708 -13.649 1.00 1.33 N ATOM 570 CA TYR A 39 -2.561 -8.173 -12.926 1.00 44.43 C ATOM 571 C TYR A 39 -2.458 -9.660 -12.533 1.00 72.12 C ATOM 572 O TYR A 39 -3.111 -10.104 -11.593 1.00 52.40 O ATOM 573 CB TYR A 39 -3.830 -7.950 -13.795 1.00 12.34 C ATOM 574 CG TYR A 39 -3.884 -8.792 -15.094 1.00 3.02 C ATOM 575 CD1 TYR A 39 -3.333 -8.319 -16.290 1.00 11.13 C ATOM 576 CD2 TYR A 39 -4.483 -10.065 -15.119 1.00 54.31 C ATOM 577 CE1 TYR A 39 -3.378 -9.077 -17.448 1.00 62.13 C ATOM 578 CE2 TYR A 39 -4.527 -10.815 -16.275 1.00 53.50 C ATOM 579 CZ TYR A 39 -3.976 -10.321 -17.433 1.00 12.52 C ATOM 580 OH TYR A 39 -4.027 -11.072 -18.588 1.00 52.11 O ATOM 0 H TYR A 39 -1.553 -7.343 -14.580 1.00 1.33 H new ATOM 0 HA TYR A 39 -2.636 -7.586 -12.010 1.00 44.43 H new ATOM 0 HB2 TYR A 39 -4.710 -8.179 -13.194 1.00 12.34 H new ATOM 0 HB3 TYR A 39 -3.891 -6.894 -14.060 1.00 12.34 H new ATOM 0 HD1 TYR A 39 -2.865 -7.346 -16.310 1.00 11.13 H new ATOM 0 HD2 TYR A 39 -4.917 -10.463 -14.214 1.00 54.31 H new ATOM 0 HE1 TYR A 39 -2.946 -8.696 -18.361 1.00 62.13 H new ATOM 0 HE2 TYR A 39 -4.994 -11.789 -16.271 1.00 53.50 H new ATOM 0 HH TYR A 39 -4.480 -11.922 -18.406 1.00 52.11 H new ATOM 590 N THR A 40 -1.655 -10.409 -13.311 1.00 1.41 N ATOM 591 CA THR A 40 -1.483 -11.852 -13.164 1.00 10.24 C ATOM 592 C THR A 40 -0.840 -12.197 -11.803 1.00 61.30 C ATOM 593 O THR A 40 -1.404 -12.974 -11.029 1.00 34.34 O ATOM 594 CB THR A 40 -0.613 -12.404 -14.343 1.00 2.43 C ATOM 595 OG1 THR A 40 -1.064 -11.825 -15.583 1.00 32.20 O ATOM 596 CG2 THR A 40 -0.691 -13.934 -14.439 1.00 14.41 C ATOM 0 H THR A 40 -1.101 -10.014 -14.071 1.00 1.41 H new ATOM 0 HA THR A 40 -2.464 -12.325 -13.196 1.00 10.24 H new ATOM 0 HB THR A 40 0.425 -12.130 -14.151 1.00 2.43 H new ATOM 0 HG1 THR A 40 -2.022 -11.628 -15.523 1.00 32.20 H new ATOM 0 HG21 THR A 40 -0.074 -14.278 -15.269 1.00 14.41 H new ATOM 0 HG22 THR A 40 -0.329 -14.376 -13.510 1.00 14.41 H new ATOM 0 HG23 THR A 40 -1.725 -14.236 -14.606 1.00 14.41 H new ATOM 604 N THR A 41 0.312 -11.554 -11.505 1.00 31.14 N ATOM 605 CA THR A 41 1.059 -11.783 -10.249 1.00 51.35 C ATOM 606 C THR A 41 0.291 -11.210 -9.042 1.00 3.41 C ATOM 607 O THR A 41 0.434 -11.703 -7.923 1.00 44.12 O ATOM 608 CB THR A 41 2.515 -11.190 -10.305 1.00 22.23 C ATOM 609 OG1 THR A 41 3.280 -11.626 -9.165 1.00 14.12 O ATOM 610 CG2 THR A 41 2.539 -9.647 -10.367 1.00 4.24 C ATOM 0 H THR A 41 0.746 -10.868 -12.123 1.00 31.14 H new ATOM 0 HA THR A 41 1.152 -12.862 -10.128 1.00 51.35 H new ATOM 0 HB THR A 41 2.959 -11.564 -11.227 1.00 22.23 H new ATOM 0 HG1 THR A 41 4.184 -11.250 -9.215 1.00 14.12 H new ATOM 0 HG21 THR A 41 3.572 -9.300 -10.404 1.00 4.24 H new ATOM 0 HG22 THR A 41 2.011 -9.310 -11.259 1.00 4.24 H new ATOM 0 HG23 THR A 41 2.051 -9.240 -9.482 1.00 4.24 H new ATOM 618 N PHE A 42 -0.519 -10.166 -9.309 1.00 31.40 N ATOM 619 CA PHE A 42 -1.421 -9.548 -8.326 1.00 54.01 C ATOM 620 C PHE A 42 -2.518 -10.544 -7.907 1.00 34.32 C ATOM 621 O PHE A 42 -2.771 -10.738 -6.712 1.00 12.24 O ATOM 622 CB PHE A 42 -2.048 -8.267 -8.952 1.00 52.25 C ATOM 623 CG PHE A 42 -3.135 -7.585 -8.114 1.00 23.41 C ATOM 624 CD1 PHE A 42 -2.807 -6.879 -6.962 1.00 34.33 C ATOM 625 CD2 PHE A 42 -4.487 -7.641 -8.489 1.00 75.40 C ATOM 626 CE1 PHE A 42 -3.785 -6.254 -6.214 1.00 64.03 C ATOM 627 CE2 PHE A 42 -5.461 -7.012 -7.734 1.00 11.21 C ATOM 628 CZ PHE A 42 -5.110 -6.318 -6.597 1.00 23.34 C ATOM 0 H PHE A 42 -0.563 -9.725 -10.228 1.00 31.40 H new ATOM 0 HA PHE A 42 -0.860 -9.274 -7.433 1.00 54.01 H new ATOM 0 HB2 PHE A 42 -1.251 -7.547 -9.136 1.00 52.25 H new ATOM 0 HB3 PHE A 42 -2.472 -8.528 -9.922 1.00 52.25 H new ATOM 0 HD1 PHE A 42 -1.775 -6.819 -6.649 1.00 34.33 H new ATOM 0 HD2 PHE A 42 -4.771 -8.183 -9.379 1.00 75.40 H new ATOM 0 HE1 PHE A 42 -3.511 -5.710 -5.322 1.00 64.03 H new ATOM 0 HE2 PHE A 42 -6.497 -7.065 -8.036 1.00 11.21 H new ATOM 0 HZ PHE A 42 -5.869 -5.826 -6.007 1.00 23.34 H new ATOM 638 N ARG A 43 -3.137 -11.194 -8.916 1.00 1.53 N ATOM 639 CA ARG A 43 -4.272 -12.104 -8.712 1.00 21.54 C ATOM 640 C ARG A 43 -3.823 -13.376 -7.986 1.00 51.54 C ATOM 641 O ARG A 43 -4.430 -13.767 -6.990 1.00 64.32 O ATOM 642 CB ARG A 43 -4.946 -12.477 -10.063 1.00 52.42 C ATOM 643 CG ARG A 43 -6.156 -13.434 -9.916 1.00 54.22 C ATOM 644 CD ARG A 43 -6.751 -13.863 -11.260 1.00 43.51 C ATOM 645 NE ARG A 43 -7.298 -12.727 -12.033 1.00 24.35 N ATOM 646 CZ ARG A 43 -7.214 -12.593 -13.371 1.00 32.25 C ATOM 647 NH1 ARG A 43 -6.601 -13.515 -14.111 1.00 2.23 N ATOM 648 NH2 ARG A 43 -7.771 -11.545 -13.967 1.00 72.54 N ATOM 0 H ARG A 43 -2.860 -11.099 -9.893 1.00 1.53 H new ATOM 0 HA ARG A 43 -5.004 -11.583 -8.095 1.00 21.54 H new ATOM 0 HB2 ARG A 43 -5.275 -11.564 -10.558 1.00 52.42 H new ATOM 0 HB3 ARG A 43 -4.204 -12.942 -10.712 1.00 52.42 H new ATOM 0 HG2 ARG A 43 -5.845 -14.321 -9.364 1.00 54.22 H new ATOM 0 HG3 ARG A 43 -6.929 -12.944 -9.323 1.00 54.22 H new ATOM 0 HD2 ARG A 43 -5.982 -14.361 -11.850 1.00 43.51 H new ATOM 0 HD3 ARG A 43 -7.542 -14.593 -11.086 1.00 43.51 H new ATOM 0 HE ARG A 43 -7.775 -11.989 -11.514 1.00 24.35 H new ATOM 0 HH11 ARG A 43 -6.188 -14.335 -13.666 1.00 2.23 H new ATOM 0 HH12 ARG A 43 -6.544 -13.402 -15.123 1.00 2.23 H new ATOM 0 HH21 ARG A 43 -8.261 -10.844 -13.412 1.00 72.54 H new ATOM 0 HH22 ARG A 43 -7.709 -11.442 -14.980 1.00 72.54 H new ATOM 662 N ASN A 44 -2.739 -13.994 -8.497 1.00 71.51 N ATOM 663 CA ASN A 44 -2.187 -15.256 -7.958 1.00 64.40 C ATOM 664 C ASN A 44 -1.751 -15.087 -6.492 1.00 54.44 C ATOM 665 O ASN A 44 -1.927 -15.999 -5.670 1.00 5.13 O ATOM 666 CB ASN A 44 -0.993 -15.738 -8.832 1.00 52.43 C ATOM 667 CG ASN A 44 -1.398 -16.052 -10.280 1.00 15.43 C ATOM 668 OD1 ASN A 44 -2.524 -16.478 -10.555 1.00 23.20 O ATOM 669 ND2 ASN A 44 -0.491 -15.836 -11.213 1.00 44.44 N ATOM 0 H ASN A 44 -2.220 -13.632 -9.297 1.00 71.51 H new ATOM 0 HA ASN A 44 -2.971 -16.012 -7.989 1.00 64.40 H new ATOM 0 HB2 ASN A 44 -0.219 -14.970 -8.835 1.00 52.43 H new ATOM 0 HB3 ASN A 44 -0.556 -16.629 -8.381 1.00 52.43 H new ATOM 0 HD21 ASN A 44 -0.712 -16.021 -12.191 1.00 44.44 H new ATOM 0 HD22 ASN A 44 0.431 -15.484 -10.956 1.00 44.44 H new ATOM 676 N ALA A 45 -1.220 -13.891 -6.182 1.00 63.23 N ATOM 677 CA ALA A 45 -0.813 -13.509 -4.823 1.00 35.00 C ATOM 678 C ALA A 45 -2.010 -13.524 -3.846 1.00 14.20 C ATOM 679 O ALA A 45 -1.894 -14.036 -2.735 1.00 33.35 O ATOM 680 CB ALA A 45 -0.161 -12.125 -4.849 1.00 51.41 C ATOM 0 H ALA A 45 -1.061 -13.159 -6.874 1.00 63.23 H new ATOM 0 HA ALA A 45 -0.090 -14.242 -4.465 1.00 35.00 H new ATOM 0 HB1 ALA A 45 0.139 -11.845 -3.839 1.00 51.41 H new ATOM 0 HB2 ALA A 45 0.716 -12.148 -5.495 1.00 51.41 H new ATOM 0 HB3 ALA A 45 -0.874 -11.394 -5.231 1.00 51.41 H new ATOM 686 N ILE A 46 -3.152 -12.975 -4.306 1.00 34.34 N ATOM 687 CA ILE A 46 -4.411 -12.884 -3.526 1.00 62.23 C ATOM 688 C ILE A 46 -5.079 -14.270 -3.364 1.00 4.14 C ATOM 689 O ILE A 46 -5.610 -14.594 -2.296 1.00 3.44 O ATOM 690 CB ILE A 46 -5.403 -11.873 -4.217 1.00 30.40 C ATOM 691 CG1 ILE A 46 -4.794 -10.441 -4.206 1.00 23.33 C ATOM 692 CG2 ILE A 46 -6.805 -11.881 -3.562 1.00 22.42 C ATOM 693 CD1 ILE A 46 -5.637 -9.389 -4.888 1.00 74.40 C ATOM 0 H ILE A 46 -3.231 -12.576 -5.241 1.00 34.34 H new ATOM 0 HA ILE A 46 -4.164 -12.518 -2.529 1.00 62.23 H new ATOM 0 HB ILE A 46 -5.539 -12.198 -5.249 1.00 30.40 H new ATOM 0 HG12 ILE A 46 -4.629 -10.140 -3.172 1.00 23.33 H new ATOM 0 HG13 ILE A 46 -3.817 -10.473 -4.689 1.00 23.33 H new ATOM 0 HG21 ILE A 46 -7.450 -11.168 -4.075 1.00 22.42 H new ATOM 0 HG22 ILE A 46 -7.236 -12.879 -3.637 1.00 22.42 H new ATOM 0 HG23 ILE A 46 -6.718 -11.602 -2.512 1.00 22.42 H new ATOM 0 HD11 ILE A 46 -5.132 -8.425 -4.830 1.00 74.40 H new ATOM 0 HD12 ILE A 46 -5.782 -9.660 -5.934 1.00 74.40 H new ATOM 0 HD13 ILE A 46 -6.606 -9.322 -4.393 1.00 74.40 H new ATOM 705 N LEU A 47 -5.026 -15.083 -4.436 1.00 35.11 N ATOM 706 CA LEU A 47 -5.590 -16.453 -4.437 1.00 60.41 C ATOM 707 C LEU A 47 -4.799 -17.371 -3.493 1.00 24.20 C ATOM 708 O LEU A 47 -5.338 -18.339 -2.945 1.00 0.04 O ATOM 709 CB LEU A 47 -5.618 -17.033 -5.875 1.00 4.34 C ATOM 710 CG LEU A 47 -6.525 -16.271 -6.893 1.00 44.44 C ATOM 711 CD1 LEU A 47 -6.447 -16.911 -8.290 1.00 41.43 C ATOM 712 CD2 LEU A 47 -7.987 -16.177 -6.389 1.00 3.11 C ATOM 0 H LEU A 47 -4.595 -14.815 -5.321 1.00 35.11 H new ATOM 0 HA LEU A 47 -6.616 -16.398 -4.072 1.00 60.41 H new ATOM 0 HB2 LEU A 47 -4.599 -17.046 -6.262 1.00 4.34 H new ATOM 0 HB3 LEU A 47 -5.952 -18.069 -5.823 1.00 4.34 H new ATOM 0 HG LEU A 47 -6.148 -15.252 -6.977 1.00 44.44 H new ATOM 0 HD11 LEU A 47 -7.088 -16.361 -8.979 1.00 41.43 H new ATOM 0 HD12 LEU A 47 -5.418 -16.879 -8.648 1.00 41.43 H new ATOM 0 HD13 LEU A 47 -6.780 -17.947 -8.234 1.00 41.43 H new ATOM 0 HD21 LEU A 47 -8.591 -15.641 -7.121 1.00 3.11 H new ATOM 0 HD22 LEU A 47 -8.390 -17.181 -6.252 1.00 3.11 H new ATOM 0 HD23 LEU A 47 -8.011 -15.643 -5.439 1.00 3.11 H new ATOM 724 N LYS A 48 -3.517 -17.024 -3.312 1.00 23.12 N ATOM 725 CA LYS A 48 -2.588 -17.711 -2.403 1.00 35.34 C ATOM 726 C LYS A 48 -2.886 -17.367 -0.920 1.00 45.15 C ATOM 727 O LYS A 48 -2.465 -18.093 -0.014 1.00 41.50 O ATOM 728 CB LYS A 48 -1.143 -17.313 -2.804 1.00 1.41 C ATOM 729 CG LYS A 48 -0.002 -18.119 -2.144 1.00 41.35 C ATOM 730 CD LYS A 48 1.378 -17.759 -2.743 1.00 15.44 C ATOM 731 CE LYS A 48 1.757 -16.274 -2.557 1.00 74.45 C ATOM 732 NZ LYS A 48 1.957 -15.925 -1.125 1.00 1.14 N ATOM 0 H LYS A 48 -3.087 -16.241 -3.804 1.00 23.12 H new ATOM 0 HA LYS A 48 -2.711 -18.790 -2.493 1.00 35.34 H new ATOM 0 HB2 LYS A 48 -1.049 -17.410 -3.886 1.00 1.41 H new ATOM 0 HB3 LYS A 48 -1.000 -16.259 -2.565 1.00 1.41 H new ATOM 0 HG2 LYS A 48 0.006 -17.926 -1.071 1.00 41.35 H new ATOM 0 HG3 LYS A 48 -0.188 -19.185 -2.274 1.00 41.35 H new ATOM 0 HD2 LYS A 48 2.142 -18.382 -2.278 1.00 15.44 H new ATOM 0 HD3 LYS A 48 1.377 -17.996 -3.807 1.00 15.44 H new ATOM 0 HE2 LYS A 48 2.670 -16.060 -3.113 1.00 74.45 H new ATOM 0 HE3 LYS A 48 0.973 -15.644 -2.978 1.00 74.45 H new ATOM 0 HZ1 LYS A 48 2.210 -14.919 -1.045 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 1.078 -16.104 -0.598 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 2.723 -16.507 -0.729 1.00 1.14 H new ATOM 785 N LYS A 52 -9.531 -12.769 0.124 1.00 62.42 N ATOM 786 CA LYS A 52 -9.579 -12.490 -1.323 1.00 41.32 C ATOM 787 C LYS A 52 -9.784 -10.979 -1.593 1.00 60.05 C ATOM 788 O LYS A 52 -10.653 -10.585 -2.387 1.00 75.54 O ATOM 789 CB LYS A 52 -10.687 -13.365 -2.008 1.00 43.21 C ATOM 790 CG LYS A 52 -10.438 -14.892 -1.945 1.00 21.11 C ATOM 791 CD LYS A 52 -9.149 -15.321 -2.698 1.00 13.31 C ATOM 792 CE LYS A 52 -8.770 -16.790 -2.439 1.00 44.34 C ATOM 793 NZ LYS A 52 -9.813 -17.737 -2.910 1.00 41.33 N ATOM 0 HA LYS A 52 -8.620 -12.762 -1.764 1.00 41.32 H new ATOM 0 HB2 LYS A 52 -11.645 -13.147 -1.537 1.00 43.21 H new ATOM 0 HB3 LYS A 52 -10.771 -13.067 -3.053 1.00 43.21 H new ATOM 0 HG2 LYS A 52 -10.365 -15.201 -0.902 1.00 21.11 H new ATOM 0 HG3 LYS A 52 -11.294 -15.414 -2.373 1.00 21.11 H new ATOM 0 HD2 LYS A 52 -9.291 -15.170 -3.768 1.00 13.31 H new ATOM 0 HD3 LYS A 52 -8.324 -14.678 -2.392 1.00 13.31 H new ATOM 0 HE2 LYS A 52 -7.828 -17.013 -2.940 1.00 44.34 H new ATOM 0 HE3 LYS A 52 -8.606 -16.937 -1.372 1.00 44.34 H new ATOM 0 HZ1 LYS A 52 -9.511 -18.712 -2.713 1.00 41.33 H new ATOM 0 HZ2 LYS A 52 -10.706 -17.544 -2.414 1.00 41.33 H new ATOM 0 HZ3 LYS A 52 -9.953 -17.618 -3.934 1.00 41.33 H new ATOM 807 N VAL A 53 -8.945 -10.139 -0.950 1.00 1.15 N ATOM 808 CA VAL A 53 -8.930 -8.674 -1.174 1.00 72.24 C ATOM 809 C VAL A 53 -7.535 -8.111 -0.823 1.00 31.45 C ATOM 810 O VAL A 53 -6.905 -8.564 0.138 1.00 0.24 O ATOM 811 CB VAL A 53 -10.066 -7.940 -0.350 1.00 42.24 C ATOM 812 CG1 VAL A 53 -9.912 -8.146 1.173 1.00 52.05 C ATOM 813 CG2 VAL A 53 -10.164 -6.439 -0.716 1.00 63.13 C ATOM 0 H VAL A 53 -8.260 -10.454 -0.263 1.00 1.15 H new ATOM 0 HA VAL A 53 -9.136 -8.486 -2.228 1.00 72.24 H new ATOM 0 HB VAL A 53 -11.009 -8.406 -0.637 1.00 42.24 H new ATOM 0 HG11 VAL A 53 -10.714 -7.624 1.694 1.00 52.05 H new ATOM 0 HG12 VAL A 53 -9.963 -9.210 1.403 1.00 52.05 H new ATOM 0 HG13 VAL A 53 -8.950 -7.750 1.498 1.00 52.05 H new ATOM 0 HG21 VAL A 53 -10.955 -5.972 -0.129 1.00 63.13 H new ATOM 0 HG22 VAL A 53 -9.215 -5.949 -0.500 1.00 63.13 H new ATOM 0 HG23 VAL A 53 -10.392 -6.337 -1.777 1.00 63.13 H new ATOM 823 N ALA A 54 -7.051 -7.130 -1.610 1.00 13.21 N ATOM 824 CA ALA A 54 -5.708 -6.554 -1.426 1.00 22.34 C ATOM 825 C ALA A 54 -5.781 -5.053 -1.126 1.00 14.34 C ATOM 826 O ALA A 54 -6.205 -4.259 -1.970 1.00 5.12 O ATOM 827 CB ALA A 54 -4.842 -6.794 -2.666 1.00 23.02 C ATOM 0 H ALA A 54 -7.575 -6.719 -2.383 1.00 13.21 H new ATOM 0 HA ALA A 54 -5.252 -7.053 -0.571 1.00 22.34 H new ATOM 0 HB1 ALA A 54 -3.854 -6.361 -2.509 1.00 23.02 H new ATOM 0 HB2 ALA A 54 -4.745 -7.866 -2.840 1.00 23.02 H new ATOM 0 HB3 ALA A 54 -5.310 -6.327 -3.533 1.00 23.02 H new ATOM 833 N TYR A 55 -5.344 -4.678 0.072 1.00 24.41 N ATOM 834 CA TYR A 55 -5.142 -3.283 0.445 1.00 45.23 C ATOM 835 C TYR A 55 -3.781 -2.813 -0.089 1.00 14.21 C ATOM 836 O TYR A 55 -2.880 -3.622 -0.327 1.00 55.40 O ATOM 837 CB TYR A 55 -5.187 -3.128 1.979 1.00 70.45 C ATOM 838 CG TYR A 55 -6.528 -3.503 2.629 1.00 62.43 C ATOM 839 CD1 TYR A 55 -6.797 -4.815 3.030 1.00 33.13 C ATOM 840 CD2 TYR A 55 -7.505 -2.534 2.880 1.00 15.44 C ATOM 841 CE1 TYR A 55 -7.986 -5.145 3.650 1.00 22.21 C ATOM 842 CE2 TYR A 55 -8.689 -2.863 3.511 1.00 25.11 C ATOM 843 CZ TYR A 55 -8.925 -4.169 3.891 1.00 4.20 C ATOM 844 OH TYR A 55 -10.095 -4.500 4.537 1.00 35.11 O ATOM 0 H TYR A 55 -5.119 -5.338 0.816 1.00 24.41 H new ATOM 0 HA TYR A 55 -5.936 -2.675 0.013 1.00 45.23 H new ATOM 0 HB2 TYR A 55 -4.403 -3.747 2.415 1.00 70.45 H new ATOM 0 HB3 TYR A 55 -4.954 -2.094 2.232 1.00 70.45 H new ATOM 0 HD1 TYR A 55 -6.061 -5.585 2.852 1.00 33.13 H new ATOM 0 HD2 TYR A 55 -7.331 -1.512 2.576 1.00 15.44 H new ATOM 0 HE1 TYR A 55 -8.178 -6.166 3.945 1.00 22.21 H new ATOM 0 HE2 TYR A 55 -9.428 -2.100 3.707 1.00 25.11 H new ATOM 0 HH TYR A 55 -10.189 -3.953 5.345 1.00 35.11 H new ATOM 854 N LEU A 56 -3.636 -1.507 -0.257 1.00 72.32 N ATOM 855 CA LEU A 56 -2.409 -0.894 -0.764 1.00 62.34 C ATOM 856 C LEU A 56 -1.934 0.126 0.257 1.00 65.12 C ATOM 857 O LEU A 56 -2.589 1.153 0.467 1.00 2.42 O ATOM 858 CB LEU A 56 -2.674 -0.240 -2.138 1.00 62.44 C ATOM 859 CG LEU A 56 -1.457 0.428 -2.846 1.00 24.44 C ATOM 860 CD1 LEU A 56 -0.281 -0.548 -3.022 1.00 41.52 C ATOM 861 CD2 LEU A 56 -1.896 1.026 -4.192 1.00 72.22 C ATOM 0 H LEU A 56 -4.372 -0.833 -0.044 1.00 72.32 H new ATOM 0 HA LEU A 56 -1.633 -1.645 -0.908 1.00 62.34 H new ATOM 0 HB2 LEU A 56 -3.078 -1.002 -2.804 1.00 62.44 H new ATOM 0 HB3 LEU A 56 -3.449 0.516 -2.010 1.00 62.44 H new ATOM 0 HG LEU A 56 -1.096 1.233 -2.206 1.00 24.44 H new ATOM 0 HD11 LEU A 56 0.544 -0.038 -3.520 1.00 41.52 H new ATOM 0 HD12 LEU A 56 0.048 -0.901 -2.045 1.00 41.52 H new ATOM 0 HD13 LEU A 56 -0.600 -1.397 -3.626 1.00 41.52 H new ATOM 0 HD21 LEU A 56 -1.040 1.491 -4.680 1.00 72.22 H new ATOM 0 HD22 LEU A 56 -2.292 0.236 -4.829 1.00 72.22 H new ATOM 0 HD23 LEU A 56 -2.668 1.776 -4.022 1.00 72.22 H new ATOM 873 N VAL A 57 -0.816 -0.196 0.912 1.00 31.34 N ATOM 874 CA VAL A 57 -0.219 0.651 1.941 1.00 14.03 C ATOM 875 C VAL A 57 0.898 1.484 1.301 1.00 75.24 C ATOM 876 O VAL A 57 1.927 0.935 0.889 1.00 35.42 O ATOM 877 CB VAL A 57 0.349 -0.204 3.142 1.00 25.14 C ATOM 878 CG1 VAL A 57 0.902 0.702 4.266 1.00 24.41 C ATOM 879 CG2 VAL A 57 -0.725 -1.176 3.681 1.00 42.42 C ATOM 0 H VAL A 57 -0.298 -1.058 0.740 1.00 31.34 H new ATOM 0 HA VAL A 57 -0.988 1.306 2.351 1.00 14.03 H new ATOM 0 HB VAL A 57 1.181 -0.799 2.765 1.00 25.14 H new ATOM 0 HG11 VAL A 57 1.285 0.083 5.077 1.00 24.41 H new ATOM 0 HG12 VAL A 57 1.707 1.321 3.871 1.00 24.41 H new ATOM 0 HG13 VAL A 57 0.104 1.342 4.644 1.00 24.41 H new ATOM 0 HG21 VAL A 57 -0.311 -1.754 4.507 1.00 42.42 H new ATOM 0 HG22 VAL A 57 -1.587 -0.608 4.031 1.00 42.42 H new ATOM 0 HG23 VAL A 57 -1.036 -1.853 2.885 1.00 42.42 H new ATOM 889 N MET A 58 0.652 2.794 1.165 1.00 61.12 N ATOM 890 CA MET A 58 1.653 3.769 0.702 1.00 33.41 C ATOM 891 C MET A 58 1.920 4.793 1.815 1.00 43.00 C ATOM 892 O MET A 58 1.268 4.770 2.864 1.00 34.10 O ATOM 893 CB MET A 58 1.187 4.484 -0.606 1.00 32.40 C ATOM 894 CG MET A 58 0.021 5.485 -0.465 1.00 10.31 C ATOM 895 SD MET A 58 -1.572 4.704 -0.140 1.00 12.43 S ATOM 896 CE MET A 58 -1.883 3.858 -1.680 1.00 42.13 C ATOM 0 H MET A 58 -0.255 3.212 1.375 1.00 61.12 H new ATOM 0 HA MET A 58 2.577 3.238 0.470 1.00 33.41 H new ATOM 0 HB2 MET A 58 2.041 5.013 -1.029 1.00 32.40 H new ATOM 0 HB3 MET A 58 0.896 3.720 -1.327 1.00 32.40 H new ATOM 0 HG2 MET A 58 0.246 6.180 0.344 1.00 10.31 H new ATOM 0 HG3 MET A 58 -0.053 6.074 -1.379 1.00 10.31 H new ATOM 0 HE1 MET A 58 -2.383 2.910 -1.480 1.00 42.13 H new ATOM 0 HE2 MET A 58 -2.519 4.477 -2.313 1.00 42.13 H new ATOM 0 HE3 MET A 58 -0.938 3.669 -2.189 1.00 42.13 H new ATOM 906 N ASP A 59 2.902 5.663 1.583 1.00 51.41 N ATOM 907 CA ASP A 59 3.189 6.818 2.450 1.00 32.41 C ATOM 908 C ASP A 59 2.569 8.084 1.852 1.00 73.32 C ATOM 909 O ASP A 59 1.914 8.024 0.803 1.00 4.32 O ATOM 910 CB ASP A 59 4.715 6.979 2.617 1.00 12.44 C ATOM 911 CG ASP A 59 5.459 7.175 1.282 1.00 3.03 C ATOM 912 OD1 ASP A 59 5.705 6.169 0.591 1.00 5.33 O ATOM 913 OD2 ASP A 59 5.773 8.326 0.910 1.00 61.32 O ATOM 0 H ASP A 59 3.530 5.590 0.782 1.00 51.41 H new ATOM 0 HA ASP A 59 2.750 6.652 3.434 1.00 32.41 H new ATOM 0 HB2 ASP A 59 4.914 7.833 3.264 1.00 12.44 H new ATOM 0 HB3 ASP A 59 5.113 6.098 3.120 1.00 12.44 H new ATOM 918 N GLU A 60 2.809 9.219 2.530 1.00 11.23 N ATOM 919 CA GLU A 60 2.258 10.525 2.150 1.00 71.41 C ATOM 920 C GLU A 60 2.760 10.984 0.768 1.00 23.20 C ATOM 921 O GLU A 60 1.975 11.462 -0.042 1.00 71.51 O ATOM 922 CB GLU A 60 2.611 11.602 3.202 1.00 11.15 C ATOM 923 CG GLU A 60 1.988 12.991 2.907 1.00 2.45 C ATOM 924 CD GLU A 60 0.473 13.058 3.162 1.00 64.55 C ATOM 925 OE1 GLU A 60 0.066 13.054 4.339 1.00 71.35 O ATOM 926 OE2 GLU A 60 -0.313 13.137 2.190 1.00 14.25 O ATOM 0 H GLU A 60 3.396 9.253 3.363 1.00 11.23 H new ATOM 0 HA GLU A 60 1.176 10.403 2.101 1.00 71.41 H new ATOM 0 HB2 GLU A 60 2.275 11.264 4.182 1.00 11.15 H new ATOM 0 HB3 GLU A 60 3.695 11.704 3.255 1.00 11.15 H new ATOM 0 HG2 GLU A 60 2.484 13.740 3.524 1.00 2.45 H new ATOM 0 HG3 GLU A 60 2.184 13.254 1.867 1.00 2.45 H new ATOM 933 N ARG A 61 4.075 10.832 0.512 1.00 1.31 N ATOM 934 CA ARG A 61 4.717 11.334 -0.731 1.00 44.43 C ATOM 935 C ARG A 61 4.207 10.555 -1.947 1.00 55.32 C ATOM 936 O ARG A 61 3.905 11.149 -2.990 1.00 14.44 O ATOM 937 CB ARG A 61 6.271 11.252 -0.649 1.00 5.04 C ATOM 938 CG ARG A 61 6.950 12.342 0.220 1.00 24.22 C ATOM 939 CD ARG A 61 6.547 12.292 1.708 1.00 24.23 C ATOM 940 NE ARG A 61 7.292 13.276 2.507 1.00 51.24 N ATOM 941 CZ ARG A 61 6.813 13.937 3.571 1.00 0.53 C ATOM 942 NH1 ARG A 61 5.555 13.748 3.990 1.00 32.30 N ATOM 943 NH2 ARG A 61 7.599 14.795 4.201 1.00 5.02 N ATOM 0 H ARG A 61 4.720 10.364 1.149 1.00 1.31 H new ATOM 0 HA ARG A 61 4.446 12.384 -0.842 1.00 44.43 H new ATOM 0 HB2 ARG A 61 6.546 10.274 -0.255 1.00 5.04 H new ATOM 0 HB3 ARG A 61 6.675 11.313 -1.660 1.00 5.04 H new ATOM 0 HG2 ARG A 61 8.032 12.234 0.142 1.00 24.22 H new ATOM 0 HG3 ARG A 61 6.698 13.323 -0.182 1.00 24.22 H new ATOM 0 HD2 ARG A 61 5.478 12.482 1.802 1.00 24.23 H new ATOM 0 HD3 ARG A 61 6.729 11.292 2.101 1.00 24.23 H new ATOM 0 HE ARG A 61 8.253 13.472 2.229 1.00 51.24 H new ATOM 0 HH11 ARG A 61 4.946 13.094 3.498 1.00 32.30 H new ATOM 0 HH12 ARG A 61 5.205 14.258 4.801 1.00 32.30 H new ATOM 0 HH21 ARG A 61 8.554 14.946 3.876 1.00 5.02 H new ATOM 0 HH22 ARG A 61 7.250 15.306 5.012 1.00 5.02 H new ATOM 957 N THR A 62 4.092 9.226 -1.781 1.00 41.45 N ATOM 958 CA THR A 62 3.498 8.345 -2.796 1.00 54.41 C ATOM 959 C THR A 62 2.008 8.691 -3.014 1.00 24.53 C ATOM 960 O THR A 62 1.518 8.668 -4.148 1.00 54.45 O ATOM 961 CB THR A 62 3.665 6.845 -2.394 1.00 60.34 C ATOM 962 OG1 THR A 62 5.063 6.546 -2.276 1.00 71.24 O ATOM 963 CG2 THR A 62 3.028 5.879 -3.413 1.00 62.32 C ATOM 0 H THR A 62 4.407 8.736 -0.943 1.00 41.45 H new ATOM 0 HA THR A 62 4.026 8.504 -3.736 1.00 54.41 H new ATOM 0 HB THR A 62 3.149 6.703 -1.445 1.00 60.34 H new ATOM 0 HG1 THR A 62 5.292 6.420 -1.331 1.00 71.24 H new ATOM 0 HG21 THR A 62 3.175 4.851 -3.081 1.00 62.32 H new ATOM 0 HG22 THR A 62 1.961 6.085 -3.492 1.00 62.32 H new ATOM 0 HG23 THR A 62 3.497 6.017 -4.387 1.00 62.32 H new ATOM 971 N TRP A 63 1.321 9.059 -1.914 1.00 53.15 N ATOM 972 CA TRP A 63 -0.084 9.490 -1.949 1.00 71.33 C ATOM 973 C TRP A 63 -0.242 10.802 -2.730 1.00 42.03 C ATOM 974 O TRP A 63 -1.203 10.934 -3.472 1.00 43.41 O ATOM 975 CB TRP A 63 -0.671 9.649 -0.521 1.00 70.32 C ATOM 976 CG TRP A 63 -2.027 10.333 -0.485 1.00 73.54 C ATOM 977 CD1 TRP A 63 -2.289 11.624 -0.102 1.00 62.33 C ATOM 978 CD2 TRP A 63 -3.288 9.778 -0.899 1.00 70.32 C ATOM 979 NE1 TRP A 63 -3.627 11.888 -0.216 1.00 1.15 N ATOM 980 CE2 TRP A 63 -4.263 10.775 -0.705 1.00 64.25 C ATOM 981 CE3 TRP A 63 -3.686 8.532 -1.403 1.00 30.34 C ATOM 982 CZ2 TRP A 63 -5.604 10.567 -0.995 1.00 34.25 C ATOM 983 CZ3 TRP A 63 -5.022 8.329 -1.693 1.00 30.34 C ATOM 984 CH2 TRP A 63 -5.967 9.342 -1.488 1.00 23.42 C ATOM 0 H TRP A 63 1.728 9.065 -0.979 1.00 53.15 H new ATOM 0 HA TRP A 63 -0.643 8.707 -2.462 1.00 71.33 H new ATOM 0 HB2 TRP A 63 -0.760 8.664 -0.064 1.00 70.32 H new ATOM 0 HB3 TRP A 63 0.030 10.221 0.088 1.00 70.32 H new ATOM 0 HD1 TRP A 63 -1.547 12.330 0.240 1.00 62.33 H new ATOM 0 HE1 TRP A 63 -4.079 12.770 0.024 1.00 1.15 H new ATOM 0 HE3 TRP A 63 -2.963 7.746 -1.562 1.00 30.34 H new ATOM 0 HZ2 TRP A 63 -6.337 11.345 -0.837 1.00 34.25 H new ATOM 0 HZ3 TRP A 63 -5.342 7.374 -2.084 1.00 30.34 H new ATOM 0 HH2 TRP A 63 -7.004 9.153 -1.724 1.00 23.42 H new ATOM 995 N LYS A 64 0.707 11.761 -2.564 1.00 71.34 N ATOM 996 CA LYS A 64 0.639 13.077 -3.248 1.00 13.25 C ATOM 997 C LYS A 64 0.534 12.876 -4.770 1.00 10.40 C ATOM 998 O LYS A 64 -0.171 13.611 -5.460 1.00 11.35 O ATOM 999 CB LYS A 64 1.880 13.973 -2.942 1.00 51.14 C ATOM 1000 CG LYS A 64 2.119 14.329 -1.454 1.00 40.13 C ATOM 1001 CD LYS A 64 0.839 14.810 -0.713 1.00 52.02 C ATOM 1002 CE LYS A 64 1.139 15.660 0.530 1.00 71.12 C ATOM 1003 NZ LYS A 64 -0.104 15.941 1.304 1.00 52.35 N ATOM 0 H LYS A 64 1.524 11.647 -1.965 1.00 71.34 H new ATOM 0 HA LYS A 64 -0.247 13.585 -2.867 1.00 13.25 H new ATOM 0 HB2 LYS A 64 2.769 13.467 -3.320 1.00 51.14 H new ATOM 0 HB3 LYS A 64 1.779 14.901 -3.504 1.00 51.14 H new ATOM 0 HG2 LYS A 64 2.519 13.455 -0.940 1.00 40.13 H new ATOM 0 HG3 LYS A 64 2.878 15.109 -1.394 1.00 40.13 H new ATOM 0 HD2 LYS A 64 0.225 15.391 -1.402 1.00 52.02 H new ATOM 0 HD3 LYS A 64 0.251 13.941 -0.417 1.00 52.02 H new ATOM 0 HE2 LYS A 64 1.856 15.140 1.165 1.00 71.12 H new ATOM 0 HE3 LYS A 64 1.603 16.599 0.228 1.00 71.12 H new ATOM 0 HZ1 LYS A 64 0.097 16.651 2.037 1.00 52.35 H new ATOM 0 HZ2 LYS A 64 -0.838 16.304 0.662 1.00 52.35 H new ATOM 0 HZ3 LYS A 64 -0.439 15.065 1.753 1.00 52.35 H new ATOM 1017 N LYS A 65 1.228 11.830 -5.244 1.00 2.03 N ATOM 1018 CA LYS A 65 1.290 11.451 -6.658 1.00 43.43 C ATOM 1019 C LYS A 65 -0.038 10.809 -7.112 1.00 54.33 C ATOM 1020 O LYS A 65 -0.609 11.220 -8.119 1.00 23.24 O ATOM 1021 CB LYS A 65 2.477 10.470 -6.872 1.00 31.43 C ATOM 1022 CG LYS A 65 3.816 10.943 -6.257 1.00 22.11 C ATOM 1023 CD LYS A 65 4.299 12.312 -6.776 1.00 12.52 C ATOM 1024 CE LYS A 65 4.562 12.331 -8.290 1.00 54.23 C ATOM 1025 NZ LYS A 65 5.045 13.665 -8.737 1.00 45.21 N ATOM 0 H LYS A 65 1.772 11.213 -4.640 1.00 2.03 H new ATOM 0 HA LYS A 65 1.448 12.344 -7.262 1.00 43.43 H new ATOM 0 HB2 LYS A 65 2.215 9.503 -6.442 1.00 31.43 H new ATOM 0 HB3 LYS A 65 2.617 10.316 -7.942 1.00 31.43 H new ATOM 0 HG2 LYS A 65 3.707 10.995 -5.174 1.00 22.11 H new ATOM 0 HG3 LYS A 65 4.583 10.197 -6.465 1.00 22.11 H new ATOM 0 HD2 LYS A 65 3.552 13.068 -6.535 1.00 12.52 H new ATOM 0 HD3 LYS A 65 5.214 12.589 -6.252 1.00 12.52 H new ATOM 0 HE2 LYS A 65 5.301 11.571 -8.543 1.00 54.23 H new ATOM 0 HE3 LYS A 65 3.647 12.076 -8.824 1.00 54.23 H new ATOM 0 HZ1 LYS A 65 5.214 13.647 -9.763 1.00 45.21 H new ATOM 0 HZ2 LYS A 65 4.328 14.386 -8.517 1.00 45.21 H new ATOM 0 HZ3 LYS A 65 5.931 13.896 -8.244 1.00 45.21 H new ATOM 1039 N VAL A 66 -0.522 9.820 -6.327 1.00 72.20 N ATOM 1040 CA VAL A 66 -1.773 9.069 -6.609 1.00 43.20 C ATOM 1041 C VAL A 66 -2.989 10.018 -6.641 1.00 71.13 C ATOM 1042 O VAL A 66 -3.713 10.079 -7.636 1.00 0.14 O ATOM 1043 CB VAL A 66 -1.989 7.933 -5.530 1.00 13.24 C ATOM 1044 CG1 VAL A 66 -3.341 7.201 -5.712 1.00 4.32 C ATOM 1045 CG2 VAL A 66 -0.813 6.932 -5.568 1.00 45.25 C ATOM 0 H VAL A 66 -0.054 9.516 -5.473 1.00 72.20 H new ATOM 0 HA VAL A 66 -1.677 8.605 -7.591 1.00 43.20 H new ATOM 0 HB VAL A 66 -2.018 8.411 -4.551 1.00 13.24 H new ATOM 0 HG11 VAL A 66 -3.443 6.430 -4.948 1.00 4.32 H new ATOM 0 HG12 VAL A 66 -4.158 7.917 -5.617 1.00 4.32 H new ATOM 0 HG13 VAL A 66 -3.375 6.740 -6.699 1.00 4.32 H new ATOM 0 HG21 VAL A 66 -0.973 6.155 -4.821 1.00 45.25 H new ATOM 0 HG22 VAL A 66 -0.753 6.478 -6.557 1.00 45.25 H new ATOM 0 HG23 VAL A 66 0.118 7.456 -5.353 1.00 45.25 H new ATOM 1055 N TYR A 67 -3.157 10.761 -5.534 1.00 54.15 N ATOM 1056 CA TYR A 67 -4.190 11.805 -5.338 1.00 35.32 C ATOM 1057 C TYR A 67 -4.218 12.813 -6.510 1.00 24.21 C ATOM 1058 O TYR A 67 -5.294 13.181 -6.994 1.00 44.35 O ATOM 1059 CB TYR A 67 -3.894 12.529 -3.993 1.00 2.34 C ATOM 1060 CG TYR A 67 -4.904 13.595 -3.548 1.00 12.50 C ATOM 1061 CD1 TYR A 67 -6.225 13.254 -3.242 1.00 5.12 C ATOM 1062 CD2 TYR A 67 -4.528 14.934 -3.395 1.00 53.21 C ATOM 1063 CE1 TYR A 67 -7.127 14.203 -2.804 1.00 21.22 C ATOM 1064 CE2 TYR A 67 -5.434 15.884 -2.963 1.00 43.32 C ATOM 1065 CZ TYR A 67 -6.727 15.511 -2.669 1.00 11.51 C ATOM 1066 OH TYR A 67 -7.627 16.452 -2.228 1.00 73.01 O ATOM 0 H TYR A 67 -2.556 10.650 -4.717 1.00 54.15 H new ATOM 0 HA TYR A 67 -5.174 11.338 -5.309 1.00 35.32 H new ATOM 0 HB2 TYR A 67 -3.827 11.775 -3.208 1.00 2.34 H new ATOM 0 HB3 TYR A 67 -2.914 12.999 -4.068 1.00 2.34 H new ATOM 0 HD1 TYR A 67 -6.546 12.228 -3.350 1.00 5.12 H new ATOM 0 HD2 TYR A 67 -3.514 15.230 -3.618 1.00 53.21 H new ATOM 0 HE1 TYR A 67 -8.142 13.919 -2.569 1.00 21.22 H new ATOM 0 HE2 TYR A 67 -5.129 16.915 -2.856 1.00 43.32 H new ATOM 0 HH TYR A 67 -7.190 17.328 -2.185 1.00 73.01 H new ATOM 1076 N ASP A 68 -3.012 13.210 -6.967 1.00 13.21 N ATOM 1077 CA ASP A 68 -2.836 14.143 -8.097 1.00 63.21 C ATOM 1078 C ASP A 68 -3.393 13.544 -9.402 1.00 0.02 C ATOM 1079 O ASP A 68 -4.141 14.210 -10.117 1.00 33.12 O ATOM 1080 CB ASP A 68 -1.340 14.510 -8.278 1.00 2.45 C ATOM 1081 CG ASP A 68 -1.085 15.416 -9.498 1.00 3.04 C ATOM 1082 OD1 ASP A 68 -1.369 16.629 -9.418 1.00 71.30 O ATOM 1083 OD2 ASP A 68 -0.615 14.923 -10.546 1.00 11.21 O ATOM 0 H ASP A 68 -2.132 12.891 -6.561 1.00 13.21 H new ATOM 0 HA ASP A 68 -3.395 15.050 -7.868 1.00 63.21 H new ATOM 0 HB2 ASP A 68 -0.984 15.012 -7.379 1.00 2.45 H new ATOM 0 HB3 ASP A 68 -0.757 13.595 -8.384 1.00 2.45 H new ATOM 1088 N LEU A 69 -3.036 12.268 -9.672 1.00 71.24 N ATOM 1089 CA LEU A 69 -3.454 11.538 -10.891 1.00 25.11 C ATOM 1090 C LEU A 69 -4.974 11.355 -10.936 1.00 71.30 C ATOM 1091 O LEU A 69 -5.582 11.456 -12.006 1.00 1.31 O ATOM 1092 CB LEU A 69 -2.769 10.151 -10.953 1.00 75.25 C ATOM 1093 CG LEU A 69 -1.220 10.172 -11.046 1.00 2.54 C ATOM 1094 CD1 LEU A 69 -0.644 8.747 -10.987 1.00 52.12 C ATOM 1095 CD2 LEU A 69 -0.748 10.931 -12.305 1.00 11.44 C ATOM 0 H LEU A 69 -2.448 11.714 -9.049 1.00 71.24 H new ATOM 0 HA LEU A 69 -3.149 12.134 -11.751 1.00 25.11 H new ATOM 0 HB2 LEU A 69 -3.054 9.585 -10.066 1.00 75.25 H new ATOM 0 HB3 LEU A 69 -3.160 9.611 -11.815 1.00 75.25 H new ATOM 0 HG LEU A 69 -0.836 10.713 -10.181 1.00 2.54 H new ATOM 0 HD11 LEU A 69 0.443 8.791 -11.054 1.00 52.12 H new ATOM 0 HD12 LEU A 69 -0.931 8.277 -10.046 1.00 52.12 H new ATOM 0 HD13 LEU A 69 -1.036 8.162 -11.819 1.00 52.12 H new ATOM 0 HD21 LEU A 69 0.341 10.929 -12.344 1.00 11.44 H new ATOM 0 HD22 LEU A 69 -1.143 10.441 -13.195 1.00 11.44 H new ATOM 0 HD23 LEU A 69 -1.108 11.959 -12.266 1.00 11.44 H new ATOM 1107 N LEU A 70 -5.564 11.084 -9.757 1.00 11.23 N ATOM 1108 CA LEU A 70 -7.016 10.909 -9.607 1.00 22.30 C ATOM 1109 C LEU A 70 -7.747 12.182 -10.072 1.00 33.31 C ATOM 1110 O LEU A 70 -8.573 12.131 -10.988 1.00 44.21 O ATOM 1111 CB LEU A 70 -7.370 10.559 -8.131 1.00 14.11 C ATOM 1112 CG LEU A 70 -6.805 9.204 -7.592 1.00 12.11 C ATOM 1113 CD1 LEU A 70 -7.153 9.003 -6.100 1.00 31.00 C ATOM 1114 CD2 LEU A 70 -7.287 8.016 -8.455 1.00 12.11 C ATOM 0 H LEU A 70 -5.046 10.981 -8.884 1.00 11.23 H new ATOM 0 HA LEU A 70 -7.345 10.079 -10.233 1.00 22.30 H new ATOM 0 HB2 LEU A 70 -7.005 11.362 -7.491 1.00 14.11 H new ATOM 0 HB3 LEU A 70 -8.455 10.542 -8.033 1.00 14.11 H new ATOM 0 HG LEU A 70 -5.718 9.243 -7.668 1.00 12.11 H new ATOM 0 HD11 LEU A 70 -6.746 8.052 -5.756 1.00 31.00 H new ATOM 0 HD12 LEU A 70 -6.723 9.815 -5.514 1.00 31.00 H new ATOM 0 HD13 LEU A 70 -8.236 9.000 -5.976 1.00 31.00 H new ATOM 0 HD21 LEU A 70 -6.878 7.087 -8.056 1.00 12.11 H new ATOM 0 HD22 LEU A 70 -8.376 7.971 -8.436 1.00 12.11 H new ATOM 0 HD23 LEU A 70 -6.947 8.151 -9.482 1.00 12.11 H new ATOM 1126 N ILE A 71 -7.340 13.327 -9.496 1.00 21.40 N ATOM 1127 CA ILE A 71 -7.944 14.645 -9.781 1.00 4.32 C ATOM 1128 C ILE A 71 -7.651 15.099 -11.230 1.00 40.23 C ATOM 1129 O ILE A 71 -8.489 15.740 -11.872 1.00 35.44 O ATOM 1130 CB ILE A 71 -7.437 15.726 -8.756 1.00 55.15 C ATOM 1131 CG1 ILE A 71 -7.713 15.252 -7.297 1.00 14.30 C ATOM 1132 CG2 ILE A 71 -8.090 17.110 -9.019 1.00 1.00 C ATOM 1133 CD1 ILE A 71 -7.123 16.144 -6.228 1.00 31.51 C ATOM 0 H ILE A 71 -6.580 13.367 -8.817 1.00 21.40 H new ATOM 0 HA ILE A 71 -9.024 14.541 -9.672 1.00 4.32 H new ATOM 0 HB ILE A 71 -6.362 15.843 -8.891 1.00 55.15 H new ATOM 0 HG12 ILE A 71 -8.791 15.189 -7.146 1.00 14.30 H new ATOM 0 HG13 ILE A 71 -7.314 14.245 -7.174 1.00 14.30 H new ATOM 0 HG21 ILE A 71 -7.717 17.832 -8.293 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -7.840 17.445 -10.026 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -9.173 17.026 -8.924 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -7.363 15.740 -5.244 1.00 31.51 H new ATOM 0 HD12 ILE A 71 -6.041 16.189 -6.348 1.00 31.51 H new ATOM 0 HD13 ILE A 71 -7.540 17.147 -6.320 1.00 31.51 H new ATOM 1145 N LEU A 72 -6.464 14.721 -11.737 1.00 11.21 N ATOM 1146 CA LEU A 72 -6.018 15.055 -13.103 1.00 13.50 C ATOM 1147 C LEU A 72 -6.913 14.345 -14.140 1.00 21.01 C ATOM 1148 O LEU A 72 -7.261 14.929 -15.175 1.00 74.41 O ATOM 1149 CB LEU A 72 -4.507 14.674 -13.263 1.00 63.20 C ATOM 1150 CG LEU A 72 -3.761 15.054 -14.604 1.00 53.12 C ATOM 1151 CD1 LEU A 72 -4.018 14.043 -15.749 1.00 72.12 C ATOM 1152 CD2 LEU A 72 -4.091 16.508 -15.042 1.00 30.15 C ATOM 0 H LEU A 72 -5.784 14.173 -11.210 1.00 11.21 H new ATOM 0 HA LEU A 72 -6.113 16.127 -13.278 1.00 13.50 H new ATOM 0 HB2 LEU A 72 -3.962 15.136 -12.440 1.00 63.20 H new ATOM 0 HB3 LEU A 72 -4.424 13.595 -13.134 1.00 63.20 H new ATOM 0 HG LEU A 72 -2.694 15.001 -14.387 1.00 53.12 H new ATOM 0 HD11 LEU A 72 -3.479 14.360 -16.642 1.00 72.12 H new ATOM 0 HD12 LEU A 72 -3.671 13.055 -15.447 1.00 72.12 H new ATOM 0 HD13 LEU A 72 -5.086 14.002 -15.965 1.00 72.12 H new ATOM 0 HD21 LEU A 72 -3.563 16.738 -15.967 1.00 30.15 H new ATOM 0 HD22 LEU A 72 -5.165 16.604 -15.204 1.00 30.15 H new ATOM 0 HD23 LEU A 72 -3.778 17.203 -14.263 1.00 30.15 H new ATOM 1164 N HIS A 73 -7.282 13.088 -13.839 1.00 13.31 N ATOM 1165 CA HIS A 73 -8.112 12.261 -14.732 1.00 20.21 C ATOM 1166 C HIS A 73 -9.571 12.741 -14.718 1.00 75.41 C ATOM 1167 O HIS A 73 -10.072 13.197 -15.754 1.00 23.15 O ATOM 1168 CB HIS A 73 -8.011 10.754 -14.345 1.00 53.01 C ATOM 1169 CG HIS A 73 -6.791 10.054 -14.886 1.00 22.24 C ATOM 1170 ND1 HIS A 73 -6.850 8.845 -15.546 1.00 13.32 N ATOM 1171 CD2 HIS A 73 -5.481 10.388 -14.856 1.00 12.11 C ATOM 1172 CE1 HIS A 73 -5.642 8.474 -15.897 1.00 4.40 C ATOM 1173 NE2 HIS A 73 -4.793 9.392 -15.492 1.00 21.45 N ATOM 0 H HIS A 73 -7.015 12.618 -12.974 1.00 13.31 H new ATOM 0 HA HIS A 73 -7.733 12.370 -15.748 1.00 20.21 H new ATOM 0 HB2 HIS A 73 -8.012 10.669 -13.258 1.00 53.01 H new ATOM 0 HB3 HIS A 73 -8.901 10.238 -14.705 1.00 53.01 H new ATOM 0 HD2 HIS A 73 -5.057 11.277 -14.412 1.00 12.11 H new ATOM 0 HE1 HIS A 73 -5.388 7.569 -16.428 1.00 4.40 H new ATOM 0 HE2 HIS A 73 -3.783 9.366 -15.630 1.00 21.45 H new ATOM 1182 N ASP A 74 -10.225 12.674 -13.535 1.00 72.14 N ATOM 1183 CA ASP A 74 -11.672 13.009 -13.386 1.00 54.52 C ATOM 1184 C ASP A 74 -12.157 12.887 -11.924 1.00 52.13 C ATOM 1185 O ASP A 74 -13.209 13.438 -11.571 1.00 72.44 O ATOM 1186 CB ASP A 74 -12.570 12.108 -14.299 1.00 25.01 C ATOM 1187 CG ASP A 74 -12.393 10.597 -14.037 1.00 22.14 C ATOM 1188 OD1 ASP A 74 -11.526 9.966 -14.686 1.00 52.13 O ATOM 1189 OD2 ASP A 74 -13.118 10.027 -13.192 1.00 70.33 O ATOM 0 H ASP A 74 -9.777 12.391 -12.664 1.00 72.14 H new ATOM 0 HA ASP A 74 -11.769 14.049 -13.698 1.00 54.52 H new ATOM 0 HB2 ASP A 74 -13.615 12.376 -14.145 1.00 25.01 H new ATOM 0 HB3 ASP A 74 -12.338 12.317 -15.343 1.00 25.01 H new ATOM 1194 N PHE A 75 -11.401 12.155 -11.088 1.00 51.33 N ATOM 1195 CA PHE A 75 -11.819 11.815 -9.716 1.00 14.25 C ATOM 1196 C PHE A 75 -11.623 13.032 -8.785 1.00 70.35 C ATOM 1197 O PHE A 75 -10.520 13.299 -8.305 1.00 52.45 O ATOM 1198 CB PHE A 75 -11.038 10.559 -9.227 1.00 53.11 C ATOM 1199 CG PHE A 75 -11.572 9.855 -7.965 1.00 3.31 C ATOM 1200 CD1 PHE A 75 -12.823 10.155 -7.404 1.00 53.12 C ATOM 1201 CD2 PHE A 75 -10.814 8.849 -7.359 1.00 44.21 C ATOM 1202 CE1 PHE A 75 -13.279 9.479 -6.284 1.00 73.05 C ATOM 1203 CE2 PHE A 75 -11.274 8.183 -6.239 1.00 74.34 C ATOM 1204 CZ PHE A 75 -12.504 8.494 -5.706 1.00 73.42 C ATOM 0 H PHE A 75 -10.486 11.783 -11.343 1.00 51.33 H new ATOM 0 HA PHE A 75 -12.881 11.568 -9.699 1.00 14.25 H new ATOM 0 HB2 PHE A 75 -11.021 9.832 -10.039 1.00 53.11 H new ATOM 0 HB3 PHE A 75 -10.005 10.853 -9.040 1.00 53.11 H new ATOM 0 HD1 PHE A 75 -13.438 10.922 -7.851 1.00 53.12 H new ATOM 0 HD2 PHE A 75 -9.852 8.588 -7.774 1.00 44.21 H new ATOM 0 HE1 PHE A 75 -14.243 9.723 -5.862 1.00 73.05 H new ATOM 0 HE2 PHE A 75 -10.667 7.416 -5.781 1.00 74.34 H new ATOM 0 HZ PHE A 75 -12.863 7.967 -4.835 1.00 73.42 H new ATOM 1214 N THR A 76 -12.729 13.760 -8.581 1.00 2.12 N ATOM 1215 CA THR A 76 -12.813 14.991 -7.798 1.00 11.23 C ATOM 1216 C THR A 76 -12.276 14.811 -6.343 1.00 23.00 C ATOM 1217 O THR A 76 -12.586 13.796 -5.707 1.00 52.41 O ATOM 1218 CB THR A 76 -14.319 15.420 -7.772 1.00 63.41 C ATOM 1219 OG1 THR A 76 -14.828 15.523 -9.122 1.00 32.44 O ATOM 1220 CG2 THR A 76 -14.557 16.738 -7.039 1.00 23.13 C ATOM 0 H THR A 76 -13.629 13.490 -8.978 1.00 2.12 H new ATOM 0 HA THR A 76 -12.187 15.755 -8.259 1.00 11.23 H new ATOM 0 HB THR A 76 -14.851 14.645 -7.221 1.00 63.41 H new ATOM 0 HG1 THR A 76 -15.771 15.790 -9.097 1.00 32.44 H new ATOM 0 HG21 THR A 76 -15.620 16.978 -7.057 1.00 23.13 H new ATOM 0 HG22 THR A 76 -14.224 16.645 -6.005 1.00 23.13 H new ATOM 0 HG23 THR A 76 -13.997 17.534 -7.530 1.00 23.13 H new ATOM 1228 N PRO A 77 -11.476 15.803 -5.794 1.00 25.45 N ATOM 1229 CA PRO A 77 -10.930 15.759 -4.395 1.00 63.20 C ATOM 1230 C PRO A 77 -12.024 15.582 -3.340 1.00 41.41 C ATOM 1231 O PRO A 77 -11.805 14.922 -2.324 1.00 22.41 O ATOM 1232 CB PRO A 77 -10.210 17.132 -4.236 1.00 55.34 C ATOM 1233 CG PRO A 77 -10.759 17.990 -5.335 1.00 4.04 C ATOM 1234 CD PRO A 77 -11.018 17.043 -6.485 1.00 31.14 C ATOM 0 HA PRO A 77 -10.268 14.906 -4.245 1.00 63.20 H new ATOM 0 HB2 PRO A 77 -10.408 17.570 -3.258 1.00 55.34 H new ATOM 0 HB3 PRO A 77 -9.129 17.023 -4.324 1.00 55.34 H new ATOM 0 HG2 PRO A 77 -11.676 18.491 -5.023 1.00 4.04 H new ATOM 0 HG3 PRO A 77 -10.051 18.769 -5.618 1.00 4.04 H new ATOM 0 HD2 PRO A 77 -11.776 17.431 -7.165 1.00 31.14 H new ATOM 0 HD3 PRO A 77 -10.119 16.868 -7.076 1.00 31.14 H new ATOM 1242 N GLU A 78 -13.198 16.174 -3.629 1.00 13.02 N ATOM 1243 CA GLU A 78 -14.382 16.126 -2.762 1.00 42.31 C ATOM 1244 C GLU A 78 -14.912 14.688 -2.625 1.00 2.01 C ATOM 1245 O GLU A 78 -15.387 14.296 -1.557 1.00 72.52 O ATOM 1246 CB GLU A 78 -15.468 17.073 -3.322 1.00 0.14 C ATOM 1247 CG GLU A 78 -15.006 18.536 -3.473 1.00 32.25 C ATOM 1248 CD GLU A 78 -16.074 19.425 -4.127 1.00 1.34 C ATOM 1249 OE1 GLU A 78 -16.136 19.477 -5.375 1.00 23.22 O ATOM 1250 OE2 GLU A 78 -16.878 20.050 -3.397 1.00 43.30 O ATOM 0 H GLU A 78 -13.349 16.707 -4.486 1.00 13.02 H new ATOM 0 HA GLU A 78 -14.104 16.461 -1.763 1.00 42.31 H new ATOM 0 HB2 GLU A 78 -15.792 16.703 -4.295 1.00 0.14 H new ATOM 0 HB3 GLU A 78 -16.336 17.043 -2.664 1.00 0.14 H new ATOM 0 HG2 GLU A 78 -14.755 18.938 -2.491 1.00 32.25 H new ATOM 0 HG3 GLU A 78 -14.096 18.566 -4.072 1.00 32.25 H new ATOM 1257 N GLU A 79 -14.800 13.897 -3.698 1.00 72.44 N ATOM 1258 CA GLU A 79 -15.264 12.501 -3.696 1.00 5.14 C ATOM 1259 C GLU A 79 -14.211 11.584 -3.050 1.00 65.10 C ATOM 1260 O GLU A 79 -14.566 10.668 -2.311 1.00 41.13 O ATOM 1261 CB GLU A 79 -15.611 12.034 -5.133 1.00 65.13 C ATOM 1262 CG GLU A 79 -16.591 12.963 -5.889 1.00 63.43 C ATOM 1263 CD GLU A 79 -17.813 13.392 -5.049 1.00 64.34 C ATOM 1264 OE1 GLU A 79 -18.737 12.569 -4.855 1.00 35.41 O ATOM 1265 OE2 GLU A 79 -17.858 14.556 -4.584 1.00 4.35 O ATOM 0 H GLU A 79 -14.391 14.199 -4.582 1.00 72.44 H new ATOM 0 HA GLU A 79 -16.174 12.440 -3.100 1.00 5.14 H new ATOM 0 HB2 GLU A 79 -14.689 11.954 -5.708 1.00 65.13 H new ATOM 0 HB3 GLU A 79 -16.043 11.035 -5.083 1.00 65.13 H new ATOM 0 HG2 GLU A 79 -16.055 13.854 -6.215 1.00 63.43 H new ATOM 0 HG3 GLU A 79 -16.940 12.454 -6.788 1.00 63.43 H new ATOM 1272 N ILE A 80 -12.917 11.873 -3.313 1.00 4.22 N ATOM 1273 CA ILE A 80 -11.775 11.130 -2.730 1.00 43.42 C ATOM 1274 C ILE A 80 -11.829 11.180 -1.186 1.00 11.20 C ATOM 1275 O ILE A 80 -11.767 10.143 -0.509 1.00 74.33 O ATOM 1276 CB ILE A 80 -10.403 11.715 -3.247 1.00 55.51 C ATOM 1277 CG1 ILE A 80 -10.313 11.635 -4.804 1.00 0.43 C ATOM 1278 CG2 ILE A 80 -9.199 10.993 -2.591 1.00 74.11 C ATOM 1279 CD1 ILE A 80 -9.102 12.327 -5.405 1.00 53.12 C ATOM 0 H ILE A 80 -12.634 12.629 -3.936 1.00 4.22 H new ATOM 0 HA ILE A 80 -11.848 10.090 -3.050 1.00 43.42 H new ATOM 0 HB ILE A 80 -10.362 12.765 -2.956 1.00 55.51 H new ATOM 0 HG12 ILE A 80 -10.300 10.586 -5.100 1.00 0.43 H new ATOM 0 HG13 ILE A 80 -11.215 12.075 -5.230 1.00 0.43 H new ATOM 0 HG21 ILE A 80 -8.269 11.419 -2.968 1.00 74.11 H new ATOM 0 HG22 ILE A 80 -9.244 11.120 -1.509 1.00 74.11 H new ATOM 0 HG23 ILE A 80 -9.236 9.931 -2.833 1.00 74.11 H new ATOM 0 HD11 ILE A 80 -9.123 12.220 -6.490 1.00 53.12 H new ATOM 0 HD12 ILE A 80 -9.121 13.385 -5.144 1.00 53.12 H new ATOM 0 HD13 ILE A 80 -8.192 11.873 -5.013 1.00 53.12 H new ATOM 1291 N LYS A 81 -12.015 12.408 -0.656 1.00 10.12 N ATOM 1292 CA LYS A 81 -12.046 12.669 0.794 1.00 72.24 C ATOM 1293 C LYS A 81 -13.315 12.092 1.464 1.00 3.44 C ATOM 1294 O LYS A 81 -13.317 11.834 2.670 1.00 4.24 O ATOM 1295 CB LYS A 81 -11.892 14.185 1.069 1.00 11.41 C ATOM 1296 CG LYS A 81 -13.092 15.063 0.640 1.00 55.42 C ATOM 1297 CD LYS A 81 -12.754 16.575 0.528 1.00 53.12 C ATOM 1298 CE LYS A 81 -12.595 17.304 1.885 1.00 74.11 C ATOM 1299 NZ LYS A 81 -11.505 16.763 2.742 1.00 41.44 N ATOM 0 H LYS A 81 -12.148 13.245 -1.224 1.00 10.12 H new ATOM 0 HA LYS A 81 -11.200 12.151 1.245 1.00 72.24 H new ATOM 0 HB2 LYS A 81 -11.722 14.328 2.136 1.00 11.41 H new ATOM 0 HB3 LYS A 81 -11.000 14.542 0.554 1.00 11.41 H new ATOM 0 HG2 LYS A 81 -13.462 14.711 -0.323 1.00 55.42 H new ATOM 0 HG3 LYS A 81 -13.901 14.933 1.359 1.00 55.42 H new ATOM 0 HD2 LYS A 81 -11.830 16.686 -0.039 1.00 53.12 H new ATOM 0 HD3 LYS A 81 -13.540 17.068 -0.044 1.00 53.12 H new ATOM 0 HE2 LYS A 81 -12.404 18.361 1.697 1.00 74.11 H new ATOM 0 HE3 LYS A 81 -13.536 17.242 2.431 1.00 74.11 H new ATOM 0 HZ1 LYS A 81 -11.106 17.529 3.321 1.00 41.44 H new ATOM 0 HZ2 LYS A 81 -11.888 16.023 3.364 1.00 41.44 H new ATOM 0 HZ3 LYS A 81 -10.759 16.358 2.141 1.00 41.44 H new ATOM 1313 N SER A 82 -14.374 11.866 0.655 1.00 62.23 N ATOM 1314 CA SER A 82 -15.642 11.265 1.124 1.00 60.51 C ATOM 1315 C SER A 82 -15.442 9.784 1.523 1.00 25.40 C ATOM 1316 O SER A 82 -16.145 9.276 2.406 1.00 25.11 O ATOM 1317 CB SER A 82 -16.738 11.396 0.034 1.00 42.44 C ATOM 1318 OG SER A 82 -17.999 10.930 0.497 1.00 41.04 O ATOM 0 H SER A 82 -14.374 12.095 -0.339 1.00 62.23 H new ATOM 0 HA SER A 82 -15.968 11.809 2.011 1.00 60.51 H new ATOM 0 HB2 SER A 82 -16.825 12.439 -0.271 1.00 42.44 H new ATOM 0 HB3 SER A 82 -16.443 10.829 -0.849 1.00 42.44 H new ATOM 0 HG SER A 82 -18.666 11.029 -0.215 1.00 41.04 H new ATOM 1324 N PHE A 83 -14.472 9.104 0.871 1.00 64.24 N ATOM 1325 CA PHE A 83 -14.120 7.701 1.193 1.00 42.20 C ATOM 1326 C PHE A 83 -13.334 7.600 2.511 1.00 74.42 C ATOM 1327 O PHE A 83 -13.243 6.516 3.078 1.00 43.31 O ATOM 1328 CB PHE A 83 -13.309 7.040 0.050 1.00 1.35 C ATOM 1329 CG PHE A 83 -14.114 6.735 -1.213 1.00 3.32 C ATOM 1330 CD1 PHE A 83 -14.230 7.668 -2.238 1.00 5.55 C ATOM 1331 CD2 PHE A 83 -14.755 5.506 -1.370 1.00 55.52 C ATOM 1332 CE1 PHE A 83 -14.961 7.388 -3.379 1.00 73.35 C ATOM 1333 CE2 PHE A 83 -15.482 5.225 -2.511 1.00 1.33 C ATOM 1334 CZ PHE A 83 -15.586 6.166 -3.515 1.00 0.44 C ATOM 0 H PHE A 83 -13.917 9.506 0.116 1.00 64.24 H new ATOM 0 HA PHE A 83 -15.061 7.164 1.309 1.00 42.20 H new ATOM 0 HB2 PHE A 83 -12.479 7.696 -0.214 1.00 1.35 H new ATOM 0 HB3 PHE A 83 -12.876 6.111 0.421 1.00 1.35 H new ATOM 0 HD1 PHE A 83 -13.742 8.626 -2.142 1.00 5.55 H new ATOM 0 HD2 PHE A 83 -14.682 4.764 -0.589 1.00 55.52 H new ATOM 0 HE1 PHE A 83 -15.042 8.126 -4.163 1.00 73.35 H new ATOM 0 HE2 PHE A 83 -15.970 4.267 -2.617 1.00 1.33 H new ATOM 0 HZ PHE A 83 -16.156 5.946 -4.406 1.00 0.44 H new ATOM 1344 N PHE A 84 -12.746 8.719 2.970 1.00 70.55 N ATOM 1345 CA PHE A 84 -12.109 8.799 4.307 1.00 22.23 C ATOM 1346 C PHE A 84 -13.183 8.914 5.399 1.00 11.31 C ATOM 1347 O PHE A 84 -12.999 8.443 6.520 1.00 53.40 O ATOM 1348 CB PHE A 84 -11.127 10.003 4.399 1.00 54.43 C ATOM 1349 CG PHE A 84 -9.863 9.866 3.540 1.00 3.32 C ATOM 1350 CD1 PHE A 84 -9.874 10.197 2.189 1.00 11.14 C ATOM 1351 CD2 PHE A 84 -8.662 9.421 4.093 1.00 1.24 C ATOM 1352 CE1 PHE A 84 -8.733 10.093 1.414 1.00 11.30 C ATOM 1353 CE2 PHE A 84 -7.522 9.310 3.316 1.00 31.15 C ATOM 1354 CZ PHE A 84 -7.558 9.647 1.979 1.00 41.34 C ATOM 0 H PHE A 84 -12.696 9.587 2.436 1.00 70.55 H new ATOM 0 HA PHE A 84 -11.536 7.884 4.458 1.00 22.23 H new ATOM 0 HB2 PHE A 84 -11.655 10.909 4.102 1.00 54.43 H new ATOM 0 HB3 PHE A 84 -10.830 10.134 5.440 1.00 54.43 H new ATOM 0 HD1 PHE A 84 -10.792 10.542 1.736 1.00 11.14 H new ATOM 0 HD2 PHE A 84 -8.621 9.160 5.140 1.00 1.24 H new ATOM 0 HE1 PHE A 84 -8.763 10.361 0.368 1.00 11.30 H new ATOM 0 HE2 PHE A 84 -6.601 8.958 3.758 1.00 31.15 H new ATOM 0 HZ PHE A 84 -6.666 9.561 1.376 1.00 41.34 H new ATOM 1364 N GLU A 85 -14.310 9.540 5.045 1.00 10.32 N ATOM 1365 CA GLU A 85 -15.430 9.795 5.967 1.00 43.50 C ATOM 1366 C GLU A 85 -16.524 8.717 5.839 1.00 24.04 C ATOM 1367 O GLU A 85 -17.612 8.884 6.394 1.00 43.04 O ATOM 1368 CB GLU A 85 -16.029 11.178 5.641 1.00 60.23 C ATOM 1369 CG GLU A 85 -15.007 12.328 5.598 1.00 13.55 C ATOM 1370 CD GLU A 85 -15.618 13.618 5.052 1.00 44.33 C ATOM 1371 OE1 GLU A 85 -15.912 13.665 3.841 1.00 54.03 O ATOM 1372 OE2 GLU A 85 -15.818 14.588 5.820 1.00 0.02 O ATOM 0 H GLU A 85 -14.476 9.889 4.101 1.00 10.32 H new ATOM 0 HA GLU A 85 -15.054 9.768 6.990 1.00 43.50 H new ATOM 0 HB2 GLU A 85 -16.533 11.122 4.676 1.00 60.23 H new ATOM 0 HB3 GLU A 85 -16.790 11.414 6.385 1.00 60.23 H new ATOM 0 HG2 GLU A 85 -14.620 12.507 6.601 1.00 13.55 H new ATOM 0 HG3 GLU A 85 -14.160 12.037 4.977 1.00 13.55 H new ATOM 1444 N ARG A 90 -17.333 1.537 5.709 1.00 12.34 N ATOM 1445 CA ARG A 90 -16.006 1.625 6.324 1.00 33.32 C ATOM 1446 C ARG A 90 -15.118 2.427 5.359 1.00 45.45 C ATOM 1447 O ARG A 90 -15.296 2.279 4.135 1.00 54.13 O ATOM 1448 CB ARG A 90 -15.397 0.203 6.584 1.00 62.12 C ATOM 1449 CG ARG A 90 -14.164 0.210 7.512 1.00 44.11 C ATOM 1450 CD ARG A 90 -13.651 -1.192 7.878 1.00 22.21 C ATOM 1451 NE ARG A 90 -12.680 -1.126 8.981 1.00 4.23 N ATOM 1452 CZ ARG A 90 -12.939 -1.444 10.256 1.00 64.33 C ATOM 1453 NH1 ARG A 90 -14.150 -1.849 10.631 1.00 42.33 N ATOM 1454 NH2 ARG A 90 -11.989 -1.312 11.159 1.00 1.03 N ATOM 0 HA ARG A 90 -16.072 2.115 7.295 1.00 33.32 H new ATOM 0 HB2 ARG A 90 -16.165 -0.436 7.021 1.00 62.12 H new ATOM 0 HB3 ARG A 90 -15.118 -0.242 5.629 1.00 62.12 H new ATOM 0 HG2 ARG A 90 -13.360 0.765 7.028 1.00 44.11 H new ATOM 0 HG3 ARG A 90 -14.414 0.745 8.428 1.00 44.11 H new ATOM 0 HD2 ARG A 90 -14.490 -1.827 8.164 1.00 22.21 H new ATOM 0 HD3 ARG A 90 -13.186 -1.652 7.006 1.00 22.21 H new ATOM 0 HE ARG A 90 -11.735 -0.813 8.757 1.00 4.23 H new ATOM 0 HH11 ARG A 90 -14.899 -1.921 9.943 1.00 42.33 H new ATOM 0 HH12 ARG A 90 -14.329 -2.087 11.607 1.00 42.33 H new ATOM 0 HH21 ARG A 90 -11.068 -0.971 10.884 1.00 1.03 H new ATOM 0 HH22 ARG A 90 -12.175 -1.551 12.133 1.00 1.03 H new ATOM 1468 N PRO A 91 -14.190 3.317 5.857 1.00 42.33 N ATOM 1469 CA PRO A 91 -13.275 4.068 4.977 1.00 30.32 C ATOM 1470 C PRO A 91 -12.477 3.144 4.030 1.00 34.10 C ATOM 1471 O PRO A 91 -11.663 2.337 4.477 1.00 70.24 O ATOM 1472 CB PRO A 91 -12.356 4.838 5.958 1.00 21.04 C ATOM 1473 CG PRO A 91 -13.157 4.959 7.219 1.00 5.01 C ATOM 1474 CD PRO A 91 -13.978 3.687 7.291 1.00 52.15 C ATOM 0 HA PRO A 91 -13.810 4.736 4.302 1.00 30.32 H new ATOM 0 HB2 PRO A 91 -11.424 4.300 6.132 1.00 21.04 H new ATOM 0 HB3 PRO A 91 -12.089 5.818 5.563 1.00 21.04 H new ATOM 0 HG2 PRO A 91 -12.509 5.059 8.089 1.00 5.01 H new ATOM 0 HG3 PRO A 91 -13.798 5.841 7.196 1.00 5.01 H new ATOM 0 HD2 PRO A 91 -13.452 2.901 7.833 1.00 52.15 H new ATOM 0 HD3 PRO A 91 -14.925 3.851 7.806 1.00 52.15 H new ATOM 1482 N VAL A 92 -12.813 3.222 2.727 1.00 1.22 N ATOM 1483 CA VAL A 92 -12.070 2.537 1.650 1.00 0.33 C ATOM 1484 C VAL A 92 -10.688 3.199 1.497 1.00 40.12 C ATOM 1485 O VAL A 92 -9.679 2.539 1.262 1.00 63.01 O ATOM 1486 CB VAL A 92 -12.867 2.591 0.287 1.00 14.43 C ATOM 1487 CG1 VAL A 92 -12.111 1.866 -0.857 1.00 72.14 C ATOM 1488 CG2 VAL A 92 -14.300 2.021 0.468 1.00 25.54 C ATOM 0 H VAL A 92 -13.609 3.763 2.391 1.00 1.22 H new ATOM 0 HA VAL A 92 -11.945 1.487 1.914 1.00 0.33 H new ATOM 0 HB VAL A 92 -12.950 3.638 -0.004 1.00 14.43 H new ATOM 0 HG11 VAL A 92 -12.695 1.928 -1.775 1.00 72.14 H new ATOM 0 HG12 VAL A 92 -11.142 2.341 -1.011 1.00 72.14 H new ATOM 0 HG13 VAL A 92 -11.964 0.819 -0.590 1.00 72.14 H new ATOM 0 HG21 VAL A 92 -14.833 2.067 -0.482 1.00 25.54 H new ATOM 0 HG22 VAL A 92 -14.240 0.985 0.801 1.00 25.54 H new ATOM 0 HG23 VAL A 92 -14.835 2.611 1.213 1.00 25.54 H new ATOM 1498 N PHE A 93 -10.695 4.535 1.636 1.00 30.23 N ATOM 1499 CA PHE A 93 -9.494 5.373 1.679 1.00 13.20 C ATOM 1500 C PHE A 93 -9.213 5.722 3.152 1.00 13.04 C ATOM 1501 O PHE A 93 -10.008 6.417 3.781 1.00 11.14 O ATOM 1502 CB PHE A 93 -9.708 6.669 0.845 1.00 12.35 C ATOM 1503 CG PHE A 93 -9.758 6.497 -0.686 1.00 33.33 C ATOM 1504 CD1 PHE A 93 -10.495 5.475 -1.292 1.00 12.43 C ATOM 1505 CD2 PHE A 93 -9.072 7.382 -1.518 1.00 43.13 C ATOM 1506 CE1 PHE A 93 -10.540 5.342 -2.667 1.00 35.12 C ATOM 1507 CE2 PHE A 93 -9.118 7.246 -2.895 1.00 74.23 C ATOM 1508 CZ PHE A 93 -9.849 6.227 -3.466 1.00 10.14 C ATOM 0 H PHE A 93 -11.558 5.071 1.723 1.00 30.23 H new ATOM 0 HA PHE A 93 -8.646 4.839 1.251 1.00 13.20 H new ATOM 0 HB2 PHE A 93 -10.640 7.133 1.167 1.00 12.35 H new ATOM 0 HB3 PHE A 93 -8.905 7.366 1.085 1.00 12.35 H new ATOM 0 HD1 PHE A 93 -11.039 4.776 -0.674 1.00 12.43 H new ATOM 0 HD2 PHE A 93 -8.497 8.185 -1.082 1.00 43.13 H new ATOM 0 HE1 PHE A 93 -11.116 4.546 -3.115 1.00 35.12 H new ATOM 0 HE2 PHE A 93 -8.580 7.940 -3.523 1.00 74.23 H new ATOM 0 HZ PHE A 93 -9.880 6.122 -4.540 1.00 10.14 H new ATOM 1518 N VAL A 94 -8.108 5.203 3.701 1.00 23.32 N ATOM 1519 CA VAL A 94 -7.726 5.399 5.120 1.00 22.55 C ATOM 1520 C VAL A 94 -6.371 6.129 5.196 1.00 11.34 C ATOM 1521 O VAL A 94 -5.600 6.099 4.233 1.00 74.31 O ATOM 1522 CB VAL A 94 -7.628 4.010 5.867 1.00 73.41 C ATOM 1523 CG1 VAL A 94 -7.320 4.187 7.364 1.00 74.31 C ATOM 1524 CG2 VAL A 94 -8.912 3.180 5.681 1.00 14.24 C ATOM 0 H VAL A 94 -7.445 4.631 3.177 1.00 23.32 H new ATOM 0 HA VAL A 94 -8.492 6.002 5.608 1.00 22.55 H new ATOM 0 HB VAL A 94 -6.798 3.467 5.414 1.00 73.41 H new ATOM 0 HG11 VAL A 94 -7.261 3.209 7.841 1.00 74.31 H new ATOM 0 HG12 VAL A 94 -6.369 4.706 7.481 1.00 74.31 H new ATOM 0 HG13 VAL A 94 -8.112 4.772 7.832 1.00 74.31 H new ATOM 0 HG21 VAL A 94 -8.811 2.231 6.207 1.00 14.24 H new ATOM 0 HG22 VAL A 94 -9.762 3.730 6.084 1.00 14.24 H new ATOM 0 HG23 VAL A 94 -9.072 2.991 4.620 1.00 14.24 H new ATOM 1534 N LYS A 95 -6.105 6.798 6.340 1.00 64.04 N ATOM 1535 CA LYS A 95 -4.804 7.428 6.629 1.00 1.41 C ATOM 1536 C LYS A 95 -4.530 7.500 8.143 1.00 50.14 C ATOM 1537 O LYS A 95 -5.389 7.154 8.969 1.00 4.44 O ATOM 1538 CB LYS A 95 -4.730 8.840 6.019 1.00 65.42 C ATOM 1539 CG LYS A 95 -5.759 9.855 6.573 1.00 40.04 C ATOM 1540 CD LYS A 95 -5.482 11.291 6.067 1.00 53.25 C ATOM 1541 CE LYS A 95 -4.145 11.839 6.593 1.00 73.55 C ATOM 1542 NZ LYS A 95 -3.817 13.160 6.010 1.00 4.32 N ATOM 0 H LYS A 95 -6.789 6.915 7.087 1.00 64.04 H new ATOM 0 HA LYS A 95 -4.037 6.802 6.173 1.00 1.41 H new ATOM 0 HB2 LYS A 95 -3.728 9.237 6.184 1.00 65.42 H new ATOM 0 HB3 LYS A 95 -4.868 8.760 4.941 1.00 65.42 H new ATOM 0 HG2 LYS A 95 -6.763 9.553 6.276 1.00 40.04 H new ATOM 0 HG3 LYS A 95 -5.731 9.842 7.663 1.00 40.04 H new ATOM 0 HD2 LYS A 95 -5.472 11.296 4.977 1.00 53.25 H new ATOM 0 HD3 LYS A 95 -6.292 11.949 6.381 1.00 53.25 H new ATOM 0 HE2 LYS A 95 -4.190 11.923 7.679 1.00 73.55 H new ATOM 0 HE3 LYS A 95 -3.348 11.133 6.361 1.00 73.55 H new ATOM 0 HZ1 LYS A 95 -3.132 13.649 6.621 1.00 4.32 H new ATOM 0 HZ2 LYS A 95 -3.405 13.029 5.064 1.00 4.32 H new ATOM 0 HZ3 LYS A 95 -4.683 13.731 5.934 1.00 4.32 H new ATOM 1556 N GLY A 96 -3.307 7.950 8.474 1.00 65.35 N ATOM 1557 CA GLY A 96 -2.870 8.178 9.853 1.00 44.11 C ATOM 1558 C GLY A 96 -1.478 7.616 10.075 1.00 44.44 C ATOM 1559 O GLY A 96 -0.658 7.633 9.159 1.00 41.14 O ATOM 0 H GLY A 96 -2.591 8.166 7.781 1.00 65.35 H new ATOM 0 HA2 GLY A 96 -2.875 9.246 10.069 1.00 44.11 H new ATOM 0 HA3 GLY A 96 -3.571 7.710 10.544 1.00 44.11 H new ATOM 1563 N SER A 97 -1.204 7.131 11.296 1.00 70.12 N ATOM 1564 CA SER A 97 0.017 6.360 11.601 1.00 55.43 C ATOM 1565 C SER A 97 -0.098 4.958 10.970 1.00 34.14 C ATOM 1566 O SER A 97 -1.148 4.612 10.419 1.00 24.24 O ATOM 1567 CB SER A 97 0.210 6.279 13.142 1.00 34.32 C ATOM 1568 OG SER A 97 1.416 5.618 13.499 1.00 53.22 O ATOM 0 H SER A 97 -1.819 7.260 12.099 1.00 70.12 H new ATOM 0 HA SER A 97 0.892 6.854 11.179 1.00 55.43 H new ATOM 0 HB2 SER A 97 0.213 7.286 13.559 1.00 34.32 H new ATOM 0 HB3 SER A 97 -0.635 5.753 13.585 1.00 34.32 H new ATOM 0 HG SER A 97 1.498 5.591 14.475 1.00 53.22 H new ATOM 1574 N LEU A 98 0.973 4.153 11.053 1.00 21.41 N ATOM 1575 CA LEU A 98 0.977 2.788 10.496 1.00 1.33 C ATOM 1576 C LEU A 98 -0.088 1.920 11.195 1.00 0.32 C ATOM 1577 O LEU A 98 -0.912 1.276 10.529 1.00 74.25 O ATOM 1578 CB LEU A 98 2.382 2.149 10.635 1.00 4.32 C ATOM 1579 CG LEU A 98 2.524 0.682 10.114 1.00 64.43 C ATOM 1580 CD1 LEU A 98 2.161 0.573 8.617 1.00 15.41 C ATOM 1581 CD2 LEU A 98 3.933 0.124 10.398 1.00 11.43 C ATOM 0 H LEU A 98 1.849 4.423 11.501 1.00 21.41 H new ATOM 0 HA LEU A 98 0.732 2.845 9.435 1.00 1.33 H new ATOM 0 HB2 LEU A 98 3.098 2.774 10.101 1.00 4.32 H new ATOM 0 HB3 LEU A 98 2.665 2.168 11.687 1.00 4.32 H new ATOM 0 HG LEU A 98 1.810 0.068 10.663 1.00 64.43 H new ATOM 0 HD11 LEU A 98 2.271 -0.461 8.290 1.00 15.41 H new ATOM 0 HD12 LEU A 98 1.129 0.892 8.469 1.00 15.41 H new ATOM 0 HD13 LEU A 98 2.826 1.211 8.034 1.00 15.41 H new ATOM 0 HD21 LEU A 98 4.002 -0.898 10.024 1.00 11.43 H new ATOM 0 HD22 LEU A 98 4.677 0.744 9.898 1.00 11.43 H new ATOM 0 HD23 LEU A 98 4.117 0.131 11.472 1.00 11.43 H new ATOM 1593 N GLU A 99 -0.083 1.955 12.539 1.00 14.54 N ATOM 1594 CA GLU A 99 -1.035 1.186 13.356 1.00 65.44 C ATOM 1595 C GLU A 99 -2.446 1.793 13.253 1.00 21.51 C ATOM 1596 O GLU A 99 -3.414 1.060 13.119 1.00 3.01 O ATOM 1597 CB GLU A 99 -0.607 1.105 14.849 1.00 75.42 C ATOM 1598 CG GLU A 99 0.826 0.578 15.103 1.00 31.44 C ATOM 1599 CD GLU A 99 1.904 1.660 14.949 1.00 33.41 C ATOM 1600 OE1 GLU A 99 2.022 2.511 15.858 1.00 63.44 O ATOM 1601 OE2 GLU A 99 2.621 1.679 13.932 1.00 55.32 O ATOM 0 H GLU A 99 0.575 2.512 13.084 1.00 14.54 H new ATOM 0 HA GLU A 99 -1.042 0.171 12.959 1.00 65.44 H new ATOM 0 HB2 GLU A 99 -0.693 2.099 15.288 1.00 75.42 H new ATOM 0 HB3 GLU A 99 -1.311 0.461 15.376 1.00 75.42 H new ATOM 0 HG2 GLU A 99 0.880 0.161 16.109 1.00 31.44 H new ATOM 0 HG3 GLU A 99 1.035 -0.236 14.409 1.00 31.44 H new ATOM 1608 N SER A 100 -2.527 3.149 13.285 1.00 20.40 N ATOM 1609 CA SER A 100 -3.807 3.894 13.201 1.00 42.44 C ATOM 1610 C SER A 100 -4.591 3.537 11.923 1.00 73.41 C ATOM 1611 O SER A 100 -5.764 3.136 11.984 1.00 70.31 O ATOM 1612 CB SER A 100 -3.554 5.423 13.248 1.00 42.01 C ATOM 1613 OG SER A 100 -2.890 5.805 14.436 1.00 71.11 O ATOM 0 H SER A 100 -1.709 3.753 13.369 1.00 20.40 H new ATOM 0 HA SER A 100 -4.407 3.601 14.062 1.00 42.44 H new ATOM 0 HB2 SER A 100 -2.957 5.720 12.386 1.00 42.01 H new ATOM 0 HB3 SER A 100 -4.504 5.952 13.176 1.00 42.01 H new ATOM 0 HG SER A 100 -2.745 6.774 14.432 1.00 71.11 H new ATOM 1619 N ALA A 101 -3.902 3.659 10.772 1.00 53.40 N ATOM 1620 CA ALA A 101 -4.470 3.374 9.446 1.00 72.32 C ATOM 1621 C ALA A 101 -4.893 1.898 9.326 1.00 62.11 C ATOM 1622 O ALA A 101 -5.839 1.573 8.607 1.00 2.14 O ATOM 1623 CB ALA A 101 -3.466 3.756 8.342 1.00 74.40 C ATOM 0 H ALA A 101 -2.928 3.961 10.739 1.00 53.40 H new ATOM 0 HA ALA A 101 -5.367 3.981 9.320 1.00 72.32 H new ATOM 0 HB1 ALA A 101 -3.899 3.540 7.365 1.00 74.40 H new ATOM 0 HB2 ALA A 101 -3.237 4.820 8.410 1.00 74.40 H new ATOM 0 HB3 ALA A 101 -2.550 3.179 8.468 1.00 74.40 H new ATOM 1629 N ALA A 102 -4.197 1.018 10.069 1.00 55.10 N ATOM 1630 CA ALA A 102 -4.476 -0.425 10.092 1.00 21.12 C ATOM 1631 C ALA A 102 -5.806 -0.726 10.807 1.00 24.33 C ATOM 1632 O ALA A 102 -6.626 -1.506 10.311 1.00 64.22 O ATOM 1633 CB ALA A 102 -3.330 -1.152 10.791 1.00 30.21 C ATOM 0 H ALA A 102 -3.422 1.292 10.673 1.00 55.10 H new ATOM 0 HA ALA A 102 -4.563 -0.777 9.064 1.00 21.12 H new ATOM 0 HB1 ALA A 102 -3.535 -2.222 10.809 1.00 30.21 H new ATOM 0 HB2 ALA A 102 -2.401 -0.970 10.251 1.00 30.21 H new ATOM 0 HB3 ALA A 102 -3.235 -0.784 11.812 1.00 30.21 H new ATOM 1639 N GLU A 103 -5.997 -0.073 11.973 1.00 71.42 N ATOM 1640 CA GLU A 103 -7.204 -0.223 12.822 1.00 73.43 C ATOM 1641 C GLU A 103 -8.465 0.216 12.057 1.00 12.24 C ATOM 1642 O GLU A 103 -9.469 -0.498 12.027 1.00 55.33 O ATOM 1643 CB GLU A 103 -7.044 0.622 14.120 1.00 32.14 C ATOM 1644 CG GLU A 103 -5.794 0.274 14.948 1.00 61.25 C ATOM 1645 CD GLU A 103 -5.576 1.219 16.134 1.00 51.22 C ATOM 1646 OE1 GLU A 103 -5.189 2.382 15.903 1.00 24.40 O ATOM 1647 OE2 GLU A 103 -5.809 0.820 17.296 1.00 44.43 O ATOM 0 H GLU A 103 -5.313 0.579 12.357 1.00 71.42 H new ATOM 0 HA GLU A 103 -7.314 -1.274 13.089 1.00 73.43 H new ATOM 0 HB2 GLU A 103 -7.006 1.678 13.851 1.00 32.14 H new ATOM 0 HB3 GLU A 103 -7.928 0.484 14.742 1.00 32.14 H new ATOM 0 HG2 GLU A 103 -5.883 -0.748 15.317 1.00 61.25 H new ATOM 0 HG3 GLU A 103 -4.917 0.304 14.301 1.00 61.25 H new ATOM 1654 N GLN A 104 -8.354 1.387 11.405 1.00 71.03 N ATOM 1655 CA GLN A 104 -9.456 2.015 10.651 1.00 73.03 C ATOM 1656 C GLN A 104 -9.780 1.243 9.356 1.00 11.20 C ATOM 1657 O GLN A 104 -10.939 1.198 8.934 1.00 34.24 O ATOM 1658 CB GLN A 104 -9.097 3.491 10.344 1.00 13.30 C ATOM 1659 CG GLN A 104 -8.869 4.364 11.591 1.00 51.10 C ATOM 1660 CD GLN A 104 -8.315 5.744 11.243 1.00 62.51 C ATOM 1661 OE1 GLN A 104 -9.062 6.695 11.016 1.00 64.01 O ATOM 1662 NE2 GLN A 104 -6.998 5.858 11.176 1.00 3.31 N ATOM 0 H GLN A 104 -7.490 1.929 11.386 1.00 71.03 H new ATOM 0 HA GLN A 104 -10.355 1.984 11.267 1.00 73.03 H new ATOM 0 HB2 GLN A 104 -8.196 3.513 9.731 1.00 13.30 H new ATOM 0 HB3 GLN A 104 -9.898 3.931 9.749 1.00 13.30 H new ATOM 0 HG2 GLN A 104 -9.811 4.478 12.128 1.00 51.10 H new ATOM 0 HG3 GLN A 104 -8.178 3.857 12.264 1.00 51.10 H new ATOM 0 HE21 GLN A 104 -6.406 5.051 11.370 1.00 3.31 H new ATOM 0 HE22 GLN A 104 -6.575 6.753 10.930 1.00 3.31 H new ATOM 1671 N ALA A 105 -8.752 0.624 8.745 1.00 25.12 N ATOM 1672 CA ALA A 105 -8.921 -0.209 7.532 1.00 11.33 C ATOM 1673 C ALA A 105 -9.382 -1.633 7.891 1.00 71.42 C ATOM 1674 O ALA A 105 -9.869 -2.365 7.026 1.00 12.34 O ATOM 1675 CB ALA A 105 -7.614 -0.254 6.730 1.00 23.44 C ATOM 0 H ALA A 105 -7.788 0.684 9.072 1.00 25.12 H new ATOM 0 HA ALA A 105 -9.696 0.247 6.916 1.00 11.33 H new ATOM 0 HB1 ALA A 105 -7.753 -0.870 5.841 1.00 23.44 H new ATOM 0 HB2 ALA A 105 -7.336 0.757 6.431 1.00 23.44 H new ATOM 0 HB3 ALA A 105 -6.823 -0.681 7.347 1.00 23.44 H new ATOM 1681 N GLY A 106 -9.207 -2.018 9.173 1.00 22.33 N ATOM 1682 CA GLY A 106 -9.619 -3.339 9.660 1.00 14.21 C ATOM 1683 C GLY A 106 -8.708 -4.456 9.164 1.00 53.32 C ATOM 1684 O GLY A 106 -9.176 -5.511 8.722 1.00 10.13 O ATOM 0 H GLY A 106 -8.781 -1.426 9.886 1.00 22.33 H new ATOM 0 HA2 GLY A 106 -9.623 -3.335 10.750 1.00 14.21 H new ATOM 0 HA3 GLY A 106 -10.641 -3.539 9.338 1.00 14.21 H new ATOM 1688 N ILE A 107 -7.398 -4.187 9.215 1.00 3.10 N ATOM 1689 CA ILE A 107 -6.331 -5.142 8.849 1.00 41.24 C ATOM 1690 C ILE A 107 -5.577 -5.550 10.128 1.00 0.32 C ATOM 1691 O ILE A 107 -5.591 -4.793 11.111 1.00 32.04 O ATOM 1692 CB ILE A 107 -5.302 -4.488 7.848 1.00 32.31 C ATOM 1693 CG1 ILE A 107 -6.016 -3.681 6.736 1.00 64.33 C ATOM 1694 CG2 ILE A 107 -4.382 -5.551 7.211 1.00 34.01 C ATOM 1695 CD1 ILE A 107 -5.061 -2.947 5.818 1.00 3.00 C ATOM 0 H ILE A 107 -7.037 -3.282 9.517 1.00 3.10 H new ATOM 0 HA ILE A 107 -6.787 -6.007 8.367 1.00 41.24 H new ATOM 0 HB ILE A 107 -4.691 -3.801 8.434 1.00 32.31 H new ATOM 0 HG12 ILE A 107 -6.630 -4.359 6.143 1.00 64.33 H new ATOM 0 HG13 ILE A 107 -6.691 -2.960 7.197 1.00 64.33 H new ATOM 0 HG21 ILE A 107 -3.685 -5.066 6.527 1.00 34.01 H new ATOM 0 HG22 ILE A 107 -3.824 -6.065 7.993 1.00 34.01 H new ATOM 0 HG23 ILE A 107 -4.986 -6.273 6.662 1.00 34.01 H new ATOM 0 HD11 ILE A 107 -5.628 -2.403 5.063 1.00 3.00 H new ATOM 0 HD12 ILE A 107 -4.464 -2.245 6.400 1.00 3.00 H new ATOM 0 HD13 ILE A 107 -4.402 -3.665 5.329 1.00 3.00 H new ATOM 1707 N VAL A 108 -4.905 -6.718 10.118 1.00 32.41 N ATOM 1708 CA VAL A 108 -4.090 -7.147 11.257 1.00 12.11 C ATOM 1709 C VAL A 108 -2.827 -6.258 11.347 1.00 43.42 C ATOM 1710 O VAL A 108 -1.894 -6.368 10.520 1.00 34.34 O ATOM 1711 CB VAL A 108 -3.707 -8.667 11.204 1.00 12.44 C ATOM 1712 CG1 VAL A 108 -2.975 -9.098 12.495 1.00 10.44 C ATOM 1713 CG2 VAL A 108 -4.948 -9.552 10.929 1.00 3.43 C ATOM 0 H VAL A 108 -4.914 -7.373 9.336 1.00 32.41 H new ATOM 0 HA VAL A 108 -4.693 -7.026 12.157 1.00 12.11 H new ATOM 0 HB VAL A 108 -3.018 -8.810 10.371 1.00 12.44 H new ATOM 0 HG11 VAL A 108 -2.720 -10.156 12.433 1.00 10.44 H new ATOM 0 HG12 VAL A 108 -2.063 -8.512 12.609 1.00 10.44 H new ATOM 0 HG13 VAL A 108 -3.624 -8.931 13.354 1.00 10.44 H new ATOM 0 HG21 VAL A 108 -4.648 -10.600 10.898 1.00 3.43 H new ATOM 0 HG22 VAL A 108 -5.681 -9.407 11.723 1.00 3.43 H new ATOM 0 HG23 VAL A 108 -5.389 -9.273 9.972 1.00 3.43 H new ATOM 1723 N VAL A 109 -2.858 -5.362 12.352 1.00 34.22 N ATOM 1724 CA VAL A 109 -1.802 -4.373 12.643 1.00 61.44 C ATOM 1725 C VAL A 109 -0.427 -5.059 12.756 1.00 0.35 C ATOM 1726 O VAL A 109 0.537 -4.638 12.122 1.00 1.14 O ATOM 1727 CB VAL A 109 -2.123 -3.597 13.985 1.00 62.34 C ATOM 1728 CG1 VAL A 109 -1.043 -2.539 14.311 1.00 34.42 C ATOM 1729 CG2 VAL A 109 -3.539 -2.964 13.950 1.00 20.21 C ATOM 0 H VAL A 109 -3.641 -5.305 13.003 1.00 34.22 H new ATOM 0 HA VAL A 109 -1.772 -3.661 11.818 1.00 61.44 H new ATOM 0 HB VAL A 109 -2.109 -4.332 14.790 1.00 62.34 H new ATOM 0 HG11 VAL A 109 -1.301 -2.029 15.239 1.00 34.42 H new ATOM 0 HG12 VAL A 109 -0.076 -3.029 14.423 1.00 34.42 H new ATOM 0 HG13 VAL A 109 -0.990 -1.812 13.501 1.00 34.42 H new ATOM 0 HG21 VAL A 109 -3.726 -2.439 14.887 1.00 20.21 H new ATOM 0 HG22 VAL A 109 -3.602 -2.260 13.121 1.00 20.21 H new ATOM 0 HG23 VAL A 109 -4.285 -3.748 13.818 1.00 20.21 H new ATOM 1739 N ASP A 110 -0.409 -6.160 13.529 1.00 70.44 N ATOM 1740 CA ASP A 110 0.782 -6.979 13.802 1.00 51.23 C ATOM 1741 C ASP A 110 1.490 -7.401 12.502 1.00 51.10 C ATOM 1742 O ASP A 110 2.713 -7.247 12.376 1.00 33.30 O ATOM 1743 CB ASP A 110 0.364 -8.236 14.622 1.00 34.22 C ATOM 1744 CG ASP A 110 1.521 -9.220 14.870 1.00 55.41 C ATOM 1745 OD1 ASP A 110 2.335 -8.980 15.780 1.00 15.11 O ATOM 1746 OD2 ASP A 110 1.618 -10.236 14.157 1.00 43.51 O ATOM 0 H ASP A 110 -1.246 -6.513 13.993 1.00 70.44 H new ATOM 0 HA ASP A 110 1.488 -6.380 14.377 1.00 51.23 H new ATOM 0 HB2 ASP A 110 -0.042 -7.916 15.582 1.00 34.22 H new ATOM 0 HB3 ASP A 110 -0.437 -8.754 14.094 1.00 34.22 H new ATOM 1751 N GLU A 111 0.687 -7.895 11.531 1.00 14.35 N ATOM 1752 CA GLU A 111 1.210 -8.397 10.250 1.00 40.41 C ATOM 1753 C GLU A 111 1.870 -7.273 9.441 1.00 25.02 C ATOM 1754 O GLU A 111 3.037 -7.398 9.061 1.00 43.03 O ATOM 1755 CB GLU A 111 0.113 -9.087 9.401 1.00 40.25 C ATOM 1756 CG GLU A 111 -0.506 -10.350 10.031 1.00 14.13 C ATOM 1757 CD GLU A 111 0.523 -11.433 10.386 1.00 70.20 C ATOM 1758 OE1 GLU A 111 1.337 -11.808 9.521 1.00 74.12 O ATOM 1759 OE2 GLU A 111 0.527 -11.918 11.534 1.00 1.40 O ATOM 0 H GLU A 111 -0.328 -7.954 11.616 1.00 14.35 H new ATOM 0 HA GLU A 111 1.964 -9.145 10.494 1.00 40.41 H new ATOM 0 HB2 GLU A 111 -0.683 -8.367 9.211 1.00 40.25 H new ATOM 0 HB3 GLU A 111 0.539 -9.354 8.434 1.00 40.25 H new ATOM 0 HG2 GLU A 111 -1.047 -10.067 10.934 1.00 14.13 H new ATOM 0 HG3 GLU A 111 -1.237 -10.769 9.339 1.00 14.13 H new ATOM 1766 N LEU A 112 1.128 -6.166 9.205 1.00 20.30 N ATOM 1767 CA LEU A 112 1.629 -5.058 8.349 1.00 3.41 C ATOM 1768 C LEU A 112 2.773 -4.259 8.997 1.00 33.04 C ATOM 1769 O LEU A 112 3.553 -3.631 8.293 1.00 53.30 O ATOM 1770 CB LEU A 112 0.467 -4.138 7.879 1.00 54.42 C ATOM 1771 CG LEU A 112 -0.487 -3.557 8.982 1.00 71.12 C ATOM 1772 CD1 LEU A 112 0.108 -2.336 9.725 1.00 62.33 C ATOM 1773 CD2 LEU A 112 -1.867 -3.225 8.387 1.00 73.24 C ATOM 0 H LEU A 112 0.195 -6.014 9.587 1.00 20.30 H new ATOM 0 HA LEU A 112 2.063 -5.524 7.464 1.00 3.41 H new ATOM 0 HB2 LEU A 112 0.901 -3.300 7.334 1.00 54.42 H new ATOM 0 HB3 LEU A 112 -0.141 -4.699 7.170 1.00 54.42 H new ATOM 0 HG LEU A 112 -0.605 -4.338 9.733 1.00 71.12 H new ATOM 0 HD11 LEU A 112 -0.602 -1.984 10.473 1.00 62.33 H new ATOM 0 HD12 LEU A 112 1.038 -2.626 10.215 1.00 62.33 H new ATOM 0 HD13 LEU A 112 0.308 -1.537 9.011 1.00 62.33 H new ATOM 0 HD21 LEU A 112 -2.513 -2.824 9.168 1.00 73.24 H new ATOM 0 HD22 LEU A 112 -1.753 -2.485 7.595 1.00 73.24 H new ATOM 0 HD23 LEU A 112 -2.314 -4.131 7.977 1.00 73.24 H new ATOM 1785 N VAL A 113 2.868 -4.302 10.335 1.00 64.15 N ATOM 1786 CA VAL A 113 3.986 -3.678 11.080 1.00 43.31 C ATOM 1787 C VAL A 113 5.288 -4.437 10.794 1.00 11.51 C ATOM 1788 O VAL A 113 6.326 -3.817 10.551 1.00 60.30 O ATOM 1789 CB VAL A 113 3.707 -3.579 12.639 1.00 41.04 C ATOM 1790 CG1 VAL A 113 4.993 -3.256 13.452 1.00 42.42 C ATOM 1791 CG2 VAL A 113 2.614 -2.517 12.922 1.00 5.52 C ATOM 0 H VAL A 113 2.182 -4.764 10.931 1.00 64.15 H new ATOM 0 HA VAL A 113 4.084 -2.651 10.728 1.00 43.31 H new ATOM 0 HB VAL A 113 3.356 -4.558 12.966 1.00 41.04 H new ATOM 0 HG11 VAL A 113 4.748 -3.199 14.513 1.00 42.42 H new ATOM 0 HG12 VAL A 113 5.732 -4.041 13.292 1.00 42.42 H new ATOM 0 HG13 VAL A 113 5.402 -2.301 13.122 1.00 42.42 H new ATOM 0 HG21 VAL A 113 2.432 -2.459 13.995 1.00 5.52 H new ATOM 0 HG22 VAL A 113 2.948 -1.545 12.558 1.00 5.52 H new ATOM 0 HG23 VAL A 113 1.692 -2.799 12.413 1.00 5.52 H new ATOM 1801 N GLN A 114 5.204 -5.787 10.770 1.00 75.30 N ATOM 1802 CA GLN A 114 6.358 -6.649 10.431 1.00 23.14 C ATOM 1803 C GLN A 114 6.735 -6.435 8.964 1.00 2.30 C ATOM 1804 O GLN A 114 7.891 -6.203 8.626 1.00 14.42 O ATOM 1805 CB GLN A 114 6.042 -8.147 10.678 1.00 53.11 C ATOM 1806 CG GLN A 114 5.735 -8.501 12.145 1.00 13.04 C ATOM 1807 CD GLN A 114 6.890 -8.205 13.103 1.00 45.35 C ATOM 1808 OE1 GLN A 114 7.747 -9.052 13.352 1.00 73.14 O ATOM 1809 NE2 GLN A 114 6.929 -7.002 13.642 1.00 52.22 N ATOM 0 H GLN A 114 4.349 -6.302 10.981 1.00 75.30 H new ATOM 0 HA GLN A 114 7.192 -6.373 11.077 1.00 23.14 H new ATOM 0 HB2 GLN A 114 5.189 -8.432 10.062 1.00 53.11 H new ATOM 0 HB3 GLN A 114 6.890 -8.744 10.343 1.00 53.11 H new ATOM 0 HG2 GLN A 114 4.855 -7.944 12.468 1.00 13.04 H new ATOM 0 HG3 GLN A 114 5.483 -9.560 12.209 1.00 13.04 H new ATOM 0 HE21 GLN A 114 6.205 -6.319 13.418 1.00 52.22 H new ATOM 0 HE22 GLN A 114 7.683 -6.755 14.283 1.00 52.22 H new ATOM 1818 N THR A 115 5.699 -6.460 8.134 1.00 32.42 N ATOM 1819 CA THR A 115 5.780 -6.289 6.687 1.00 61.54 C ATOM 1820 C THR A 115 6.472 -4.959 6.284 1.00 51.21 C ATOM 1821 O THR A 115 7.301 -4.948 5.374 1.00 4.32 O ATOM 1822 CB THR A 115 4.332 -6.390 6.118 1.00 71.33 C ATOM 1823 OG1 THR A 115 3.846 -7.733 6.293 1.00 21.40 O ATOM 1824 CG2 THR A 115 4.219 -5.995 4.657 1.00 60.13 C ATOM 0 H THR A 115 4.744 -6.605 8.462 1.00 32.42 H new ATOM 0 HA THR A 115 6.406 -7.073 6.261 1.00 61.54 H new ATOM 0 HB THR A 115 3.726 -5.676 6.676 1.00 71.33 H new ATOM 0 HG1 THR A 115 3.510 -7.843 7.207 1.00 21.40 H new ATOM 0 HG21 THR A 115 3.183 -6.091 4.333 1.00 60.13 H new ATOM 0 HG22 THR A 115 4.544 -4.962 4.533 1.00 60.13 H new ATOM 0 HG23 THR A 115 4.850 -6.648 4.054 1.00 60.13 H new ATOM 1832 N VAL A 116 6.141 -3.859 6.995 1.00 22.20 N ATOM 1833 CA VAL A 116 6.703 -2.512 6.723 1.00 64.43 C ATOM 1834 C VAL A 116 8.108 -2.343 7.332 1.00 52.24 C ATOM 1835 O VAL A 116 8.980 -1.734 6.708 1.00 22.44 O ATOM 1836 CB VAL A 116 5.736 -1.360 7.226 1.00 42.33 C ATOM 1837 CG1 VAL A 116 6.415 0.037 7.204 1.00 1.32 C ATOM 1838 CG2 VAL A 116 4.435 -1.341 6.385 1.00 24.31 C ATOM 0 H VAL A 116 5.480 -3.876 7.771 1.00 22.20 H new ATOM 0 HA VAL A 116 6.795 -2.426 5.640 1.00 64.43 H new ATOM 0 HB VAL A 116 5.490 -1.580 8.265 1.00 42.33 H new ATOM 0 HG11 VAL A 116 5.710 0.790 7.557 1.00 1.32 H new ATOM 0 HG12 VAL A 116 7.290 0.026 7.853 1.00 1.32 H new ATOM 0 HG13 VAL A 116 6.721 0.277 6.186 1.00 1.32 H new ATOM 0 HG21 VAL A 116 3.782 -0.545 6.743 1.00 24.31 H new ATOM 0 HG22 VAL A 116 4.681 -1.165 5.338 1.00 24.31 H new ATOM 0 HG23 VAL A 116 3.925 -2.299 6.482 1.00 24.31 H new ATOM 1848 N LYS A 117 8.341 -2.893 8.539 1.00 13.43 N ATOM 1849 CA LYS A 117 9.636 -2.708 9.236 1.00 42.12 C ATOM 1850 C LYS A 117 10.747 -3.539 8.582 1.00 22.54 C ATOM 1851 O LYS A 117 11.917 -3.148 8.593 1.00 54.02 O ATOM 1852 CB LYS A 117 9.521 -3.050 10.745 1.00 72.14 C ATOM 1853 CG LYS A 117 9.439 -4.555 11.100 1.00 41.12 C ATOM 1854 CD LYS A 117 9.202 -4.846 12.606 1.00 14.42 C ATOM 1855 CE LYS A 117 10.375 -4.447 13.529 1.00 22.31 C ATOM 1856 NZ LYS A 117 10.539 -2.976 13.680 1.00 15.21 N ATOM 0 H LYS A 117 7.664 -3.461 9.048 1.00 13.43 H new ATOM 0 HA LYS A 117 9.901 -1.655 9.146 1.00 42.12 H new ATOM 0 HB2 LYS A 117 10.382 -2.623 11.260 1.00 72.14 H new ATOM 0 HB3 LYS A 117 8.634 -2.555 11.142 1.00 72.14 H new ATOM 0 HG2 LYS A 117 8.633 -5.009 10.523 1.00 41.12 H new ATOM 0 HG3 LYS A 117 10.365 -5.040 10.790 1.00 41.12 H new ATOM 0 HD2 LYS A 117 8.306 -4.316 12.929 1.00 14.42 H new ATOM 0 HD3 LYS A 117 9.005 -5.911 12.730 1.00 14.42 H new ATOM 0 HE2 LYS A 117 10.219 -4.890 14.513 1.00 22.31 H new ATOM 0 HE3 LYS A 117 11.299 -4.868 13.132 1.00 22.31 H new ATOM 0 HZ1 LYS A 117 10.674 -2.743 14.685 1.00 15.21 H new ATOM 0 HZ2 LYS A 117 11.368 -2.662 13.137 1.00 15.21 H new ATOM 0 HZ3 LYS A 117 9.689 -2.494 13.324 1.00 15.21 H new ATOM 1870 N ASN A 118 10.353 -4.694 8.018 1.00 54.33 N ATOM 1871 CA ASN A 118 11.258 -5.593 7.280 1.00 32.32 C ATOM 1872 C ASN A 118 11.399 -5.113 5.840 1.00 25.43 C ATOM 1873 O ASN A 118 12.418 -5.375 5.206 1.00 31.41 O ATOM 1874 CB ASN A 118 10.749 -7.057 7.334 1.00 11.53 C ATOM 1875 CG ASN A 118 10.692 -7.600 8.766 1.00 3.41 C ATOM 1876 OD1 ASN A 118 11.542 -7.290 9.606 1.00 12.50 O ATOM 1877 ND2 ASN A 118 9.672 -8.379 9.065 1.00 63.12 N ATOM 0 H ASN A 118 9.392 -5.032 8.062 1.00 54.33 H new ATOM 0 HA ASN A 118 12.240 -5.571 7.753 1.00 32.32 H new ATOM 0 HB2 ASN A 118 9.756 -7.111 6.887 1.00 11.53 H new ATOM 0 HB3 ASN A 118 11.403 -7.689 6.734 1.00 11.53 H new ATOM 0 HD21 ASN A 118 9.569 -8.743 10.012 1.00 63.12 H new ATOM 0 HD22 ASN A 118 8.986 -8.618 8.349 1.00 63.12 H new ATOM 1884 N TYR A 119 10.370 -4.387 5.341 1.00 33.11 N ATOM 1885 CA TYR A 119 10.441 -3.684 4.049 1.00 42.13 C ATOM 1886 C TYR A 119 11.574 -2.641 4.112 1.00 2.31 C ATOM 1887 O TYR A 119 12.596 -2.765 3.424 1.00 21.10 O ATOM 1888 CB TYR A 119 9.084 -3.014 3.704 1.00 43.42 C ATOM 1889 CG TYR A 119 9.040 -2.271 2.366 1.00 31.10 C ATOM 1890 CD1 TYR A 119 9.032 -2.967 1.156 1.00 73.41 C ATOM 1891 CD2 TYR A 119 8.987 -0.879 2.310 1.00 24.15 C ATOM 1892 CE1 TYR A 119 8.967 -2.302 -0.053 1.00 4.22 C ATOM 1893 CE2 TYR A 119 8.925 -0.217 1.105 1.00 35.21 C ATOM 1894 CZ TYR A 119 8.918 -0.933 -0.076 1.00 10.04 C ATOM 1895 OH TYR A 119 8.840 -0.272 -1.284 1.00 40.34 O ATOM 0 H TYR A 119 9.477 -4.276 5.822 1.00 33.11 H new ATOM 0 HA TYR A 119 10.654 -4.402 3.257 1.00 42.13 H new ATOM 0 HB2 TYR A 119 8.310 -3.781 3.700 1.00 43.42 H new ATOM 0 HB3 TYR A 119 8.832 -2.312 4.499 1.00 43.42 H new ATOM 0 HD1 TYR A 119 9.077 -4.046 1.165 1.00 73.41 H new ATOM 0 HD2 TYR A 119 8.995 -0.310 3.228 1.00 24.15 H new ATOM 0 HE1 TYR A 119 8.955 -2.860 -0.978 1.00 4.22 H new ATOM 0 HE2 TYR A 119 8.882 0.862 1.083 1.00 35.21 H new ATOM 0 HH TYR A 119 9.203 0.633 -1.186 1.00 40.34 H new ATOM 1905 N GLN A 120 11.411 -1.674 5.031 1.00 13.11 N ATOM 1906 CA GLN A 120 12.420 -0.644 5.313 1.00 4.21 C ATOM 1907 C GLN A 120 13.736 -1.285 5.801 1.00 60.41 C ATOM 1908 O GLN A 120 14.815 -0.737 5.571 1.00 62.04 O ATOM 1909 CB GLN A 120 11.874 0.369 6.355 1.00 72.35 C ATOM 1910 CG GLN A 120 10.595 1.107 5.899 1.00 71.11 C ATOM 1911 CD GLN A 120 10.155 2.228 6.844 1.00 71.04 C ATOM 1912 OE1 GLN A 120 10.358 2.164 8.055 1.00 31.35 O ATOM 1913 NE2 GLN A 120 9.546 3.269 6.292 1.00 41.24 N ATOM 0 H GLN A 120 10.570 -1.586 5.601 1.00 13.11 H new ATOM 0 HA GLN A 120 12.635 -0.106 4.390 1.00 4.21 H new ATOM 0 HB2 GLN A 120 11.665 -0.159 7.286 1.00 72.35 H new ATOM 0 HB3 GLN A 120 12.648 1.105 6.573 1.00 72.35 H new ATOM 0 HG2 GLN A 120 10.764 1.527 4.907 1.00 71.11 H new ATOM 0 HG3 GLN A 120 9.784 0.385 5.806 1.00 71.11 H new ATOM 0 HE21 GLN A 120 9.392 3.294 5.284 1.00 41.24 H new ATOM 0 HE22 GLN A 120 9.232 4.045 6.875 1.00 41.24 H new ATOM 1922 N GLY A 121 13.609 -2.474 6.421 1.00 25.13 N ATOM 1923 CA GLY A 121 14.744 -3.265 6.881 1.00 42.41 C ATOM 1924 C GLY A 121 15.708 -3.643 5.764 1.00 25.54 C ATOM 1925 O GLY A 121 16.871 -3.242 5.801 1.00 30.54 O ATOM 0 H GLY A 121 12.706 -2.907 6.613 1.00 25.13 H new ATOM 0 HA2 GLY A 121 15.284 -2.703 7.643 1.00 42.41 H new ATOM 0 HA3 GLY A 121 14.375 -4.174 7.356 1.00 42.41 H new ATOM 1929 N TYR A 122 15.219 -4.369 4.734 1.00 44.21 N ATOM 1930 CA TYR A 122 16.091 -4.838 3.638 1.00 45.14 C ATOM 1931 C TYR A 122 16.556 -3.666 2.753 1.00 13.23 C ATOM 1932 O TYR A 122 17.621 -3.743 2.119 1.00 33.12 O ATOM 1933 CB TYR A 122 15.425 -5.964 2.789 1.00 41.44 C ATOM 1934 CG TYR A 122 14.295 -5.525 1.838 1.00 15.40 C ATOM 1935 CD1 TYR A 122 14.579 -4.990 0.585 1.00 73.24 C ATOM 1936 CD2 TYR A 122 12.957 -5.618 2.195 1.00 71.53 C ATOM 1937 CE1 TYR A 122 13.591 -4.562 -0.247 1.00 10.23 C ATOM 1938 CE2 TYR A 122 11.963 -5.175 1.347 1.00 63.25 C ATOM 1939 CZ TYR A 122 12.294 -4.647 0.135 1.00 62.51 C ATOM 1940 OH TYR A 122 11.317 -4.174 -0.699 1.00 44.51 O ATOM 0 H TYR A 122 14.240 -4.639 4.640 1.00 44.21 H new ATOM 0 HA TYR A 122 16.974 -5.278 4.103 1.00 45.14 H new ATOM 0 HB2 TYR A 122 16.201 -6.450 2.197 1.00 41.44 H new ATOM 0 HB3 TYR A 122 15.026 -6.715 3.470 1.00 41.44 H new ATOM 0 HD1 TYR A 122 15.608 -4.913 0.265 1.00 73.24 H new ATOM 0 HD2 TYR A 122 12.690 -6.044 3.151 1.00 71.53 H new ATOM 0 HE1 TYR A 122 13.842 -4.153 -1.215 1.00 10.23 H new ATOM 0 HE2 TYR A 122 10.927 -5.246 1.642 1.00 63.25 H new ATOM 0 HH TYR A 122 10.643 -3.693 -0.174 1.00 44.51 H new ATOM 1950 N VAL A 123 15.731 -2.590 2.695 1.00 22.11 N ATOM 1951 CA VAL A 123 16.087 -1.367 1.952 1.00 0.31 C ATOM 1952 C VAL A 123 17.349 -0.710 2.557 1.00 21.03 C ATOM 1953 O VAL A 123 18.266 -0.352 1.821 1.00 4.34 O ATOM 1954 CB VAL A 123 14.906 -0.321 1.878 1.00 32.51 C ATOM 1955 CG1 VAL A 123 15.353 0.976 1.149 1.00 11.04 C ATOM 1956 CG2 VAL A 123 13.657 -0.926 1.185 1.00 73.02 C ATOM 0 H VAL A 123 14.821 -2.550 3.153 1.00 22.11 H new ATOM 0 HA VAL A 123 16.296 -1.678 0.928 1.00 0.31 H new ATOM 0 HB VAL A 123 14.635 -0.065 2.902 1.00 32.51 H new ATOM 0 HG11 VAL A 123 14.520 1.678 1.113 1.00 11.04 H new ATOM 0 HG12 VAL A 123 16.186 1.428 1.688 1.00 11.04 H new ATOM 0 HG13 VAL A 123 15.667 0.733 0.134 1.00 11.04 H new ATOM 0 HG21 VAL A 123 12.863 -0.180 1.151 1.00 73.02 H new ATOM 0 HG22 VAL A 123 13.915 -1.229 0.170 1.00 73.02 H new ATOM 0 HG23 VAL A 123 13.314 -1.795 1.747 1.00 73.02 H new ATOM 1966 N GLN A 124 17.408 -0.601 3.903 1.00 25.12 N ATOM 1967 CA GLN A 124 18.580 -0.007 4.595 1.00 13.21 C ATOM 1968 C GLN A 124 19.746 -1.020 4.703 1.00 71.51 C ATOM 1969 O GLN A 124 20.884 -0.626 4.992 1.00 34.53 O ATOM 1970 CB GLN A 124 18.204 0.550 5.993 1.00 11.50 C ATOM 1971 CG GLN A 124 17.691 -0.500 6.990 1.00 62.14 C ATOM 1972 CD GLN A 124 17.546 0.026 8.419 1.00 35.41 C ATOM 1973 OE1 GLN A 124 17.276 1.208 8.643 1.00 12.32 O ATOM 1974 NE2 GLN A 124 17.722 -0.843 9.399 1.00 14.45 N ATOM 0 H GLN A 124 16.666 -0.913 4.530 1.00 25.12 H new ATOM 0 HA GLN A 124 18.916 0.832 3.986 1.00 13.21 H new ATOM 0 HB2 GLN A 124 19.079 1.039 6.421 1.00 11.50 H new ATOM 0 HB3 GLN A 124 17.439 1.317 5.869 1.00 11.50 H new ATOM 0 HG2 GLN A 124 16.724 -0.870 6.649 1.00 62.14 H new ATOM 0 HG3 GLN A 124 18.374 -1.349 6.993 1.00 62.14 H new ATOM 0 HE21 GLN A 124 17.945 -1.815 9.185 1.00 14.45 H new ATOM 0 HE22 GLN A 124 17.635 -0.542 10.370 1.00 14.45 H new ATOM 1983 N ASP A 125 19.450 -2.320 4.502 1.00 74.11 N ATOM 1984 CA ASP A 125 20.498 -3.352 4.319 1.00 10.53 C ATOM 1985 C ASP A 125 21.129 -3.228 2.923 1.00 13.34 C ATOM 1986 O ASP A 125 22.287 -3.607 2.725 1.00 2.41 O ATOM 1987 CB ASP A 125 19.915 -4.782 4.487 1.00 45.04 C ATOM 1988 CG ASP A 125 19.601 -5.171 5.938 1.00 41.13 C ATOM 1989 OD1 ASP A 125 20.503 -5.073 6.797 1.00 61.54 O ATOM 1990 OD2 ASP A 125 18.472 -5.621 6.225 1.00 63.22 O ATOM 0 H ASP A 125 18.497 -2.682 4.462 1.00 74.11 H new ATOM 0 HA ASP A 125 21.257 -3.190 5.084 1.00 10.53 H new ATOM 0 HB2 ASP A 125 19.002 -4.861 3.897 1.00 45.04 H new ATOM 0 HB3 ASP A 125 20.624 -5.501 4.076 1.00 45.04 H new ATOM 1995 N GLY A 126 20.362 -2.661 1.971 1.00 74.34 N ATOM 1996 CA GLY A 126 20.827 -2.483 0.603 1.00 41.32 C ATOM 1997 C GLY A 126 20.840 -3.782 -0.194 1.00 4.22 C ATOM 1998 O GLY A 126 21.829 -4.084 -0.876 1.00 2.31 O ATOM 0 H GLY A 126 19.415 -2.321 2.137 1.00 74.34 H new ATOM 0 HA2 GLY A 126 20.186 -1.760 0.098 1.00 41.32 H new ATOM 0 HA3 GLY A 126 21.832 -2.062 0.618 1.00 41.32 H new ATOM 2002 N HIS A 127 19.738 -4.552 -0.101 1.00 22.43 N ATOM 2003 CA HIS A 127 19.544 -5.786 -0.895 1.00 73.33 C ATOM 2004 C HIS A 127 18.084 -6.252 -0.774 1.00 71.35 C ATOM 2005 O HIS A 127 17.504 -6.153 0.305 1.00 44.50 O ATOM 2006 CB HIS A 127 20.513 -6.915 -0.432 1.00 24.21 C ATOM 2007 CG HIS A 127 20.616 -8.067 -1.401 1.00 33.33 C ATOM 2008 ND1 HIS A 127 21.630 -8.171 -2.329 1.00 13.34 N ATOM 2009 CD2 HIS A 127 19.839 -9.163 -1.582 1.00 22.21 C ATOM 2010 CE1 HIS A 127 21.471 -9.269 -3.032 1.00 51.31 C ATOM 2011 NE2 HIS A 127 20.394 -9.887 -2.598 1.00 43.15 N ATOM 0 H HIS A 127 18.960 -4.339 0.523 1.00 22.43 H new ATOM 0 HA HIS A 127 19.769 -5.564 -1.938 1.00 73.33 H new ATOM 0 HB2 HIS A 127 21.505 -6.490 -0.281 1.00 24.21 H new ATOM 0 HB3 HIS A 127 20.179 -7.294 0.534 1.00 24.21 H new ATOM 0 HD2 HIS A 127 18.948 -9.416 -1.027 1.00 22.21 H new ATOM 0 HE1 HIS A 127 22.115 -9.607 -3.830 1.00 51.31 H new ATOM 0 HE2 HIS A 127 20.031 -10.768 -2.963 1.00 43.15 H new ATOM 2020 N ASP A 128 17.519 -6.793 -1.876 1.00 22.13 N ATOM 2021 CA ASP A 128 16.109 -7.238 -1.939 1.00 11.22 C ATOM 2022 C ASP A 128 15.862 -8.490 -1.073 1.00 51.02 C ATOM 2023 O ASP A 128 16.673 -9.425 -1.048 1.00 5.35 O ATOM 2024 CB ASP A 128 15.675 -7.524 -3.404 1.00 55.40 C ATOM 2025 CG ASP A 128 16.395 -8.725 -4.035 1.00 60.53 C ATOM 2026 OD1 ASP A 128 17.589 -8.596 -4.387 1.00 50.40 O ATOM 2027 OD2 ASP A 128 15.780 -9.813 -4.148 1.00 23.44 O ATOM 0 H ASP A 128 18.029 -6.934 -2.748 1.00 22.13 H new ATOM 0 HA ASP A 128 15.506 -6.422 -1.542 1.00 11.22 H new ATOM 0 HB2 ASP A 128 14.600 -7.702 -3.427 1.00 55.40 H new ATOM 0 HB3 ASP A 128 15.865 -6.638 -4.010 1.00 55.40 H new ATOM 2032 N HIS A 129 14.732 -8.481 -0.355 1.00 55.25 N ATOM 2033 CA HIS A 129 14.258 -9.614 0.480 1.00 2.33 C ATOM 2034 C HIS A 129 12.727 -9.720 0.352 1.00 41.21 C ATOM 2035 O HIS A 129 12.040 -10.277 1.218 1.00 33.33 O ATOM 2036 CB HIS A 129 14.693 -9.441 1.968 1.00 5.34 C ATOM 2037 CG HIS A 129 16.125 -9.825 2.269 1.00 43.12 C ATOM 2038 ND1 HIS A 129 16.465 -10.979 2.947 1.00 64.21 N ATOM 2039 CD2 HIS A 129 17.300 -9.203 2.002 1.00 12.11 C ATOM 2040 CE1 HIS A 129 17.770 -11.041 3.078 1.00 53.42 C ATOM 2041 NE2 HIS A 129 18.296 -9.980 2.517 1.00 53.41 N ATOM 0 H HIS A 129 14.104 -7.677 -0.331 1.00 55.25 H new ATOM 0 HA HIS A 129 14.713 -10.539 0.126 1.00 2.33 H new ATOM 0 HB2 HIS A 129 14.545 -8.400 2.254 1.00 5.34 H new ATOM 0 HB3 HIS A 129 14.033 -10.041 2.595 1.00 5.34 H new ATOM 0 HD2 HIS A 129 17.424 -8.266 1.479 1.00 12.11 H new ATOM 0 HE1 HIS A 129 18.318 -11.833 3.566 1.00 53.42 H new ATOM 0 HE2 HIS A 129 19.293 -9.768 2.472 1.00 53.41 H new ATOM 2113 N ASP A 134 16.573 -4.481 -7.150 1.00 5.21 N ATOM 2114 CA ASP A 134 17.853 -3.973 -6.632 1.00 74.14 C ATOM 2115 C ASP A 134 17.656 -2.740 -5.684 1.00 3.33 C ATOM 2116 O ASP A 134 16.719 -1.965 -5.882 1.00 23.21 O ATOM 2117 CB ASP A 134 18.775 -3.587 -7.830 1.00 44.11 C ATOM 2118 CG ASP A 134 20.216 -3.297 -7.405 1.00 2.14 C ATOM 2119 OD1 ASP A 134 20.518 -2.148 -7.038 1.00 22.24 O ATOM 2120 OD2 ASP A 134 21.052 -4.230 -7.398 1.00 74.20 O ATOM 0 HA ASP A 134 18.317 -4.763 -6.041 1.00 74.14 H new ATOM 0 HB2 ASP A 134 18.773 -4.397 -8.559 1.00 44.11 H new ATOM 0 HB3 ASP A 134 18.365 -2.709 -8.329 1.00 44.11 H new ATOM 2125 N PRO A 135 18.517 -2.603 -4.609 1.00 71.43 N ATOM 2126 CA PRO A 135 18.623 -1.408 -3.712 1.00 51.33 C ATOM 2127 C PRO A 135 18.398 -0.020 -4.362 1.00 72.20 C ATOM 2128 O PRO A 135 17.763 0.854 -3.754 1.00 63.34 O ATOM 2129 CB PRO A 135 20.063 -1.546 -3.121 1.00 52.22 C ATOM 2130 CG PRO A 135 20.617 -2.839 -3.671 1.00 63.05 C ATOM 2131 CD PRO A 135 19.419 -3.653 -4.086 1.00 51.43 C ATOM 0 HA PRO A 135 17.816 -1.419 -2.980 1.00 51.33 H new ATOM 0 HB2 PRO A 135 20.686 -0.700 -3.411 1.00 52.22 H new ATOM 0 HB3 PRO A 135 20.037 -1.565 -2.031 1.00 52.22 H new ATOM 0 HG2 PRO A 135 21.276 -2.653 -4.519 1.00 63.05 H new ATOM 0 HG3 PRO A 135 21.205 -3.364 -2.919 1.00 63.05 H new ATOM 0 HD2 PRO A 135 19.669 -4.394 -4.845 1.00 51.43 H new ATOM 0 HD3 PRO A 135 18.979 -4.192 -3.247 1.00 51.43 H new ATOM 2139 N LYS A 136 18.887 0.171 -5.598 1.00 51.42 N ATOM 2140 CA LYS A 136 18.818 1.481 -6.294 1.00 23.34 C ATOM 2141 C LYS A 136 17.403 1.778 -6.861 1.00 21.34 C ATOM 2142 O LYS A 136 17.181 2.832 -7.468 1.00 65.00 O ATOM 2143 CB LYS A 136 19.903 1.550 -7.402 1.00 70.15 C ATOM 2144 CG LYS A 136 19.657 0.637 -8.624 1.00 44.04 C ATOM 2145 CD LYS A 136 20.869 0.563 -9.589 1.00 75.11 C ATOM 2146 CE LYS A 136 22.093 -0.099 -8.940 1.00 21.23 C ATOM 2147 NZ LYS A 136 23.264 -0.199 -9.854 1.00 34.44 N ATOM 0 H LYS A 136 19.337 -0.564 -6.144 1.00 51.42 H new ATOM 0 HA LYS A 136 19.018 2.260 -5.558 1.00 23.34 H new ATOM 0 HB2 LYS A 136 19.980 2.581 -7.749 1.00 70.15 H new ATOM 0 HB3 LYS A 136 20.865 1.289 -6.962 1.00 70.15 H new ATOM 0 HG2 LYS A 136 19.417 -0.368 -8.276 1.00 44.04 H new ATOM 0 HG3 LYS A 136 18.787 1.001 -9.171 1.00 44.04 H new ATOM 0 HD2 LYS A 136 20.587 0.003 -10.481 1.00 75.11 H new ATOM 0 HD3 LYS A 136 21.133 1.569 -9.914 1.00 75.11 H new ATOM 0 HE2 LYS A 136 22.379 0.471 -8.056 1.00 21.23 H new ATOM 0 HE3 LYS A 136 21.820 -1.098 -8.601 1.00 21.23 H new ATOM 0 HZ1 LYS A 136 24.055 -0.654 -9.356 1.00 34.44 H new ATOM 0 HZ2 LYS A 136 23.007 -0.766 -10.687 1.00 34.44 H new ATOM 0 HZ3 LYS A 136 23.549 0.754 -10.159 1.00 34.44 H new ATOM 2161 N TYR A 137 16.456 0.843 -6.658 1.00 13.20 N ATOM 2162 CA TYR A 137 15.035 0.997 -7.064 1.00 42.33 C ATOM 2163 C TYR A 137 14.101 0.846 -5.843 1.00 5.13 C ATOM 2164 O TYR A 137 12.871 0.818 -5.991 1.00 43.33 O ATOM 2165 CB TYR A 137 14.661 -0.063 -8.136 1.00 4.35 C ATOM 2166 CG TYR A 137 15.611 -0.136 -9.335 1.00 42.21 C ATOM 2167 CD1 TYR A 137 15.594 0.841 -10.329 1.00 32.32 C ATOM 2168 CD2 TYR A 137 16.537 -1.178 -9.461 1.00 11.10 C ATOM 2169 CE1 TYR A 137 16.459 0.779 -11.402 1.00 73.02 C ATOM 2170 CE2 TYR A 137 17.404 -1.241 -10.535 1.00 43.03 C ATOM 2171 CZ TYR A 137 17.361 -0.261 -11.500 1.00 3.33 C ATOM 2172 OH TYR A 137 18.226 -0.317 -12.573 1.00 14.54 O ATOM 0 H TYR A 137 16.651 -0.050 -6.205 1.00 13.20 H new ATOM 0 HA TYR A 137 14.910 1.994 -7.486 1.00 42.33 H new ATOM 0 HB2 TYR A 137 14.626 -1.043 -7.659 1.00 4.35 H new ATOM 0 HB3 TYR A 137 13.656 0.150 -8.501 1.00 4.35 H new ATOM 0 HD1 TYR A 137 14.893 1.659 -10.258 1.00 32.32 H new ATOM 0 HD2 TYR A 137 16.575 -1.948 -8.704 1.00 11.10 H new ATOM 0 HE1 TYR A 137 16.430 1.543 -12.164 1.00 73.02 H new ATOM 0 HE2 TYR A 137 18.111 -2.054 -10.617 1.00 43.03 H new ATOM 0 HH TYR A 137 18.796 -1.110 -12.492 1.00 14.54 H new ATOM 2182 N LEU A 138 14.692 0.732 -4.639 1.00 31.43 N ATOM 2183 CA LEU A 138 13.941 0.546 -3.383 1.00 74.44 C ATOM 2184 C LEU A 138 13.579 1.906 -2.761 1.00 74.22 C ATOM 2185 O LEU A 138 14.330 2.878 -2.893 1.00 71.42 O ATOM 2186 CB LEU A 138 14.765 -0.307 -2.386 1.00 5.14 C ATOM 2187 CG LEU A 138 15.061 -1.776 -2.823 1.00 24.13 C ATOM 2188 CD1 LEU A 138 15.898 -2.520 -1.757 1.00 2.20 C ATOM 2189 CD2 LEU A 138 13.759 -2.534 -3.145 1.00 63.45 C ATOM 0 H LEU A 138 15.703 0.766 -4.509 1.00 31.43 H new ATOM 0 HA LEU A 138 13.015 0.018 -3.609 1.00 74.44 H new ATOM 0 HB2 LEU A 138 15.715 0.196 -2.207 1.00 5.14 H new ATOM 0 HB3 LEU A 138 14.234 -0.332 -1.435 1.00 5.14 H new ATOM 0 HG LEU A 138 15.654 -1.737 -3.737 1.00 24.13 H new ATOM 0 HD11 LEU A 138 16.088 -3.540 -2.090 1.00 2.20 H new ATOM 0 HD12 LEU A 138 16.847 -2.003 -1.613 1.00 2.20 H new ATOM 0 HD13 LEU A 138 15.350 -2.542 -0.815 1.00 2.20 H new ATOM 0 HD21 LEU A 138 13.997 -3.554 -3.446 1.00 63.45 H new ATOM 0 HD22 LEU A 138 13.123 -2.556 -2.260 1.00 63.45 H new ATOM 0 HD23 LEU A 138 13.235 -2.029 -3.956 1.00 63.45 H new ATOM 2201 N HIS A 139 12.433 1.946 -2.063 1.00 75.41 N ATOM 2202 CA HIS A 139 11.857 3.183 -1.512 1.00 24.44 C ATOM 2203 C HIS A 139 11.141 2.885 -0.185 1.00 24.43 C ATOM 2204 O HIS A 139 10.099 2.238 -0.187 1.00 51.30 O ATOM 2205 CB HIS A 139 10.857 3.790 -2.541 1.00 12.51 C ATOM 2206 CG HIS A 139 10.046 4.961 -2.041 1.00 32.41 C ATOM 2207 ND1 HIS A 139 8.718 4.847 -1.680 1.00 20.22 N ATOM 2208 CD2 HIS A 139 10.364 6.268 -1.870 1.00 12.24 C ATOM 2209 CE1 HIS A 139 8.262 6.026 -1.318 1.00 11.45 C ATOM 2210 NE2 HIS A 139 9.237 6.901 -1.423 1.00 52.51 N ATOM 0 H HIS A 139 11.876 1.115 -1.864 1.00 75.41 H new ATOM 0 HA HIS A 139 12.655 3.901 -1.321 1.00 24.44 H new ATOM 0 HB2 HIS A 139 11.415 4.106 -3.422 1.00 12.51 H new ATOM 0 HB3 HIS A 139 10.172 3.006 -2.862 1.00 12.51 H new ATOM 0 HD1 HIS A 139 8.176 3.983 -1.692 1.00 20.22 H new ATOM 0 HD2 HIS A 139 11.326 6.723 -2.052 1.00 12.24 H new ATOM 0 HE1 HIS A 139 7.256 6.239 -0.990 1.00 11.45 H new ATOM 2219 N GLN A 140 11.716 3.357 0.934 1.00 71.21 N ATOM 2220 CA GLN A 140 11.061 3.304 2.258 1.00 35.52 C ATOM 2221 C GLN A 140 9.905 4.315 2.311 1.00 35.34 C ATOM 2222 O GLN A 140 9.949 5.359 1.641 1.00 72.30 O ATOM 2223 CB GLN A 140 12.067 3.628 3.402 1.00 65.41 C ATOM 2224 CG GLN A 140 13.297 2.707 3.456 1.00 12.12 C ATOM 2225 CD GLN A 140 14.293 3.061 4.566 1.00 22.03 C ATOM 2226 OE1 GLN A 140 14.438 4.221 4.946 1.00 41.13 O ATOM 2227 NE2 GLN A 140 15.006 2.068 5.086 1.00 23.21 N ATOM 0 H GLN A 140 12.642 3.784 0.950 1.00 71.21 H new ATOM 0 HA GLN A 140 10.683 2.292 2.400 1.00 35.52 H new ATOM 0 HB2 GLN A 140 12.406 4.658 3.289 1.00 65.41 H new ATOM 0 HB3 GLN A 140 11.543 3.568 4.356 1.00 65.41 H new ATOM 0 HG2 GLN A 140 12.963 1.679 3.596 1.00 12.12 H new ATOM 0 HG3 GLN A 140 13.810 2.747 2.495 1.00 12.12 H new ATOM 0 HE21 GLN A 140 14.868 1.113 4.755 1.00 23.21 H new ATOM 0 HE22 GLN A 140 15.691 2.260 5.817 1.00 23.21 H new ATOM 2236 N PHE A 141 8.886 3.991 3.115 1.00 50.12 N ATOM 2237 CA PHE A 141 7.760 4.889 3.376 1.00 62.52 C ATOM 2238 C PHE A 141 8.221 6.074 4.235 1.00 40.51 C ATOM 2239 O PHE A 141 8.693 5.873 5.360 1.00 40.30 O ATOM 2240 CB PHE A 141 6.631 4.124 4.092 1.00 20.32 C ATOM 2241 CG PHE A 141 6.122 2.914 3.329 1.00 12.54 C ATOM 2242 CD1 PHE A 141 5.414 3.072 2.146 1.00 53.43 C ATOM 2243 CD2 PHE A 141 6.347 1.619 3.801 1.00 74.33 C ATOM 2244 CE1 PHE A 141 4.942 1.979 1.460 1.00 52.34 C ATOM 2245 CE2 PHE A 141 5.872 0.530 3.117 1.00 20.23 C ATOM 2246 CZ PHE A 141 5.174 0.709 1.942 1.00 4.52 C ATOM 0 H PHE A 141 8.821 3.097 3.603 1.00 50.12 H new ATOM 0 HA PHE A 141 7.382 5.268 2.426 1.00 62.52 H new ATOM 0 HB2 PHE A 141 6.989 3.800 5.069 1.00 20.32 H new ATOM 0 HB3 PHE A 141 5.799 4.806 4.268 1.00 20.32 H new ATOM 0 HD1 PHE A 141 5.232 4.064 1.761 1.00 53.43 H new ATOM 0 HD2 PHE A 141 6.902 1.474 4.716 1.00 74.33 H new ATOM 0 HE1 PHE A 141 4.389 2.115 0.542 1.00 52.34 H new ATOM 0 HE2 PHE A 141 6.044 -0.466 3.498 1.00 20.23 H new ATOM 0 HZ PHE A 141 4.808 -0.149 1.397 1.00 4.52 H new ATOM 2256 N GLU A 142 8.098 7.295 3.699 1.00 54.44 N ATOM 2257 CA GLU A 142 8.544 8.529 4.378 1.00 25.54 C ATOM 2258 C GLU A 142 7.358 9.466 4.664 1.00 13.34 C ATOM 2259 O GLU A 142 6.323 9.414 3.992 1.00 53.55 O ATOM 2260 CB GLU A 142 9.618 9.248 3.520 1.00 11.45 C ATOM 2261 CG GLU A 142 9.160 9.587 2.086 1.00 41.42 C ATOM 2262 CD GLU A 142 10.146 10.483 1.329 1.00 0.24 C ATOM 2263 OE1 GLU A 142 10.101 11.719 1.522 1.00 2.10 O ATOM 2264 OE2 GLU A 142 10.964 9.969 0.539 1.00 1.33 O ATOM 0 H GLU A 142 7.686 7.461 2.781 1.00 54.44 H new ATOM 0 HA GLU A 142 8.985 8.254 5.336 1.00 25.54 H new ATOM 0 HB2 GLU A 142 9.911 10.169 4.023 1.00 11.45 H new ATOM 0 HB3 GLU A 142 10.506 8.618 3.466 1.00 11.45 H new ATOM 0 HG2 GLU A 142 9.020 8.661 1.529 1.00 41.42 H new ATOM 0 HG3 GLU A 142 8.190 10.082 2.130 1.00 41.42 H new ATOM 2271 N GLY A 143 7.528 10.326 5.679 1.00 42.42 N ATOM 2272 CA GLY A 143 6.504 11.293 6.086 1.00 51.21 C ATOM 2273 C GLY A 143 5.701 10.834 7.289 1.00 13.31 C ATOM 2274 O GLY A 143 4.935 11.627 7.856 1.00 25.33 O ATOM 0 H GLY A 143 8.379 10.369 6.239 1.00 42.42 H new ATOM 0 HA2 GLY A 143 6.982 12.245 6.317 1.00 51.21 H new ATOM 0 HA3 GLY A 143 5.827 11.471 5.250 1.00 51.21 H new ATOM 2278 N GLU A 144 5.849 9.531 7.652 1.00 0.41 N ATOM 2279 CA GLU A 144 5.190 8.883 8.823 1.00 4.41 C ATOM 2280 C GLU A 144 3.679 8.630 8.614 1.00 4.43 C ATOM 2281 O GLU A 144 3.110 7.733 9.250 1.00 14.25 O ATOM 2282 CB GLU A 144 5.444 9.672 10.143 1.00 53.33 C ATOM 2283 CG GLU A 144 6.934 9.770 10.544 1.00 73.42 C ATOM 2284 CD GLU A 144 7.198 10.787 11.663 1.00 62.33 C ATOM 2285 OE1 GLU A 144 6.993 10.462 12.848 1.00 14.44 O ATOM 2286 OE2 GLU A 144 7.601 11.934 11.355 1.00 3.42 O ATOM 0 H GLU A 144 6.442 8.887 7.129 1.00 0.41 H new ATOM 0 HA GLU A 144 5.660 7.904 8.915 1.00 4.41 H new ATOM 0 HB2 GLU A 144 5.041 10.679 10.035 1.00 53.33 H new ATOM 0 HB3 GLU A 144 4.892 9.193 10.952 1.00 53.33 H new ATOM 0 HG2 GLU A 144 7.281 8.788 10.866 1.00 73.42 H new ATOM 0 HG3 GLU A 144 7.521 10.044 9.668 1.00 73.42 H new ATOM 2293 N THR A 145 3.027 9.412 7.744 1.00 42.51 N ATOM 2294 CA THR A 145 1.600 9.268 7.459 1.00 54.25 C ATOM 2295 C THR A 145 1.382 8.191 6.377 1.00 12.30 C ATOM 2296 O THR A 145 1.735 8.390 5.210 1.00 62.44 O ATOM 2297 CB THR A 145 0.986 10.630 7.022 1.00 23.42 C ATOM 2298 OG1 THR A 145 1.341 11.640 7.985 1.00 21.34 O ATOM 2299 CG2 THR A 145 -0.554 10.551 6.898 1.00 52.22 C ATOM 0 H THR A 145 3.477 10.162 7.219 1.00 42.51 H new ATOM 0 HA THR A 145 1.091 8.950 8.369 1.00 54.25 H new ATOM 0 HB THR A 145 1.386 10.884 6.040 1.00 23.42 H new ATOM 0 HG1 THR A 145 0.958 12.500 7.713 1.00 21.34 H new ATOM 0 HG21 THR A 145 -0.945 11.521 6.591 1.00 52.22 H new ATOM 0 HG22 THR A 145 -0.821 9.801 6.154 1.00 52.22 H new ATOM 0 HG23 THR A 145 -0.983 10.275 7.861 1.00 52.22 H new ATOM 2307 N PHE A 146 0.853 7.038 6.806 1.00 23.21 N ATOM 2308 CA PHE A 146 0.503 5.919 5.926 1.00 53.43 C ATOM 2309 C PHE A 146 -0.942 6.062 5.446 1.00 52.41 C ATOM 2310 O PHE A 146 -1.823 6.444 6.221 1.00 21.00 O ATOM 2311 CB PHE A 146 0.676 4.574 6.675 1.00 35.05 C ATOM 2312 CG PHE A 146 2.127 4.159 6.862 1.00 24.25 C ATOM 2313 CD1 PHE A 146 2.920 4.709 7.869 1.00 14.50 C ATOM 2314 CD2 PHE A 146 2.696 3.220 6.016 1.00 50.52 C ATOM 2315 CE1 PHE A 146 4.232 4.316 8.022 1.00 4.21 C ATOM 2316 CE2 PHE A 146 3.999 2.827 6.173 1.00 15.54 C ATOM 2317 CZ PHE A 146 4.773 3.376 7.170 1.00 63.40 C ATOM 0 H PHE A 146 0.654 6.855 7.789 1.00 23.21 H new ATOM 0 HA PHE A 146 1.169 5.932 5.063 1.00 53.43 H new ATOM 0 HB2 PHE A 146 0.200 4.649 7.653 1.00 35.05 H new ATOM 0 HB3 PHE A 146 0.152 3.792 6.125 1.00 35.05 H new ATOM 0 HD1 PHE A 146 2.502 5.450 8.535 1.00 14.50 H new ATOM 0 HD2 PHE A 146 2.103 2.792 5.221 1.00 50.52 H new ATOM 0 HE1 PHE A 146 4.836 4.744 8.808 1.00 4.21 H new ATOM 0 HE2 PHE A 146 4.420 2.084 5.512 1.00 15.54 H new ATOM 0 HZ PHE A 146 5.803 3.071 7.285 1.00 63.40 H new ATOM 2327 N TYR A 147 -1.157 5.777 4.163 1.00 53.15 N ATOM 2328 CA TYR A 147 -2.481 5.678 3.555 1.00 42.51 C ATOM 2329 C TYR A 147 -2.716 4.221 3.158 1.00 44.41 C ATOM 2330 O TYR A 147 -1.812 3.562 2.640 1.00 13.42 O ATOM 2331 CB TYR A 147 -2.584 6.609 2.316 1.00 1.31 C ATOM 2332 CG TYR A 147 -2.634 8.099 2.652 1.00 43.03 C ATOM 2333 CD1 TYR A 147 -1.500 8.788 3.089 1.00 15.34 C ATOM 2334 CD2 TYR A 147 -3.824 8.816 2.534 1.00 31.32 C ATOM 2335 CE1 TYR A 147 -1.558 10.127 3.402 1.00 14.04 C ATOM 2336 CE2 TYR A 147 -3.882 10.155 2.841 1.00 4.02 C ATOM 2337 CZ TYR A 147 -2.748 10.807 3.277 1.00 65.43 C ATOM 2338 OH TYR A 147 -2.815 12.145 3.595 1.00 43.21 O ATOM 0 H TYR A 147 -0.398 5.605 3.503 1.00 53.15 H new ATOM 0 HA TYR A 147 -3.243 5.996 4.267 1.00 42.51 H new ATOM 0 HB2 TYR A 147 -1.730 6.424 1.665 1.00 1.31 H new ATOM 0 HB3 TYR A 147 -3.478 6.346 1.751 1.00 1.31 H new ATOM 0 HD1 TYR A 147 -0.562 8.261 3.183 1.00 15.34 H new ATOM 0 HD2 TYR A 147 -4.716 8.310 2.195 1.00 31.32 H new ATOM 0 HE1 TYR A 147 -0.673 10.642 3.744 1.00 14.04 H new ATOM 0 HE2 TYR A 147 -4.812 10.694 2.741 1.00 4.02 H new ATOM 0 HH TYR A 147 -2.106 12.629 3.123 1.00 43.21 H new ATOM 2348 N ILE A 148 -3.920 3.718 3.439 1.00 51.24 N ATOM 2349 CA ILE A 148 -4.325 2.354 3.092 1.00 61.45 C ATOM 2350 C ILE A 148 -5.626 2.416 2.285 1.00 52.53 C ATOM 2351 O ILE A 148 -6.677 2.770 2.823 1.00 14.03 O ATOM 2352 CB ILE A 148 -4.519 1.448 4.367 1.00 63.43 C ATOM 2353 CG1 ILE A 148 -3.189 1.345 5.187 1.00 63.03 C ATOM 2354 CG2 ILE A 148 -5.038 0.051 3.962 1.00 5.52 C ATOM 2355 CD1 ILE A 148 -3.242 0.421 6.394 1.00 51.42 C ATOM 0 H ILE A 148 -4.647 4.250 3.917 1.00 51.24 H new ATOM 0 HA ILE A 148 -3.531 1.901 2.499 1.00 61.45 H new ATOM 0 HB ILE A 148 -5.266 1.913 5.010 1.00 63.43 H new ATOM 0 HG12 ILE A 148 -2.396 1.002 4.522 1.00 63.03 H new ATOM 0 HG13 ILE A 148 -2.912 2.343 5.526 1.00 63.03 H new ATOM 0 HG21 ILE A 148 -5.167 -0.562 4.854 1.00 5.52 H new ATOM 0 HG22 ILE A 148 -5.995 0.153 3.451 1.00 5.52 H new ATOM 0 HG23 ILE A 148 -4.319 -0.425 3.295 1.00 5.52 H new ATOM 0 HD11 ILE A 148 -2.273 0.419 6.894 1.00 51.42 H new ATOM 0 HD12 ILE A 148 -4.007 0.771 7.087 1.00 51.42 H new ATOM 0 HD13 ILE A 148 -3.484 -0.590 6.068 1.00 51.42 H new ATOM 2367 N ILE A 149 -5.534 2.098 0.989 1.00 72.24 N ATOM 2368 CA ILE A 149 -6.697 2.084 0.084 1.00 61.54 C ATOM 2369 C ILE A 149 -7.076 0.617 -0.202 1.00 42.21 C ATOM 2370 O ILE A 149 -6.192 -0.222 -0.352 1.00 41.01 O ATOM 2371 CB ILE A 149 -6.410 2.833 -1.277 1.00 2.54 C ATOM 2372 CG1 ILE A 149 -5.616 4.168 -1.060 1.00 13.42 C ATOM 2373 CG2 ILE A 149 -7.733 3.090 -2.038 1.00 73.23 C ATOM 2374 CD1 ILE A 149 -6.288 5.194 -0.167 1.00 60.43 C ATOM 0 H ILE A 149 -4.656 1.843 0.536 1.00 72.24 H new ATOM 0 HA ILE A 149 -7.516 2.612 0.573 1.00 61.54 H new ATOM 0 HB ILE A 149 -5.777 2.185 -1.883 1.00 2.54 H new ATOM 0 HG12 ILE A 149 -4.642 3.925 -0.635 1.00 13.42 H new ATOM 0 HG13 ILE A 149 -5.434 4.624 -2.033 1.00 13.42 H new ATOM 0 HG21 ILE A 149 -7.520 3.607 -2.974 1.00 73.23 H new ATOM 0 HG22 ILE A 149 -8.221 2.139 -2.252 1.00 73.23 H new ATOM 0 HG23 ILE A 149 -8.391 3.706 -1.425 1.00 73.23 H new ATOM 0 HD11 ILE A 149 -5.654 6.077 -0.086 1.00 60.43 H new ATOM 0 HD12 ILE A 149 -7.249 5.476 -0.597 1.00 60.43 H new ATOM 0 HD13 ILE A 149 -6.445 4.767 0.824 1.00 60.43 H new ATOM 2386 N GLU A 150 -8.382 0.318 -0.279 1.00 35.13 N ATOM 2387 CA GLU A 150 -8.878 -1.051 -0.520 1.00 71.32 C ATOM 2388 C GLU A 150 -9.107 -1.292 -2.032 1.00 41.13 C ATOM 2389 O GLU A 150 -9.888 -0.579 -2.675 1.00 33.43 O ATOM 2390 CB GLU A 150 -10.195 -1.283 0.269 1.00 64.42 C ATOM 2391 CG GLU A 150 -10.746 -2.722 0.170 1.00 41.42 C ATOM 2392 CD GLU A 150 -12.090 -2.890 0.886 1.00 30.24 C ATOM 2393 OE1 GLU A 150 -12.103 -3.010 2.127 1.00 75.35 O ATOM 2394 OE2 GLU A 150 -13.137 -2.905 0.208 1.00 72.31 O ATOM 0 H GLU A 150 -9.122 1.012 -0.177 1.00 35.13 H new ATOM 0 HA GLU A 150 -8.126 -1.760 -0.172 1.00 71.32 H new ATOM 0 HB2 GLU A 150 -10.024 -1.043 1.318 1.00 64.42 H new ATOM 0 HB3 GLU A 150 -10.952 -0.590 -0.098 1.00 64.42 H new ATOM 0 HG2 GLU A 150 -10.862 -2.991 -0.880 1.00 41.42 H new ATOM 0 HG3 GLU A 150 -10.021 -3.415 0.598 1.00 41.42 H new ATOM 2401 N GLN A 151 -8.392 -2.287 -2.595 1.00 71.54 N ATOM 2402 CA GLN A 151 -8.583 -2.743 -3.988 1.00 12.44 C ATOM 2403 C GLN A 151 -9.018 -4.206 -3.978 1.00 73.01 C ATOM 2404 O GLN A 151 -8.576 -5.001 -3.152 1.00 62.53 O ATOM 2405 CB GLN A 151 -7.291 -2.617 -4.857 1.00 4.43 C ATOM 2406 CG GLN A 151 -6.724 -1.190 -5.025 1.00 74.11 C ATOM 2407 CD GLN A 151 -6.079 -0.606 -3.764 1.00 21.11 C ATOM 2408 OE1 GLN A 151 -6.056 0.602 -3.575 1.00 52.32 O ATOM 2409 NE2 GLN A 151 -5.548 -1.455 -2.887 1.00 12.54 N ATOM 0 H GLN A 151 -7.664 -2.798 -2.096 1.00 71.54 H new ATOM 0 HA GLN A 151 -9.342 -2.099 -4.432 1.00 12.44 H new ATOM 0 HB2 GLN A 151 -6.517 -3.244 -4.415 1.00 4.43 H new ATOM 0 HB3 GLN A 151 -7.502 -3.022 -5.847 1.00 4.43 H new ATOM 0 HG2 GLN A 151 -5.983 -1.200 -5.825 1.00 74.11 H new ATOM 0 HG3 GLN A 151 -7.529 -0.529 -5.345 1.00 74.11 H new ATOM 0 HE21 GLN A 151 -5.579 -2.459 -3.066 1.00 12.54 H new ATOM 0 HE22 GLN A 151 -5.110 -1.102 -2.036 1.00 12.54 H new ATOM 2418 N ARG A 152 -9.886 -4.539 -4.919 1.00 22.23 N ATOM 2419 CA ARG A 152 -10.311 -5.922 -5.182 1.00 21.22 C ATOM 2420 C ARG A 152 -9.569 -6.403 -6.446 1.00 1.42 C ATOM 2421 O ARG A 152 -8.812 -5.614 -7.042 1.00 21.24 O ATOM 2422 CB ARG A 152 -11.862 -5.984 -5.358 1.00 53.14 C ATOM 2423 CG ARG A 152 -12.705 -5.574 -4.108 1.00 75.42 C ATOM 2424 CD ARG A 152 -12.719 -4.051 -3.844 1.00 71.43 C ATOM 2425 NE ARG A 152 -13.532 -3.668 -2.682 1.00 11.05 N ATOM 2426 CZ ARG A 152 -14.803 -3.250 -2.724 1.00 61.41 C ATOM 2427 NH1 ARG A 152 -15.457 -3.151 -3.878 1.00 21.44 N ATOM 2428 NH2 ARG A 152 -15.406 -2.907 -1.600 1.00 2.15 N ATOM 0 H ARG A 152 -10.326 -3.855 -5.534 1.00 22.23 H new ATOM 0 HA ARG A 152 -10.064 -6.576 -4.346 1.00 21.22 H new ATOM 0 HB2 ARG A 152 -12.141 -5.336 -6.189 1.00 53.14 H new ATOM 0 HB3 ARG A 152 -12.136 -7.000 -5.640 1.00 53.14 H new ATOM 0 HG2 ARG A 152 -13.730 -5.921 -4.242 1.00 75.42 H new ATOM 0 HG3 ARG A 152 -12.308 -6.083 -3.230 1.00 75.42 H new ATOM 0 HD2 ARG A 152 -11.696 -3.707 -3.692 1.00 71.43 H new ATOM 0 HD3 ARG A 152 -13.099 -3.540 -4.728 1.00 71.43 H new ATOM 0 HE ARG A 152 -13.090 -3.725 -1.764 1.00 11.05 H new ATOM 0 HH11 ARG A 152 -14.990 -3.396 -4.751 1.00 21.44 H new ATOM 0 HH12 ARG A 152 -16.425 -2.830 -3.890 1.00 21.44 H new ATOM 0 HH21 ARG A 152 -14.903 -2.962 -0.714 1.00 2.15 H new ATOM 0 HH22 ARG A 152 -16.374 -2.587 -1.618 1.00 2.15 H new ATOM 2442 N LEU A 153 -9.770 -7.687 -6.844 1.00 2.21 N ATOM 2443 CA LEU A 153 -9.178 -8.239 -8.090 1.00 41.55 C ATOM 2444 C LEU A 153 -9.562 -7.353 -9.278 1.00 70.03 C ATOM 2445 O LEU A 153 -10.754 -7.197 -9.550 1.00 72.30 O ATOM 2446 CB LEU A 153 -9.637 -9.705 -8.361 1.00 74.13 C ATOM 2447 CG LEU A 153 -9.036 -10.803 -7.434 1.00 1.34 C ATOM 2448 CD1 LEU A 153 -9.594 -12.204 -7.777 1.00 30.53 C ATOM 2449 CD2 LEU A 153 -7.504 -10.792 -7.515 1.00 74.04 C ATOM 0 H LEU A 153 -10.335 -8.356 -6.322 1.00 2.21 H new ATOM 0 HA LEU A 153 -8.096 -8.251 -7.963 1.00 41.55 H new ATOM 0 HB2 LEU A 153 -10.723 -9.744 -8.276 1.00 74.13 H new ATOM 0 HB3 LEU A 153 -9.388 -9.955 -9.392 1.00 74.13 H new ATOM 0 HG LEU A 153 -9.333 -10.575 -6.410 1.00 1.34 H new ATOM 0 HD11 LEU A 153 -9.153 -12.945 -7.110 1.00 30.53 H new ATOM 0 HD12 LEU A 153 -10.677 -12.204 -7.654 1.00 30.53 H new ATOM 0 HD13 LEU A 153 -9.346 -12.452 -8.809 1.00 30.53 H new ATOM 0 HD21 LEU A 153 -7.100 -11.565 -6.862 1.00 74.04 H new ATOM 0 HD22 LEU A 153 -7.193 -10.985 -8.542 1.00 74.04 H new ATOM 0 HD23 LEU A 153 -7.130 -9.818 -7.200 1.00 74.04 H new