USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot -15:sc= 0.868 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.368 X(o=0.5,f=0.32) USER MOD Set 2.1: A 13 HIS : no HD1:sc= 0.0148 K(o=1.7,f=-9.1!) USER MOD Set 2.2: A 65 SER OG : rot -108:sc= 2.05 USER MOD Set 2.3: A 67 CYS SG : rot 39:sc= -1.32! USER MOD Set 2.4: A 69 SER OG : rot 90:sc= 0.987 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 165:sc= 2.32 (180deg=0.937) USER MOD Set 3.2: A 26 SER OG : rot 70:sc= -0.135 USER MOD Single : A 11 CYS SG : rot -3:sc= -0.127 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-3.6) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.8!) USER MOD Single : A 21 SER OG : rot -80:sc= 1.2 USER MOD Single : A 25 SER OG : rot -48:sc= 1.14 USER MOD Single : A 29 GLN : amide:sc= -0.26 X(o=-0.26,f=0.018) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.05) USER MOD Single : A 44 ASN : amide:sc= -0.0861 K(o=-0.086,f=-1.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.56 USER MOD Single : A 48 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.89) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0166 (180deg=-0.187) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 85:sc= 0.0221 USER MOD Single : A 59 SER OG : rot 62:sc= 0.642 USER MOD Single : A 62 SER OG : rot 79:sc= -0.084 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0628 F(o=-1.4!,f=-0.063) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 140:sc= 0.993 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.161 F(o=-1.1,f=-0.16) USER MOD Single : A 84 MET CE :methyl 166:sc= -0.629 (180deg=-1.1) USER MOD Single : A 85 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.52) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc=-0.000826 (180deg=-0.116) USER MOD Single : A 97 THR OG1 : rot -44:sc= 0.949 USER MOD Single : A 100 MET CE :methyl 168:sc= -1.71 (180deg=-2.23) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -165:sc= 0.952 USER MOD Single : A 116 THR OG1 : rot 117:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 14.030 10.314 10.370 1.00 41.21 N ATOM 86 CA ALA A 7 13.951 9.091 11.153 1.00 4.45 C ATOM 87 C ALA A 7 12.501 8.672 11.361 1.00 60.31 C ATOM 88 O ALA A 7 12.215 7.520 11.685 1.00 73.22 O ATOM 89 CB ALA A 7 14.651 9.271 12.490 1.00 73.43 C ATOM 0 HA ALA A 7 14.456 8.299 10.600 1.00 4.45 H new ATOM 0 HB1 ALA A 7 14.583 8.347 13.064 1.00 73.43 H new ATOM 0 HB2 ALA A 7 15.699 9.517 12.322 1.00 73.43 H new ATOM 0 HB3 ALA A 7 14.173 10.079 13.045 1.00 73.43 H new ATOM 95 N ARG A 8 11.597 9.617 11.170 1.00 13.15 N ATOM 96 CA ARG A 8 10.173 9.372 11.315 1.00 34.33 C ATOM 97 C ARG A 8 9.415 10.107 10.221 1.00 60.34 C ATOM 98 O ARG A 8 9.564 11.319 10.065 1.00 64.33 O ATOM 99 CB ARG A 8 9.699 9.831 12.698 1.00 70.20 C ATOM 100 CG ARG A 8 8.212 9.629 12.952 1.00 51.34 C ATOM 101 CD ARG A 8 7.832 10.056 14.360 1.00 44.33 C ATOM 102 NE ARG A 8 8.548 9.283 15.377 1.00 24.53 N ATOM 103 CZ ARG A 8 8.624 9.614 16.667 1.00 31.35 C ATOM 104 NH1 ARG A 8 8.011 10.700 17.117 1.00 15.44 N ATOM 105 NH2 ARG A 8 9.309 8.852 17.507 1.00 12.44 N ATOM 0 H ARG A 8 11.830 10.576 10.910 1.00 13.15 H new ATOM 0 HA ARG A 8 9.979 8.303 11.222 1.00 34.33 H new ATOM 0 HB2 ARG A 8 10.262 9.291 13.459 1.00 70.20 H new ATOM 0 HB3 ARG A 8 9.935 10.888 12.817 1.00 70.20 H new ATOM 0 HG2 ARG A 8 7.635 10.203 12.227 1.00 51.34 H new ATOM 0 HG3 ARG A 8 7.955 8.580 12.805 1.00 51.34 H new ATOM 0 HD2 ARG A 8 8.050 11.116 14.489 1.00 44.33 H new ATOM 0 HD3 ARG A 8 6.758 9.932 14.499 1.00 44.33 H new ATOM 0 HE ARG A 8 9.022 8.431 15.078 1.00 24.53 H new ATOM 0 HH11 ARG A 8 7.478 11.287 16.476 1.00 15.44 H new ATOM 0 HH12 ARG A 8 8.073 10.948 18.104 1.00 15.44 H new ATOM 0 HH21 ARG A 8 9.778 8.012 17.167 1.00 12.44 H new ATOM 0 HH22 ARG A 8 9.367 9.105 18.493 1.00 12.44 H new ATOM 119 N VAL A 9 8.622 9.376 9.453 1.00 70.14 N ATOM 120 CA VAL A 9 7.876 9.970 8.346 1.00 53.11 C ATOM 121 C VAL A 9 6.454 9.428 8.289 1.00 61.15 C ATOM 122 O VAL A 9 6.162 8.362 8.837 1.00 15.40 O ATOM 123 CB VAL A 9 8.560 9.697 6.974 1.00 62.13 C ATOM 124 CG1 VAL A 9 9.978 10.245 6.946 1.00 60.45 C ATOM 125 CG2 VAL A 9 8.554 8.210 6.646 1.00 2.31 C ATOM 0 H VAL A 9 8.476 8.374 9.572 1.00 70.14 H new ATOM 0 HA VAL A 9 7.858 11.044 8.530 1.00 53.11 H new ATOM 0 HB VAL A 9 7.982 10.217 6.210 1.00 62.13 H new ATOM 0 HG11 VAL A 9 10.429 10.039 5.975 1.00 60.45 H new ATOM 0 HG12 VAL A 9 9.955 11.322 7.114 1.00 60.45 H new ATOM 0 HG13 VAL A 9 10.568 9.768 7.729 1.00 60.45 H new ATOM 0 HG21 VAL A 9 9.038 8.048 5.683 1.00 2.31 H new ATOM 0 HG22 VAL A 9 9.094 7.665 7.420 1.00 2.31 H new ATOM 0 HG23 VAL A 9 7.526 7.852 6.600 1.00 2.31 H new ATOM 135 N ARG A 10 5.571 10.170 7.642 1.00 64.34 N ATOM 136 CA ARG A 10 4.209 9.725 7.438 1.00 73.13 C ATOM 137 C ARG A 10 4.064 9.168 6.035 1.00 60.41 C ATOM 138 O ARG A 10 4.537 9.773 5.063 1.00 63.31 O ATOM 139 CB ARG A 10 3.211 10.873 7.640 1.00 34.44 C ATOM 140 CG ARG A 10 1.769 10.471 7.364 1.00 31.34 C ATOM 141 CD ARG A 10 0.841 11.671 7.310 1.00 31.51 C ATOM 142 NE ARG A 10 -0.523 11.274 6.961 1.00 32.01 N ATOM 143 CZ ARG A 10 -1.356 11.990 6.198 1.00 52.45 C ATOM 144 NH1 ARG A 10 -0.972 13.154 5.694 1.00 74.50 N ATOM 145 NH2 ARG A 10 -2.572 11.530 5.938 1.00 60.10 N ATOM 0 H ARG A 10 5.778 11.088 7.248 1.00 64.34 H new ATOM 0 HA ARG A 10 3.989 8.950 8.173 1.00 73.13 H new ATOM 0 HB2 ARG A 10 3.290 11.238 8.664 1.00 34.44 H new ATOM 0 HB3 ARG A 10 3.482 11.701 6.985 1.00 34.44 H new ATOM 0 HG2 ARG A 10 1.718 9.932 6.418 1.00 31.34 H new ATOM 0 HG3 ARG A 10 1.429 9.786 8.140 1.00 31.34 H new ATOM 0 HD2 ARG A 10 0.839 12.175 8.276 1.00 31.51 H new ATOM 0 HD3 ARG A 10 1.212 12.387 6.577 1.00 31.51 H new ATOM 0 HE ARG A 10 -0.864 10.385 7.327 1.00 32.01 H new ATOM 0 HH11 ARG A 10 -0.036 13.509 5.887 1.00 74.50 H new ATOM 0 HH12 ARG A 10 -1.613 13.694 5.113 1.00 74.50 H new ATOM 0 HH21 ARG A 10 -2.870 10.632 6.320 1.00 60.10 H new ATOM 0 HH22 ARG A 10 -3.209 12.074 5.356 1.00 60.10 H new ATOM 159 N CYS A 11 3.437 8.022 5.926 1.00 61.52 N ATOM 160 CA CYS A 11 3.211 7.405 4.643 1.00 10.20 C ATOM 161 C CYS A 11 1.839 6.755 4.604 1.00 20.44 C ATOM 162 O CYS A 11 1.404 6.130 5.577 1.00 11.02 O ATOM 163 CB CYS A 11 4.294 6.362 4.338 1.00 32.33 C ATOM 164 SG CYS A 11 5.982 7.018 4.293 1.00 23.12 S ATOM 0 H CYS A 11 3.071 7.494 6.719 1.00 61.52 H new ATOM 0 HA CYS A 11 3.258 8.183 3.881 1.00 10.20 H new ATOM 0 HB2 CYS A 11 4.244 5.575 5.091 1.00 32.33 H new ATOM 0 HB3 CYS A 11 4.073 5.898 3.377 1.00 32.33 H new ATOM 0 HG CYS A 11 5.952 8.306 4.468 1.00 23.12 H new ATOM 170 N SER A 12 1.152 6.928 3.501 1.00 14.32 N ATOM 171 CA SER A 12 -0.137 6.308 3.305 1.00 10.52 C ATOM 172 C SER A 12 0.061 5.057 2.456 1.00 14.24 C ATOM 173 O SER A 12 1.098 4.921 1.800 1.00 44.32 O ATOM 174 CB SER A 12 -1.084 7.293 2.631 1.00 34.25 C ATOM 175 OG SER A 12 -1.094 8.534 3.328 1.00 2.34 O ATOM 0 H SER A 12 1.468 7.499 2.717 1.00 14.32 H new ATOM 0 HA SER A 12 -0.581 6.025 4.260 1.00 10.52 H new ATOM 0 HB2 SER A 12 -0.777 7.452 1.598 1.00 34.25 H new ATOM 0 HB3 SER A 12 -2.091 6.877 2.603 1.00 34.25 H new ATOM 0 HG SER A 12 -1.706 9.155 2.881 1.00 2.34 H new ATOM 181 N HIS A 13 -0.895 4.136 2.456 1.00 34.53 N ATOM 182 CA HIS A 13 -0.683 2.898 1.719 1.00 3.24 C ATOM 183 C HIS A 13 -1.974 2.242 1.242 1.00 22.42 C ATOM 184 O HIS A 13 -3.046 2.452 1.808 1.00 53.33 O ATOM 185 CB HIS A 13 0.104 1.885 2.589 1.00 14.30 C ATOM 186 CG HIS A 13 -0.735 1.162 3.620 1.00 63.04 C ATOM 187 ND1 HIS A 13 -0.677 -0.203 3.818 1.00 3.04 N ATOM 188 CD2 HIS A 13 -1.656 1.621 4.504 1.00 31.41 C ATOM 189 CE1 HIS A 13 -1.524 -0.546 4.768 1.00 41.35 C ATOM 190 NE2 HIS A 13 -2.127 0.538 5.198 1.00 50.45 N ATOM 0 H HIS A 13 -1.791 4.216 2.938 1.00 34.53 H new ATOM 0 HA HIS A 13 -0.113 3.173 0.832 1.00 3.24 H new ATOM 0 HB2 HIS A 13 0.569 1.147 1.935 1.00 14.30 H new ATOM 0 HB3 HIS A 13 0.910 2.412 3.099 1.00 14.30 H new ATOM 0 HD2 HIS A 13 -1.961 2.649 4.636 1.00 31.41 H new ATOM 0 HE1 HIS A 13 -1.693 -1.549 5.131 1.00 41.35 H new ATOM 0 HE2 HIS A 13 -2.834 0.569 5.932 1.00 50.45 H new ATOM 199 N LEU A 14 -1.837 1.442 0.199 1.00 2.35 N ATOM 200 CA LEU A 14 -2.905 0.581 -0.272 1.00 22.22 C ATOM 201 C LEU A 14 -2.518 -0.840 0.061 1.00 60.34 C ATOM 202 O LEU A 14 -1.323 -1.177 0.055 1.00 41.54 O ATOM 203 CB LEU A 14 -3.132 0.691 -1.797 1.00 53.15 C ATOM 204 CG LEU A 14 -3.728 2.002 -2.331 1.00 51.05 C ATOM 205 CD1 LEU A 14 -4.923 2.433 -1.511 1.00 60.34 C ATOM 206 CD2 LEU A 14 -2.683 3.097 -2.398 1.00 14.14 C ATOM 0 H LEU A 14 -0.978 1.372 -0.346 1.00 2.35 H new ATOM 0 HA LEU A 14 -3.833 0.884 0.212 1.00 22.22 H new ATOM 0 HB2 LEU A 14 -2.174 0.530 -2.292 1.00 53.15 H new ATOM 0 HB3 LEU A 14 -3.788 -0.125 -2.099 1.00 53.15 H new ATOM 0 HG LEU A 14 -4.074 1.817 -3.348 1.00 51.05 H new ATOM 0 HD11 LEU A 14 -5.323 3.364 -1.913 1.00 60.34 H new ATOM 0 HD12 LEU A 14 -5.690 1.660 -1.552 1.00 60.34 H new ATOM 0 HD13 LEU A 14 -4.618 2.586 -0.476 1.00 60.34 H new ATOM 0 HD21 LEU A 14 -3.138 4.011 -2.780 1.00 14.14 H new ATOM 0 HD22 LEU A 14 -2.283 3.280 -1.401 1.00 14.14 H new ATOM 0 HD23 LEU A 14 -1.875 2.789 -3.062 1.00 14.14 H new ATOM 218 N LEU A 15 -3.484 -1.662 0.375 1.00 1.31 N ATOM 219 CA LEU A 15 -3.205 -3.037 0.703 1.00 31.30 C ATOM 220 C LEU A 15 -4.095 -3.951 -0.111 1.00 35.25 C ATOM 221 O LEU A 15 -5.293 -4.023 0.116 1.00 4.42 O ATOM 222 CB LEU A 15 -3.400 -3.272 2.216 1.00 1.43 C ATOM 223 CG LEU A 15 -2.807 -4.572 2.810 1.00 62.22 C ATOM 224 CD1 LEU A 15 -3.619 -5.794 2.417 1.00 55.23 C ATOM 225 CD2 LEU A 15 -1.363 -4.743 2.383 1.00 44.53 C ATOM 0 H LEU A 15 -4.470 -1.405 0.411 1.00 1.31 H new ATOM 0 HA LEU A 15 -2.167 -3.263 0.458 1.00 31.30 H new ATOM 0 HB2 LEU A 15 -2.963 -2.427 2.749 1.00 1.43 H new ATOM 0 HB3 LEU A 15 -4.470 -3.262 2.425 1.00 1.43 H new ATOM 0 HG LEU A 15 -2.848 -4.481 3.895 1.00 62.22 H new ATOM 0 HD11 LEU A 15 -3.169 -6.686 2.854 1.00 55.23 H new ATOM 0 HD12 LEU A 15 -4.640 -5.686 2.783 1.00 55.23 H new ATOM 0 HD13 LEU A 15 -3.631 -5.889 1.331 1.00 55.23 H new ATOM 0 HD21 LEU A 15 -0.964 -5.663 2.811 1.00 44.53 H new ATOM 0 HD22 LEU A 15 -1.309 -4.795 1.296 1.00 44.53 H new ATOM 0 HD23 LEU A 15 -0.776 -3.894 2.735 1.00 44.53 H new ATOM 237 N VAL A 16 -3.514 -4.620 -1.069 1.00 74.44 N ATOM 238 CA VAL A 16 -4.253 -5.552 -1.887 1.00 12.40 C ATOM 239 C VAL A 16 -3.805 -6.967 -1.575 1.00 62.31 C ATOM 240 O VAL A 16 -2.684 -7.363 -1.908 1.00 43.22 O ATOM 241 CB VAL A 16 -4.071 -5.255 -3.394 1.00 62.33 C ATOM 242 CG1 VAL A 16 -4.810 -6.277 -4.247 1.00 65.35 C ATOM 243 CG2 VAL A 16 -4.553 -3.848 -3.716 1.00 33.41 C ATOM 0 H VAL A 16 -2.525 -4.539 -1.306 1.00 74.44 H new ATOM 0 HA VAL A 16 -5.313 -5.443 -1.656 1.00 12.40 H new ATOM 0 HB VAL A 16 -3.009 -5.326 -3.628 1.00 62.33 H new ATOM 0 HG11 VAL A 16 -4.665 -6.044 -5.302 1.00 65.35 H new ATOM 0 HG12 VAL A 16 -4.421 -7.274 -4.039 1.00 65.35 H new ATOM 0 HG13 VAL A 16 -5.874 -6.246 -4.012 1.00 65.35 H new ATOM 0 HG21 VAL A 16 -4.419 -3.652 -4.780 1.00 33.41 H new ATOM 0 HG22 VAL A 16 -5.609 -3.758 -3.460 1.00 33.41 H new ATOM 0 HG23 VAL A 16 -3.977 -3.125 -3.139 1.00 33.41 H new ATOM 253 N LYS A 17 -4.665 -7.719 -0.906 1.00 45.31 N ATOM 254 CA LYS A 17 -4.341 -9.085 -0.534 1.00 54.13 C ATOM 255 C LYS A 17 -4.438 -10.016 -1.726 1.00 62.22 C ATOM 256 O LYS A 17 -4.981 -9.660 -2.777 1.00 60.54 O ATOM 257 CB LYS A 17 -5.263 -9.608 0.575 1.00 34.21 C ATOM 258 CG LYS A 17 -5.168 -8.876 1.900 1.00 64.25 C ATOM 259 CD LYS A 17 -5.858 -9.673 3.002 1.00 10.11 C ATOM 260 CE LYS A 17 -5.928 -8.900 4.310 1.00 55.11 C ATOM 261 NZ LYS A 17 -6.860 -7.751 4.225 1.00 31.24 N ATOM 0 H LYS A 17 -5.590 -7.407 -0.611 1.00 45.31 H new ATOM 0 HA LYS A 17 -3.316 -9.068 -0.165 1.00 54.13 H new ATOM 0 HB2 LYS A 17 -6.293 -9.554 0.223 1.00 34.21 H new ATOM 0 HB3 LYS A 17 -5.038 -10.661 0.744 1.00 34.21 H new ATOM 0 HG2 LYS A 17 -4.121 -8.716 2.160 1.00 64.25 H new ATOM 0 HG3 LYS A 17 -5.628 -7.892 1.812 1.00 64.25 H new ATOM 0 HD2 LYS A 17 -6.866 -9.935 2.682 1.00 10.11 H new ATOM 0 HD3 LYS A 17 -5.322 -10.608 3.162 1.00 10.11 H new ATOM 0 HE2 LYS A 17 -6.248 -9.568 5.110 1.00 55.11 H new ATOM 0 HE3 LYS A 17 -4.933 -8.541 4.573 1.00 55.11 H new ATOM 0 HZ1 LYS A 17 -7.076 -7.407 5.183 1.00 31.24 H new ATOM 0 HZ2 LYS A 17 -6.420 -6.987 3.674 1.00 31.24 H new ATOM 0 HZ3 LYS A 17 -7.740 -8.051 3.759 1.00 31.24 H new ATOM 275 N HIS A 18 -3.912 -11.205 -1.550 1.00 61.21 N ATOM 276 CA HIS A 18 -3.978 -12.241 -2.554 1.00 1.15 C ATOM 277 C HIS A 18 -4.237 -13.578 -1.887 1.00 60.25 C ATOM 278 O HIS A 18 -3.942 -13.746 -0.699 1.00 13.22 O ATOM 279 CB HIS A 18 -2.698 -12.290 -3.428 1.00 71.43 C ATOM 280 CG HIS A 18 -1.392 -12.339 -2.670 1.00 22.43 C ATOM 281 ND1 HIS A 18 -1.204 -13.057 -1.507 1.00 73.52 N ATOM 282 CD2 HIS A 18 -0.201 -11.744 -2.932 1.00 53.25 C ATOM 283 CE1 HIS A 18 0.039 -12.898 -1.093 1.00 22.05 C ATOM 284 NE2 HIS A 18 0.665 -12.110 -1.936 1.00 42.41 N ATOM 0 H HIS A 18 -3.422 -11.483 -0.700 1.00 61.21 H new ATOM 0 HA HIS A 18 -4.803 -12.010 -3.227 1.00 1.15 H new ATOM 0 HB2 HIS A 18 -2.755 -13.165 -4.075 1.00 71.43 H new ATOM 0 HB3 HIS A 18 -2.689 -11.414 -4.076 1.00 71.43 H new ATOM 0 HD1 HIS A 18 -1.914 -13.622 -1.041 1.00 73.52 H new ATOM 0 HD2 HIS A 18 0.023 -11.101 -3.770 1.00 53.25 H new ATOM 0 HE1 HIS A 18 0.470 -13.342 -0.208 1.00 22.05 H new ATOM 293 N SER A 19 -4.769 -14.519 -2.649 1.00 54.43 N ATOM 294 CA SER A 19 -5.118 -15.852 -2.150 1.00 22.35 C ATOM 295 C SER A 19 -3.929 -16.548 -1.475 1.00 61.45 C ATOM 296 O SER A 19 -4.103 -17.372 -0.580 1.00 24.34 O ATOM 297 CB SER A 19 -5.626 -16.696 -3.314 1.00 62.22 C ATOM 298 OG SER A 19 -4.729 -16.614 -4.413 1.00 23.44 O ATOM 0 H SER A 19 -4.975 -14.385 -3.639 1.00 54.43 H new ATOM 0 HA SER A 19 -5.894 -15.741 -1.393 1.00 22.35 H new ATOM 0 HB2 SER A 19 -5.732 -17.734 -3.000 1.00 62.22 H new ATOM 0 HB3 SER A 19 -6.615 -16.352 -3.617 1.00 62.22 H new ATOM 0 HG SER A 19 -5.067 -17.162 -5.152 1.00 23.44 H new ATOM 304 N GLN A 20 -2.734 -16.187 -1.905 1.00 73.44 N ATOM 305 CA GLN A 20 -1.491 -16.772 -1.400 1.00 2.32 C ATOM 306 C GLN A 20 -1.106 -16.203 -0.019 1.00 23.24 C ATOM 307 O GLN A 20 0.051 -15.875 0.220 1.00 15.13 O ATOM 308 CB GLN A 20 -0.376 -16.481 -2.399 1.00 33.50 C ATOM 309 CG GLN A 20 -0.709 -16.888 -3.824 1.00 4.15 C ATOM 310 CD GLN A 20 0.251 -16.298 -4.832 1.00 52.22 C ATOM 311 OE1 GLN A 20 0.793 -15.210 -4.626 1.00 3.34 O ATOM 312 NE2 GLN A 20 0.463 -16.997 -5.921 1.00 23.14 N ATOM 0 H GLN A 20 -2.590 -15.474 -2.620 1.00 73.44 H new ATOM 0 HA GLN A 20 -1.638 -17.846 -1.283 1.00 2.32 H new ATOM 0 HB2 GLN A 20 -0.152 -15.415 -2.379 1.00 33.50 H new ATOM 0 HB3 GLN A 20 0.527 -17.003 -2.083 1.00 33.50 H new ATOM 0 HG2 GLN A 20 -0.691 -17.975 -3.902 1.00 4.15 H new ATOM 0 HG3 GLN A 20 -1.723 -16.568 -4.062 1.00 4.15 H new ATOM 0 HE21 GLN A 20 -0.006 -17.893 -6.051 1.00 23.14 H new ATOM 0 HE22 GLN A 20 1.097 -16.645 -6.638 1.00 23.14 H new ATOM 321 N SER A 21 -2.066 -16.105 0.879 1.00 42.03 N ATOM 322 CA SER A 21 -1.811 -15.583 2.212 1.00 64.41 C ATOM 323 C SER A 21 -2.404 -16.514 3.266 1.00 25.33 C ATOM 324 O SER A 21 -3.126 -17.454 2.925 1.00 55.31 O ATOM 325 CB SER A 21 -2.400 -14.173 2.349 1.00 55.04 C ATOM 326 OG SER A 21 -3.781 -14.162 2.018 1.00 24.21 O ATOM 0 H SER A 21 -3.034 -16.380 0.711 1.00 42.03 H new ATOM 0 HA SER A 21 -0.734 -15.526 2.368 1.00 64.41 H new ATOM 0 HB2 SER A 21 -2.265 -13.817 3.370 1.00 55.04 H new ATOM 0 HB3 SER A 21 -1.861 -13.485 1.697 1.00 55.04 H new ATOM 0 HG SER A 21 -3.884 -14.143 1.044 1.00 24.21 H new ATOM 332 N ARG A 22 -2.095 -16.260 4.540 1.00 3.32 N ATOM 333 CA ARG A 22 -2.626 -17.086 5.630 1.00 72.15 C ATOM 334 C ARG A 22 -4.143 -16.943 5.733 1.00 73.42 C ATOM 335 O ARG A 22 -4.825 -17.829 6.249 1.00 45.02 O ATOM 336 CB ARG A 22 -1.971 -16.741 6.993 1.00 31.31 C ATOM 337 CG ARG A 22 -2.461 -15.441 7.643 1.00 14.23 C ATOM 338 CD ARG A 22 -1.961 -14.218 6.905 1.00 42.30 C ATOM 339 NE ARG A 22 -2.484 -12.972 7.460 1.00 55.33 N ATOM 340 CZ ARG A 22 -1.975 -11.772 7.185 1.00 61.31 C ATOM 341 NH1 ARG A 22 -0.900 -11.675 6.413 1.00 42.41 N ATOM 342 NH2 ARG A 22 -2.531 -10.674 7.693 1.00 11.15 N ATOM 0 H ARG A 22 -1.487 -15.498 4.841 1.00 3.32 H new ATOM 0 HA ARG A 22 -2.380 -18.121 5.391 1.00 72.15 H new ATOM 0 HB2 ARG A 22 -2.152 -17.564 7.684 1.00 31.31 H new ATOM 0 HB3 ARG A 22 -0.892 -16.674 6.853 1.00 31.31 H new ATOM 0 HG2 ARG A 22 -3.551 -15.433 7.662 1.00 14.23 H new ATOM 0 HG3 ARG A 22 -2.124 -15.403 8.679 1.00 14.23 H new ATOM 0 HD2 ARG A 22 -0.872 -14.198 6.940 1.00 42.30 H new ATOM 0 HD3 ARG A 22 -2.245 -14.291 5.855 1.00 42.30 H new ATOM 0 HE ARG A 22 -3.282 -13.024 8.093 1.00 55.33 H new ATOM 0 HH11 ARG A 22 -0.467 -12.517 6.033 1.00 42.41 H new ATOM 0 HH12 ARG A 22 -0.506 -10.759 6.199 1.00 42.41 H new ATOM 0 HH21 ARG A 22 -3.350 -10.749 8.296 1.00 11.15 H new ATOM 0 HH22 ARG A 22 -2.137 -9.758 7.479 1.00 11.15 H new ATOM 356 N ARG A 23 -4.659 -15.825 5.240 1.00 21.23 N ATOM 357 CA ARG A 23 -6.081 -15.556 5.274 1.00 3.23 C ATOM 358 C ARG A 23 -6.404 -14.349 4.401 1.00 4.14 C ATOM 359 O ARG A 23 -6.171 -13.207 4.795 1.00 54.00 O ATOM 360 CB ARG A 23 -6.545 -15.302 6.713 1.00 21.42 C ATOM 361 CG ARG A 23 -8.055 -15.303 6.884 1.00 54.22 C ATOM 362 CD ARG A 23 -8.642 -16.687 6.635 1.00 70.45 C ATOM 363 NE ARG A 23 -10.097 -16.705 6.796 1.00 5.21 N ATOM 364 CZ ARG A 23 -10.836 -17.821 6.876 1.00 3.34 C ATOM 365 NH1 ARG A 23 -10.257 -19.017 6.799 1.00 32.13 N ATOM 366 NH2 ARG A 23 -12.153 -17.735 7.026 1.00 32.44 N ATOM 0 H ARG A 23 -4.103 -15.086 4.809 1.00 21.23 H new ATOM 0 HA ARG A 23 -6.609 -16.428 4.887 1.00 3.23 H new ATOM 0 HB2 ARG A 23 -6.115 -16.065 7.362 1.00 21.42 H new ATOM 0 HB3 ARG A 23 -6.152 -14.341 7.046 1.00 21.42 H new ATOM 0 HG2 ARG A 23 -8.309 -14.975 7.892 1.00 54.22 H new ATOM 0 HG3 ARG A 23 -8.501 -14.587 6.194 1.00 54.22 H new ATOM 0 HD2 ARG A 23 -8.385 -17.013 5.627 1.00 70.45 H new ATOM 0 HD3 ARG A 23 -8.192 -17.401 7.325 1.00 70.45 H new ATOM 0 HE ARG A 23 -10.581 -15.809 6.851 1.00 5.21 H new ATOM 0 HH11 ARG A 23 -9.247 -19.088 6.679 1.00 32.13 H new ATOM 0 HH12 ARG A 23 -10.824 -19.863 6.860 1.00 32.13 H new ATOM 0 HH21 ARG A 23 -12.601 -16.820 7.080 1.00 32.44 H new ATOM 0 HH22 ARG A 23 -12.716 -18.583 7.087 1.00 32.44 H new ATOM 380 N PRO A 24 -6.933 -14.587 3.199 1.00 52.34 N ATOM 381 CA PRO A 24 -7.283 -13.521 2.261 1.00 52.43 C ATOM 382 C PRO A 24 -8.642 -12.886 2.588 1.00 13.20 C ATOM 383 O PRO A 24 -9.406 -12.531 1.694 1.00 62.31 O ATOM 384 CB PRO A 24 -7.345 -14.260 0.926 1.00 54.23 C ATOM 385 CG PRO A 24 -7.782 -15.640 1.278 1.00 74.53 C ATOM 386 CD PRO A 24 -7.223 -15.927 2.648 1.00 72.30 C ATOM 0 HA PRO A 24 -6.573 -12.694 2.281 1.00 52.43 H new ATOM 0 HB2 PRO A 24 -8.048 -13.784 0.242 1.00 54.23 H new ATOM 0 HB3 PRO A 24 -6.374 -14.266 0.431 1.00 54.23 H new ATOM 0 HG2 PRO A 24 -8.869 -15.715 1.279 1.00 74.53 H new ATOM 0 HG3 PRO A 24 -7.413 -16.362 0.549 1.00 74.53 H new ATOM 0 HD2 PRO A 24 -7.939 -16.467 3.267 1.00 72.30 H new ATOM 0 HD3 PRO A 24 -6.323 -16.540 2.592 1.00 72.30 H new ATOM 394 N SER A 25 -8.916 -12.725 3.865 1.00 32.11 N ATOM 395 CA SER A 25 -10.174 -12.168 4.314 1.00 44.03 C ATOM 396 C SER A 25 -10.093 -10.649 4.450 1.00 73.43 C ATOM 397 O SER A 25 -9.266 -10.122 5.200 1.00 21.53 O ATOM 398 CB SER A 25 -10.574 -12.802 5.640 1.00 5.23 C ATOM 399 OG SER A 25 -10.740 -14.204 5.494 1.00 12.23 O ATOM 0 H SER A 25 -8.276 -12.975 4.619 1.00 32.11 H new ATOM 0 HA SER A 25 -10.934 -12.391 3.566 1.00 44.03 H new ATOM 0 HB2 SER A 25 -9.812 -12.597 6.392 1.00 5.23 H new ATOM 0 HB3 SER A 25 -11.502 -12.356 5.997 1.00 5.23 H new ATOM 0 HG SER A 25 -11.291 -14.388 4.704 1.00 12.23 H new ATOM 405 N SER A 26 -10.945 -9.956 3.715 1.00 75.21 N ATOM 406 CA SER A 26 -10.997 -8.509 3.753 1.00 63.14 C ATOM 407 C SER A 26 -12.449 -8.044 3.714 1.00 63.31 C ATOM 408 O SER A 26 -13.363 -8.867 3.661 1.00 10.03 O ATOM 409 CB SER A 26 -10.225 -7.930 2.575 1.00 61.21 C ATOM 410 OG SER A 26 -8.907 -8.456 2.528 1.00 71.12 O ATOM 0 H SER A 26 -11.618 -10.381 3.077 1.00 75.21 H new ATOM 0 HA SER A 26 -10.539 -8.157 4.677 1.00 63.14 H new ATOM 0 HB2 SER A 26 -10.746 -8.159 1.645 1.00 61.21 H new ATOM 0 HB3 SER A 26 -10.185 -6.844 2.659 1.00 61.21 H new ATOM 0 HG SER A 26 -8.941 -9.402 2.274 1.00 71.12 H new ATOM 416 N TRP A 27 -12.664 -6.739 3.735 1.00 4.44 N ATOM 417 CA TRP A 27 -14.015 -6.201 3.722 1.00 24.25 C ATOM 418 C TRP A 27 -14.656 -6.292 2.331 1.00 32.10 C ATOM 419 O TRP A 27 -15.880 -6.372 2.213 1.00 70.32 O ATOM 420 CB TRP A 27 -14.044 -4.758 4.254 1.00 62.01 C ATOM 421 CG TRP A 27 -13.349 -3.752 3.385 1.00 11.13 C ATOM 422 CD1 TRP A 27 -12.003 -3.583 3.230 1.00 73.33 C ATOM 423 CD2 TRP A 27 -13.974 -2.759 2.569 1.00 52.00 C ATOM 424 NE1 TRP A 27 -11.758 -2.554 2.359 1.00 60.40 N ATOM 425 CE2 TRP A 27 -12.951 -2.031 1.940 1.00 31.41 C ATOM 426 CE3 TRP A 27 -15.304 -2.419 2.304 1.00 64.31 C ATOM 427 CZ2 TRP A 27 -13.214 -0.982 1.066 1.00 54.02 C ATOM 428 CZ3 TRP A 27 -15.563 -1.377 1.438 1.00 74.25 C ATOM 429 CH2 TRP A 27 -14.524 -0.671 0.827 1.00 41.31 C ATOM 0 H TRP A 27 -11.926 -6.036 3.761 1.00 4.44 H new ATOM 0 HA TRP A 27 -14.613 -6.819 4.392 1.00 24.25 H new ATOM 0 HB2 TRP A 27 -15.083 -4.453 4.379 1.00 62.01 H new ATOM 0 HB3 TRP A 27 -13.586 -4.741 5.243 1.00 62.01 H new ATOM 0 HD1 TRP A 27 -11.244 -4.173 3.721 1.00 73.33 H new ATOM 0 HE1 TRP A 27 -10.835 -2.230 2.070 1.00 60.40 H new ATOM 0 HE3 TRP A 27 -16.114 -2.962 2.769 1.00 64.31 H new ATOM 0 HZ2 TRP A 27 -12.413 -0.433 0.593 1.00 54.02 H new ATOM 0 HZ3 TRP A 27 -16.586 -1.102 1.229 1.00 74.25 H new ATOM 0 HH2 TRP A 27 -14.760 0.138 0.151 1.00 41.31 H new ATOM 440 N ARG A 28 -13.830 -6.282 1.279 1.00 72.24 N ATOM 441 CA ARG A 28 -14.348 -6.402 -0.085 1.00 70.21 C ATOM 442 C ARG A 28 -14.711 -7.847 -0.396 1.00 2.32 C ATOM 443 O ARG A 28 -15.687 -8.116 -1.089 1.00 52.11 O ATOM 444 CB ARG A 28 -13.345 -5.874 -1.120 1.00 64.45 C ATOM 445 CG ARG A 28 -13.106 -4.373 -1.045 1.00 33.10 C ATOM 446 CD ARG A 28 -12.393 -3.854 -2.290 1.00 51.40 C ATOM 447 NE ARG A 28 -11.039 -4.396 -2.439 1.00 70.32 N ATOM 448 CZ ARG A 28 -10.240 -4.150 -3.489 1.00 23.35 C ATOM 449 NH1 ARG A 28 -10.679 -3.418 -4.511 1.00 64.34 N ATOM 450 NH2 ARG A 28 -9.013 -4.646 -3.521 1.00 11.31 N ATOM 0 H ARG A 28 -12.816 -6.193 1.345 1.00 72.24 H new ATOM 0 HA ARG A 28 -15.248 -5.790 -0.147 1.00 70.21 H new ATOM 0 HB2 ARG A 28 -12.394 -6.390 -0.984 1.00 64.45 H new ATOM 0 HB3 ARG A 28 -13.704 -6.124 -2.118 1.00 64.45 H new ATOM 0 HG2 ARG A 28 -14.060 -3.858 -0.930 1.00 33.10 H new ATOM 0 HG3 ARG A 28 -12.511 -4.143 -0.162 1.00 33.10 H new ATOM 0 HD2 ARG A 28 -12.980 -4.109 -3.172 1.00 51.40 H new ATOM 0 HD3 ARG A 28 -12.341 -2.766 -2.246 1.00 51.40 H new ATOM 0 HE ARG A 28 -10.681 -4.998 -1.698 1.00 70.32 H new ATOM 0 HH11 ARG A 28 -11.627 -3.041 -4.498 1.00 64.34 H new ATOM 0 HH12 ARG A 28 -10.068 -3.234 -5.306 1.00 64.34 H new ATOM 0 HH21 ARG A 28 -8.673 -5.216 -2.747 1.00 11.31 H new ATOM 0 HH22 ARG A 28 -8.408 -4.458 -4.320 1.00 11.31 H new ATOM 464 N GLN A 29 -13.919 -8.769 0.126 1.00 53.13 N ATOM 465 CA GLN A 29 -14.151 -10.196 -0.062 1.00 35.32 C ATOM 466 C GLN A 29 -13.679 -10.969 1.152 1.00 23.44 C ATOM 467 O GLN A 29 -12.548 -10.780 1.610 1.00 63.12 O ATOM 468 CB GLN A 29 -13.430 -10.717 -1.316 1.00 22.34 C ATOM 469 CG GLN A 29 -14.177 -10.470 -2.616 1.00 64.12 C ATOM 470 CD GLN A 29 -15.510 -11.194 -2.661 1.00 22.51 C ATOM 471 OE1 GLN A 29 -16.538 -10.654 -2.254 1.00 2.31 O ATOM 472 NE2 GLN A 29 -15.499 -12.420 -3.147 1.00 24.51 N ATOM 0 H GLN A 29 -13.098 -8.552 0.691 1.00 53.13 H new ATOM 0 HA GLN A 29 -15.223 -10.344 -0.193 1.00 35.32 H new ATOM 0 HB2 GLN A 29 -12.449 -10.245 -1.379 1.00 22.34 H new ATOM 0 HB3 GLN A 29 -13.262 -11.788 -1.205 1.00 22.34 H new ATOM 0 HG2 GLN A 29 -14.343 -9.400 -2.739 1.00 64.12 H new ATOM 0 HG3 GLN A 29 -13.561 -10.796 -3.454 1.00 64.12 H new ATOM 0 HE21 GLN A 29 -14.625 -12.831 -3.474 1.00 24.51 H new ATOM 0 HE22 GLN A 29 -16.365 -12.957 -3.196 1.00 24.51 H new ATOM 481 N GLU A 30 -14.543 -11.831 1.679 1.00 2.22 N ATOM 482 CA GLU A 30 -14.199 -12.654 2.835 1.00 4.43 C ATOM 483 C GLU A 30 -13.103 -13.652 2.473 1.00 71.23 C ATOM 484 O GLU A 30 -12.382 -14.145 3.339 1.00 4.30 O ATOM 485 CB GLU A 30 -15.434 -13.390 3.370 1.00 14.15 C ATOM 486 CG GLU A 30 -16.095 -14.314 2.360 1.00 13.21 C ATOM 487 CD GLU A 30 -17.214 -15.129 2.965 1.00 23.24 C ATOM 488 OE1 GLU A 30 -18.363 -14.647 2.998 1.00 52.31 O ATOM 489 OE2 GLU A 30 -16.953 -16.269 3.403 1.00 21.32 O ATOM 0 H GLU A 30 -15.488 -11.978 1.324 1.00 2.22 H new ATOM 0 HA GLU A 30 -13.827 -11.996 3.620 1.00 4.43 H new ATOM 0 HB2 GLU A 30 -15.145 -13.973 4.244 1.00 14.15 H new ATOM 0 HB3 GLU A 30 -16.165 -12.654 3.705 1.00 14.15 H new ATOM 0 HG2 GLU A 30 -16.487 -13.722 1.533 1.00 13.21 H new ATOM 0 HG3 GLU A 30 -15.345 -14.986 1.943 1.00 13.21 H new ATOM 496 N LYS A 31 -12.988 -13.942 1.190 1.00 62.44 N ATOM 497 CA LYS A 31 -11.961 -14.824 0.692 1.00 72.41 C ATOM 498 C LYS A 31 -11.488 -14.349 -0.666 1.00 41.20 C ATOM 499 O LYS A 31 -12.063 -14.704 -1.699 1.00 24.13 O ATOM 500 CB LYS A 31 -12.463 -16.265 0.600 1.00 64.10 C ATOM 501 CG LYS A 31 -11.404 -17.255 0.120 1.00 61.44 C ATOM 502 CD LYS A 31 -11.966 -18.662 -0.016 1.00 12.34 C ATOM 503 CE LYS A 31 -13.090 -18.714 -1.038 1.00 35.11 C ATOM 504 NZ LYS A 31 -13.660 -20.074 -1.168 1.00 14.42 N ATOM 0 H LYS A 31 -13.606 -13.571 0.468 1.00 62.44 H new ATOM 0 HA LYS A 31 -11.127 -14.804 1.393 1.00 72.41 H new ATOM 0 HB2 LYS A 31 -12.823 -16.578 1.580 1.00 64.10 H new ATOM 0 HB3 LYS A 31 -13.315 -16.301 -0.079 1.00 64.10 H new ATOM 0 HG2 LYS A 31 -11.009 -16.927 -0.841 1.00 61.44 H new ATOM 0 HG3 LYS A 31 -10.570 -17.263 0.821 1.00 61.44 H new ATOM 0 HD2 LYS A 31 -11.171 -19.346 -0.312 1.00 12.34 H new ATOM 0 HD3 LYS A 31 -12.336 -19.003 0.951 1.00 12.34 H new ATOM 0 HE2 LYS A 31 -13.877 -18.018 -0.747 1.00 35.11 H new ATOM 0 HE3 LYS A 31 -12.715 -18.384 -2.007 1.00 35.11 H new ATOM 0 HZ1 LYS A 31 -14.423 -20.065 -1.875 1.00 14.42 H new ATOM 0 HZ2 LYS A 31 -12.916 -20.735 -1.470 1.00 14.42 H new ATOM 0 HZ3 LYS A 31 -14.042 -20.379 -0.250 1.00 14.42 H new ATOM 518 N ILE A 32 -10.478 -13.512 -0.659 1.00 73.25 N ATOM 519 CA ILE A 32 -9.905 -13.001 -1.881 1.00 31.32 C ATOM 520 C ILE A 32 -9.235 -14.129 -2.662 1.00 33.04 C ATOM 521 O ILE A 32 -8.238 -14.702 -2.227 1.00 63.43 O ATOM 522 CB ILE A 32 -8.902 -11.867 -1.589 1.00 34.33 C ATOM 523 CG1 ILE A 32 -9.645 -10.654 -1.025 1.00 35.40 C ATOM 524 CG2 ILE A 32 -8.132 -11.492 -2.839 1.00 3.43 C ATOM 525 CD1 ILE A 32 -8.737 -9.548 -0.556 1.00 63.33 C ATOM 0 H ILE A 32 -10.032 -13.167 0.191 1.00 73.25 H new ATOM 0 HA ILE A 32 -10.708 -12.586 -2.490 1.00 31.32 H new ATOM 0 HB ILE A 32 -8.182 -12.216 -0.849 1.00 34.33 H new ATOM 0 HG12 ILE A 32 -10.314 -10.262 -1.791 1.00 35.40 H new ATOM 0 HG13 ILE A 32 -10.269 -10.977 -0.192 1.00 35.40 H new ATOM 0 HG21 ILE A 32 -7.431 -10.690 -2.608 1.00 3.43 H new ATOM 0 HG22 ILE A 32 -7.583 -12.361 -3.202 1.00 3.43 H new ATOM 0 HG23 ILE A 32 -8.828 -11.155 -3.608 1.00 3.43 H new ATOM 0 HD11 ILE A 32 -9.337 -8.724 -0.170 1.00 63.33 H new ATOM 0 HD12 ILE A 32 -8.085 -9.923 0.233 1.00 63.33 H new ATOM 0 HD13 ILE A 32 -8.131 -9.196 -1.391 1.00 63.33 H new ATOM 537 N THR A 33 -9.801 -14.440 -3.807 1.00 24.24 N ATOM 538 CA THR A 33 -9.337 -15.536 -4.624 1.00 55.21 C ATOM 539 C THR A 33 -8.365 -15.052 -5.714 1.00 23.15 C ATOM 540 O THR A 33 -7.884 -15.842 -6.529 1.00 45.32 O ATOM 541 CB THR A 33 -10.543 -16.242 -5.275 1.00 70.24 C ATOM 542 OG1 THR A 33 -11.637 -16.261 -4.335 1.00 40.34 O ATOM 543 CG2 THR A 33 -10.194 -17.675 -5.661 1.00 13.32 C ATOM 0 H THR A 33 -10.598 -13.938 -4.198 1.00 24.24 H new ATOM 0 HA THR A 33 -8.801 -16.235 -3.983 1.00 55.21 H new ATOM 0 HB THR A 33 -10.821 -15.698 -6.177 1.00 70.24 H new ATOM 0 HG1 THR A 33 -12.410 -16.707 -4.741 1.00 40.34 H new ATOM 0 HG21 THR A 33 -11.062 -18.150 -6.118 1.00 13.32 H new ATOM 0 HG22 THR A 33 -9.367 -17.669 -6.371 1.00 13.32 H new ATOM 0 HG23 THR A 33 -9.903 -18.231 -4.770 1.00 13.32 H new ATOM 551 N ARG A 34 -8.080 -13.757 -5.730 1.00 74.30 N ATOM 552 CA ARG A 34 -7.165 -13.206 -6.721 1.00 63.22 C ATOM 553 C ARG A 34 -5.721 -13.596 -6.384 1.00 21.21 C ATOM 554 O ARG A 34 -5.288 -13.496 -5.228 1.00 65.24 O ATOM 555 CB ARG A 34 -7.306 -11.670 -6.826 1.00 52.14 C ATOM 556 CG ARG A 34 -6.577 -10.891 -5.740 1.00 25.22 C ATOM 557 CD ARG A 34 -6.827 -9.395 -5.842 1.00 25.51 C ATOM 558 NE ARG A 34 -8.205 -9.028 -5.483 1.00 54.33 N ATOM 559 CZ ARG A 34 -8.531 -8.286 -4.410 1.00 53.52 C ATOM 560 NH1 ARG A 34 -7.592 -7.911 -3.544 1.00 73.42 N ATOM 561 NH2 ARG A 34 -9.794 -7.943 -4.191 1.00 2.13 N ATOM 0 H ARG A 34 -8.464 -13.075 -5.076 1.00 74.30 H new ATOM 0 HA ARG A 34 -7.425 -13.627 -7.692 1.00 63.22 H new ATOM 0 HB2 ARG A 34 -6.932 -11.350 -7.798 1.00 52.14 H new ATOM 0 HB3 ARG A 34 -8.365 -11.412 -6.791 1.00 52.14 H new ATOM 0 HG2 ARG A 34 -6.900 -11.246 -4.761 1.00 25.22 H new ATOM 0 HG3 ARG A 34 -5.507 -11.085 -5.812 1.00 25.22 H new ATOM 0 HD2 ARG A 34 -6.132 -8.868 -5.188 1.00 25.51 H new ATOM 0 HD3 ARG A 34 -6.620 -9.064 -6.860 1.00 25.51 H new ATOM 0 HE ARG A 34 -8.960 -9.357 -6.085 1.00 54.33 H new ATOM 0 HH11 ARG A 34 -6.621 -8.186 -3.693 1.00 73.42 H new ATOM 0 HH12 ARG A 34 -7.843 -7.348 -2.731 1.00 73.42 H new ATOM 0 HH21 ARG A 34 -10.523 -8.242 -4.838 1.00 2.13 H new ATOM 0 HH22 ARG A 34 -10.036 -7.380 -3.375 1.00 2.13 H new ATOM 575 N THR A 35 -4.993 -14.057 -7.377 1.00 22.42 N ATOM 576 CA THR A 35 -3.611 -14.441 -7.179 1.00 51.43 C ATOM 577 C THR A 35 -2.694 -13.211 -7.309 1.00 75.43 C ATOM 578 O THR A 35 -3.175 -12.096 -7.539 1.00 60.25 O ATOM 579 CB THR A 35 -3.184 -15.550 -8.184 1.00 4.10 C ATOM 580 OG1 THR A 35 -1.882 -16.049 -7.851 1.00 22.41 O ATOM 581 CG2 THR A 35 -3.177 -15.023 -9.613 1.00 3.52 C ATOM 0 H THR A 35 -5.334 -14.175 -8.331 1.00 22.42 H new ATOM 0 HA THR A 35 -3.513 -14.849 -6.173 1.00 51.43 H new ATOM 0 HB THR A 35 -3.911 -16.359 -8.115 1.00 4.10 H new ATOM 0 HG1 THR A 35 -1.626 -16.747 -8.490 1.00 22.41 H new ATOM 0 HG21 THR A 35 -2.875 -15.819 -10.293 1.00 3.52 H new ATOM 0 HG22 THR A 35 -4.176 -14.679 -9.879 1.00 3.52 H new ATOM 0 HG23 THR A 35 -2.475 -14.193 -9.691 1.00 3.52 H new ATOM 589 N LYS A 36 -1.389 -13.417 -7.160 1.00 34.51 N ATOM 590 CA LYS A 36 -0.413 -12.331 -7.236 1.00 60.02 C ATOM 591 C LYS A 36 -0.503 -11.587 -8.576 1.00 21.20 C ATOM 592 O LYS A 36 -0.534 -10.358 -8.605 1.00 51.10 O ATOM 593 CB LYS A 36 1.011 -12.873 -6.979 1.00 22.34 C ATOM 594 CG LYS A 36 2.142 -11.881 -7.243 1.00 12.43 C ATOM 595 CD LYS A 36 2.697 -12.040 -8.652 1.00 54.42 C ATOM 596 CE LYS A 36 3.751 -10.995 -8.964 1.00 12.34 C ATOM 597 NZ LYS A 36 4.340 -11.198 -10.306 1.00 32.42 N ATOM 0 H LYS A 36 -0.979 -14.334 -6.984 1.00 34.51 H new ATOM 0 HA LYS A 36 -0.646 -11.606 -6.456 1.00 60.02 H new ATOM 0 HB2 LYS A 36 1.075 -13.205 -5.943 1.00 22.34 H new ATOM 0 HB3 LYS A 36 1.166 -13.752 -7.605 1.00 22.34 H new ATOM 0 HG2 LYS A 36 1.776 -10.863 -7.106 1.00 12.43 H new ATOM 0 HG3 LYS A 36 2.940 -12.033 -6.516 1.00 12.43 H new ATOM 0 HD2 LYS A 36 3.128 -13.035 -8.763 1.00 54.42 H new ATOM 0 HD3 LYS A 36 1.884 -11.963 -9.374 1.00 54.42 H new ATOM 0 HE2 LYS A 36 3.307 -10.001 -8.908 1.00 12.34 H new ATOM 0 HE3 LYS A 36 4.538 -11.035 -8.211 1.00 12.34 H new ATOM 0 HZ1 LYS A 36 4.941 -10.385 -10.548 1.00 32.42 H new ATOM 0 HZ2 LYS A 36 4.914 -12.065 -10.306 1.00 32.42 H new ATOM 0 HZ3 LYS A 36 3.579 -11.287 -11.009 1.00 32.42 H new ATOM 611 N GLU A 37 -0.562 -12.335 -9.673 1.00 63.00 N ATOM 612 CA GLU A 37 -0.665 -11.737 -11.007 1.00 34.32 C ATOM 613 C GLU A 37 -1.945 -10.909 -11.149 1.00 34.01 C ATOM 614 O GLU A 37 -1.930 -9.819 -11.728 1.00 33.44 O ATOM 615 CB GLU A 37 -0.608 -12.819 -12.087 1.00 53.54 C ATOM 616 CG GLU A 37 0.750 -13.492 -12.207 1.00 71.32 C ATOM 617 CD GLU A 37 1.829 -12.544 -12.687 1.00 21.13 C ATOM 618 OE1 GLU A 37 2.185 -12.601 -13.875 1.00 24.54 O ATOM 619 OE2 GLU A 37 2.316 -11.728 -11.878 1.00 33.40 O ATOM 0 H GLU A 37 -0.541 -13.355 -9.669 1.00 63.00 H new ATOM 0 HA GLU A 37 0.185 -11.067 -11.137 1.00 34.32 H new ATOM 0 HB2 GLU A 37 -1.361 -13.577 -11.870 1.00 53.54 H new ATOM 0 HB3 GLU A 37 -0.870 -12.375 -13.048 1.00 53.54 H new ATOM 0 HG2 GLU A 37 1.036 -13.901 -11.238 1.00 71.32 H new ATOM 0 HG3 GLU A 37 0.676 -14.332 -12.898 1.00 71.32 H new ATOM 626 N GLU A 38 -3.041 -11.425 -10.602 1.00 0.30 N ATOM 627 CA GLU A 38 -4.326 -10.732 -10.644 1.00 2.12 C ATOM 628 C GLU A 38 -4.277 -9.456 -9.818 1.00 33.25 C ATOM 629 O GLU A 38 -4.808 -8.418 -10.225 1.00 0.24 O ATOM 630 CB GLU A 38 -5.445 -11.643 -10.132 1.00 34.13 C ATOM 631 CG GLU A 38 -5.762 -12.809 -11.050 1.00 54.24 C ATOM 632 CD GLU A 38 -6.386 -12.365 -12.354 1.00 42.14 C ATOM 633 OE1 GLU A 38 -5.642 -11.935 -13.258 1.00 43.03 O ATOM 634 OE2 GLU A 38 -7.628 -12.448 -12.484 1.00 70.34 O ATOM 0 H GLU A 38 -3.066 -12.325 -10.122 1.00 0.30 H new ATOM 0 HA GLU A 38 -4.533 -10.468 -11.681 1.00 2.12 H new ATOM 0 HB2 GLU A 38 -5.164 -12.031 -9.153 1.00 34.13 H new ATOM 0 HB3 GLU A 38 -6.348 -11.048 -9.992 1.00 34.13 H new ATOM 0 HG2 GLU A 38 -4.846 -13.363 -11.259 1.00 54.24 H new ATOM 0 HG3 GLU A 38 -6.440 -13.494 -10.541 1.00 54.24 H new ATOM 641 N ALA A 39 -3.636 -9.538 -8.660 1.00 4.45 N ATOM 642 CA ALA A 39 -3.498 -8.392 -7.779 1.00 20.11 C ATOM 643 C ALA A 39 -2.646 -7.316 -8.434 1.00 12.31 C ATOM 644 O ALA A 39 -2.959 -6.132 -8.346 1.00 73.04 O ATOM 645 CB ALA A 39 -2.896 -8.817 -6.448 1.00 42.14 C ATOM 0 H ALA A 39 -3.202 -10.392 -8.310 1.00 4.45 H new ATOM 0 HA ALA A 39 -4.488 -7.977 -7.592 1.00 20.11 H new ATOM 0 HB1 ALA A 39 -2.799 -7.947 -5.798 1.00 42.14 H new ATOM 0 HB2 ALA A 39 -3.545 -9.553 -5.974 1.00 42.14 H new ATOM 0 HB3 ALA A 39 -1.912 -9.255 -6.617 1.00 42.14 H new ATOM 651 N LEU A 40 -1.579 -7.745 -9.106 1.00 31.41 N ATOM 652 CA LEU A 40 -0.665 -6.837 -9.798 1.00 23.32 C ATOM 653 C LEU A 40 -1.431 -5.995 -10.826 1.00 71.44 C ATOM 654 O LEU A 40 -1.190 -4.791 -10.965 1.00 51.01 O ATOM 655 CB LEU A 40 0.467 -7.653 -10.470 1.00 10.41 C ATOM 656 CG LEU A 40 1.700 -6.874 -10.983 1.00 35.33 C ATOM 657 CD1 LEU A 40 1.411 -6.164 -12.296 1.00 13.21 C ATOM 658 CD2 LEU A 40 2.185 -5.882 -9.937 1.00 33.22 C ATOM 0 H LEU A 40 -1.324 -8.729 -9.186 1.00 31.41 H new ATOM 0 HA LEU A 40 -0.216 -6.153 -9.078 1.00 23.32 H new ATOM 0 HB2 LEU A 40 0.814 -8.399 -9.755 1.00 10.41 H new ATOM 0 HB3 LEU A 40 0.037 -8.195 -11.312 1.00 10.41 H new ATOM 0 HG LEU A 40 2.491 -7.601 -11.167 1.00 35.33 H new ATOM 0 HD11 LEU A 40 2.302 -5.628 -12.624 1.00 13.21 H new ATOM 0 HD12 LEU A 40 1.130 -6.897 -13.052 1.00 13.21 H new ATOM 0 HD13 LEU A 40 0.593 -5.457 -12.155 1.00 13.21 H new ATOM 0 HD21 LEU A 40 3.053 -5.345 -10.320 1.00 33.22 H new ATOM 0 HD22 LEU A 40 1.389 -5.172 -9.712 1.00 33.22 H new ATOM 0 HD23 LEU A 40 2.461 -6.417 -9.028 1.00 33.22 H new ATOM 670 N GLU A 41 -2.364 -6.633 -11.525 1.00 41.40 N ATOM 671 CA GLU A 41 -3.193 -5.951 -12.511 1.00 43.23 C ATOM 672 C GLU A 41 -3.980 -4.821 -11.860 1.00 20.02 C ATOM 673 O GLU A 41 -4.041 -3.706 -12.384 1.00 4.32 O ATOM 674 CB GLU A 41 -4.154 -6.938 -13.165 1.00 44.23 C ATOM 675 CG GLU A 41 -3.467 -8.020 -13.970 1.00 3.22 C ATOM 676 CD GLU A 41 -2.791 -7.478 -15.206 1.00 65.11 C ATOM 677 OE1 GLU A 41 -1.647 -6.994 -15.103 1.00 74.21 O ATOM 678 OE2 GLU A 41 -3.400 -7.540 -16.291 1.00 10.21 O ATOM 0 H GLU A 41 -2.565 -7.628 -11.425 1.00 41.40 H new ATOM 0 HA GLU A 41 -2.539 -5.529 -13.274 1.00 43.23 H new ATOM 0 HB2 GLU A 41 -4.762 -7.406 -12.391 1.00 44.23 H new ATOM 0 HB3 GLU A 41 -4.834 -6.390 -13.817 1.00 44.23 H new ATOM 0 HG2 GLU A 41 -2.727 -8.520 -13.345 1.00 3.22 H new ATOM 0 HG3 GLU A 41 -4.200 -8.773 -14.261 1.00 3.22 H new ATOM 685 N LEU A 42 -4.567 -5.112 -10.705 1.00 23.53 N ATOM 686 CA LEU A 42 -5.342 -4.123 -9.971 1.00 53.24 C ATOM 687 C LEU A 42 -4.435 -3.017 -9.455 1.00 4.42 C ATOM 688 O LEU A 42 -4.795 -1.841 -9.495 1.00 30.40 O ATOM 689 CB LEU A 42 -6.090 -4.779 -8.805 1.00 60.54 C ATOM 690 CG LEU A 42 -7.108 -5.858 -9.187 1.00 64.33 C ATOM 691 CD1 LEU A 42 -7.767 -6.430 -7.944 1.00 20.25 C ATOM 692 CD2 LEU A 42 -8.160 -5.298 -10.136 1.00 40.14 C ATOM 0 H LEU A 42 -4.520 -6.027 -10.257 1.00 23.53 H new ATOM 0 HA LEU A 42 -6.074 -3.689 -10.651 1.00 53.24 H new ATOM 0 HB2 LEU A 42 -5.357 -5.221 -8.131 1.00 60.54 H new ATOM 0 HB3 LEU A 42 -6.608 -4.000 -8.246 1.00 60.54 H new ATOM 0 HG LEU A 42 -6.578 -6.660 -9.700 1.00 64.33 H new ATOM 0 HD11 LEU A 42 -8.487 -7.195 -8.233 1.00 20.25 H new ATOM 0 HD12 LEU A 42 -7.007 -6.872 -7.300 1.00 20.25 H new ATOM 0 HD13 LEU A 42 -8.280 -5.634 -7.405 1.00 20.25 H new ATOM 0 HD21 LEU A 42 -8.872 -6.082 -10.393 1.00 40.14 H new ATOM 0 HD22 LEU A 42 -8.686 -4.475 -9.652 1.00 40.14 H new ATOM 0 HD23 LEU A 42 -7.676 -4.935 -11.043 1.00 40.14 H new ATOM 704 N ILE A 43 -3.252 -3.406 -8.986 1.00 42.02 N ATOM 705 CA ILE A 43 -2.259 -2.460 -8.485 1.00 65.21 C ATOM 706 C ILE A 43 -1.944 -1.407 -9.538 1.00 43.43 C ATOM 707 O ILE A 43 -1.975 -0.211 -9.254 1.00 11.21 O ATOM 708 CB ILE A 43 -0.950 -3.186 -8.067 1.00 51.30 C ATOM 709 CG1 ILE A 43 -1.203 -4.102 -6.870 1.00 71.13 C ATOM 710 CG2 ILE A 43 0.159 -2.188 -7.753 1.00 44.51 C ATOM 711 CD1 ILE A 43 -1.636 -3.372 -5.616 1.00 61.50 C ATOM 0 H ILE A 43 -2.956 -4.381 -8.943 1.00 42.02 H new ATOM 0 HA ILE A 43 -2.683 -1.974 -7.606 1.00 65.21 H new ATOM 0 HB ILE A 43 -0.622 -3.796 -8.909 1.00 51.30 H new ATOM 0 HG12 ILE A 43 -1.970 -4.829 -7.138 1.00 71.13 H new ATOM 0 HG13 ILE A 43 -0.293 -4.662 -6.656 1.00 71.13 H new ATOM 0 HG21 ILE A 43 1.062 -2.726 -7.464 1.00 44.51 H new ATOM 0 HG22 ILE A 43 0.365 -1.583 -8.636 1.00 44.51 H new ATOM 0 HG23 ILE A 43 -0.155 -1.540 -6.934 1.00 44.51 H new ATOM 0 HD11 ILE A 43 -1.795 -4.091 -4.813 1.00 61.50 H new ATOM 0 HD12 ILE A 43 -0.861 -2.664 -5.321 1.00 61.50 H new ATOM 0 HD13 ILE A 43 -2.564 -2.834 -5.810 1.00 61.50 H new ATOM 723 N ASN A 44 -1.664 -1.860 -10.756 1.00 34.01 N ATOM 724 CA ASN A 44 -1.373 -0.951 -11.862 1.00 22.32 C ATOM 725 C ASN A 44 -2.521 0.012 -12.086 1.00 53.43 C ATOM 726 O ASN A 44 -2.311 1.212 -12.259 1.00 61.23 O ATOM 727 CB ASN A 44 -1.089 -1.722 -13.151 1.00 10.23 C ATOM 728 CG ASN A 44 0.267 -2.395 -13.153 1.00 43.31 C ATOM 729 OD1 ASN A 44 1.208 -1.932 -12.503 1.00 23.11 O ATOM 730 ND2 ASN A 44 0.383 -3.473 -13.899 1.00 53.13 N ATOM 0 H ASN A 44 -1.632 -2.849 -11.003 1.00 34.01 H new ATOM 0 HA ASN A 44 -0.482 -0.384 -11.592 1.00 22.32 H new ATOM 0 HB2 ASN A 44 -1.863 -2.476 -13.294 1.00 10.23 H new ATOM 0 HB3 ASN A 44 -1.150 -1.038 -13.998 1.00 10.23 H new ATOM 0 HD21 ASN A 44 1.277 -3.960 -13.956 1.00 53.13 H new ATOM 0 HD22 ASN A 44 -0.422 -3.821 -14.420 1.00 53.13 H new ATOM 737 N GLY A 45 -3.739 -0.520 -12.062 1.00 51.53 N ATOM 738 CA GLY A 45 -4.915 0.301 -12.261 1.00 24.01 C ATOM 739 C GLY A 45 -5.042 1.383 -11.213 1.00 55.31 C ATOM 740 O GLY A 45 -5.349 2.530 -11.531 1.00 21.31 O ATOM 0 H GLY A 45 -3.931 -1.510 -11.907 1.00 51.53 H new ATOM 0 HA2 GLY A 45 -4.873 0.759 -13.249 1.00 24.01 H new ATOM 0 HA3 GLY A 45 -5.804 -0.330 -12.239 1.00 24.01 H new ATOM 744 N TYR A 46 -4.793 1.021 -9.961 1.00 24.14 N ATOM 745 CA TYR A 46 -4.869 1.974 -8.866 1.00 32.31 C ATOM 746 C TYR A 46 -3.761 3.017 -8.993 1.00 14.13 C ATOM 747 O TYR A 46 -4.008 4.214 -8.861 1.00 54.41 O ATOM 748 CB TYR A 46 -4.773 1.262 -7.505 1.00 74.03 C ATOM 749 CG TYR A 46 -5.824 0.182 -7.278 1.00 33.32 C ATOM 750 CD1 TYR A 46 -7.098 0.280 -7.837 1.00 53.41 C ATOM 751 CD2 TYR A 46 -5.539 -0.935 -6.500 1.00 31.40 C ATOM 752 CE1 TYR A 46 -8.049 -0.702 -7.625 1.00 74.35 C ATOM 753 CE2 TYR A 46 -6.488 -1.921 -6.286 1.00 51.50 C ATOM 754 CZ TYR A 46 -7.739 -1.800 -6.849 1.00 30.05 C ATOM 755 OH TYR A 46 -8.690 -2.783 -6.633 1.00 50.15 O ATOM 0 H TYR A 46 -4.537 0.074 -9.681 1.00 24.14 H new ATOM 0 HA TYR A 46 -5.836 2.475 -8.921 1.00 32.31 H new ATOM 0 HB2 TYR A 46 -3.784 0.813 -7.414 1.00 74.03 H new ATOM 0 HB3 TYR A 46 -4.859 2.006 -6.713 1.00 74.03 H new ATOM 0 HD1 TYR A 46 -7.346 1.137 -8.446 1.00 53.41 H new ATOM 0 HD2 TYR A 46 -4.560 -1.035 -6.055 1.00 31.40 H new ATOM 0 HE1 TYR A 46 -9.031 -0.610 -8.065 1.00 74.35 H new ATOM 0 HE2 TYR A 46 -6.248 -2.782 -5.680 1.00 51.50 H new ATOM 0 HH TYR A 46 -8.310 -3.487 -6.066 1.00 50.15 H new ATOM 765 N ILE A 47 -2.545 2.547 -9.274 1.00 32.53 N ATOM 766 CA ILE A 47 -1.382 3.422 -9.429 1.00 55.53 C ATOM 767 C ILE A 47 -1.611 4.472 -10.516 1.00 34.24 C ATOM 768 O ILE A 47 -1.334 5.658 -10.314 1.00 14.33 O ATOM 769 CB ILE A 47 -0.093 2.607 -9.757 1.00 65.41 C ATOM 770 CG1 ILE A 47 0.357 1.805 -8.529 1.00 25.24 C ATOM 771 CG2 ILE A 47 1.032 3.517 -10.253 1.00 3.41 C ATOM 772 CD1 ILE A 47 1.612 0.984 -8.757 1.00 42.23 C ATOM 0 H ILE A 47 -2.339 1.556 -9.400 1.00 32.53 H new ATOM 0 HA ILE A 47 -1.244 3.929 -8.474 1.00 55.53 H new ATOM 0 HB ILE A 47 -0.330 1.910 -10.561 1.00 65.41 H new ATOM 0 HG12 ILE A 47 0.530 2.493 -7.701 1.00 25.24 H new ATOM 0 HG13 ILE A 47 -0.451 1.139 -8.226 1.00 25.24 H new ATOM 0 HG21 ILE A 47 1.915 2.917 -10.472 1.00 3.41 H new ATOM 0 HG22 ILE A 47 0.710 4.033 -11.157 1.00 3.41 H new ATOM 0 HG23 ILE A 47 1.273 4.250 -9.483 1.00 3.41 H new ATOM 0 HD11 ILE A 47 1.866 0.446 -7.844 1.00 42.23 H new ATOM 0 HD12 ILE A 47 1.438 0.270 -9.562 1.00 42.23 H new ATOM 0 HD13 ILE A 47 2.435 1.645 -9.029 1.00 42.23 H new ATOM 784 N GLN A 48 -2.129 4.037 -11.655 1.00 2.21 N ATOM 785 CA GLN A 48 -2.367 4.936 -12.776 1.00 4.24 C ATOM 786 C GLN A 48 -3.415 5.989 -12.439 1.00 53.51 C ATOM 787 O GLN A 48 -3.241 7.166 -12.755 1.00 74.10 O ATOM 788 CB GLN A 48 -2.764 4.150 -14.024 1.00 12.54 C ATOM 789 CG GLN A 48 -1.655 3.251 -14.549 1.00 51.13 C ATOM 790 CD GLN A 48 -0.386 4.021 -14.862 1.00 74.32 C ATOM 791 OE1 GLN A 48 -0.430 5.189 -15.250 1.00 1.12 O ATOM 792 NE2 GLN A 48 0.749 3.381 -14.683 1.00 21.12 N ATOM 0 H GLN A 48 -2.393 3.067 -11.828 1.00 2.21 H new ATOM 0 HA GLN A 48 -1.434 5.460 -12.983 1.00 4.24 H new ATOM 0 HB2 GLN A 48 -3.639 3.541 -13.798 1.00 12.54 H new ATOM 0 HB3 GLN A 48 -3.056 4.849 -14.807 1.00 12.54 H new ATOM 0 HG2 GLN A 48 -1.436 2.480 -13.811 1.00 51.13 H new ATOM 0 HG3 GLN A 48 -1.999 2.742 -15.449 1.00 51.13 H new ATOM 0 HE21 GLN A 48 0.743 2.413 -14.360 1.00 21.12 H new ATOM 0 HE22 GLN A 48 1.635 3.852 -14.867 1.00 21.12 H new ATOM 801 N LYS A 49 -4.486 5.570 -11.774 1.00 61.42 N ATOM 802 CA LYS A 49 -5.552 6.492 -11.370 1.00 24.45 C ATOM 803 C LYS A 49 -5.007 7.588 -10.457 1.00 60.52 C ATOM 804 O LYS A 49 -5.448 8.743 -10.515 1.00 10.25 O ATOM 805 CB LYS A 49 -6.670 5.732 -10.657 1.00 20.23 C ATOM 806 CG LYS A 49 -7.495 4.840 -11.567 1.00 51.13 C ATOM 807 CD LYS A 49 -8.457 3.979 -10.766 1.00 64.33 C ATOM 808 CE LYS A 49 -9.378 3.178 -11.670 1.00 41.35 C ATOM 809 NZ LYS A 49 -10.314 4.050 -12.422 1.00 44.34 N ATOM 0 H LYS A 49 -4.643 4.600 -11.501 1.00 61.42 H new ATOM 0 HA LYS A 49 -5.954 6.958 -12.270 1.00 24.45 H new ATOM 0 HB2 LYS A 49 -6.232 5.121 -9.867 1.00 20.23 H new ATOM 0 HB3 LYS A 49 -7.332 6.451 -10.174 1.00 20.23 H new ATOM 0 HG2 LYS A 49 -8.054 5.454 -12.273 1.00 51.13 H new ATOM 0 HG3 LYS A 49 -6.833 4.202 -12.153 1.00 51.13 H new ATOM 0 HD2 LYS A 49 -7.892 3.300 -10.127 1.00 64.33 H new ATOM 0 HD3 LYS A 49 -9.053 4.613 -10.109 1.00 64.33 H new ATOM 0 HE2 LYS A 49 -8.781 2.596 -12.372 1.00 41.35 H new ATOM 0 HE3 LYS A 49 -9.947 2.467 -11.070 1.00 41.35 H new ATOM 0 HZ1 LYS A 49 -11.061 3.468 -12.852 1.00 44.34 H new ATOM 0 HZ2 LYS A 49 -10.743 4.740 -11.773 1.00 44.34 H new ATOM 0 HZ3 LYS A 49 -9.795 4.554 -13.169 1.00 44.34 H new ATOM 823 N ILE A 50 -4.049 7.221 -9.622 1.00 20.02 N ATOM 824 CA ILE A 50 -3.430 8.156 -8.702 1.00 45.42 C ATOM 825 C ILE A 50 -2.419 9.046 -9.432 1.00 73.51 C ATOM 826 O ILE A 50 -2.477 10.270 -9.333 1.00 43.42 O ATOM 827 CB ILE A 50 -2.723 7.412 -7.542 1.00 10.31 C ATOM 828 CG1 ILE A 50 -3.731 6.543 -6.783 1.00 34.34 C ATOM 829 CG2 ILE A 50 -2.054 8.402 -6.595 1.00 43.34 C ATOM 830 CD1 ILE A 50 -3.102 5.606 -5.775 1.00 55.44 C ATOM 0 H ILE A 50 -3.681 6.271 -9.564 1.00 20.02 H new ATOM 0 HA ILE A 50 -4.221 8.780 -8.287 1.00 45.42 H new ATOM 0 HB ILE A 50 -1.950 6.769 -7.963 1.00 10.31 H new ATOM 0 HG12 ILE A 50 -4.439 7.192 -6.267 1.00 34.34 H new ATOM 0 HG13 ILE A 50 -4.302 5.956 -7.502 1.00 34.34 H new ATOM 0 HG21 ILE A 50 -1.563 7.858 -5.788 1.00 43.34 H new ATOM 0 HG22 ILE A 50 -1.313 8.985 -7.142 1.00 43.34 H new ATOM 0 HG23 ILE A 50 -2.806 9.071 -6.177 1.00 43.34 H new ATOM 0 HD11 ILE A 50 -3.882 5.027 -5.281 1.00 55.44 H new ATOM 0 HD12 ILE A 50 -2.416 4.930 -6.285 1.00 55.44 H new ATOM 0 HD13 ILE A 50 -2.554 6.186 -5.032 1.00 55.44 H new ATOM 842 N LYS A 51 -1.518 8.422 -10.187 1.00 55.25 N ATOM 843 CA LYS A 51 -0.470 9.148 -10.912 1.00 71.42 C ATOM 844 C LYS A 51 -1.037 10.131 -11.935 1.00 53.10 C ATOM 845 O LYS A 51 -0.542 11.250 -12.064 1.00 23.13 O ATOM 846 CB LYS A 51 0.496 8.172 -11.593 1.00 62.10 C ATOM 847 CG LYS A 51 1.577 7.617 -10.672 1.00 62.14 C ATOM 848 CD LYS A 51 2.528 8.717 -10.220 1.00 44.20 C ATOM 849 CE LYS A 51 3.689 8.166 -9.409 1.00 72.52 C ATOM 850 NZ LYS A 51 4.632 9.240 -9.000 1.00 45.14 N ATOM 0 H LYS A 51 -1.490 7.410 -10.315 1.00 55.25 H new ATOM 0 HA LYS A 51 0.075 9.732 -10.171 1.00 71.42 H new ATOM 0 HB2 LYS A 51 -0.076 7.341 -12.005 1.00 62.10 H new ATOM 0 HB3 LYS A 51 0.974 8.678 -12.432 1.00 62.10 H new ATOM 0 HG2 LYS A 51 1.114 7.151 -9.802 1.00 62.14 H new ATOM 0 HG3 LYS A 51 2.136 6.838 -11.190 1.00 62.14 H new ATOM 0 HD2 LYS A 51 2.913 9.245 -11.092 1.00 44.20 H new ATOM 0 HD3 LYS A 51 1.981 9.446 -9.622 1.00 44.20 H new ATOM 0 HE2 LYS A 51 3.306 7.661 -8.522 1.00 72.52 H new ATOM 0 HE3 LYS A 51 4.222 7.419 -9.997 1.00 72.52 H new ATOM 0 HZ1 LYS A 51 5.411 8.827 -8.449 1.00 45.14 H new ATOM 0 HZ2 LYS A 51 5.016 9.706 -9.847 1.00 45.14 H new ATOM 0 HZ3 LYS A 51 4.129 9.940 -8.418 1.00 45.14 H new ATOM 864 N SER A 52 -2.070 9.721 -12.650 1.00 4.03 N ATOM 865 CA SER A 52 -2.679 10.579 -13.658 1.00 74.43 C ATOM 866 C SER A 52 -3.591 11.636 -13.026 1.00 23.31 C ATOM 867 O SER A 52 -4.187 12.451 -13.730 1.00 72.32 O ATOM 868 CB SER A 52 -3.458 9.741 -14.671 1.00 43.24 C ATOM 869 OG SER A 52 -2.605 8.817 -15.332 1.00 32.22 O ATOM 0 H SER A 52 -2.505 8.803 -12.554 1.00 4.03 H new ATOM 0 HA SER A 52 -1.875 11.103 -14.175 1.00 74.43 H new ATOM 0 HB2 SER A 52 -4.259 9.203 -14.164 1.00 43.24 H new ATOM 0 HB3 SER A 52 -3.928 10.396 -15.405 1.00 43.24 H new ATOM 0 HG SER A 52 -2.519 8.005 -14.790 1.00 32.22 H new ATOM 875 N GLY A 53 -3.693 11.615 -11.697 1.00 72.30 N ATOM 876 CA GLY A 53 -4.518 12.580 -10.991 1.00 64.33 C ATOM 877 C GLY A 53 -5.981 12.461 -11.351 1.00 3.31 C ATOM 878 O GLY A 53 -6.689 13.462 -11.446 1.00 34.54 O ATOM 0 H GLY A 53 -3.216 10.943 -11.096 1.00 72.30 H new ATOM 0 HA2 GLY A 53 -4.398 12.439 -9.917 1.00 64.33 H new ATOM 0 HA3 GLY A 53 -4.171 13.587 -11.221 1.00 64.33 H new ATOM 882 N GLU A 54 -6.436 11.240 -11.546 1.00 62.35 N ATOM 883 CA GLU A 54 -7.816 11.000 -11.914 1.00 4.33 C ATOM 884 C GLU A 54 -8.654 10.758 -10.677 1.00 53.14 C ATOM 885 O GLU A 54 -9.733 11.326 -10.524 1.00 65.34 O ATOM 886 CB GLU A 54 -7.916 9.809 -12.861 1.00 34.53 C ATOM 887 CG GLU A 54 -7.066 9.960 -14.106 1.00 23.14 C ATOM 888 CD GLU A 54 -7.218 8.803 -15.061 1.00 13.34 C ATOM 889 OE1 GLU A 54 -8.017 8.916 -16.013 1.00 43.35 O ATOM 890 OE2 GLU A 54 -6.538 7.782 -14.876 1.00 55.10 O ATOM 0 H GLU A 54 -5.869 10.397 -11.455 1.00 62.35 H new ATOM 0 HA GLU A 54 -8.196 11.883 -12.427 1.00 4.33 H new ATOM 0 HB2 GLU A 54 -7.614 8.906 -12.331 1.00 34.53 H new ATOM 0 HB3 GLU A 54 -8.957 9.673 -13.154 1.00 34.53 H new ATOM 0 HG2 GLU A 54 -7.338 10.884 -14.616 1.00 23.14 H new ATOM 0 HG3 GLU A 54 -6.019 10.051 -13.817 1.00 23.14 H new ATOM 897 N GLU A 55 -8.138 9.941 -9.787 1.00 62.23 N ATOM 898 CA GLU A 55 -8.836 9.614 -8.564 1.00 21.32 C ATOM 899 C GLU A 55 -8.129 10.214 -7.364 1.00 11.15 C ATOM 900 O GLU A 55 -6.960 10.608 -7.445 1.00 4.44 O ATOM 901 CB GLU A 55 -8.925 8.102 -8.391 1.00 52.42 C ATOM 902 CG GLU A 55 -9.707 7.387 -9.475 1.00 42.12 C ATOM 903 CD GLU A 55 -11.150 7.824 -9.539 1.00 12.13 C ATOM 904 OE1 GLU A 55 -11.861 7.703 -8.516 1.00 41.01 O ATOM 905 OE2 GLU A 55 -11.587 8.269 -10.612 1.00 32.33 O ATOM 0 H GLU A 55 -7.230 9.487 -9.889 1.00 62.23 H new ATOM 0 HA GLU A 55 -9.841 10.031 -8.630 1.00 21.32 H new ATOM 0 HB2 GLU A 55 -7.915 7.693 -8.360 1.00 52.42 H new ATOM 0 HB3 GLU A 55 -9.386 7.886 -7.427 1.00 52.42 H new ATOM 0 HG2 GLU A 55 -9.233 7.570 -10.439 1.00 42.12 H new ATOM 0 HG3 GLU A 55 -9.665 6.312 -9.298 1.00 42.12 H new ATOM 912 N ASP A 56 -8.840 10.287 -6.262 1.00 74.31 N ATOM 913 CA ASP A 56 -8.282 10.774 -5.015 1.00 23.31 C ATOM 914 C ASP A 56 -7.701 9.605 -4.232 1.00 0.34 C ATOM 915 O ASP A 56 -8.348 8.560 -4.095 1.00 53.44 O ATOM 916 CB ASP A 56 -9.356 11.492 -4.197 1.00 40.32 C ATOM 917 CG ASP A 56 -8.900 11.826 -2.795 1.00 60.41 C ATOM 918 OD1 ASP A 56 -9.278 11.095 -1.857 1.00 4.14 O ATOM 919 OD2 ASP A 56 -8.169 12.820 -2.622 1.00 54.41 O ATOM 0 H ASP A 56 -9.820 10.012 -6.202 1.00 74.31 H new ATOM 0 HA ASP A 56 -7.487 11.489 -5.229 1.00 23.31 H new ATOM 0 HB2 ASP A 56 -9.643 12.410 -4.709 1.00 40.32 H new ATOM 0 HB3 ASP A 56 -10.246 10.865 -4.145 1.00 40.32 H new ATOM 924 N PHE A 57 -6.484 9.779 -3.726 1.00 24.35 N ATOM 925 CA PHE A 57 -5.779 8.714 -3.015 1.00 13.04 C ATOM 926 C PHE A 57 -6.595 8.175 -1.842 1.00 32.42 C ATOM 927 O PHE A 57 -6.860 6.975 -1.765 1.00 4.24 O ATOM 928 CB PHE A 57 -4.413 9.201 -2.519 1.00 74.52 C ATOM 929 CG PHE A 57 -3.565 8.105 -1.936 1.00 2.52 C ATOM 930 CD1 PHE A 57 -3.715 7.715 -0.614 1.00 74.51 C ATOM 931 CD2 PHE A 57 -2.626 7.459 -2.716 1.00 60.13 C ATOM 932 CE1 PHE A 57 -2.947 6.702 -0.087 1.00 72.12 C ATOM 933 CE2 PHE A 57 -1.853 6.445 -2.193 1.00 12.24 C ATOM 934 CZ PHE A 57 -2.013 6.065 -0.875 1.00 14.44 C ATOM 0 H PHE A 57 -5.962 10.652 -3.795 1.00 24.35 H new ATOM 0 HA PHE A 57 -5.632 7.900 -3.725 1.00 13.04 H new ATOM 0 HB2 PHE A 57 -3.877 9.663 -3.348 1.00 74.52 H new ATOM 0 HB3 PHE A 57 -4.563 9.974 -1.766 1.00 74.52 H new ATOM 0 HD1 PHE A 57 -4.443 8.212 0.010 1.00 74.51 H new ATOM 0 HD2 PHE A 57 -2.496 7.752 -3.747 1.00 60.13 H new ATOM 0 HE1 PHE A 57 -3.076 6.406 0.944 1.00 72.12 H new ATOM 0 HE2 PHE A 57 -1.122 5.948 -2.814 1.00 12.24 H new ATOM 0 HZ PHE A 57 -1.408 5.271 -0.463 1.00 14.44 H new ATOM 944 N GLU A 58 -6.992 9.063 -0.939 1.00 11.11 N ATOM 945 CA GLU A 58 -7.739 8.666 0.251 1.00 4.13 C ATOM 946 C GLU A 58 -9.047 7.976 -0.111 1.00 53.53 C ATOM 947 O GLU A 58 -9.480 7.050 0.578 1.00 52.44 O ATOM 948 CB GLU A 58 -7.993 9.869 1.150 1.00 13.23 C ATOM 949 CG GLU A 58 -6.728 10.422 1.784 1.00 32.23 C ATOM 950 CD GLU A 58 -6.995 11.622 2.654 1.00 20.03 C ATOM 951 OE1 GLU A 58 -6.960 11.481 3.898 1.00 73.31 O ATOM 952 OE2 GLU A 58 -7.245 12.717 2.103 1.00 12.32 O ATOM 0 H GLU A 58 -6.810 10.064 -1.007 1.00 11.11 H new ATOM 0 HA GLU A 58 -7.131 7.946 0.798 1.00 4.13 H new ATOM 0 HB2 GLU A 58 -8.473 10.655 0.567 1.00 13.23 H new ATOM 0 HB3 GLU A 58 -8.692 9.585 1.937 1.00 13.23 H new ATOM 0 HG2 GLU A 58 -6.254 9.643 2.381 1.00 32.23 H new ATOM 0 HG3 GLU A 58 -6.022 10.696 1.000 1.00 32.23 H new ATOM 959 N SER A 59 -9.666 8.420 -1.190 1.00 0.44 N ATOM 960 CA SER A 59 -10.892 7.809 -1.664 1.00 71.21 C ATOM 961 C SER A 59 -10.633 6.361 -2.082 1.00 15.12 C ATOM 962 O SER A 59 -11.356 5.448 -1.682 1.00 2.12 O ATOM 963 CB SER A 59 -11.463 8.610 -2.831 1.00 21.44 C ATOM 964 OG SER A 59 -11.649 9.970 -2.464 1.00 72.45 O ATOM 0 H SER A 59 -9.338 9.203 -1.755 1.00 0.44 H new ATOM 0 HA SER A 59 -11.622 7.810 -0.854 1.00 71.21 H new ATOM 0 HB2 SER A 59 -10.789 8.548 -3.685 1.00 21.44 H new ATOM 0 HB3 SER A 59 -12.414 8.179 -3.143 1.00 21.44 H new ATOM 0 HG SER A 59 -10.784 10.366 -2.228 1.00 72.45 H new ATOM 970 N LEU A 60 -9.579 6.152 -2.865 1.00 3.11 N ATOM 971 CA LEU A 60 -9.217 4.812 -3.312 1.00 62.33 C ATOM 972 C LEU A 60 -8.803 3.947 -2.134 1.00 73.52 C ATOM 973 O LEU A 60 -9.138 2.769 -2.069 1.00 4.31 O ATOM 974 CB LEU A 60 -8.079 4.860 -4.334 1.00 55.53 C ATOM 975 CG LEU A 60 -8.376 5.586 -5.646 1.00 5.13 C ATOM 976 CD1 LEU A 60 -7.175 5.505 -6.572 1.00 22.23 C ATOM 977 CD2 LEU A 60 -9.609 5.002 -6.321 1.00 33.43 C ATOM 0 H LEU A 60 -8.962 6.891 -3.202 1.00 3.11 H new ATOM 0 HA LEU A 60 -10.096 4.376 -3.786 1.00 62.33 H new ATOM 0 HB2 LEU A 60 -7.219 5.338 -3.866 1.00 55.53 H new ATOM 0 HB3 LEU A 60 -7.786 3.836 -4.568 1.00 55.53 H new ATOM 0 HG LEU A 60 -8.577 6.634 -5.422 1.00 5.13 H new ATOM 0 HD11 LEU A 60 -7.398 6.025 -7.503 1.00 22.23 H new ATOM 0 HD12 LEU A 60 -6.314 5.971 -6.093 1.00 22.23 H new ATOM 0 HD13 LEU A 60 -6.950 4.460 -6.785 1.00 22.23 H new ATOM 0 HD21 LEU A 60 -9.801 5.535 -7.253 1.00 33.43 H new ATOM 0 HD22 LEU A 60 -9.441 3.946 -6.534 1.00 33.43 H new ATOM 0 HD23 LEU A 60 -10.469 5.106 -5.660 1.00 33.43 H new ATOM 989 N ALA A 61 -8.096 4.547 -1.193 1.00 43.04 N ATOM 990 CA ALA A 61 -7.608 3.837 -0.019 1.00 2.14 C ATOM 991 C ALA A 61 -8.745 3.401 0.899 1.00 1.23 C ATOM 992 O ALA A 61 -8.569 2.533 1.750 1.00 40.45 O ATOM 993 CB ALA A 61 -6.615 4.696 0.737 1.00 35.43 C ATOM 0 H ALA A 61 -7.844 5.535 -1.218 1.00 43.04 H new ATOM 0 HA ALA A 61 -7.108 2.933 -0.366 1.00 2.14 H new ATOM 0 HB1 ALA A 61 -6.258 4.154 1.613 1.00 35.43 H new ATOM 0 HB2 ALA A 61 -5.772 4.934 0.088 1.00 35.43 H new ATOM 0 HB3 ALA A 61 -7.100 5.619 1.055 1.00 35.43 H new ATOM 999 N SER A 62 -9.904 3.996 0.719 1.00 61.42 N ATOM 1000 CA SER A 62 -11.054 3.665 1.534 1.00 73.22 C ATOM 1001 C SER A 62 -12.050 2.804 0.756 1.00 20.43 C ATOM 1002 O SER A 62 -13.098 2.428 1.278 1.00 31.21 O ATOM 1003 CB SER A 62 -11.731 4.948 2.012 1.00 14.14 C ATOM 1004 OG SER A 62 -10.785 5.826 2.607 1.00 45.34 O ATOM 0 H SER A 62 -10.076 4.713 0.014 1.00 61.42 H new ATOM 0 HA SER A 62 -10.713 3.091 2.396 1.00 73.22 H new ATOM 0 HB2 SER A 62 -12.216 5.444 1.171 1.00 14.14 H new ATOM 0 HB3 SER A 62 -12.512 4.706 2.732 1.00 14.14 H new ATOM 0 HG SER A 62 -10.285 6.292 1.905 1.00 45.34 H new ATOM 1010 N GLN A 63 -11.714 2.478 -0.488 1.00 4.13 N ATOM 1011 CA GLN A 63 -12.624 1.714 -1.338 1.00 30.11 C ATOM 1012 C GLN A 63 -11.952 0.501 -1.980 1.00 64.14 C ATOM 1013 O GLN A 63 -12.543 -0.572 -2.060 1.00 44.44 O ATOM 1014 CB GLN A 63 -13.207 2.614 -2.429 1.00 1.23 C ATOM 1015 CG GLN A 63 -14.108 3.724 -1.905 1.00 1.14 C ATOM 1016 CD GLN A 63 -14.515 4.709 -2.986 1.00 3.24 C ATOM 1017 OE1 GLN A 63 -13.639 4.930 -3.948 1.00 70.11 O flip ATOM 1018 NE2 GLN A 63 -15.603 5.278 -2.946 1.00 64.21 N flip ATOM 0 H GLN A 63 -10.828 2.727 -0.928 1.00 4.13 H new ATOM 0 HA GLN A 63 -13.421 1.343 -0.693 1.00 30.11 H new ATOM 0 HB2 GLN A 63 -12.388 3.061 -2.992 1.00 1.23 H new ATOM 0 HB3 GLN A 63 -13.775 1.999 -3.127 1.00 1.23 H new ATOM 0 HG2 GLN A 63 -15.003 3.283 -1.466 1.00 1.14 H new ATOM 0 HG3 GLN A 63 -13.592 4.259 -1.108 1.00 1.14 H new ATOM 0 HE21 GLN A 63 -16.254 5.081 -2.186 1.00 64.21 H new ATOM 0 HE22 GLN A 63 -15.855 5.948 -3.673 1.00 64.21 H new ATOM 1027 N PHE A 64 -10.724 0.668 -2.431 1.00 1.30 N ATOM 1028 CA PHE A 64 -10.029 -0.394 -3.147 1.00 31.24 C ATOM 1029 C PHE A 64 -8.862 -0.960 -2.344 1.00 63.23 C ATOM 1030 O PHE A 64 -8.025 -1.685 -2.877 1.00 2.05 O ATOM 1031 CB PHE A 64 -9.544 0.121 -4.503 1.00 20.43 C ATOM 1032 CG PHE A 64 -10.658 0.548 -5.423 1.00 73.22 C ATOM 1033 CD1 PHE A 64 -11.073 1.869 -5.464 1.00 74.35 C ATOM 1034 CD2 PHE A 64 -11.291 -0.373 -6.241 1.00 23.10 C ATOM 1035 CE1 PHE A 64 -12.097 2.263 -6.305 1.00 41.34 C ATOM 1036 CE2 PHE A 64 -12.315 0.016 -7.084 1.00 41.45 C ATOM 1037 CZ PHE A 64 -12.718 1.335 -7.116 1.00 4.03 C ATOM 0 H PHE A 64 -10.184 1.526 -2.317 1.00 1.30 H new ATOM 0 HA PHE A 64 -10.738 -1.208 -3.301 1.00 31.24 H new ATOM 0 HB2 PHE A 64 -8.874 0.965 -4.342 1.00 20.43 H new ATOM 0 HB3 PHE A 64 -8.961 -0.660 -4.991 1.00 20.43 H new ATOM 0 HD1 PHE A 64 -10.591 2.600 -4.832 1.00 74.35 H new ATOM 0 HD2 PHE A 64 -10.981 -1.407 -6.220 1.00 23.10 H new ATOM 0 HE1 PHE A 64 -12.411 3.296 -6.327 1.00 41.34 H new ATOM 0 HE2 PHE A 64 -12.799 -0.712 -7.717 1.00 41.45 H new ATOM 0 HZ PHE A 64 -13.518 1.641 -7.774 1.00 4.03 H new ATOM 1047 N SER A 65 -8.810 -0.631 -1.073 1.00 64.42 N ATOM 1048 CA SER A 65 -7.766 -1.138 -0.209 1.00 14.05 C ATOM 1049 C SER A 65 -8.342 -2.196 0.736 1.00 54.23 C ATOM 1050 O SER A 65 -9.239 -1.909 1.533 1.00 73.43 O ATOM 1051 CB SER A 65 -7.136 0.011 0.584 1.00 44.11 C ATOM 1052 OG SER A 65 -5.940 -0.393 1.237 1.00 20.02 O ATOM 0 H SER A 65 -9.479 -0.014 -0.613 1.00 64.42 H new ATOM 0 HA SER A 65 -6.989 -1.601 -0.817 1.00 14.05 H new ATOM 0 HB2 SER A 65 -6.921 0.842 -0.088 1.00 44.11 H new ATOM 0 HB3 SER A 65 -7.849 0.376 1.324 1.00 44.11 H new ATOM 0 HG SER A 65 -6.101 -0.461 2.201 1.00 20.02 H new ATOM 1058 N ASP A 66 -7.832 -3.411 0.637 1.00 2.12 N ATOM 1059 CA ASP A 66 -8.303 -4.520 1.458 1.00 63.14 C ATOM 1060 C ASP A 66 -7.601 -4.535 2.804 1.00 31.14 C ATOM 1061 O ASP A 66 -6.712 -5.358 3.038 1.00 52.44 O ATOM 1062 CB ASP A 66 -8.068 -5.868 0.759 1.00 45.50 C ATOM 1063 CG ASP A 66 -8.853 -6.033 -0.518 1.00 14.23 C ATOM 1064 OD1 ASP A 66 -10.096 -5.975 -0.470 1.00 41.20 O ATOM 1065 OD2 ASP A 66 -8.225 -6.244 -1.582 1.00 51.23 O ATOM 0 H ASP A 66 -7.084 -3.659 -0.010 1.00 2.12 H new ATOM 0 HA ASP A 66 -9.373 -4.376 1.608 1.00 63.14 H new ATOM 0 HB2 ASP A 66 -7.006 -5.973 0.538 1.00 45.50 H new ATOM 0 HB3 ASP A 66 -8.332 -6.674 1.444 1.00 45.50 H new ATOM 1070 N CYS A 67 -7.981 -3.626 3.679 1.00 34.41 N ATOM 1071 CA CYS A 67 -7.378 -3.545 4.999 1.00 40.33 C ATOM 1072 C CYS A 67 -8.199 -2.649 5.914 1.00 51.54 C ATOM 1073 O CYS A 67 -9.165 -2.015 5.476 1.00 3.30 O ATOM 1074 CB CYS A 67 -5.945 -3.014 4.896 1.00 63.00 C ATOM 1075 SG CYS A 67 -5.807 -1.424 4.044 1.00 32.33 S ATOM 0 H CYS A 67 -8.706 -2.931 3.502 1.00 34.41 H new ATOM 0 HA CYS A 67 -7.356 -4.548 5.425 1.00 40.33 H new ATOM 0 HB2 CYS A 67 -5.533 -2.913 5.900 1.00 63.00 H new ATOM 0 HB3 CYS A 67 -5.333 -3.749 4.373 1.00 63.00 H new ATOM 0 HG CYS A 67 -6.806 -0.663 4.380 1.00 32.33 H new ATOM 1081 N SER A 68 -7.801 -2.588 7.177 1.00 73.11 N ATOM 1082 CA SER A 68 -8.472 -1.765 8.169 1.00 25.12 C ATOM 1083 C SER A 68 -8.131 -0.287 7.955 1.00 31.21 C ATOM 1084 O SER A 68 -8.798 0.600 8.482 1.00 32.24 O ATOM 1085 CB SER A 68 -8.057 -2.211 9.583 1.00 11.24 C ATOM 1086 OG SER A 68 -8.761 -1.494 10.591 1.00 31.31 O ATOM 0 H SER A 68 -7.003 -3.109 7.541 1.00 73.11 H new ATOM 0 HA SER A 68 -9.550 -1.888 8.061 1.00 25.12 H new ATOM 0 HB2 SER A 68 -8.245 -3.278 9.697 1.00 11.24 H new ATOM 0 HB3 SER A 68 -6.985 -2.061 9.712 1.00 11.24 H new ATOM 0 HG SER A 68 -8.473 -1.804 11.475 1.00 31.31 H new ATOM 1092 N SER A 69 -7.098 -0.040 7.159 1.00 20.41 N ATOM 1093 CA SER A 69 -6.646 1.312 6.859 1.00 12.00 C ATOM 1094 C SER A 69 -7.722 2.129 6.148 1.00 0.21 C ATOM 1095 O SER A 69 -7.660 3.350 6.139 1.00 31.31 O ATOM 1096 CB SER A 69 -5.373 1.273 6.022 1.00 62.25 C ATOM 1097 OG SER A 69 -4.375 0.490 6.658 1.00 33.42 O ATOM 0 H SER A 69 -6.551 -0.771 6.704 1.00 20.41 H new ATOM 0 HA SER A 69 -6.435 1.803 7.809 1.00 12.00 H new ATOM 0 HB2 SER A 69 -5.592 0.860 5.037 1.00 62.25 H new ATOM 0 HB3 SER A 69 -5.003 2.287 5.868 1.00 62.25 H new ATOM 0 HG SER A 69 -4.457 -0.443 6.368 1.00 33.42 H new ATOM 1103 N ALA A 70 -8.685 1.444 5.534 1.00 4.52 N ATOM 1104 CA ALA A 70 -9.775 2.102 4.816 1.00 43.14 C ATOM 1105 C ALA A 70 -10.465 3.171 5.678 1.00 45.41 C ATOM 1106 O ALA A 70 -10.779 4.257 5.196 1.00 15.23 O ATOM 1107 CB ALA A 70 -10.785 1.072 4.333 1.00 50.23 C ATOM 0 H ALA A 70 -8.732 0.425 5.520 1.00 4.52 H new ATOM 0 HA ALA A 70 -9.344 2.609 3.953 1.00 43.14 H new ATOM 0 HB1 ALA A 70 -11.592 1.575 3.800 1.00 50.23 H new ATOM 0 HB2 ALA A 70 -10.293 0.366 3.664 1.00 50.23 H new ATOM 0 HB3 ALA A 70 -11.195 0.536 5.189 1.00 50.23 H new ATOM 1113 N LYS A 71 -10.672 2.873 6.959 1.00 43.13 N ATOM 1114 CA LYS A 71 -11.325 3.827 7.863 1.00 21.12 C ATOM 1115 C LYS A 71 -10.433 5.045 8.119 1.00 63.12 C ATOM 1116 O LYS A 71 -10.919 6.128 8.441 1.00 53.52 O ATOM 1117 CB LYS A 71 -11.698 3.165 9.191 1.00 30.43 C ATOM 1118 CG LYS A 71 -10.506 2.663 9.981 1.00 41.24 C ATOM 1119 CD LYS A 71 -10.921 2.130 11.333 1.00 31.04 C ATOM 1120 CE LYS A 71 -9.719 1.648 12.119 1.00 73.20 C ATOM 1121 NZ LYS A 71 -10.089 1.206 13.481 1.00 0.23 N ATOM 0 H LYS A 71 -10.402 1.991 7.394 1.00 43.13 H new ATOM 0 HA LYS A 71 -12.240 4.162 7.374 1.00 21.12 H new ATOM 0 HB2 LYS A 71 -12.250 3.880 9.800 1.00 30.43 H new ATOM 0 HB3 LYS A 71 -12.369 2.329 8.994 1.00 30.43 H new ATOM 0 HG2 LYS A 71 -10.001 1.878 9.419 1.00 41.24 H new ATOM 0 HG3 LYS A 71 -9.789 3.473 10.113 1.00 41.24 H new ATOM 0 HD2 LYS A 71 -11.437 2.910 11.893 1.00 31.04 H new ATOM 0 HD3 LYS A 71 -11.628 1.310 11.203 1.00 31.04 H new ATOM 0 HE2 LYS A 71 -9.244 0.824 11.587 1.00 73.20 H new ATOM 0 HE3 LYS A 71 -8.984 2.450 12.185 1.00 73.20 H new ATOM 0 HZ1 LYS A 71 -9.238 0.884 13.985 1.00 0.23 H new ATOM 0 HZ2 LYS A 71 -10.519 1.999 13.999 1.00 0.23 H new ATOM 0 HZ3 LYS A 71 -10.771 0.423 13.419 1.00 0.23 H new ATOM 1135 N ALA A 72 -9.133 4.856 7.963 1.00 25.44 N ATOM 1136 CA ALA A 72 -8.164 5.922 8.164 1.00 34.11 C ATOM 1137 C ALA A 72 -7.758 6.525 6.825 1.00 63.15 C ATOM 1138 O ALA A 72 -6.853 7.359 6.752 1.00 10.13 O ATOM 1139 CB ALA A 72 -6.943 5.391 8.901 1.00 4.21 C ATOM 0 H ALA A 72 -8.720 3.963 7.694 1.00 25.44 H new ATOM 0 HA ALA A 72 -8.622 6.703 8.771 1.00 34.11 H new ATOM 0 HB1 ALA A 72 -6.225 6.199 9.045 1.00 4.21 H new ATOM 0 HB2 ALA A 72 -7.246 4.998 9.871 1.00 4.21 H new ATOM 0 HB3 ALA A 72 -6.482 4.596 8.315 1.00 4.21 H new ATOM 1145 N ARG A 73 -8.432 6.075 5.761 1.00 43.43 N ATOM 1146 CA ARG A 73 -8.194 6.568 4.401 1.00 71.21 C ATOM 1147 C ARG A 73 -6.800 6.189 3.907 1.00 23.12 C ATOM 1148 O ARG A 73 -6.203 6.893 3.098 1.00 65.25 O ATOM 1149 CB ARG A 73 -8.421 8.092 4.315 1.00 72.04 C ATOM 1150 CG ARG A 73 -9.896 8.512 4.249 1.00 64.34 C ATOM 1151 CD ARG A 73 -10.690 7.968 5.426 1.00 62.04 C ATOM 1152 NE ARG A 73 -12.101 8.340 5.376 1.00 73.22 N ATOM 1153 CZ ARG A 73 -13.113 7.465 5.353 1.00 5.11 C ATOM 1154 NH1 ARG A 73 -12.876 6.159 5.236 1.00 72.22 N ATOM 1155 NH2 ARG A 73 -14.364 7.901 5.415 1.00 61.14 N ATOM 0 H ARG A 73 -9.157 5.360 5.819 1.00 43.43 H new ATOM 0 HA ARG A 73 -8.917 6.085 3.744 1.00 71.21 H new ATOM 0 HB2 ARG A 73 -7.960 8.565 5.182 1.00 72.04 H new ATOM 0 HB3 ARG A 73 -7.907 8.474 3.433 1.00 72.04 H new ATOM 0 HG2 ARG A 73 -9.964 9.600 4.236 1.00 64.34 H new ATOM 0 HG3 ARG A 73 -10.335 8.154 3.318 1.00 64.34 H new ATOM 0 HD2 ARG A 73 -10.606 6.881 5.444 1.00 62.04 H new ATOM 0 HD3 ARG A 73 -10.254 8.337 6.354 1.00 62.04 H new ATOM 0 HE ARG A 73 -12.331 9.334 5.357 1.00 73.22 H new ATOM 0 HH11 ARG A 73 -11.917 5.819 5.163 1.00 72.22 H new ATOM 0 HH12 ARG A 73 -13.654 5.499 5.219 1.00 72.22 H new ATOM 0 HH21 ARG A 73 -14.553 8.901 5.480 1.00 61.14 H new ATOM 0 HH22 ARG A 73 -15.137 7.236 5.398 1.00 61.14 H new ATOM 1169 N GLY A 74 -6.297 5.062 4.400 1.00 12.22 N ATOM 1170 CA GLY A 74 -5.002 4.565 3.966 1.00 50.34 C ATOM 1171 C GLY A 74 -3.845 5.142 4.751 1.00 33.01 C ATOM 1172 O GLY A 74 -2.694 4.745 4.553 1.00 22.03 O ATOM 0 H GLY A 74 -6.765 4.481 5.096 1.00 12.22 H new ATOM 0 HA2 GLY A 74 -4.988 3.479 4.058 1.00 50.34 H new ATOM 0 HA3 GLY A 74 -4.867 4.797 2.910 1.00 50.34 H new ATOM 1176 N ASP A 75 -4.142 6.065 5.645 1.00 74.13 N ATOM 1177 CA ASP A 75 -3.110 6.719 6.438 1.00 13.55 C ATOM 1178 C ASP A 75 -2.632 5.839 7.581 1.00 23.44 C ATOM 1179 O ASP A 75 -3.430 5.345 8.381 1.00 5.02 O ATOM 1180 CB ASP A 75 -3.614 8.052 6.983 1.00 61.01 C ATOM 1181 CG ASP A 75 -2.636 8.691 7.947 1.00 65.32 C ATOM 1182 OD1 ASP A 75 -1.465 8.872 7.573 1.00 24.44 O ATOM 1183 OD2 ASP A 75 -3.042 9.033 9.076 1.00 75.01 O ATOM 0 H ASP A 75 -5.091 6.382 5.843 1.00 74.13 H new ATOM 0 HA ASP A 75 -2.262 6.900 5.777 1.00 13.55 H new ATOM 0 HB2 ASP A 75 -3.799 8.734 6.153 1.00 61.01 H new ATOM 0 HB3 ASP A 75 -4.568 7.897 7.487 1.00 61.01 H new ATOM 1188 N LEU A 76 -1.325 5.641 7.646 1.00 21.02 N ATOM 1189 CA LEU A 76 -0.716 4.871 8.717 1.00 11.11 C ATOM 1190 C LEU A 76 -0.178 5.801 9.785 1.00 73.20 C ATOM 1191 O LEU A 76 0.136 5.375 10.899 1.00 13.43 O ATOM 1192 CB LEU A 76 0.418 3.997 8.177 1.00 74.14 C ATOM 1193 CG LEU A 76 -0.004 2.848 7.267 1.00 43.44 C ATOM 1194 CD1 LEU A 76 1.218 2.158 6.682 1.00 60.00 C ATOM 1195 CD2 LEU A 76 -0.859 1.850 8.037 1.00 64.25 C ATOM 0 H LEU A 76 -0.661 6.007 6.963 1.00 21.02 H new ATOM 0 HA LEU A 76 -1.479 4.225 9.151 1.00 11.11 H new ATOM 0 HB2 LEU A 76 1.112 4.634 7.628 1.00 74.14 H new ATOM 0 HB3 LEU A 76 0.966 3.583 9.023 1.00 74.14 H new ATOM 0 HG LEU A 76 -0.597 3.254 6.448 1.00 43.44 H new ATOM 0 HD11 LEU A 76 0.899 1.341 6.035 1.00 60.00 H new ATOM 0 HD12 LEU A 76 1.798 2.875 6.101 1.00 60.00 H new ATOM 0 HD13 LEU A 76 1.834 1.763 7.490 1.00 60.00 H new ATOM 0 HD21 LEU A 76 -1.153 1.036 7.375 1.00 64.25 H new ATOM 0 HD22 LEU A 76 -0.286 1.449 8.873 1.00 64.25 H new ATOM 0 HD23 LEU A 76 -1.751 2.350 8.415 1.00 64.25 H new ATOM 1207 N GLY A 77 -0.090 7.074 9.445 1.00 30.03 N ATOM 1208 CA GLY A 77 0.440 8.046 10.361 1.00 0.53 C ATOM 1209 C GLY A 77 1.936 8.167 10.242 1.00 54.21 C ATOM 1210 O GLY A 77 2.539 7.620 9.311 1.00 61.40 O ATOM 0 H GLY A 77 -0.380 7.450 8.542 1.00 30.03 H new ATOM 0 HA2 GLY A 77 -0.020 9.015 10.169 1.00 0.53 H new ATOM 0 HA3 GLY A 77 0.178 7.765 11.381 1.00 0.53 H new ATOM 1214 N ALA A 78 2.540 8.885 11.163 1.00 54.21 N ATOM 1215 CA ALA A 78 3.975 9.050 11.165 1.00 14.11 C ATOM 1216 C ALA A 78 4.625 7.931 11.952 1.00 54.43 C ATOM 1217 O ALA A 78 4.342 7.749 13.137 1.00 60.51 O ATOM 1218 CB ALA A 78 4.352 10.400 11.749 1.00 55.24 C ATOM 0 H ALA A 78 2.057 9.365 11.922 1.00 54.21 H new ATOM 0 HA ALA A 78 4.335 9.009 10.137 1.00 14.11 H new ATOM 0 HB1 ALA A 78 5.437 10.509 11.743 1.00 55.24 H new ATOM 0 HB2 ALA A 78 3.905 11.193 11.150 1.00 55.24 H new ATOM 0 HB3 ALA A 78 3.986 10.468 12.773 1.00 55.24 H new ATOM 1224 N PHE A 79 5.485 7.186 11.302 1.00 34.20 N ATOM 1225 CA PHE A 79 6.165 6.083 11.945 1.00 21.52 C ATOM 1226 C PHE A 79 7.667 6.236 11.829 1.00 42.24 C ATOM 1227 O PHE A 79 8.170 6.866 10.892 1.00 10.12 O ATOM 1228 CB PHE A 79 5.699 4.730 11.375 1.00 30.51 C ATOM 1229 CG PHE A 79 5.792 4.614 9.876 1.00 54.21 C ATOM 1230 CD1 PHE A 79 4.731 5.001 9.072 1.00 30.33 C ATOM 1231 CD2 PHE A 79 6.936 4.110 9.273 1.00 24.21 C ATOM 1232 CE1 PHE A 79 4.809 4.891 7.699 1.00 72.32 C ATOM 1233 CE2 PHE A 79 7.018 3.998 7.899 1.00 65.40 C ATOM 1234 CZ PHE A 79 5.953 4.390 7.112 1.00 72.34 C ATOM 0 H PHE A 79 5.733 7.323 10.322 1.00 34.20 H new ATOM 0 HA PHE A 79 5.905 6.101 13.003 1.00 21.52 H new ATOM 0 HB2 PHE A 79 6.296 3.936 11.825 1.00 30.51 H new ATOM 0 HB3 PHE A 79 4.665 4.561 11.676 1.00 30.51 H new ATOM 0 HD1 PHE A 79 3.833 5.393 9.526 1.00 30.33 H new ATOM 0 HD2 PHE A 79 7.771 3.802 9.885 1.00 24.21 H new ATOM 0 HE1 PHE A 79 3.975 5.197 7.084 1.00 72.32 H new ATOM 0 HE2 PHE A 79 7.913 3.605 7.441 1.00 65.40 H new ATOM 0 HZ PHE A 79 6.015 4.304 6.037 1.00 72.34 H new ATOM 1244 N SER A 80 8.373 5.684 12.787 1.00 40.31 N ATOM 1245 CA SER A 80 9.814 5.763 12.819 1.00 55.32 C ATOM 1246 C SER A 80 10.427 4.563 12.113 1.00 55.15 C ATOM 1247 O SER A 80 9.736 3.582 11.831 1.00 11.30 O ATOM 1248 CB SER A 80 10.292 5.818 14.267 1.00 1.01 C ATOM 1249 OG SER A 80 9.552 6.778 15.009 1.00 31.43 O ATOM 0 H SER A 80 7.965 5.168 13.566 1.00 40.31 H new ATOM 0 HA SER A 80 10.130 6.668 12.300 1.00 55.32 H new ATOM 0 HB2 SER A 80 10.185 4.836 14.727 1.00 1.01 H new ATOM 0 HB3 SER A 80 11.352 6.069 14.295 1.00 1.01 H new ATOM 0 HG SER A 80 9.363 6.425 15.903 1.00 31.43 H new ATOM 1255 N ARG A 81 11.716 4.651 11.826 1.00 52.45 N ATOM 1256 CA ARG A 81 12.433 3.568 11.175 1.00 11.44 C ATOM 1257 C ARG A 81 12.406 2.312 12.037 1.00 50.11 C ATOM 1258 O ARG A 81 12.881 2.319 13.179 1.00 44.32 O ATOM 1259 CB ARG A 81 13.879 3.964 10.904 1.00 52.12 C ATOM 1260 CG ARG A 81 14.045 5.168 10.000 1.00 75.12 C ATOM 1261 CD ARG A 81 15.510 5.443 9.751 1.00 61.14 C ATOM 1262 NE ARG A 81 15.729 6.608 8.896 1.00 24.12 N ATOM 1263 CZ ARG A 81 16.854 6.821 8.211 1.00 64.33 C ATOM 1264 NH1 ARG A 81 17.847 5.931 8.259 1.00 2.22 N ATOM 1265 NH2 ARG A 81 16.987 7.918 7.481 1.00 10.04 N ATOM 0 H ARG A 81 12.290 5.468 12.036 1.00 52.45 H new ATOM 0 HA ARG A 81 11.936 3.363 10.227 1.00 11.44 H new ATOM 0 HB2 ARG A 81 14.370 4.170 11.855 1.00 52.12 H new ATOM 0 HB3 ARG A 81 14.396 3.116 10.456 1.00 52.12 H new ATOM 0 HG2 ARG A 81 13.535 4.992 9.053 1.00 75.12 H new ATOM 0 HG3 ARG A 81 13.577 6.040 10.456 1.00 75.12 H new ATOM 0 HD2 ARG A 81 16.013 5.598 10.705 1.00 61.14 H new ATOM 0 HD3 ARG A 81 15.966 4.568 9.289 1.00 61.14 H new ATOM 0 HE ARG A 81 14.980 7.296 8.819 1.00 24.12 H new ATOM 0 HH11 ARG A 81 17.747 5.085 8.820 1.00 2.22 H new ATOM 0 HH12 ARG A 81 18.706 6.096 7.734 1.00 2.22 H new ATOM 0 HH21 ARG A 81 16.229 8.600 7.443 1.00 10.04 H new ATOM 0 HH22 ARG A 81 17.847 8.081 6.957 1.00 10.04 H new ATOM 1279 N GLY A 82 11.860 1.252 11.494 1.00 4.35 N ATOM 1280 CA GLY A 82 11.776 0.006 12.218 1.00 21.24 C ATOM 1281 C GLY A 82 10.370 -0.273 12.682 1.00 24.53 C ATOM 1282 O GLY A 82 10.143 -0.587 13.853 1.00 52.43 O ATOM 0 H GLY A 82 11.467 1.226 10.553 1.00 4.35 H new ATOM 0 HA2 GLY A 82 12.118 -0.809 11.581 1.00 21.24 H new ATOM 0 HA3 GLY A 82 12.444 0.039 13.079 1.00 21.24 H new ATOM 1286 N GLN A 83 9.419 -0.153 11.772 1.00 64.02 N ATOM 1287 CA GLN A 83 8.017 -0.369 12.103 1.00 4.54 C ATOM 1288 C GLN A 83 7.310 -1.242 11.074 1.00 0.40 C ATOM 1289 O GLN A 83 6.304 -1.888 11.387 1.00 41.55 O ATOM 1290 CB GLN A 83 7.285 0.974 12.234 1.00 43.13 C ATOM 1291 CG GLN A 83 7.638 1.752 13.493 1.00 50.33 C ATOM 1292 CD GLN A 83 7.265 1.011 14.766 1.00 5.30 C ATOM 1293 OE1 GLN A 83 6.201 0.232 14.714 1.00 63.33 O flip ATOM 1294 NE2 GLN A 83 7.925 1.152 15.792 1.00 51.54 N flip ATOM 0 H GLN A 83 9.590 0.093 10.797 1.00 64.02 H new ATOM 0 HA GLN A 83 7.992 -0.895 13.058 1.00 4.54 H new ATOM 0 HB2 GLN A 83 7.516 1.588 11.363 1.00 43.13 H new ATOM 0 HB3 GLN A 83 6.210 0.793 12.221 1.00 43.13 H new ATOM 0 HG2 GLN A 83 8.708 1.959 13.499 1.00 50.33 H new ATOM 0 HG3 GLN A 83 7.127 2.715 13.475 1.00 50.33 H new ATOM 0 HE21 GLN A 83 8.742 1.763 15.793 1.00 51.54 H new ATOM 0 HE22 GLN A 83 7.657 0.658 16.643 1.00 51.54 H new ATOM 1303 N MET A 84 7.829 -1.277 9.860 1.00 42.13 N ATOM 1304 CA MET A 84 7.180 -2.024 8.790 1.00 63.51 C ATOM 1305 C MET A 84 8.062 -3.157 8.284 1.00 52.43 C ATOM 1306 O MET A 84 9.138 -3.404 8.822 1.00 44.45 O ATOM 1307 CB MET A 84 6.823 -1.080 7.640 1.00 42.01 C ATOM 1308 CG MET A 84 5.940 0.089 8.059 1.00 62.32 C ATOM 1309 SD MET A 84 4.329 -0.437 8.674 1.00 4.50 S ATOM 1310 CE MET A 84 3.671 1.124 9.259 1.00 54.02 C ATOM 0 H MET A 84 8.690 -0.803 9.589 1.00 42.13 H new ATOM 0 HA MET A 84 6.269 -2.467 9.193 1.00 63.51 H new ATOM 0 HB2 MET A 84 7.742 -0.691 7.202 1.00 42.01 H new ATOM 0 HB3 MET A 84 6.314 -1.647 6.861 1.00 42.01 H new ATOM 0 HG2 MET A 84 6.449 0.664 8.833 1.00 62.32 H new ATOM 0 HG3 MET A 84 5.799 0.755 7.208 1.00 62.32 H new ATOM 0 HE1 MET A 84 2.601 1.023 9.439 1.00 54.02 H new ATOM 0 HE2 MET A 84 4.170 1.404 10.187 1.00 54.02 H new ATOM 0 HE3 MET A 84 3.842 1.895 8.508 1.00 54.02 H new ATOM 1320 N GLN A 85 7.589 -3.857 7.257 1.00 54.43 N ATOM 1321 CA GLN A 85 8.348 -4.948 6.653 1.00 32.21 C ATOM 1322 C GLN A 85 9.553 -4.391 5.918 1.00 43.11 C ATOM 1323 O GLN A 85 9.524 -3.253 5.474 1.00 65.33 O ATOM 1324 CB GLN A 85 7.472 -5.768 5.691 1.00 55.45 C ATOM 1325 CG GLN A 85 6.470 -6.704 6.372 1.00 73.02 C ATOM 1326 CD GLN A 85 5.459 -5.978 7.242 1.00 4.15 C ATOM 1327 OE1 GLN A 85 4.406 -5.550 6.765 1.00 62.11 O ATOM 1328 NE2 GLN A 85 5.765 -5.842 8.516 1.00 0.43 N ATOM 0 H GLN A 85 6.681 -3.688 6.824 1.00 54.43 H new ATOM 0 HA GLN A 85 8.686 -5.612 7.449 1.00 32.21 H new ATOM 0 HB2 GLN A 85 6.925 -5.081 5.046 1.00 55.45 H new ATOM 0 HB3 GLN A 85 8.122 -6.361 5.047 1.00 55.45 H new ATOM 0 HG2 GLN A 85 5.939 -7.273 5.609 1.00 73.02 H new ATOM 0 HG3 GLN A 85 7.014 -7.423 6.984 1.00 73.02 H new ATOM 0 HE21 GLN A 85 6.647 -6.211 8.871 1.00 0.43 H new ATOM 0 HE22 GLN A 85 5.120 -5.368 9.148 1.00 0.43 H new ATOM 1337 N LYS A 86 10.590 -5.207 5.772 1.00 11.13 N ATOM 1338 CA LYS A 86 11.855 -4.783 5.149 1.00 60.13 C ATOM 1339 C LYS A 86 11.656 -3.989 3.829 1.00 54.23 C ATOM 1340 O LYS A 86 12.140 -2.862 3.717 1.00 72.31 O ATOM 1341 CB LYS A 86 12.788 -5.990 4.933 1.00 74.43 C ATOM 1342 CG LYS A 86 14.182 -5.622 4.438 1.00 52.42 C ATOM 1343 CD LYS A 86 14.911 -4.736 5.440 1.00 41.05 C ATOM 1344 CE LYS A 86 16.324 -4.407 4.981 1.00 53.32 C ATOM 1345 NZ LYS A 86 16.337 -3.647 3.705 1.00 4.22 N ATOM 0 H LYS A 86 10.586 -6.180 6.078 1.00 11.13 H new ATOM 0 HA LYS A 86 12.326 -4.092 5.848 1.00 60.13 H new ATOM 0 HB2 LYS A 86 12.881 -6.536 5.872 1.00 74.43 H new ATOM 0 HB3 LYS A 86 12.327 -6.667 4.214 1.00 74.43 H new ATOM 0 HG2 LYS A 86 14.760 -6.530 4.265 1.00 52.42 H new ATOM 0 HG3 LYS A 86 14.106 -5.105 3.481 1.00 52.42 H new ATOM 0 HD2 LYS A 86 14.351 -3.812 5.583 1.00 41.05 H new ATOM 0 HD3 LYS A 86 14.951 -5.237 6.407 1.00 41.05 H new ATOM 0 HE2 LYS A 86 16.829 -3.826 5.753 1.00 53.32 H new ATOM 0 HE3 LYS A 86 16.888 -5.331 4.857 1.00 53.32 H new ATOM 0 HZ1 LYS A 86 17.303 -3.314 3.509 1.00 4.22 H new ATOM 0 HZ2 LYS A 86 16.020 -4.264 2.930 1.00 4.22 H new ATOM 0 HZ3 LYS A 86 15.698 -2.830 3.781 1.00 4.22 H new ATOM 1359 N PRO A 87 10.934 -4.548 2.818 1.00 4.24 N ATOM 1360 CA PRO A 87 10.713 -3.852 1.539 1.00 74.24 C ATOM 1361 C PRO A 87 9.939 -2.534 1.708 1.00 14.12 C ATOM 1362 O PRO A 87 10.195 -1.555 1.005 1.00 64.41 O ATOM 1363 CB PRO A 87 9.885 -4.855 0.720 1.00 33.32 C ATOM 1364 CG PRO A 87 9.281 -5.768 1.731 1.00 45.31 C ATOM 1365 CD PRO A 87 10.295 -5.882 2.824 1.00 43.34 C ATOM 0 HA PRO A 87 11.655 -3.569 1.069 1.00 74.24 H new ATOM 0 HB2 PRO A 87 9.117 -4.349 0.135 1.00 33.32 H new ATOM 0 HB3 PRO A 87 10.511 -5.403 0.016 1.00 33.32 H new ATOM 0 HG2 PRO A 87 8.340 -5.367 2.109 1.00 45.31 H new ATOM 0 HG3 PRO A 87 9.061 -6.743 1.297 1.00 45.31 H new ATOM 0 HD2 PRO A 87 9.831 -6.104 3.785 1.00 43.34 H new ATOM 0 HD3 PRO A 87 11.015 -6.676 2.627 1.00 43.34 H new ATOM 1373 N PHE A 88 9.010 -2.514 2.650 1.00 63.33 N ATOM 1374 CA PHE A 88 8.192 -1.332 2.900 1.00 42.25 C ATOM 1375 C PHE A 88 9.017 -0.285 3.649 1.00 13.02 C ATOM 1376 O PHE A 88 9.004 0.893 3.309 1.00 61.25 O ATOM 1377 CB PHE A 88 6.950 -1.721 3.723 1.00 5.03 C ATOM 1378 CG PHE A 88 5.870 -0.665 3.778 1.00 11.45 C ATOM 1379 CD1 PHE A 88 4.706 -0.811 3.042 1.00 64.01 C ATOM 1380 CD2 PHE A 88 6.015 0.467 4.568 1.00 24.22 C ATOM 1381 CE1 PHE A 88 3.710 0.147 3.091 1.00 33.44 C ATOM 1382 CE2 PHE A 88 5.023 1.428 4.619 1.00 71.55 C ATOM 1383 CZ PHE A 88 3.869 1.267 3.881 1.00 1.00 C ATOM 0 H PHE A 88 8.801 -3.306 3.258 1.00 63.33 H new ATOM 0 HA PHE A 88 7.865 -0.911 1.949 1.00 42.25 H new ATOM 0 HB2 PHE A 88 6.525 -2.634 3.305 1.00 5.03 H new ATOM 0 HB3 PHE A 88 7.264 -1.953 4.741 1.00 5.03 H new ATOM 0 HD1 PHE A 88 4.574 -1.685 2.421 1.00 64.01 H new ATOM 0 HD2 PHE A 88 6.915 0.599 5.151 1.00 24.22 H new ATOM 0 HE1 PHE A 88 2.808 0.019 2.511 1.00 33.44 H new ATOM 0 HE2 PHE A 88 5.151 2.305 5.237 1.00 71.55 H new ATOM 0 HZ PHE A 88 3.092 2.016 3.921 1.00 1.00 H new ATOM 1393 N GLU A 89 9.741 -0.753 4.652 1.00 43.22 N ATOM 1394 CA GLU A 89 10.592 0.076 5.498 1.00 13.11 C ATOM 1395 C GLU A 89 11.624 0.831 4.654 1.00 20.53 C ATOM 1396 O GLU A 89 11.909 2.010 4.895 1.00 31.42 O ATOM 1397 CB GLU A 89 11.304 -0.835 6.505 1.00 21.14 C ATOM 1398 CG GLU A 89 12.099 -0.118 7.573 1.00 34.00 C ATOM 1399 CD GLU A 89 11.226 0.642 8.544 1.00 24.11 C ATOM 1400 OE1 GLU A 89 11.436 1.856 8.703 1.00 33.14 O ATOM 1401 OE2 GLU A 89 10.337 0.014 9.177 1.00 74.22 O ATOM 0 H GLU A 89 9.756 -1.740 4.909 1.00 43.22 H new ATOM 0 HA GLU A 89 9.982 0.813 6.020 1.00 13.11 H new ATOM 0 HB2 GLU A 89 10.559 -1.465 6.991 1.00 21.14 H new ATOM 0 HB3 GLU A 89 11.975 -1.498 5.959 1.00 21.14 H new ATOM 0 HG2 GLU A 89 12.698 -0.844 8.122 1.00 34.00 H new ATOM 0 HG3 GLU A 89 12.794 0.574 7.098 1.00 34.00 H new ATOM 1408 N ASP A 90 12.172 0.140 3.668 1.00 53.45 N ATOM 1409 CA ASP A 90 13.176 0.715 2.782 1.00 3.00 C ATOM 1410 C ASP A 90 12.566 1.743 1.837 1.00 42.30 C ATOM 1411 O ASP A 90 13.085 2.850 1.693 1.00 3.31 O ATOM 1412 CB ASP A 90 13.858 -0.387 1.968 1.00 41.22 C ATOM 1413 CG ASP A 90 14.897 0.155 1.004 1.00 53.12 C ATOM 1414 OD1 ASP A 90 14.638 0.163 -0.221 1.00 33.40 O ATOM 1415 OD2 ASP A 90 15.978 0.575 1.466 1.00 70.20 O ATOM 0 H ASP A 90 11.937 -0.830 3.458 1.00 53.45 H new ATOM 0 HA ASP A 90 13.914 1.219 3.406 1.00 3.00 H new ATOM 0 HB2 ASP A 90 14.333 -1.094 2.648 1.00 41.22 H new ATOM 0 HB3 ASP A 90 13.103 -0.940 1.409 1.00 41.22 H new ATOM 1420 N ALA A 91 11.460 1.374 1.211 1.00 44.53 N ATOM 1421 CA ALA A 91 10.815 2.229 0.222 1.00 62.54 C ATOM 1422 C ALA A 91 10.163 3.464 0.843 1.00 63.21 C ATOM 1423 O ALA A 91 10.232 4.550 0.275 1.00 21.51 O ATOM 1424 CB ALA A 91 9.798 1.433 -0.579 1.00 61.22 C ATOM 0 H ALA A 91 10.987 0.484 1.370 1.00 44.53 H new ATOM 0 HA ALA A 91 11.597 2.591 -0.446 1.00 62.54 H new ATOM 0 HB1 ALA A 91 9.324 2.084 -1.314 1.00 61.22 H new ATOM 0 HB2 ALA A 91 10.300 0.612 -1.091 1.00 61.22 H new ATOM 0 HB3 ALA A 91 9.040 1.031 0.093 1.00 61.22 H new ATOM 1430 N ALA A 92 9.548 3.296 2.009 1.00 71.41 N ATOM 1431 CA ALA A 92 8.840 4.395 2.679 1.00 41.11 C ATOM 1432 C ALA A 92 9.748 5.597 2.927 1.00 21.34 C ATOM 1433 O ALA A 92 9.361 6.740 2.690 1.00 60.10 O ATOM 1434 CB ALA A 92 8.231 3.915 3.987 1.00 30.11 C ATOM 0 H ALA A 92 9.522 2.411 2.515 1.00 71.41 H new ATOM 0 HA ALA A 92 8.043 4.721 2.011 1.00 41.11 H new ATOM 0 HB1 ALA A 92 7.710 4.741 4.471 1.00 30.11 H new ATOM 0 HB2 ALA A 92 7.525 3.109 3.786 1.00 30.11 H new ATOM 0 HB3 ALA A 92 9.021 3.550 4.644 1.00 30.11 H new ATOM 1440 N PHE A 93 10.959 5.333 3.386 1.00 64.44 N ATOM 1441 CA PHE A 93 11.907 6.399 3.690 1.00 10.12 C ATOM 1442 C PHE A 93 12.774 6.748 2.482 1.00 64.21 C ATOM 1443 O PHE A 93 13.678 7.573 2.579 1.00 72.04 O ATOM 1444 CB PHE A 93 12.787 6.010 4.883 1.00 62.12 C ATOM 1445 CG PHE A 93 12.056 5.996 6.200 1.00 30.43 C ATOM 1446 CD1 PHE A 93 12.179 7.055 7.084 1.00 65.10 C ATOM 1447 CD2 PHE A 93 11.248 4.926 6.554 1.00 53.24 C ATOM 1448 CE1 PHE A 93 11.511 7.048 8.293 1.00 14.41 C ATOM 1449 CE2 PHE A 93 10.577 4.915 7.762 1.00 55.44 C ATOM 1450 CZ PHE A 93 10.710 5.977 8.633 1.00 41.14 C ATOM 0 H PHE A 93 11.312 4.392 3.557 1.00 64.44 H new ATOM 0 HA PHE A 93 11.330 7.286 3.949 1.00 10.12 H new ATOM 0 HB2 PHE A 93 13.211 5.022 4.703 1.00 62.12 H new ATOM 0 HB3 PHE A 93 13.622 6.708 4.949 1.00 62.12 H new ATOM 0 HD1 PHE A 93 12.805 7.896 6.825 1.00 65.10 H new ATOM 0 HD2 PHE A 93 11.142 4.091 5.877 1.00 53.24 H new ATOM 0 HE1 PHE A 93 11.616 7.881 8.972 1.00 14.41 H new ATOM 0 HE2 PHE A 93 9.949 4.076 8.024 1.00 55.44 H new ATOM 0 HZ PHE A 93 10.188 5.970 9.579 1.00 41.14 H new ATOM 1460 N ALA A 94 12.497 6.123 1.350 1.00 51.41 N ATOM 1461 CA ALA A 94 13.260 6.385 0.139 1.00 72.34 C ATOM 1462 C ALA A 94 12.444 7.183 -0.864 1.00 34.21 C ATOM 1463 O ALA A 94 12.969 7.653 -1.878 1.00 64.24 O ATOM 1464 CB ALA A 94 13.733 5.086 -0.488 1.00 43.44 C ATOM 0 H ALA A 94 11.753 5.433 1.243 1.00 51.41 H new ATOM 0 HA ALA A 94 14.131 6.978 0.419 1.00 72.34 H new ATOM 0 HB1 ALA A 94 14.301 5.304 -1.392 1.00 43.44 H new ATOM 0 HB2 ALA A 94 14.367 4.550 0.219 1.00 43.44 H new ATOM 0 HB3 ALA A 94 12.871 4.469 -0.742 1.00 43.44 H new ATOM 1470 N LEU A 95 11.163 7.336 -0.586 1.00 4.24 N ATOM 1471 CA LEU A 95 10.277 8.065 -1.475 1.00 43.31 C ATOM 1472 C LEU A 95 10.481 9.563 -1.353 1.00 61.11 C ATOM 1473 O LEU A 95 10.921 10.062 -0.319 1.00 5.42 O ATOM 1474 CB LEU A 95 8.818 7.718 -1.195 1.00 35.05 C ATOM 1475 CG LEU A 95 8.390 6.294 -1.536 1.00 24.13 C ATOM 1476 CD1 LEU A 95 6.927 6.093 -1.197 1.00 2.30 C ATOM 1477 CD2 LEU A 95 8.646 5.994 -3.009 1.00 64.42 C ATOM 0 H LEU A 95 10.712 6.965 0.250 1.00 4.24 H new ATOM 0 HA LEU A 95 10.523 7.765 -2.494 1.00 43.31 H new ATOM 0 HB2 LEU A 95 8.621 7.892 -0.137 1.00 35.05 H new ATOM 0 HB3 LEU A 95 8.187 8.409 -1.754 1.00 35.05 H new ATOM 0 HG LEU A 95 8.984 5.600 -0.940 1.00 24.13 H new ATOM 0 HD11 LEU A 95 6.633 5.073 -1.445 1.00 2.30 H new ATOM 0 HD12 LEU A 95 6.773 6.267 -0.132 1.00 2.30 H new ATOM 0 HD13 LEU A 95 6.321 6.795 -1.770 1.00 2.30 H new ATOM 0 HD21 LEU A 95 8.334 4.974 -3.232 1.00 64.42 H new ATOM 0 HD22 LEU A 95 8.078 6.690 -3.626 1.00 64.42 H new ATOM 0 HD23 LEU A 95 9.709 6.103 -3.223 1.00 64.42 H new ATOM 1489 N ARG A 96 10.158 10.269 -2.415 1.00 45.33 N ATOM 1490 CA ARG A 96 10.290 11.711 -2.453 1.00 23.22 C ATOM 1491 C ARG A 96 8.930 12.349 -2.203 1.00 40.24 C ATOM 1492 O ARG A 96 7.910 11.656 -2.215 1.00 34.15 O ATOM 1493 CB ARG A 96 10.843 12.140 -3.814 1.00 21.41 C ATOM 1494 CG ARG A 96 12.151 11.455 -4.180 1.00 74.13 C ATOM 1495 CD ARG A 96 12.508 11.654 -5.647 1.00 72.12 C ATOM 1496 NE ARG A 96 11.519 11.043 -6.550 1.00 41.03 N ATOM 1497 CZ ARG A 96 11.735 9.934 -7.282 1.00 33.10 C ATOM 1498 NH1 ARG A 96 12.897 9.292 -7.204 1.00 10.11 N ATOM 1499 NH2 ARG A 96 10.779 9.466 -8.076 1.00 0.02 N ATOM 0 H ARG A 96 9.796 9.860 -3.277 1.00 45.33 H new ATOM 0 HA ARG A 96 10.981 12.040 -1.677 1.00 23.22 H new ATOM 0 HB2 ARG A 96 10.101 11.924 -4.583 1.00 21.41 H new ATOM 0 HB3 ARG A 96 10.995 13.219 -3.812 1.00 21.41 H new ATOM 0 HG2 ARG A 96 12.953 11.848 -3.555 1.00 74.13 H new ATOM 0 HG3 ARG A 96 12.074 10.389 -3.967 1.00 74.13 H new ATOM 0 HD2 ARG A 96 12.581 12.721 -5.860 1.00 72.12 H new ATOM 0 HD3 ARG A 96 13.490 11.223 -5.842 1.00 72.12 H new ATOM 0 HE ARG A 96 10.606 11.491 -6.626 1.00 41.03 H new ATOM 0 HH11 ARG A 96 13.631 9.639 -6.587 1.00 10.11 H new ATOM 0 HH12 ARG A 96 13.054 8.452 -7.761 1.00 10.11 H new ATOM 0 HH21 ARG A 96 9.881 9.947 -8.131 1.00 0.02 H new ATOM 0 HH22 ARG A 96 10.943 8.626 -8.631 1.00 0.02 H new ATOM 1513 N THR A 97 8.913 13.648 -1.982 1.00 15.20 N ATOM 1514 CA THR A 97 7.679 14.368 -1.706 1.00 63.22 C ATOM 1515 C THR A 97 6.654 14.207 -2.832 1.00 14.53 C ATOM 1516 O THR A 97 6.872 14.664 -3.961 1.00 25.40 O ATOM 1517 CB THR A 97 7.959 15.864 -1.474 1.00 11.21 C ATOM 1518 OG1 THR A 97 8.738 16.024 -0.281 1.00 43.04 O ATOM 1519 CG2 THR A 97 6.663 16.656 -1.355 1.00 62.00 C ATOM 0 H THR A 97 9.747 14.235 -1.988 1.00 15.20 H new ATOM 0 HA THR A 97 7.257 13.933 -0.800 1.00 63.22 H new ATOM 0 HB THR A 97 8.511 16.248 -2.332 1.00 11.21 H new ATOM 0 HG1 THR A 97 8.378 15.447 0.425 1.00 43.04 H new ATOM 0 HG21 THR A 97 6.894 17.709 -1.192 1.00 62.00 H new ATOM 0 HG22 THR A 97 6.086 16.549 -2.273 1.00 62.00 H new ATOM 0 HG23 THR A 97 6.081 16.277 -0.515 1.00 62.00 H new ATOM 1527 N GLY A 98 5.548 13.539 -2.522 1.00 41.01 N ATOM 1528 CA GLY A 98 4.491 13.363 -3.488 1.00 73.44 C ATOM 1529 C GLY A 98 4.670 12.128 -4.343 1.00 72.41 C ATOM 1530 O GLY A 98 3.868 11.874 -5.242 1.00 64.41 O ATOM 0 H GLY A 98 5.369 13.116 -1.612 1.00 41.01 H new ATOM 0 HA2 GLY A 98 3.536 13.301 -2.966 1.00 73.44 H new ATOM 0 HA3 GLY A 98 4.446 14.241 -4.133 1.00 73.44 H new ATOM 1534 N GLU A 99 5.711 11.360 -4.072 1.00 12.11 N ATOM 1535 CA GLU A 99 5.975 10.158 -4.843 1.00 5.22 C ATOM 1536 C GLU A 99 5.277 8.958 -4.246 1.00 1.41 C ATOM 1537 O GLU A 99 4.896 8.960 -3.070 1.00 31.04 O ATOM 1538 CB GLU A 99 7.471 9.898 -4.957 1.00 64.11 C ATOM 1539 CG GLU A 99 8.216 10.964 -5.733 1.00 53.52 C ATOM 1540 CD GLU A 99 7.732 11.101 -7.159 1.00 62.15 C ATOM 1541 OE1 GLU A 99 6.685 11.729 -7.379 1.00 24.04 O ATOM 1542 OE2 GLU A 99 8.416 10.594 -8.067 1.00 31.02 O ATOM 0 H GLU A 99 6.384 11.546 -3.328 1.00 12.11 H new ATOM 0 HA GLU A 99 5.576 10.319 -5.845 1.00 5.22 H new ATOM 0 HB2 GLU A 99 7.896 9.826 -3.956 1.00 64.11 H new ATOM 0 HB3 GLU A 99 7.628 8.933 -5.440 1.00 64.11 H new ATOM 0 HG2 GLU A 99 8.105 11.921 -5.224 1.00 53.52 H new ATOM 0 HG3 GLU A 99 9.280 10.726 -5.737 1.00 53.52 H new ATOM 1549 N MET A 100 5.122 7.936 -5.051 1.00 42.33 N ATOM 1550 CA MET A 100 4.441 6.735 -4.644 1.00 72.03 C ATOM 1551 C MET A 100 5.251 5.516 -5.055 1.00 3.02 C ATOM 1552 O MET A 100 5.709 5.421 -6.192 1.00 22.24 O ATOM 1553 CB MET A 100 3.050 6.696 -5.278 1.00 31.24 C ATOM 1554 CG MET A 100 2.192 5.523 -4.845 1.00 22.15 C ATOM 1555 SD MET A 100 0.515 5.618 -5.503 1.00 34.40 S ATOM 1556 CE MET A 100 0.845 5.635 -7.261 1.00 24.42 C ATOM 0 H MET A 100 5.467 7.915 -6.011 1.00 42.33 H new ATOM 0 HA MET A 100 4.333 6.727 -3.559 1.00 72.03 H new ATOM 0 HB2 MET A 100 2.528 7.621 -5.034 1.00 31.24 H new ATOM 0 HB3 MET A 100 3.160 6.668 -6.362 1.00 31.24 H new ATOM 0 HG2 MET A 100 2.657 4.594 -5.176 1.00 22.15 H new ATOM 0 HG3 MET A 100 2.151 5.489 -3.756 1.00 22.15 H new ATOM 0 HE1 MET A 100 -0.085 5.477 -7.807 1.00 24.42 H new ATOM 0 HE2 MET A 100 1.272 6.598 -7.542 1.00 24.42 H new ATOM 0 HE3 MET A 100 1.549 4.840 -7.507 1.00 24.42 H new ATOM 1566 N SER A 101 5.440 4.604 -4.126 1.00 32.30 N ATOM 1567 CA SER A 101 6.201 3.398 -4.376 1.00 14.13 C ATOM 1568 C SER A 101 5.431 2.465 -5.293 1.00 50.34 C ATOM 1569 O SER A 101 4.195 2.478 -5.310 1.00 65.11 O ATOM 1570 CB SER A 101 6.521 2.688 -3.051 1.00 75.32 C ATOM 1571 OG SER A 101 7.198 1.458 -3.265 1.00 12.14 O ATOM 0 H SER A 101 5.071 4.677 -3.178 1.00 32.30 H new ATOM 0 HA SER A 101 7.136 3.674 -4.864 1.00 14.13 H new ATOM 0 HB2 SER A 101 7.136 3.338 -2.429 1.00 75.32 H new ATOM 0 HB3 SER A 101 5.596 2.504 -2.504 1.00 75.32 H new ATOM 0 HG SER A 101 7.387 1.034 -2.402 1.00 12.14 H new ATOM 1577 N GLY A 102 6.161 1.662 -6.049 1.00 33.11 N ATOM 1578 CA GLY A 102 5.538 0.707 -6.922 1.00 54.12 C ATOM 1579 C GLY A 102 5.018 -0.490 -6.153 1.00 74.10 C ATOM 1580 O GLY A 102 4.929 -0.447 -4.920 1.00 74.30 O ATOM 0 H GLY A 102 7.181 1.659 -6.069 1.00 33.11 H new ATOM 0 HA2 GLY A 102 4.716 1.183 -7.456 1.00 54.12 H new ATOM 0 HA3 GLY A 102 6.256 0.375 -7.672 1.00 54.12 H new ATOM 1584 N PRO A 103 4.680 -1.577 -6.845 1.00 35.25 N ATOM 1585 CA PRO A 103 4.148 -2.782 -6.214 1.00 34.21 C ATOM 1586 C PRO A 103 5.145 -3.434 -5.254 1.00 10.24 C ATOM 1587 O PRO A 103 6.154 -4.005 -5.679 1.00 22.13 O ATOM 1588 CB PRO A 103 3.859 -3.720 -7.399 1.00 73.05 C ATOM 1589 CG PRO A 103 3.831 -2.832 -8.596 1.00 34.22 C ATOM 1590 CD PRO A 103 4.791 -1.724 -8.302 1.00 14.55 C ATOM 0 HA PRO A 103 3.271 -2.559 -5.606 1.00 34.21 H new ATOM 0 HB2 PRO A 103 4.629 -4.485 -7.493 1.00 73.05 H new ATOM 0 HB3 PRO A 103 2.909 -4.238 -7.270 1.00 73.05 H new ATOM 0 HG2 PRO A 103 4.124 -3.376 -9.494 1.00 34.22 H new ATOM 0 HG3 PRO A 103 2.828 -2.444 -8.772 1.00 34.22 H new ATOM 0 HD2 PRO A 103 5.806 -1.977 -8.607 1.00 14.55 H new ATOM 0 HD3 PRO A 103 4.521 -0.806 -8.823 1.00 14.55 H new ATOM 1598 N VAL A 104 4.873 -3.324 -3.966 1.00 62.31 N ATOM 1599 CA VAL A 104 5.703 -3.949 -2.955 1.00 61.42 C ATOM 1600 C VAL A 104 5.097 -5.291 -2.573 1.00 12.23 C ATOM 1601 O VAL A 104 4.070 -5.351 -1.888 1.00 41.43 O ATOM 1602 CB VAL A 104 5.833 -3.059 -1.695 1.00 24.31 C ATOM 1603 CG1 VAL A 104 6.702 -3.733 -0.647 1.00 21.22 C ATOM 1604 CG2 VAL A 104 6.397 -1.694 -2.058 1.00 22.24 C ATOM 0 H VAL A 104 4.078 -2.804 -3.595 1.00 62.31 H new ATOM 0 HA VAL A 104 6.702 -4.088 -3.369 1.00 61.42 H new ATOM 0 HB VAL A 104 4.837 -2.919 -1.274 1.00 24.31 H new ATOM 0 HG11 VAL A 104 6.780 -3.090 0.230 1.00 21.22 H new ATOM 0 HG12 VAL A 104 6.254 -4.685 -0.360 1.00 21.22 H new ATOM 0 HG13 VAL A 104 7.696 -3.909 -1.057 1.00 21.22 H new ATOM 0 HG21 VAL A 104 6.480 -1.084 -1.159 1.00 22.24 H new ATOM 0 HG22 VAL A 104 7.383 -1.815 -2.507 1.00 22.24 H new ATOM 0 HG23 VAL A 104 5.732 -1.203 -2.769 1.00 22.24 H new ATOM 1614 N PHE A 105 5.723 -6.356 -3.028 1.00 5.43 N ATOM 1615 CA PHE A 105 5.207 -7.701 -2.824 1.00 1.13 C ATOM 1616 C PHE A 105 5.526 -8.226 -1.433 1.00 32.31 C ATOM 1617 O PHE A 105 6.661 -8.137 -0.966 1.00 32.03 O ATOM 1618 CB PHE A 105 5.768 -8.646 -3.887 1.00 43.32 C ATOM 1619 CG PHE A 105 5.529 -8.169 -5.290 1.00 72.35 C ATOM 1620 CD1 PHE A 105 6.513 -7.476 -5.977 1.00 72.22 C ATOM 1621 CD2 PHE A 105 4.318 -8.402 -5.916 1.00 31.32 C ATOM 1622 CE1 PHE A 105 6.292 -7.025 -7.262 1.00 1.41 C ATOM 1623 CE2 PHE A 105 4.093 -7.954 -7.202 1.00 15.42 C ATOM 1624 CZ PHE A 105 5.081 -7.264 -7.875 1.00 53.20 C ATOM 0 H PHE A 105 6.600 -6.319 -3.548 1.00 5.43 H new ATOM 0 HA PHE A 105 4.122 -7.656 -2.916 1.00 1.13 H new ATOM 0 HB2 PHE A 105 6.840 -8.765 -3.729 1.00 43.32 H new ATOM 0 HB3 PHE A 105 5.316 -9.630 -3.763 1.00 43.32 H new ATOM 0 HD1 PHE A 105 7.464 -7.287 -5.501 1.00 72.22 H new ATOM 0 HD2 PHE A 105 3.541 -8.940 -5.393 1.00 31.32 H new ATOM 0 HE1 PHE A 105 7.067 -6.486 -7.787 1.00 1.41 H new ATOM 0 HE2 PHE A 105 3.144 -8.143 -7.682 1.00 15.42 H new ATOM 0 HZ PHE A 105 4.905 -6.912 -8.881 1.00 53.20 H new ATOM 1634 N THR A 106 4.515 -8.766 -0.776 1.00 31.25 N ATOM 1635 CA THR A 106 4.660 -9.342 0.548 1.00 15.15 C ATOM 1636 C THR A 106 3.811 -10.608 0.653 1.00 11.01 C ATOM 1637 O THR A 106 3.147 -10.993 -0.312 1.00 50.13 O ATOM 1638 CB THR A 106 4.229 -8.353 1.653 1.00 24.12 C ATOM 1639 OG1 THR A 106 2.899 -7.889 1.397 1.00 4.31 O ATOM 1640 CG2 THR A 106 5.180 -7.164 1.741 1.00 74.23 C ATOM 0 H THR A 106 3.567 -8.817 -1.148 1.00 31.25 H new ATOM 0 HA THR A 106 5.714 -9.578 0.693 1.00 15.15 H new ATOM 0 HB THR A 106 4.259 -8.881 2.606 1.00 24.12 H new ATOM 0 HG1 THR A 106 2.647 -8.110 0.476 1.00 4.31 H new ATOM 0 HG21 THR A 106 4.846 -6.489 2.529 1.00 74.23 H new ATOM 0 HG22 THR A 106 6.185 -7.518 1.969 1.00 74.23 H new ATOM 0 HG23 THR A 106 5.189 -6.634 0.789 1.00 74.23 H new ATOM 1648 N ASP A 107 3.816 -11.231 1.821 1.00 43.15 N ATOM 1649 CA ASP A 107 3.057 -12.461 2.040 1.00 30.41 C ATOM 1650 C ASP A 107 1.571 -12.163 2.177 1.00 1.02 C ATOM 1651 O ASP A 107 0.728 -12.984 1.825 1.00 44.00 O ATOM 1652 CB ASP A 107 3.564 -13.193 3.285 1.00 11.13 C ATOM 1653 CG ASP A 107 5.036 -13.540 3.201 1.00 2.40 C ATOM 1654 OD1 ASP A 107 5.873 -12.692 3.591 1.00 12.23 O ATOM 1655 OD2 ASP A 107 5.368 -14.656 2.745 1.00 54.34 O ATOM 0 H ASP A 107 4.337 -10.907 2.636 1.00 43.15 H new ATOM 0 HA ASP A 107 3.202 -13.105 1.172 1.00 30.41 H new ATOM 0 HB2 ASP A 107 3.391 -12.570 4.163 1.00 11.13 H new ATOM 0 HB3 ASP A 107 2.987 -14.107 3.424 1.00 11.13 H new ATOM 1660 N SER A 108 1.256 -10.985 2.691 1.00 45.35 N ATOM 1661 CA SER A 108 -0.128 -10.566 2.839 1.00 54.44 C ATOM 1662 C SER A 108 -0.710 -10.169 1.484 1.00 24.15 C ATOM 1663 O SER A 108 -1.867 -10.467 1.172 1.00 72.01 O ATOM 1664 CB SER A 108 -0.222 -9.387 3.811 1.00 73.42 C ATOM 1665 OG SER A 108 0.318 -9.723 5.078 1.00 2.12 O ATOM 0 H SER A 108 1.941 -10.301 3.013 1.00 45.35 H new ATOM 0 HA SER A 108 -0.702 -11.402 3.238 1.00 54.44 H new ATOM 0 HB2 SER A 108 0.313 -8.530 3.401 1.00 73.42 H new ATOM 0 HB3 SER A 108 -1.264 -9.088 3.925 1.00 73.42 H new ATOM 0 HG SER A 108 0.038 -9.057 5.740 1.00 2.12 H new ATOM 1671 N GLY A 109 0.107 -9.517 0.678 1.00 63.04 N ATOM 1672 CA GLY A 109 -0.328 -9.065 -0.618 1.00 73.33 C ATOM 1673 C GLY A 109 0.623 -8.051 -1.191 1.00 43.34 C ATOM 1674 O GLY A 109 1.834 -8.160 -1.007 1.00 64.12 O ATOM 0 H GLY A 109 1.076 -9.291 0.904 1.00 63.04 H new ATOM 0 HA2 GLY A 109 -0.407 -9.916 -1.295 1.00 73.33 H new ATOM 0 HA3 GLY A 109 -1.324 -8.628 -0.538 1.00 73.33 H new ATOM 1678 N ILE A 110 0.095 -7.064 -1.870 1.00 60.41 N ATOM 1679 CA ILE A 110 0.920 -6.028 -2.452 1.00 55.41 C ATOM 1680 C ILE A 110 0.651 -4.696 -1.761 1.00 72.01 C ATOM 1681 O ILE A 110 -0.503 -4.335 -1.513 1.00 42.14 O ATOM 1682 CB ILE A 110 0.679 -5.895 -3.974 1.00 14.45 C ATOM 1683 CG1 ILE A 110 0.864 -7.257 -4.659 1.00 52.41 C ATOM 1684 CG2 ILE A 110 1.633 -4.865 -4.572 1.00 1.23 C ATOM 1685 CD1 ILE A 110 0.591 -7.241 -6.149 1.00 64.44 C ATOM 0 H ILE A 110 -0.905 -6.953 -2.035 1.00 60.41 H new ATOM 0 HA ILE A 110 1.963 -6.309 -2.304 1.00 55.41 H new ATOM 0 HB ILE A 110 -0.344 -5.557 -4.140 1.00 14.45 H new ATOM 0 HG12 ILE A 110 1.885 -7.601 -4.491 1.00 52.41 H new ATOM 0 HG13 ILE A 110 0.202 -7.982 -4.187 1.00 52.41 H new ATOM 0 HG21 ILE A 110 1.453 -4.781 -5.644 1.00 1.23 H new ATOM 0 HG22 ILE A 110 1.466 -3.897 -4.099 1.00 1.23 H new ATOM 0 HG23 ILE A 110 2.662 -5.180 -4.401 1.00 1.23 H new ATOM 0 HD11 ILE A 110 0.744 -8.240 -6.558 1.00 64.44 H new ATOM 0 HD12 ILE A 110 -0.438 -6.930 -6.327 1.00 64.44 H new ATOM 0 HD13 ILE A 110 1.271 -6.542 -6.636 1.00 64.44 H new ATOM 1697 N HIS A 111 1.718 -3.988 -1.425 1.00 35.04 N ATOM 1698 CA HIS A 111 1.607 -2.708 -0.740 1.00 72.02 C ATOM 1699 C HIS A 111 1.988 -1.568 -1.670 1.00 44.43 C ATOM 1700 O HIS A 111 2.938 -1.681 -2.442 1.00 63.55 O ATOM 1701 CB HIS A 111 2.531 -2.652 0.497 1.00 21.11 C ATOM 1702 CG HIS A 111 2.257 -3.679 1.560 1.00 62.13 C ATOM 1703 ND1 HIS A 111 2.144 -3.368 2.900 1.00 64.41 N ATOM 1704 CD2 HIS A 111 2.127 -5.020 1.482 1.00 53.24 C ATOM 1705 CE1 HIS A 111 1.962 -4.473 3.592 1.00 65.32 C ATOM 1706 NE2 HIS A 111 1.946 -5.490 2.759 1.00 31.14 N ATOM 0 H HIS A 111 2.676 -4.280 -1.617 1.00 35.04 H new ATOM 0 HA HIS A 111 0.569 -2.604 -0.424 1.00 72.02 H new ATOM 0 HB2 HIS A 111 3.562 -2.767 0.163 1.00 21.11 H new ATOM 0 HB3 HIS A 111 2.449 -1.661 0.945 1.00 21.11 H new ATOM 0 HD2 HIS A 111 2.159 -5.614 0.581 1.00 53.24 H new ATOM 0 HE1 HIS A 111 1.845 -4.534 4.664 1.00 65.32 H new ATOM 0 HE2 HIS A 111 1.820 -6.468 3.019 1.00 31.14 H new ATOM 1715 N ILE A 112 1.237 -0.491 -1.600 1.00 5.12 N ATOM 1716 CA ILE A 112 1.550 0.721 -2.340 1.00 30.42 C ATOM 1717 C ILE A 112 1.809 1.827 -1.328 1.00 75.44 C ATOM 1718 O ILE A 112 0.996 2.034 -0.435 1.00 12.22 O ATOM 1719 CB ILE A 112 0.389 1.146 -3.273 1.00 54.10 C ATOM 1720 CG1 ILE A 112 -0.025 -0.013 -4.190 1.00 53.03 C ATOM 1721 CG2 ILE A 112 0.791 2.358 -4.099 1.00 51.34 C ATOM 1722 CD1 ILE A 112 -1.199 0.316 -5.094 1.00 13.44 C ATOM 0 H ILE A 112 0.393 -0.426 -1.031 1.00 5.12 H new ATOM 0 HA ILE A 112 2.422 0.537 -2.967 1.00 30.42 H new ATOM 0 HB ILE A 112 -0.467 1.414 -2.654 1.00 54.10 H new ATOM 0 HG12 ILE A 112 0.827 -0.300 -4.806 1.00 53.03 H new ATOM 0 HG13 ILE A 112 -0.281 -0.877 -3.577 1.00 53.03 H new ATOM 0 HG21 ILE A 112 -0.035 2.645 -4.750 1.00 51.34 H new ATOM 0 HG22 ILE A 112 1.034 3.187 -3.434 1.00 51.34 H new ATOM 0 HG23 ILE A 112 1.662 2.112 -4.706 1.00 51.34 H new ATOM 0 HD11 ILE A 112 -1.435 -0.549 -5.713 1.00 13.44 H new ATOM 0 HD12 ILE A 112 -2.066 0.574 -4.485 1.00 13.44 H new ATOM 0 HD13 ILE A 112 -0.940 1.160 -5.734 1.00 13.44 H new ATOM 1734 N ILE A 113 2.929 2.517 -1.445 1.00 62.22 N ATOM 1735 CA ILE A 113 3.303 3.529 -0.453 1.00 10.21 C ATOM 1736 C ILE A 113 3.240 4.936 -1.037 1.00 0.03 C ATOM 1737 O ILE A 113 3.766 5.183 -2.110 1.00 41.52 O ATOM 1738 CB ILE A 113 4.736 3.286 0.072 1.00 13.51 C ATOM 1739 CG1 ILE A 113 4.956 1.802 0.369 1.00 63.22 C ATOM 1740 CG2 ILE A 113 4.992 4.122 1.323 1.00 54.04 C ATOM 1741 CD1 ILE A 113 6.383 1.460 0.728 1.00 1.24 C ATOM 0 H ILE A 113 3.596 2.402 -2.208 1.00 62.22 H new ATOM 0 HA ILE A 113 2.587 3.444 0.364 1.00 10.21 H new ATOM 0 HB ILE A 113 5.442 3.590 -0.701 1.00 13.51 H new ATOM 0 HG12 ILE A 113 4.303 1.504 1.189 1.00 63.22 H new ATOM 0 HG13 ILE A 113 4.660 1.218 -0.503 1.00 63.22 H new ATOM 0 HG21 ILE A 113 6.005 3.940 1.681 1.00 54.04 H new ATOM 0 HG22 ILE A 113 4.876 5.179 1.084 1.00 54.04 H new ATOM 0 HG23 ILE A 113 4.278 3.845 2.098 1.00 54.04 H new ATOM 0 HD11 ILE A 113 6.462 0.391 0.925 1.00 1.24 H new ATOM 0 HD12 ILE A 113 7.040 1.726 -0.100 1.00 1.24 H new ATOM 0 HD13 ILE A 113 6.678 2.016 1.618 1.00 1.24 H new ATOM 1753 N LEU A 114 2.607 5.845 -0.320 1.00 51.13 N ATOM 1754 CA LEU A 114 2.509 7.234 -0.749 1.00 21.53 C ATOM 1755 C LEU A 114 3.241 8.129 0.247 1.00 11.25 C ATOM 1756 O LEU A 114 2.961 8.093 1.450 1.00 13.55 O ATOM 1757 CB LEU A 114 1.023 7.641 -0.868 1.00 11.20 C ATOM 1758 CG LEU A 114 0.696 8.991 -1.560 1.00 54.43 C ATOM 1759 CD1 LEU A 114 1.005 10.179 -0.662 1.00 11.11 C ATOM 1760 CD2 LEU A 114 1.435 9.115 -2.885 1.00 20.30 C ATOM 0 H LEU A 114 2.149 5.648 0.570 1.00 51.13 H new ATOM 0 HA LEU A 114 2.975 7.350 -1.727 1.00 21.53 H new ATOM 0 HB2 LEU A 114 0.502 6.852 -1.410 1.00 11.20 H new ATOM 0 HB3 LEU A 114 0.602 7.669 0.137 1.00 11.20 H new ATOM 0 HG LEU A 114 -0.376 9.000 -1.758 1.00 54.43 H new ATOM 0 HD11 LEU A 114 0.762 11.104 -1.185 1.00 11.11 H new ATOM 0 HD12 LEU A 114 0.411 10.111 0.249 1.00 11.11 H new ATOM 0 HD13 LEU A 114 2.064 10.175 -0.406 1.00 11.11 H new ATOM 0 HD21 LEU A 114 1.189 10.069 -3.351 1.00 20.30 H new ATOM 0 HD22 LEU A 114 2.509 9.063 -2.709 1.00 20.30 H new ATOM 0 HD23 LEU A 114 1.136 8.301 -3.546 1.00 20.30 H new ATOM 1772 N ARG A 115 4.176 8.919 -0.255 1.00 12.10 N ATOM 1773 CA ARG A 115 4.957 9.821 0.582 1.00 3.14 C ATOM 1774 C ARG A 115 4.287 11.195 0.658 1.00 24.54 C ATOM 1775 O ARG A 115 4.184 11.903 -0.350 1.00 63.33 O ATOM 1776 CB ARG A 115 6.373 9.945 0.028 1.00 14.11 C ATOM 1777 CG ARG A 115 7.293 10.824 0.851 1.00 53.30 C ATOM 1778 CD ARG A 115 7.489 10.277 2.252 1.00 3.25 C ATOM 1779 NE ARG A 115 8.373 11.133 3.029 1.00 53.22 N ATOM 1780 CZ ARG A 115 8.036 11.733 4.165 1.00 74.31 C ATOM 1781 NH1 ARG A 115 6.848 11.497 4.726 1.00 51.21 N ATOM 1782 NH2 ARG A 115 8.899 12.551 4.756 1.00 71.11 N ATOM 0 H ARG A 115 4.415 8.955 -1.246 1.00 12.10 H new ATOM 0 HA ARG A 115 5.009 9.412 1.591 1.00 3.14 H new ATOM 0 HB2 ARG A 115 6.810 8.949 -0.044 1.00 14.11 H new ATOM 0 HB3 ARG A 115 6.320 10.344 -0.985 1.00 14.11 H new ATOM 0 HG2 ARG A 115 8.260 10.905 0.354 1.00 53.30 H new ATOM 0 HG3 ARG A 115 6.879 11.831 0.908 1.00 53.30 H new ATOM 0 HD2 ARG A 115 6.524 10.196 2.752 1.00 3.25 H new ATOM 0 HD3 ARG A 115 7.906 9.271 2.198 1.00 3.25 H new ATOM 0 HE ARG A 115 9.318 11.283 2.676 1.00 53.22 H new ATOM 0 HH11 ARG A 115 6.193 10.853 4.282 1.00 51.21 H new ATOM 0 HH12 ARG A 115 6.595 11.961 5.598 1.00 51.21 H new ATOM 0 HH21 ARG A 115 9.814 12.715 4.337 1.00 71.11 H new ATOM 0 HH22 ARG A 115 8.646 13.015 5.629 1.00 71.11 H new ATOM 1796 N THR A 116 3.843 11.564 1.853 1.00 20.11 N ATOM 1797 CA THR A 116 3.121 12.808 2.059 1.00 1.42 C ATOM 1798 C THR A 116 4.040 14.038 2.192 1.00 3.14 C ATOM 1799 O THR A 116 3.926 14.984 1.407 1.00 12.01 O ATOM 1800 CB THR A 116 2.217 12.705 3.297 1.00 40.01 C ATOM 1801 OG1 THR A 116 2.948 12.105 4.377 1.00 41.33 O ATOM 1802 CG2 THR A 116 0.983 11.869 2.994 1.00 41.22 C ATOM 0 H THR A 116 3.973 11.011 2.700 1.00 20.11 H new ATOM 0 HA THR A 116 2.518 12.957 1.163 1.00 1.42 H new ATOM 0 HB THR A 116 1.898 13.709 3.579 1.00 40.01 H new ATOM 0 HG1 THR A 116 3.027 12.746 5.114 1.00 41.33 H new ATOM 0 HG21 THR A 116 0.357 11.809 3.884 1.00 41.22 H new ATOM 0 HG22 THR A 116 0.419 12.332 2.184 1.00 41.22 H new ATOM 0 HG23 THR A 116 1.287 10.866 2.696 1.00 41.22 H new ATOM 1810 N GLU A 117 4.928 14.028 3.187 1.00 4.20 N ATOM 1811 CA GLU A 117 5.816 15.171 3.441 1.00 15.25 C ATOM 1812 C GLU A 117 6.676 15.507 2.232 1.00 74.52 C ATOM 1813 O GLU A 117 6.610 16.664 1.766 1.00 0.00 O ATOM 1814 CB GLU A 117 6.707 14.951 4.672 1.00 72.54 C ATOM 1815 CG GLU A 117 5.984 15.035 6.013 1.00 30.22 C ATOM 1816 CD GLU A 117 5.122 13.831 6.298 1.00 72.20 C ATOM 1817 OE1 GLU A 117 3.890 13.909 6.093 1.00 71.51 O ATOM 1818 OE2 GLU A 117 5.673 12.794 6.737 1.00 61.03 O ATOM 1819 OXT GLU A 117 7.408 14.624 1.750 1.00 0.00 O ATOM 0 H GLU A 117 5.054 13.246 3.830 1.00 4.20 H new ATOM 0 HA GLU A 117 5.161 16.019 3.642 1.00 15.25 H new ATOM 0 HB2 GLU A 117 7.178 13.971 4.591 1.00 72.54 H new ATOM 0 HB3 GLU A 117 7.507 15.691 4.660 1.00 72.54 H new ATOM 0 HG2 GLU A 117 6.720 15.144 6.809 1.00 30.22 H new ATOM 0 HG3 GLU A 117 5.363 15.931 6.028 1.00 30.22 H new