USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 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 12 SER OG : rot 75:sc= 0.833 USER MOD Set 1.2: A 116 THR OG1 : rot -157:sc= 0.802 USER MOD Set 2.1: A 85 GLN : amide:sc= 0.00206 K(o=1.5,f=0.67) USER MOD Set 2.2: A 106 THR OG1 : rot -53:sc= 1.56 USER MOD Set 2.3: A 108 SER OG : rot 4:sc= 0.738 USER MOD Set 2.4: A 111 HIS : no HD1:sc= -0.83 K(o=1.5,f=-3.4!) USER MOD Set 3.1: A 29 GLN : amide:sc= 0.851 K(o=1.7,f=-0.96!) USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= 0.892 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -0.896 K(o=2.7,f=-8.1!) USER MOD Set 4.2: A 65 SER OG : rot -98:sc= 1.6 USER MOD Set 4.3: A 67 CYS SG : rot 155:sc= 0.842 USER MOD Set 4.4: A 69 SER OG : rot 143:sc= 1.15 USER MOD Single : A 11 CYS SG : rot -130:sc= -3.12! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.7) USER MOD Single : A 19 SER OG : rot 180:sc= -0.205 USER MOD Single : A 20 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.13) USER MOD Single : A 21 SER OG : rot -107:sc= 1.31 USER MOD Single : A 25 SER OG : rot 69:sc= 0.454 USER MOD Single : A 26 SER OG : rot -170:sc= 1.01 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0466 (180deg=-0.24) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.23) USER MOD Single : A 44 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.89) USER MOD Single : A 46 TYR OH : rot -88:sc= 1.1 USER MOD Single : A 48 GLN : amide:sc= -0.299 K(o=-0.3,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.01) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 78:sc= 1.3 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 31:sc= -0.0302 USER MOD Single : A 63 GLN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00942 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0187 (180deg=-0.153) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 83 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.23) USER MOD Single : A 84 MET CE :methyl 139:sc= -0.189 (180deg=-1.41) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 92 SER OG : rot 67:sc= 1.15 USER MOD Single : A 97 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 100 MET CE :methyl 164:sc= -0.143 (180deg=-0.675) USER MOD Single : A 101 SER OG : rot 160:sc= -0.917 USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 8 -4.416 -17.936 2.316 1.00 64.21 N ATOM 96 CA ARG A 8 -3.387 -17.175 1.637 1.00 15.23 C ATOM 97 C ARG A 8 -4.010 -16.255 0.599 1.00 2.52 C ATOM 98 O ARG A 8 -4.581 -16.715 -0.394 1.00 44.43 O ATOM 99 CB ARG A 8 -2.391 -18.112 0.956 1.00 30.52 C ATOM 100 CG ARG A 8 -1.668 -19.052 1.904 1.00 44.31 C ATOM 101 CD ARG A 8 -0.753 -19.995 1.146 1.00 32.21 C ATOM 102 NE ARG A 8 0.286 -19.275 0.407 1.00 33.40 N ATOM 103 CZ ARG A 8 0.565 -19.465 -0.886 1.00 0.41 C ATOM 104 NH1 ARG A 8 -0.149 -20.327 -1.611 1.00 74.33 N ATOM 105 NH2 ARG A 8 1.549 -18.782 -1.454 1.00 72.21 N ATOM 0 HA ARG A 8 -2.861 -16.575 2.379 1.00 15.23 H new ATOM 0 HB2 ARG A 8 -2.920 -18.704 0.209 1.00 30.52 H new ATOM 0 HB3 ARG A 8 -1.652 -17.513 0.424 1.00 30.52 H new ATOM 0 HG2 ARG A 8 -1.086 -18.473 2.621 1.00 44.31 H new ATOM 0 HG3 ARG A 8 -2.396 -19.628 2.476 1.00 44.31 H new ATOM 0 HD2 ARG A 8 -0.286 -20.688 1.846 1.00 32.21 H new ATOM 0 HD3 ARG A 8 -1.343 -20.593 0.452 1.00 32.21 H new ATOM 0 HE ARG A 8 0.835 -18.581 0.914 1.00 33.40 H new ATOM 0 HH11 ARG A 8 -0.913 -20.846 -1.179 1.00 74.33 H new ATOM 0 HH12 ARG A 8 0.069 -20.467 -2.597 1.00 74.33 H new ATOM 0 HH21 ARG A 8 2.090 -18.114 -0.904 1.00 72.21 H new ATOM 0 HH22 ARG A 8 1.765 -18.924 -2.441 1.00 72.21 H new ATOM 119 N VAL A 9 -3.906 -14.965 0.824 1.00 53.11 N ATOM 120 CA VAL A 9 -4.457 -13.991 -0.098 1.00 43.23 C ATOM 121 C VAL A 9 -3.342 -13.249 -0.808 1.00 52.55 C ATOM 122 O VAL A 9 -2.263 -13.047 -0.247 1.00 33.03 O ATOM 123 CB VAL A 9 -5.386 -12.969 0.611 1.00 51.55 C ATOM 124 CG1 VAL A 9 -6.562 -13.674 1.263 1.00 71.35 C ATOM 125 CG2 VAL A 9 -4.617 -12.148 1.638 1.00 41.34 C ATOM 0 H VAL A 9 -3.444 -14.562 1.639 1.00 53.11 H new ATOM 0 HA VAL A 9 -5.057 -14.543 -0.822 1.00 43.23 H new ATOM 0 HB VAL A 9 -5.771 -12.286 -0.146 1.00 51.55 H new ATOM 0 HG11 VAL A 9 -7.200 -12.939 1.754 1.00 71.35 H new ATOM 0 HG12 VAL A 9 -7.136 -14.203 0.502 1.00 71.35 H new ATOM 0 HG13 VAL A 9 -6.195 -14.387 2.001 1.00 71.35 H new ATOM 0 HG21 VAL A 9 -5.293 -11.441 2.119 1.00 41.34 H new ATOM 0 HG22 VAL A 9 -4.192 -12.812 2.390 1.00 41.34 H new ATOM 0 HG23 VAL A 9 -3.815 -11.603 1.141 1.00 41.34 H new ATOM 135 N ARG A 10 -3.588 -12.866 -2.035 1.00 31.54 N ATOM 136 CA ARG A 10 -2.611 -12.128 -2.798 1.00 41.11 C ATOM 137 C ARG A 10 -3.022 -10.680 -2.873 1.00 24.04 C ATOM 138 O ARG A 10 -4.086 -10.362 -3.399 1.00 12.42 O ATOM 139 CB ARG A 10 -2.482 -12.705 -4.197 1.00 51.51 C ATOM 140 CG ARG A 10 -1.365 -12.088 -5.004 1.00 65.13 C ATOM 141 CD ARG A 10 -1.239 -12.746 -6.355 1.00 0.44 C ATOM 142 NE ARG A 10 -0.063 -12.280 -7.070 1.00 10.32 N ATOM 143 CZ ARG A 10 0.412 -12.845 -8.172 1.00 25.11 C ATOM 144 NH1 ARG A 10 -0.224 -13.875 -8.721 1.00 23.22 N ATOM 145 NH2 ARG A 10 1.517 -12.374 -8.730 1.00 53.12 N ATOM 0 H ARG A 10 -4.460 -13.053 -2.530 1.00 31.54 H new ATOM 0 HA ARG A 10 -1.643 -12.206 -2.303 1.00 41.11 H new ATOM 0 HB2 ARG A 10 -2.316 -13.780 -4.124 1.00 51.51 H new ATOM 0 HB3 ARG A 10 -3.424 -12.564 -4.728 1.00 51.51 H new ATOM 0 HG2 ARG A 10 -1.552 -11.022 -5.132 1.00 65.13 H new ATOM 0 HG3 ARG A 10 -0.425 -12.184 -4.461 1.00 65.13 H new ATOM 0 HD2 ARG A 10 -1.184 -13.827 -6.230 1.00 0.44 H new ATOM 0 HD3 ARG A 10 -2.131 -12.538 -6.946 1.00 0.44 H new ATOM 0 HE ARG A 10 0.429 -11.466 -6.701 1.00 10.32 H new ATOM 0 HH11 ARG A 10 -1.079 -14.232 -8.295 1.00 23.22 H new ATOM 0 HH12 ARG A 10 0.143 -14.308 -9.568 1.00 23.22 H new ATOM 0 HH21 ARG A 10 2.000 -11.579 -8.312 1.00 53.12 H new ATOM 0 HH22 ARG A 10 1.885 -12.806 -9.577 1.00 53.12 H new ATOM 159 N CYS A 11 -2.195 -9.804 -2.352 1.00 61.54 N ATOM 160 CA CYS A 11 -2.523 -8.399 -2.333 1.00 0.43 C ATOM 161 C CYS A 11 -1.381 -7.549 -2.863 1.00 14.30 C ATOM 162 O CYS A 11 -0.210 -7.810 -2.582 1.00 62.34 O ATOM 163 CB CYS A 11 -2.874 -7.958 -0.909 1.00 2.42 C ATOM 164 SG CYS A 11 -4.117 -8.989 -0.095 1.00 44.43 S ATOM 0 H CYS A 11 -1.293 -10.039 -1.937 1.00 61.54 H new ATOM 0 HA CYS A 11 -3.384 -8.254 -2.985 1.00 0.43 H new ATOM 0 HB2 CYS A 11 -1.966 -7.960 -0.306 1.00 2.42 H new ATOM 0 HB3 CYS A 11 -3.234 -6.930 -0.938 1.00 2.42 H new ATOM 0 HG CYS A 11 -5.047 -8.232 0.407 1.00 44.43 H new ATOM 170 N SER A 12 -1.731 -6.556 -3.646 1.00 71.34 N ATOM 171 CA SER A 12 -0.787 -5.586 -4.129 1.00 65.24 C ATOM 172 C SER A 12 -0.916 -4.345 -3.255 1.00 72.12 C ATOM 173 O SER A 12 -2.022 -4.006 -2.824 1.00 45.31 O ATOM 174 CB SER A 12 -1.070 -5.249 -5.596 1.00 51.33 C ATOM 175 OG SER A 12 -1.016 -6.412 -6.411 1.00 30.01 O ATOM 0 H SER A 12 -2.687 -6.401 -3.966 1.00 71.34 H new ATOM 0 HA SER A 12 0.228 -5.980 -4.076 1.00 65.24 H new ATOM 0 HB2 SER A 12 -2.053 -4.787 -5.682 1.00 51.33 H new ATOM 0 HB3 SER A 12 -0.342 -4.519 -5.951 1.00 51.33 H new ATOM 0 HG SER A 12 -1.826 -6.946 -6.273 1.00 30.01 H new ATOM 181 N HIS A 13 0.186 -3.677 -2.968 1.00 72.44 N ATOM 182 CA HIS A 13 0.121 -2.538 -2.073 1.00 44.43 C ATOM 183 C HIS A 13 0.987 -1.368 -2.511 1.00 3.55 C ATOM 184 O HIS A 13 2.127 -1.538 -2.949 1.00 71.13 O ATOM 185 CB HIS A 13 0.455 -2.951 -0.626 1.00 22.22 C ATOM 186 CG HIS A 13 1.884 -3.382 -0.377 1.00 75.44 C ATOM 187 ND1 HIS A 13 2.491 -3.280 0.857 1.00 20.32 N ATOM 188 CD2 HIS A 13 2.813 -3.925 -1.195 1.00 24.23 C ATOM 189 CE1 HIS A 13 3.723 -3.737 0.782 1.00 53.55 C ATOM 190 NE2 HIS A 13 3.941 -4.133 -0.447 1.00 53.23 N ATOM 0 H HIS A 13 1.114 -3.896 -3.331 1.00 72.44 H new ATOM 0 HA HIS A 13 -0.910 -2.186 -2.114 1.00 44.43 H new ATOM 0 HB2 HIS A 13 0.228 -2.113 0.033 1.00 22.22 H new ATOM 0 HB3 HIS A 13 -0.206 -3.769 -0.340 1.00 22.22 H new ATOM 0 HD1 HIS A 13 2.052 -2.907 1.699 1.00 20.32 H new ATOM 0 HD2 HIS A 13 2.689 -4.152 -2.243 1.00 24.23 H new ATOM 0 HE1 HIS A 13 4.433 -3.778 1.595 1.00 53.55 H new ATOM 199 N LEU A 14 0.425 -0.186 -2.386 1.00 1.11 N ATOM 200 CA LEU A 14 1.123 1.047 -2.673 1.00 54.42 C ATOM 201 C LEU A 14 1.477 1.695 -1.341 1.00 51.34 C ATOM 202 O LEU A 14 0.697 1.608 -0.383 1.00 1.01 O ATOM 203 CB LEU A 14 0.224 1.966 -3.529 1.00 51.43 C ATOM 204 CG LEU A 14 0.880 3.210 -4.149 1.00 42.43 C ATOM 205 CD1 LEU A 14 0.105 3.653 -5.380 1.00 2.23 C ATOM 206 CD2 LEU A 14 0.938 4.349 -3.146 1.00 0.32 C ATOM 0 H LEU A 14 -0.539 -0.053 -2.079 1.00 1.11 H new ATOM 0 HA LEU A 14 2.035 0.863 -3.241 1.00 54.42 H new ATOM 0 HB2 LEU A 14 -0.198 1.368 -4.337 1.00 51.43 H new ATOM 0 HB3 LEU A 14 -0.609 2.297 -2.909 1.00 51.43 H new ATOM 0 HG LEU A 14 1.898 2.947 -4.437 1.00 42.43 H new ATOM 0 HD11 LEU A 14 0.579 4.535 -5.811 1.00 2.23 H new ATOM 0 HD12 LEU A 14 0.099 2.849 -6.115 1.00 2.23 H new ATOM 0 HD13 LEU A 14 -0.920 3.893 -5.098 1.00 2.23 H new ATOM 0 HD21 LEU A 14 1.406 5.218 -3.609 1.00 0.32 H new ATOM 0 HD22 LEU A 14 -0.073 4.607 -2.830 1.00 0.32 H new ATOM 0 HD23 LEU A 14 1.522 4.041 -2.279 1.00 0.32 H new ATOM 218 N LEU A 15 2.644 2.298 -1.252 1.00 1.42 N ATOM 219 CA LEU A 15 3.082 2.897 -0.005 1.00 44.23 C ATOM 220 C LEU A 15 3.635 4.290 -0.212 1.00 1.31 C ATOM 221 O LEU A 15 4.539 4.491 -1.012 1.00 42.02 O ATOM 222 CB LEU A 15 4.147 2.018 0.662 1.00 22.45 C ATOM 223 CG LEU A 15 4.787 2.585 1.936 1.00 40.32 C ATOM 224 CD1 LEU A 15 3.745 2.810 3.019 1.00 3.03 C ATOM 225 CD2 LEU A 15 5.879 1.659 2.434 1.00 61.33 C ATOM 0 H LEU A 15 3.305 2.387 -2.024 1.00 1.42 H new ATOM 0 HA LEU A 15 2.208 2.972 0.642 1.00 44.23 H new ATOM 0 HB2 LEU A 15 3.696 1.056 0.903 1.00 22.45 H new ATOM 0 HB3 LEU A 15 4.938 1.826 -0.063 1.00 22.45 H new ATOM 0 HG LEU A 15 5.230 3.550 1.691 1.00 40.32 H new ATOM 0 HD11 LEU A 15 4.227 3.212 3.910 1.00 3.03 H new ATOM 0 HD12 LEU A 15 2.996 3.516 2.662 1.00 3.03 H new ATOM 0 HD13 LEU A 15 3.264 1.863 3.263 1.00 3.03 H new ATOM 0 HD21 LEU A 15 6.324 2.074 3.338 1.00 61.33 H new ATOM 0 HD22 LEU A 15 5.453 0.680 2.656 1.00 61.33 H new ATOM 0 HD23 LEU A 15 6.646 1.556 1.667 1.00 61.33 H new ATOM 237 N VAL A 16 3.081 5.240 0.504 1.00 51.01 N ATOM 238 CA VAL A 16 3.584 6.595 0.494 1.00 32.01 C ATOM 239 C VAL A 16 3.831 7.043 1.925 1.00 62.43 C ATOM 240 O VAL A 16 2.890 7.264 2.699 1.00 25.33 O ATOM 241 CB VAL A 16 2.625 7.591 -0.213 1.00 22.43 C ATOM 242 CG1 VAL A 16 3.176 9.007 -0.139 1.00 75.00 C ATOM 243 CG2 VAL A 16 2.415 7.193 -1.665 1.00 34.03 C ATOM 0 H VAL A 16 2.272 5.097 1.108 1.00 51.01 H new ATOM 0 HA VAL A 16 4.513 6.597 -0.077 1.00 32.01 H new ATOM 0 HB VAL A 16 1.665 7.559 0.302 1.00 22.43 H new ATOM 0 HG11 VAL A 16 2.491 9.691 -0.640 1.00 75.00 H new ATOM 0 HG12 VAL A 16 3.284 9.301 0.905 1.00 75.00 H new ATOM 0 HG13 VAL A 16 4.149 9.045 -0.629 1.00 75.00 H new ATOM 0 HG21 VAL A 16 1.740 7.903 -2.143 1.00 34.03 H new ATOM 0 HG22 VAL A 16 3.373 7.196 -2.185 1.00 34.03 H new ATOM 0 HG23 VAL A 16 1.981 6.194 -1.709 1.00 34.03 H new ATOM 253 N LYS A 17 5.092 7.118 2.288 1.00 65.33 N ATOM 254 CA LYS A 17 5.485 7.536 3.614 1.00 12.12 C ATOM 255 C LYS A 17 5.507 9.051 3.718 1.00 13.24 C ATOM 256 O LYS A 17 5.238 9.762 2.744 1.00 2.04 O ATOM 257 CB LYS A 17 6.859 6.972 3.973 1.00 20.13 C ATOM 258 CG LYS A 17 6.923 5.458 4.031 1.00 43.43 C ATOM 259 CD LYS A 17 8.317 4.991 4.415 1.00 33.44 C ATOM 260 CE LYS A 17 8.413 3.478 4.427 1.00 5.22 C ATOM 261 NZ LYS A 17 9.770 3.016 4.797 1.00 74.44 N ATOM 0 H LYS A 17 5.873 6.891 1.672 1.00 65.33 H new ATOM 0 HA LYS A 17 4.749 7.147 4.318 1.00 12.12 H new ATOM 0 HB2 LYS A 17 7.585 7.326 3.241 1.00 20.13 H new ATOM 0 HB3 LYS A 17 7.161 7.373 4.941 1.00 20.13 H new ATOM 0 HG2 LYS A 17 6.198 5.086 4.755 1.00 43.43 H new ATOM 0 HG3 LYS A 17 6.649 5.041 3.062 1.00 43.43 H new ATOM 0 HD2 LYS A 17 9.044 5.397 3.712 1.00 33.44 H new ATOM 0 HD3 LYS A 17 8.574 5.381 5.400 1.00 33.44 H new ATOM 0 HE2 LYS A 17 7.687 3.073 5.132 1.00 5.22 H new ATOM 0 HE3 LYS A 17 8.153 3.089 3.442 1.00 5.22 H new ATOM 0 HZ1 LYS A 17 9.796 1.976 4.794 1.00 74.44 H new ATOM 0 HZ2 LYS A 17 10.460 3.381 4.110 1.00 74.44 H new ATOM 0 HZ3 LYS A 17 10.009 3.365 5.747 1.00 74.44 H new ATOM 275 N HIS A 18 5.843 9.540 4.893 1.00 3.24 N ATOM 276 CA HIS A 18 5.883 10.964 5.144 1.00 30.04 C ATOM 277 C HIS A 18 7.030 11.307 6.084 1.00 11.35 C ATOM 278 O HIS A 18 7.576 10.425 6.745 1.00 4.40 O ATOM 279 CB HIS A 18 4.532 11.469 5.699 1.00 21.31 C ATOM 280 CG HIS A 18 4.074 10.806 6.973 1.00 65.10 C ATOM 281 ND1 HIS A 18 3.767 11.508 8.117 1.00 23.00 N ATOM 282 CD2 HIS A 18 3.837 9.504 7.265 1.00 42.43 C ATOM 283 CE1 HIS A 18 3.363 10.670 9.051 1.00 24.40 C ATOM 284 NE2 HIS A 18 3.398 9.452 8.558 1.00 2.10 N ATOM 0 H HIS A 18 6.095 8.965 5.697 1.00 3.24 H new ATOM 0 HA HIS A 18 6.058 11.474 4.197 1.00 30.04 H new ATOM 0 HB2 HIS A 18 4.607 12.542 5.873 1.00 21.31 H new ATOM 0 HB3 HIS A 18 3.767 11.323 4.937 1.00 21.31 H new ATOM 0 HD2 HIS A 18 3.970 8.664 6.600 1.00 42.43 H new ATOM 0 HE1 HIS A 18 3.056 10.938 10.051 1.00 24.40 H new ATOM 0 HE2 HIS A 18 3.139 8.603 9.061 1.00 2.10 H new ATOM 293 N SER A 19 7.383 12.580 6.127 1.00 5.24 N ATOM 294 CA SER A 19 8.494 13.073 6.936 1.00 40.53 C ATOM 295 C SER A 19 8.386 12.659 8.411 1.00 53.35 C ATOM 296 O SER A 19 9.345 12.148 8.993 1.00 64.15 O ATOM 297 CB SER A 19 8.576 14.594 6.810 1.00 51.22 C ATOM 298 OG SER A 19 7.287 15.185 6.940 1.00 44.13 O ATOM 0 H SER A 19 6.905 13.310 5.598 1.00 5.24 H new ATOM 0 HA SER A 19 9.408 12.617 6.555 1.00 40.53 H new ATOM 0 HB2 SER A 19 9.241 14.991 7.577 1.00 51.22 H new ATOM 0 HB3 SER A 19 9.007 14.860 5.845 1.00 51.22 H new ATOM 0 HG SER A 19 7.364 16.159 6.858 1.00 44.13 H new ATOM 304 N GLN A 20 7.225 12.868 9.006 1.00 1.14 N ATOM 305 CA GLN A 20 7.018 12.543 10.412 1.00 42.50 C ATOM 306 C GLN A 20 6.709 11.061 10.606 1.00 25.42 C ATOM 307 O GLN A 20 5.619 10.693 11.040 1.00 33.44 O ATOM 308 CB GLN A 20 5.901 13.403 11.016 1.00 61.23 C ATOM 309 CG GLN A 20 6.173 14.901 10.969 1.00 42.12 C ATOM 310 CD GLN A 20 7.459 15.286 11.672 1.00 31.24 C ATOM 311 OE1 GLN A 20 8.526 15.339 11.058 1.00 11.33 O ATOM 312 NE2 GLN A 20 7.371 15.547 12.960 1.00 73.01 N ATOM 0 H GLN A 20 6.408 13.262 8.539 1.00 1.14 H new ATOM 0 HA GLN A 20 7.948 12.764 10.935 1.00 42.50 H new ATOM 0 HB2 GLN A 20 4.972 13.197 10.485 1.00 61.23 H new ATOM 0 HB3 GLN A 20 5.749 13.105 12.053 1.00 61.23 H new ATOM 0 HG2 GLN A 20 6.222 15.224 9.929 1.00 42.12 H new ATOM 0 HG3 GLN A 20 5.340 15.432 11.429 1.00 42.12 H new ATOM 0 HE21 GLN A 20 6.468 15.492 13.431 1.00 73.01 H new ATOM 0 HE22 GLN A 20 8.206 15.804 13.486 1.00 73.01 H new ATOM 321 N SER A 21 7.662 10.227 10.269 1.00 63.33 N ATOM 322 CA SER A 21 7.528 8.799 10.433 1.00 41.10 C ATOM 323 C SER A 21 8.707 8.276 11.235 1.00 11.14 C ATOM 324 O SER A 21 9.518 9.065 11.737 1.00 34.43 O ATOM 325 CB SER A 21 7.465 8.116 9.065 1.00 32.22 C ATOM 326 OG SER A 21 8.588 8.463 8.271 1.00 51.13 O ATOM 0 H SER A 21 8.555 10.519 9.872 1.00 63.33 H new ATOM 0 HA SER A 21 6.604 8.578 10.968 1.00 41.10 H new ATOM 0 HB2 SER A 21 7.428 7.035 9.196 1.00 32.22 H new ATOM 0 HB3 SER A 21 6.548 8.406 8.551 1.00 32.22 H new ATOM 0 HG SER A 21 8.310 9.080 7.562 1.00 51.13 H new ATOM 332 N ARG A 22 8.808 6.967 11.368 1.00 32.10 N ATOM 333 CA ARG A 22 9.916 6.377 12.092 1.00 44.43 C ATOM 334 C ARG A 22 11.194 6.470 11.272 1.00 74.44 C ATOM 335 O ARG A 22 12.278 6.702 11.813 1.00 73.40 O ATOM 336 CB ARG A 22 9.618 4.926 12.464 1.00 54.40 C ATOM 337 CG ARG A 22 8.479 4.772 13.457 1.00 41.31 C ATOM 338 CD ARG A 22 8.280 3.320 13.855 1.00 2.43 C ATOM 339 NE ARG A 22 9.486 2.745 14.455 1.00 53.34 N ATOM 340 CZ ARG A 22 9.484 1.808 15.406 1.00 71.13 C ATOM 341 NH1 ARG A 22 8.339 1.381 15.926 1.00 72.11 N ATOM 342 NH2 ARG A 22 10.633 1.312 15.844 1.00 44.43 N ATOM 0 H ARG A 22 8.141 6.296 10.987 1.00 32.10 H new ATOM 0 HA ARG A 22 10.055 6.937 13.017 1.00 44.43 H new ATOM 0 HB2 ARG A 22 9.376 4.370 11.558 1.00 54.40 H new ATOM 0 HB3 ARG A 22 10.518 4.476 12.884 1.00 54.40 H new ATOM 0 HG2 ARG A 22 8.686 5.369 14.345 1.00 41.31 H new ATOM 0 HG3 ARG A 22 7.559 5.160 13.020 1.00 41.31 H new ATOM 0 HD2 ARG A 22 7.454 3.248 14.562 1.00 2.43 H new ATOM 0 HD3 ARG A 22 8.000 2.739 12.977 1.00 2.43 H new ATOM 0 HE ARG A 22 10.389 3.084 14.124 1.00 53.34 H new ATOM 0 HH11 ARG A 22 7.454 1.769 15.599 1.00 72.11 H new ATOM 0 HH12 ARG A 22 8.344 0.665 16.652 1.00 72.11 H new ATOM 0 HH21 ARG A 22 11.514 1.646 15.454 1.00 44.43 H new ATOM 0 HH22 ARG A 22 10.636 0.596 16.570 1.00 44.43 H new ATOM 356 N ARG A 23 11.063 6.307 9.969 1.00 72.42 N ATOM 357 CA ARG A 23 12.197 6.404 9.076 1.00 33.41 C ATOM 358 C ARG A 23 11.838 7.227 7.842 1.00 21.33 C ATOM 359 O ARG A 23 11.244 6.710 6.891 1.00 54.04 O ATOM 360 CB ARG A 23 12.685 5.017 8.661 1.00 34.50 C ATOM 361 CG ARG A 23 13.933 5.050 7.795 1.00 70.32 C ATOM 362 CD ARG A 23 14.392 3.653 7.422 1.00 52.40 C ATOM 363 NE ARG A 23 14.675 2.834 8.599 1.00 21.33 N ATOM 364 CZ ARG A 23 15.835 2.215 8.832 1.00 51.33 C ATOM 365 NH1 ARG A 23 16.844 2.329 7.972 1.00 24.34 N ATOM 366 NH2 ARG A 23 15.982 1.482 9.925 1.00 45.02 N ATOM 0 H ARG A 23 10.177 6.106 9.506 1.00 72.42 H new ATOM 0 HA ARG A 23 13.004 6.906 9.610 1.00 33.41 H new ATOM 0 HB2 ARG A 23 12.888 4.429 9.556 1.00 34.50 H new ATOM 0 HB3 ARG A 23 11.889 4.507 8.119 1.00 34.50 H new ATOM 0 HG2 ARG A 23 13.733 5.622 6.889 1.00 70.32 H new ATOM 0 HG3 ARG A 23 14.732 5.566 8.327 1.00 70.32 H new ATOM 0 HD2 ARG A 23 13.623 3.168 6.820 1.00 52.40 H new ATOM 0 HD3 ARG A 23 15.287 3.719 6.803 1.00 52.40 H new ATOM 0 HE ARG A 23 13.934 2.728 9.292 1.00 21.33 H new ATOM 0 HH11 ARG A 23 16.734 2.892 7.129 1.00 24.34 H new ATOM 0 HH12 ARG A 23 17.727 1.853 8.156 1.00 24.34 H new ATOM 0 HH21 ARG A 23 15.210 1.392 10.586 1.00 45.02 H new ATOM 0 HH22 ARG A 23 16.867 1.008 10.106 1.00 45.02 H new ATOM 380 N PRO A 24 12.184 8.524 7.848 1.00 22.42 N ATOM 381 CA PRO A 24 11.917 9.432 6.730 1.00 10.22 C ATOM 382 C PRO A 24 12.880 9.205 5.559 1.00 13.12 C ATOM 383 O PRO A 24 13.463 10.151 5.024 1.00 35.24 O ATOM 384 CB PRO A 24 12.143 10.835 7.338 1.00 2.00 C ATOM 385 CG PRO A 24 12.329 10.612 8.805 1.00 62.33 C ATOM 386 CD PRO A 24 12.845 9.218 8.950 1.00 24.52 C ATOM 0 HA PRO A 24 10.918 9.286 6.320 1.00 10.22 H new ATOM 0 HB2 PRO A 24 13.018 11.316 6.900 1.00 2.00 H new ATOM 0 HB3 PRO A 24 11.291 11.488 7.146 1.00 2.00 H new ATOM 0 HG2 PRO A 24 13.032 11.333 9.223 1.00 62.33 H new ATOM 0 HG3 PRO A 24 11.388 10.737 9.341 1.00 62.33 H new ATOM 0 HD2 PRO A 24 13.931 9.176 8.864 1.00 24.52 H new ATOM 0 HD3 PRO A 24 12.585 8.787 9.917 1.00 24.52 H new ATOM 394 N SER A 25 13.031 7.962 5.155 1.00 23.40 N ATOM 395 CA SER A 25 13.902 7.622 4.055 1.00 53.22 C ATOM 396 C SER A 25 13.269 6.521 3.215 1.00 42.14 C ATOM 397 O SER A 25 12.808 5.507 3.749 1.00 12.04 O ATOM 398 CB SER A 25 15.275 7.180 4.576 1.00 30.02 C ATOM 399 OG SER A 25 16.218 7.066 3.519 1.00 32.51 O ATOM 0 H SER A 25 12.556 7.165 5.578 1.00 23.40 H new ATOM 0 HA SER A 25 14.043 8.504 3.430 1.00 53.22 H new ATOM 0 HB2 SER A 25 15.636 7.899 5.311 1.00 30.02 H new ATOM 0 HB3 SER A 25 15.181 6.222 5.087 1.00 30.02 H new ATOM 0 HG SER A 25 16.423 7.957 3.166 1.00 32.51 H new ATOM 405 N SER A 26 13.230 6.730 1.917 1.00 10.24 N ATOM 406 CA SER A 26 12.660 5.768 0.999 1.00 43.31 C ATOM 407 C SER A 26 13.692 5.405 -0.053 1.00 11.30 C ATOM 408 O SER A 26 14.890 5.650 0.132 1.00 43.21 O ATOM 409 CB SER A 26 11.433 6.379 0.322 1.00 53.23 C ATOM 410 OG SER A 26 11.803 7.518 -0.457 1.00 31.14 O ATOM 0 H SER A 26 13.592 7.571 1.468 1.00 10.24 H new ATOM 0 HA SER A 26 12.365 4.871 1.544 1.00 43.31 H new ATOM 0 HB2 SER A 26 10.955 5.635 -0.316 1.00 53.23 H new ATOM 0 HB3 SER A 26 10.702 6.670 1.076 1.00 53.23 H new ATOM 0 HG SER A 26 10.996 7.988 -0.753 1.00 31.14 H new ATOM 415 N TRP A 27 13.248 4.802 -1.140 1.00 42.31 N ATOM 416 CA TRP A 27 14.128 4.533 -2.253 1.00 14.34 C ATOM 417 C TRP A 27 13.840 5.540 -3.356 1.00 50.35 C ATOM 418 O TRP A 27 14.474 5.539 -4.411 1.00 2.32 O ATOM 419 CB TRP A 27 13.977 3.089 -2.761 1.00 44.21 C ATOM 420 CG TRP A 27 12.673 2.795 -3.440 1.00 33.22 C ATOM 421 CD1 TRP A 27 11.465 2.589 -2.848 1.00 4.31 C ATOM 422 CD2 TRP A 27 12.457 2.653 -4.850 1.00 34.35 C ATOM 423 NE1 TRP A 27 10.513 2.341 -3.801 1.00 25.24 N ATOM 424 CE2 TRP A 27 11.095 2.373 -5.036 1.00 62.45 C ATOM 425 CE3 TRP A 27 13.284 2.742 -5.972 1.00 13.31 C ATOM 426 CZ2 TRP A 27 10.538 2.179 -6.297 1.00 52.45 C ATOM 427 CZ3 TRP A 27 12.731 2.549 -7.222 1.00 44.32 C ATOM 428 CH2 TRP A 27 11.370 2.270 -7.375 1.00 71.41 C ATOM 0 H TRP A 27 12.285 4.491 -1.272 1.00 42.31 H new ATOM 0 HA TRP A 27 15.162 4.637 -1.925 1.00 14.34 H new ATOM 0 HB2 TRP A 27 14.789 2.877 -3.457 1.00 44.21 H new ATOM 0 HB3 TRP A 27 14.093 2.408 -1.918 1.00 44.21 H new ATOM 0 HD1 TRP A 27 11.284 2.617 -1.784 1.00 4.31 H new ATOM 0 HE1 TRP A 27 9.526 2.161 -3.617 1.00 25.24 H new ATOM 0 HE3 TRP A 27 14.337 2.958 -5.864 1.00 13.31 H new ATOM 0 HZ2 TRP A 27 9.486 1.964 -6.418 1.00 52.45 H new ATOM 0 HZ3 TRP A 27 13.361 2.615 -8.097 1.00 44.32 H new ATOM 0 HH2 TRP A 27 10.968 2.123 -8.367 1.00 71.41 H new ATOM 439 N ARG A 28 12.872 6.413 -3.081 1.00 51.30 N ATOM 440 CA ARG A 28 12.487 7.460 -4.002 1.00 40.53 C ATOM 441 C ARG A 28 13.265 8.715 -3.675 1.00 13.54 C ATOM 442 O ARG A 28 13.868 9.336 -4.550 1.00 10.13 O ATOM 443 CB ARG A 28 10.981 7.745 -3.901 1.00 73.24 C ATOM 444 CG ARG A 28 10.092 6.533 -4.147 1.00 31.03 C ATOM 445 CD ARG A 28 10.359 5.909 -5.507 1.00 70.20 C ATOM 446 NE ARG A 28 10.168 6.859 -6.605 1.00 11.24 N ATOM 447 CZ ARG A 28 10.449 6.590 -7.884 1.00 71.53 C ATOM 448 NH1 ARG A 28 10.937 5.405 -8.225 1.00 33.44 N ATOM 449 NH2 ARG A 28 10.243 7.505 -8.818 1.00 74.31 N ATOM 0 H ARG A 28 12.338 6.407 -2.212 1.00 51.30 H new ATOM 0 HA ARG A 28 12.708 7.137 -5.019 1.00 40.53 H new ATOM 0 HB2 ARG A 28 10.765 8.143 -2.910 1.00 73.24 H new ATOM 0 HB3 ARG A 28 10.722 8.522 -4.620 1.00 73.24 H new ATOM 0 HG2 ARG A 28 10.263 5.792 -3.366 1.00 31.03 H new ATOM 0 HG3 ARG A 28 9.045 6.830 -4.082 1.00 31.03 H new ATOM 0 HD2 ARG A 28 11.380 5.527 -5.534 1.00 70.20 H new ATOM 0 HD3 ARG A 28 9.695 5.056 -5.649 1.00 70.20 H new ATOM 0 HE ARG A 28 9.798 7.783 -6.380 1.00 11.24 H new ATOM 0 HH11 ARG A 28 11.099 4.695 -7.510 1.00 33.44 H new ATOM 0 HH12 ARG A 28 11.150 5.203 -9.202 1.00 33.44 H new ATOM 0 HH21 ARG A 28 9.869 8.419 -8.563 1.00 74.31 H new ATOM 0 HH22 ARG A 28 10.459 7.296 -9.793 1.00 74.31 H new ATOM 463 N GLN A 29 13.255 9.078 -2.405 1.00 52.32 N ATOM 464 CA GLN A 29 13.979 10.241 -1.933 1.00 50.05 C ATOM 465 C GLN A 29 15.039 9.819 -0.937 1.00 30.55 C ATOM 466 O GLN A 29 14.868 8.822 -0.224 1.00 54.43 O ATOM 467 CB GLN A 29 13.032 11.231 -1.247 1.00 5.24 C ATOM 468 CG GLN A 29 11.940 11.795 -2.135 1.00 12.13 C ATOM 469 CD GLN A 29 11.107 12.842 -1.416 1.00 51.32 C ATOM 470 OE1 GLN A 29 10.094 12.532 -0.789 1.00 72.52 O ATOM 471 NE2 GLN A 29 11.536 14.085 -1.492 1.00 43.33 N ATOM 0 H GLN A 29 12.747 8.577 -1.676 1.00 52.32 H new ATOM 0 HA GLN A 29 14.441 10.722 -2.795 1.00 50.05 H new ATOM 0 HB2 GLN A 29 12.567 10.735 -0.396 1.00 5.24 H new ATOM 0 HB3 GLN A 29 13.621 12.058 -0.851 1.00 5.24 H new ATOM 0 HG2 GLN A 29 12.388 12.237 -3.025 1.00 12.13 H new ATOM 0 HG3 GLN A 29 11.293 10.986 -2.472 1.00 12.13 H new ATOM 0 HE21 GLN A 29 12.380 14.302 -2.022 1.00 43.33 H new ATOM 0 HE22 GLN A 29 11.024 14.831 -1.021 1.00 43.33 H new ATOM 480 N GLU A 30 16.140 10.556 -0.894 1.00 60.15 N ATOM 481 CA GLU A 30 17.170 10.308 0.100 1.00 74.20 C ATOM 482 C GLU A 30 16.565 10.588 1.467 1.00 31.14 C ATOM 483 O GLU A 30 16.732 9.819 2.423 1.00 23.41 O ATOM 484 CB GLU A 30 18.372 11.229 -0.143 1.00 42.34 C ATOM 485 CG GLU A 30 19.574 10.938 0.741 1.00 45.33 C ATOM 486 CD GLU A 30 20.256 9.635 0.388 1.00 12.31 C ATOM 487 OE1 GLU A 30 19.874 8.582 0.947 1.00 23.25 O ATOM 488 OE2 GLU A 30 21.176 9.657 -0.454 1.00 34.32 O ATOM 0 H GLU A 30 16.341 11.326 -1.533 1.00 60.15 H new ATOM 0 HA GLU A 30 17.519 9.277 0.039 1.00 74.20 H new ATOM 0 HB2 GLU A 30 18.675 11.144 -1.187 1.00 42.34 H new ATOM 0 HB3 GLU A 30 18.061 12.262 0.015 1.00 42.34 H new ATOM 0 HG2 GLU A 30 20.291 11.754 0.653 1.00 45.33 H new ATOM 0 HG3 GLU A 30 19.255 10.906 1.783 1.00 45.33 H new ATOM 495 N LYS A 31 15.838 11.687 1.528 1.00 42.42 N ATOM 496 CA LYS A 31 15.119 12.090 2.707 1.00 52.41 C ATOM 497 C LYS A 31 13.689 12.449 2.311 1.00 13.23 C ATOM 498 O LYS A 31 13.473 13.251 1.400 1.00 21.32 O ATOM 499 CB LYS A 31 15.817 13.283 3.386 1.00 52.04 C ATOM 500 CG LYS A 31 15.966 14.505 2.490 1.00 72.24 C ATOM 501 CD LYS A 31 16.734 15.617 3.177 1.00 10.24 C ATOM 502 CE LYS A 31 16.792 16.863 2.306 1.00 21.54 C ATOM 503 NZ LYS A 31 17.365 16.581 0.963 1.00 64.13 N ATOM 0 H LYS A 31 15.733 12.331 0.744 1.00 42.42 H new ATOM 0 HA LYS A 31 15.101 11.270 3.424 1.00 52.41 H new ATOM 0 HB2 LYS A 31 15.252 13.564 4.275 1.00 52.04 H new ATOM 0 HB3 LYS A 31 16.805 12.969 3.722 1.00 52.04 H new ATOM 0 HG2 LYS A 31 16.480 14.222 1.572 1.00 72.24 H new ATOM 0 HG3 LYS A 31 14.979 14.868 2.204 1.00 72.24 H new ATOM 0 HD2 LYS A 31 16.259 15.857 4.129 1.00 10.24 H new ATOM 0 HD3 LYS A 31 17.746 15.279 3.402 1.00 10.24 H new ATOM 0 HE2 LYS A 31 15.788 17.272 2.193 1.00 21.54 H new ATOM 0 HE3 LYS A 31 17.393 17.625 2.803 1.00 21.54 H new ATOM 0 HZ1 LYS A 31 17.575 17.478 0.480 1.00 64.13 H new ATOM 0 HZ2 LYS A 31 18.241 16.031 1.068 1.00 64.13 H new ATOM 0 HZ3 LYS A 31 16.680 16.037 0.401 1.00 64.13 H new ATOM 517 N ILE A 32 12.726 11.835 2.962 1.00 54.53 N ATOM 518 CA ILE A 32 11.329 12.079 2.651 1.00 1.22 C ATOM 519 C ILE A 32 10.911 13.461 3.130 1.00 44.33 C ATOM 520 O ILE A 32 10.773 13.702 4.332 1.00 43.44 O ATOM 521 CB ILE A 32 10.413 11.003 3.274 1.00 11.32 C ATOM 522 CG1 ILE A 32 10.797 9.618 2.746 1.00 43.03 C ATOM 523 CG2 ILE A 32 8.951 11.302 2.969 1.00 4.44 C ATOM 524 CD1 ILE A 32 9.984 8.493 3.344 1.00 2.03 C ATOM 0 H ILE A 32 12.882 11.161 3.712 1.00 54.53 H new ATOM 0 HA ILE A 32 11.219 12.028 1.568 1.00 1.22 H new ATOM 0 HB ILE A 32 10.545 11.016 4.356 1.00 11.32 H new ATOM 0 HG12 ILE A 32 10.676 9.606 1.663 1.00 43.03 H new ATOM 0 HG13 ILE A 32 11.853 9.440 2.951 1.00 43.03 H new ATOM 0 HG21 ILE A 32 8.321 10.533 3.416 1.00 4.44 H new ATOM 0 HG22 ILE A 32 8.685 12.275 3.382 1.00 4.44 H new ATOM 0 HG23 ILE A 32 8.799 11.313 1.890 1.00 4.44 H new ATOM 0 HD11 ILE A 32 10.312 7.543 2.923 1.00 2.03 H new ATOM 0 HD12 ILE A 32 10.123 8.478 4.425 1.00 2.03 H new ATOM 0 HD13 ILE A 32 8.929 8.646 3.116 1.00 2.03 H new ATOM 536 N THR A 33 10.741 14.366 2.191 1.00 33.25 N ATOM 537 CA THR A 33 10.367 15.726 2.501 1.00 70.34 C ATOM 538 C THR A 33 8.854 15.898 2.539 1.00 5.22 C ATOM 539 O THR A 33 8.344 16.788 3.219 1.00 3.15 O ATOM 540 CB THR A 33 10.978 16.702 1.488 1.00 61.11 C ATOM 541 OG1 THR A 33 10.748 16.222 0.152 1.00 25.42 O ATOM 542 CG2 THR A 33 12.472 16.850 1.727 1.00 10.21 C ATOM 0 H THR A 33 10.858 14.180 1.195 1.00 33.25 H new ATOM 0 HA THR A 33 10.759 15.951 3.493 1.00 70.34 H new ATOM 0 HB THR A 33 10.504 17.676 1.612 1.00 61.11 H new ATOM 0 HG1 THR A 33 11.139 16.849 -0.492 1.00 25.42 H new ATOM 0 HG21 THR A 33 12.890 17.546 1.000 1.00 10.21 H new ATOM 0 HG22 THR A 33 12.643 17.231 2.734 1.00 10.21 H new ATOM 0 HG23 THR A 33 12.956 15.879 1.619 1.00 10.21 H new ATOM 550 N ARG A 34 8.147 15.046 1.806 1.00 44.42 N ATOM 551 CA ARG A 34 6.687 15.089 1.767 1.00 44.21 C ATOM 552 C ARG A 34 6.090 14.800 3.138 1.00 3.13 C ATOM 553 O ARG A 34 6.387 13.775 3.756 1.00 74.04 O ATOM 554 CB ARG A 34 6.134 14.112 0.715 1.00 63.22 C ATOM 555 CG ARG A 34 6.934 12.825 0.577 1.00 42.24 C ATOM 556 CD ARG A 34 6.271 11.849 -0.379 1.00 41.34 C ATOM 557 NE ARG A 34 7.243 10.945 -1.000 1.00 70.44 N ATOM 558 CZ ARG A 34 7.378 9.643 -0.718 1.00 34.22 C ATOM 559 NH1 ARG A 34 6.660 9.079 0.242 1.00 34.54 N ATOM 560 NH2 ARG A 34 8.256 8.911 -1.393 1.00 14.22 N ATOM 0 H ARG A 34 8.561 14.314 1.228 1.00 44.42 H new ATOM 0 HA ARG A 34 6.394 16.099 1.480 1.00 44.21 H new ATOM 0 HB2 ARG A 34 5.105 13.861 0.974 1.00 63.22 H new ATOM 0 HB3 ARG A 34 6.106 14.615 -0.252 1.00 63.22 H new ATOM 0 HG2 ARG A 34 7.938 13.057 0.221 1.00 42.24 H new ATOM 0 HG3 ARG A 34 7.043 12.358 1.556 1.00 42.24 H new ATOM 0 HD2 ARG A 34 5.524 11.265 0.159 1.00 41.34 H new ATOM 0 HD3 ARG A 34 5.743 12.403 -1.155 1.00 41.34 H new ATOM 0 HE ARG A 34 7.867 11.339 -1.704 1.00 70.44 H new ATOM 0 HH11 ARG A 34 5.995 9.638 0.776 1.00 34.54 H new ATOM 0 HH12 ARG A 34 6.773 8.086 0.447 1.00 34.54 H new ATOM 0 HH21 ARG A 34 8.824 9.341 -2.123 1.00 14.22 H new ATOM 0 HH22 ARG A 34 8.362 7.919 -1.182 1.00 14.22 H new ATOM 574 N THR A 35 5.264 15.711 3.612 1.00 55.13 N ATOM 575 CA THR A 35 4.633 15.565 4.904 1.00 12.43 C ATOM 576 C THR A 35 3.324 14.775 4.773 1.00 13.11 C ATOM 577 O THR A 35 2.929 14.403 3.670 1.00 12.30 O ATOM 578 CB THR A 35 4.370 16.948 5.565 1.00 2.13 C ATOM 579 OG1 THR A 35 3.988 16.782 6.933 1.00 55.34 O ATOM 580 CG2 THR A 35 3.282 17.715 4.831 1.00 21.44 C ATOM 0 H THR A 35 5.014 16.566 3.115 1.00 55.13 H new ATOM 0 HA THR A 35 5.315 15.011 5.549 1.00 12.43 H new ATOM 0 HB THR A 35 5.297 17.519 5.509 1.00 2.13 H new ATOM 0 HG1 THR A 35 3.827 17.660 7.337 1.00 55.34 H new ATOM 0 HG21 THR A 35 3.123 18.677 5.318 1.00 21.44 H new ATOM 0 HG22 THR A 35 3.586 17.878 3.797 1.00 21.44 H new ATOM 0 HG23 THR A 35 2.356 17.141 4.850 1.00 21.44 H new ATOM 588 N LYS A 36 2.661 14.529 5.898 1.00 24.44 N ATOM 589 CA LYS A 36 1.417 13.761 5.920 1.00 35.25 C ATOM 590 C LYS A 36 0.351 14.405 5.037 1.00 34.24 C ATOM 591 O LYS A 36 -0.297 13.727 4.244 1.00 41.43 O ATOM 592 CB LYS A 36 0.917 13.595 7.373 1.00 41.34 C ATOM 593 CG LYS A 36 -0.470 12.970 7.513 1.00 1.13 C ATOM 594 CD LYS A 36 -1.560 14.033 7.569 1.00 74.42 C ATOM 595 CE LYS A 36 -2.947 13.415 7.601 1.00 55.52 C ATOM 596 NZ LYS A 36 -4.003 14.447 7.742 1.00 65.02 N ATOM 0 H LYS A 36 2.967 14.853 6.816 1.00 24.44 H new ATOM 0 HA LYS A 36 1.619 12.771 5.511 1.00 35.25 H new ATOM 0 HB2 LYS A 36 1.632 12.980 7.919 1.00 41.34 H new ATOM 0 HB3 LYS A 36 0.907 14.574 7.852 1.00 41.34 H new ATOM 0 HG2 LYS A 36 -0.655 12.302 6.672 1.00 1.13 H new ATOM 0 HG3 LYS A 36 -0.507 12.362 8.417 1.00 1.13 H new ATOM 0 HD2 LYS A 36 -1.418 14.654 8.454 1.00 74.42 H new ATOM 0 HD3 LYS A 36 -1.474 14.689 6.702 1.00 74.42 H new ATOM 0 HE2 LYS A 36 -3.113 12.846 6.686 1.00 55.52 H new ATOM 0 HE3 LYS A 36 -3.013 12.711 8.430 1.00 55.52 H new ATOM 0 HZ1 LYS A 36 -4.932 13.985 7.811 1.00 65.02 H new ATOM 0 HZ2 LYS A 36 -3.829 15.006 8.601 1.00 65.02 H new ATOM 0 HZ3 LYS A 36 -3.989 15.074 6.912 1.00 65.02 H new ATOM 610 N GLU A 37 0.191 15.713 5.164 1.00 71.11 N ATOM 611 CA GLU A 37 -0.799 16.448 4.379 1.00 42.24 C ATOM 612 C GLU A 37 -0.491 16.415 2.883 1.00 4.53 C ATOM 613 O GLU A 37 -1.374 16.641 2.054 1.00 70.42 O ATOM 614 CB GLU A 37 -0.909 17.884 4.873 1.00 25.01 C ATOM 615 CG GLU A 37 -1.771 18.028 6.112 1.00 62.15 C ATOM 616 CD GLU A 37 -3.217 17.691 5.832 1.00 25.11 C ATOM 617 OE1 GLU A 37 -3.923 18.545 5.257 1.00 22.22 O ATOM 618 OE2 GLU A 37 -3.653 16.566 6.159 1.00 22.31 O ATOM 0 H GLU A 37 0.734 16.292 5.804 1.00 71.11 H new ATOM 0 HA GLU A 37 -1.758 15.950 4.519 1.00 42.24 H new ATOM 0 HB2 GLU A 37 0.090 18.265 5.087 1.00 25.01 H new ATOM 0 HB3 GLU A 37 -1.322 18.504 4.077 1.00 25.01 H new ATOM 0 HG2 GLU A 37 -1.391 17.374 6.897 1.00 62.15 H new ATOM 0 HG3 GLU A 37 -1.702 19.049 6.486 1.00 62.15 H new ATOM 625 N GLU A 38 0.753 16.134 2.545 1.00 11.04 N ATOM 626 CA GLU A 38 1.162 16.046 1.154 1.00 41.43 C ATOM 627 C GLU A 38 1.055 14.605 0.667 1.00 54.14 C ATOM 628 O GLU A 38 0.559 14.345 -0.431 1.00 74.35 O ATOM 629 CB GLU A 38 2.587 16.573 0.985 1.00 53.22 C ATOM 630 CG GLU A 38 2.731 18.041 1.351 1.00 14.41 C ATOM 631 CD GLU A 38 4.165 18.517 1.333 1.00 30.04 C ATOM 632 OE1 GLU A 38 5.015 17.891 1.997 1.00 64.12 O ATOM 633 OE2 GLU A 38 4.449 19.541 0.680 1.00 35.14 O ATOM 0 H GLU A 38 1.501 15.962 3.217 1.00 11.04 H new ATOM 0 HA GLU A 38 0.498 16.664 0.550 1.00 41.43 H new ATOM 0 HB2 GLU A 38 3.261 15.983 1.606 1.00 53.22 H new ATOM 0 HB3 GLU A 38 2.899 16.431 -0.050 1.00 53.22 H new ATOM 0 HG2 GLU A 38 2.146 18.642 0.655 1.00 14.41 H new ATOM 0 HG3 GLU A 38 2.312 18.205 2.344 1.00 14.41 H new ATOM 640 N ALA A 39 1.503 13.677 1.504 1.00 55.51 N ATOM 641 CA ALA A 39 1.453 12.254 1.196 1.00 24.25 C ATOM 642 C ALA A 39 0.010 11.786 1.030 1.00 62.33 C ATOM 643 O ALA A 39 -0.298 10.992 0.140 1.00 45.22 O ATOM 644 CB ALA A 39 2.138 11.459 2.298 1.00 33.52 C ATOM 0 H ALA A 39 1.911 13.890 2.414 1.00 55.51 H new ATOM 0 HA ALA A 39 1.978 12.086 0.255 1.00 24.25 H new ATOM 0 HB1 ALA A 39 2.096 10.396 2.060 1.00 33.52 H new ATOM 0 HB2 ALA A 39 3.179 11.772 2.379 1.00 33.52 H new ATOM 0 HB3 ALA A 39 1.630 11.639 3.246 1.00 33.52 H new ATOM 650 N LEU A 40 -0.868 12.295 1.890 1.00 11.31 N ATOM 651 CA LEU A 40 -2.285 11.953 1.851 1.00 0.24 C ATOM 652 C LEU A 40 -2.894 12.313 0.502 1.00 54.11 C ATOM 653 O LEU A 40 -3.628 11.522 -0.089 1.00 74.22 O ATOM 654 CB LEU A 40 -3.033 12.678 2.974 1.00 50.15 C ATOM 655 CG LEU A 40 -4.539 12.420 3.056 1.00 24.44 C ATOM 656 CD1 LEU A 40 -4.823 10.955 3.357 1.00 45.21 C ATOM 657 CD2 LEU A 40 -5.172 13.317 4.105 1.00 11.51 C ATOM 0 H LEU A 40 -0.618 12.952 2.629 1.00 11.31 H new ATOM 0 HA LEU A 40 -2.380 10.877 1.994 1.00 0.24 H new ATOM 0 HB2 LEU A 40 -2.584 12.393 3.925 1.00 50.15 H new ATOM 0 HB3 LEU A 40 -2.875 13.750 2.855 1.00 50.15 H new ATOM 0 HG LEU A 40 -4.981 12.655 2.088 1.00 24.44 H new ATOM 0 HD11 LEU A 40 -5.900 10.797 3.410 1.00 45.21 H new ATOM 0 HD12 LEU A 40 -4.404 10.333 2.566 1.00 45.21 H new ATOM 0 HD13 LEU A 40 -4.369 10.685 4.310 1.00 45.21 H new ATOM 0 HD21 LEU A 40 -6.243 13.122 4.152 1.00 11.51 H new ATOM 0 HD22 LEU A 40 -4.723 13.113 5.077 1.00 11.51 H new ATOM 0 HD23 LEU A 40 -5.004 14.361 3.840 1.00 11.51 H new ATOM 669 N GLU A 41 -2.566 13.500 0.011 1.00 24.50 N ATOM 670 CA GLU A 41 -3.081 13.965 -1.265 1.00 55.52 C ATOM 671 C GLU A 41 -2.552 13.125 -2.412 1.00 55.44 C ATOM 672 O GLU A 41 -3.223 12.964 -3.432 1.00 42.04 O ATOM 673 CB GLU A 41 -2.760 15.438 -1.475 1.00 20.14 C ATOM 674 CG GLU A 41 -3.612 16.359 -0.624 1.00 60.24 C ATOM 675 CD GLU A 41 -5.084 16.242 -0.959 1.00 41.03 C ATOM 676 OE1 GLU A 41 -5.756 15.331 -0.427 1.00 21.53 O ATOM 677 OE2 GLU A 41 -5.578 17.056 -1.771 1.00 53.42 O ATOM 0 H GLU A 41 -1.944 14.158 0.480 1.00 24.50 H new ATOM 0 HA GLU A 41 -4.165 13.854 -1.247 1.00 55.52 H new ATOM 0 HB2 GLU A 41 -1.708 15.611 -1.246 1.00 20.14 H new ATOM 0 HB3 GLU A 41 -2.903 15.689 -2.526 1.00 20.14 H new ATOM 0 HG2 GLU A 41 -3.460 16.123 0.429 1.00 60.24 H new ATOM 0 HG3 GLU A 41 -3.288 17.390 -0.769 1.00 60.24 H new ATOM 684 N LEU A 42 -1.350 12.592 -2.247 1.00 73.23 N ATOM 685 CA LEU A 42 -0.780 11.705 -3.243 1.00 53.02 C ATOM 686 C LEU A 42 -1.595 10.427 -3.291 1.00 12.11 C ATOM 687 O LEU A 42 -2.052 10.011 -4.353 1.00 31.41 O ATOM 688 CB LEU A 42 0.686 11.387 -2.921 1.00 62.52 C ATOM 689 CG LEU A 42 1.643 12.581 -2.912 1.00 73.33 C ATOM 690 CD1 LEU A 42 3.049 12.135 -2.551 1.00 4.34 C ATOM 691 CD2 LEU A 42 1.638 13.281 -4.261 1.00 53.43 C ATOM 0 H LEU A 42 -0.755 12.759 -1.436 1.00 73.23 H new ATOM 0 HA LEU A 42 -0.808 12.198 -4.215 1.00 53.02 H new ATOM 0 HB2 LEU A 42 0.727 10.906 -1.944 1.00 62.52 H new ATOM 0 HB3 LEU A 42 1.048 10.661 -3.649 1.00 62.52 H new ATOM 0 HG LEU A 42 1.301 13.288 -2.156 1.00 73.33 H new ATOM 0 HD11 LEU A 42 3.715 12.998 -2.550 1.00 4.34 H new ATOM 0 HD12 LEU A 42 3.043 11.679 -1.561 1.00 4.34 H new ATOM 0 HD13 LEU A 42 3.399 11.407 -3.283 1.00 4.34 H new ATOM 0 HD21 LEU A 42 2.325 14.127 -4.234 1.00 53.43 H new ATOM 0 HD22 LEU A 42 1.954 12.582 -5.035 1.00 53.43 H new ATOM 0 HD23 LEU A 42 0.632 13.637 -4.482 1.00 53.43 H new ATOM 703 N ILE A 43 -1.797 9.829 -2.116 1.00 1.02 N ATOM 704 CA ILE A 43 -2.596 8.614 -1.977 1.00 43.31 C ATOM 705 C ILE A 43 -3.977 8.809 -2.593 1.00 53.44 C ATOM 706 O ILE A 43 -4.401 8.030 -3.450 1.00 20.35 O ATOM 707 CB ILE A 43 -2.750 8.224 -0.482 1.00 31.52 C ATOM 708 CG1 ILE A 43 -1.399 7.801 0.105 1.00 11.24 C ATOM 709 CG2 ILE A 43 -3.789 7.119 -0.300 1.00 72.44 C ATOM 710 CD1 ILE A 43 -0.847 6.519 -0.486 1.00 53.43 C ATOM 0 H ILE A 43 -1.412 10.174 -1.237 1.00 1.02 H new ATOM 0 HA ILE A 43 -2.077 7.812 -2.502 1.00 43.31 H new ATOM 0 HB ILE A 43 -3.103 9.102 0.059 1.00 31.52 H new ATOM 0 HG12 ILE A 43 -0.678 8.603 -0.054 1.00 11.24 H new ATOM 0 HG13 ILE A 43 -1.505 7.677 1.183 1.00 11.24 H new ATOM 0 HG21 ILE A 43 -3.873 6.869 0.758 1.00 72.44 H new ATOM 0 HG22 ILE A 43 -4.755 7.463 -0.669 1.00 72.44 H new ATOM 0 HG23 ILE A 43 -3.481 6.235 -0.858 1.00 72.44 H new ATOM 0 HD11 ILE A 43 0.110 6.286 -0.020 1.00 53.43 H new ATOM 0 HD12 ILE A 43 -1.547 5.704 -0.304 1.00 53.43 H new ATOM 0 HD13 ILE A 43 -0.707 6.644 -1.560 1.00 53.43 H new ATOM 722 N ASN A 44 -4.659 9.866 -2.163 1.00 73.43 N ATOM 723 CA ASN A 44 -5.990 10.191 -2.671 1.00 54.32 C ATOM 724 C ASN A 44 -5.966 10.350 -4.179 1.00 2.13 C ATOM 725 O ASN A 44 -6.835 9.828 -4.881 1.00 51.21 O ATOM 726 CB ASN A 44 -6.519 11.474 -2.023 1.00 64.33 C ATOM 727 CG ASN A 44 -6.839 11.303 -0.553 1.00 73.00 C ATOM 728 OD1 ASN A 44 -7.233 10.223 -0.112 1.00 15.53 O ATOM 729 ND2 ASN A 44 -6.673 12.363 0.216 1.00 74.44 N ATOM 0 H ASN A 44 -4.310 10.517 -1.459 1.00 73.43 H new ATOM 0 HA ASN A 44 -6.656 9.367 -2.415 1.00 54.32 H new ATOM 0 HB2 ASN A 44 -5.779 12.265 -2.139 1.00 64.33 H new ATOM 0 HB3 ASN A 44 -7.417 11.798 -2.550 1.00 64.33 H new ATOM 0 HD21 ASN A 44 -6.873 12.305 1.214 1.00 74.44 H new ATOM 0 HD22 ASN A 44 -6.345 13.240 -0.188 1.00 74.44 H new ATOM 736 N GLY A 45 -4.956 11.057 -4.671 1.00 13.40 N ATOM 737 CA GLY A 45 -4.816 11.275 -6.092 1.00 73.21 C ATOM 738 C GLY A 45 -4.680 9.981 -6.860 1.00 1.33 C ATOM 739 O GLY A 45 -5.375 9.769 -7.858 1.00 64.32 O ATOM 0 H GLY A 45 -4.226 11.486 -4.102 1.00 13.40 H new ATOM 0 HA2 GLY A 45 -5.683 11.824 -6.460 1.00 73.21 H new ATOM 0 HA3 GLY A 45 -3.941 11.899 -6.277 1.00 73.21 H new ATOM 743 N TYR A 46 -3.800 9.101 -6.389 1.00 31.23 N ATOM 744 CA TYR A 46 -3.585 7.817 -7.045 1.00 44.14 C ATOM 745 C TYR A 46 -4.861 6.995 -7.045 1.00 45.32 C ATOM 746 O TYR A 46 -5.213 6.395 -8.057 1.00 45.20 O ATOM 747 CB TYR A 46 -2.428 7.042 -6.393 1.00 3.11 C ATOM 748 CG TYR A 46 -1.111 7.789 -6.432 1.00 24.13 C ATOM 749 CD1 TYR A 46 -0.722 8.486 -7.570 1.00 43.01 C ATOM 750 CD2 TYR A 46 -0.266 7.814 -5.329 1.00 34.43 C ATOM 751 CE1 TYR A 46 0.463 9.186 -7.608 1.00 43.13 C ATOM 752 CE2 TYR A 46 0.928 8.511 -5.362 1.00 63.42 C ATOM 753 CZ TYR A 46 1.284 9.197 -6.505 1.00 62.32 C ATOM 754 OH TYR A 46 2.459 9.909 -6.542 1.00 30.34 O ATOM 0 H TYR A 46 -3.227 9.254 -5.559 1.00 31.23 H new ATOM 0 HA TYR A 46 -3.306 8.012 -8.080 1.00 44.14 H new ATOM 0 HB2 TYR A 46 -2.684 6.824 -5.356 1.00 3.11 H new ATOM 0 HB3 TYR A 46 -2.310 6.084 -6.900 1.00 3.11 H new ATOM 0 HD1 TYR A 46 -1.361 8.478 -8.441 1.00 43.01 H new ATOM 0 HD2 TYR A 46 -0.546 7.281 -4.432 1.00 34.43 H new ATOM 0 HE1 TYR A 46 0.747 9.724 -8.500 1.00 43.13 H new ATOM 0 HE2 TYR A 46 1.577 8.518 -4.499 1.00 63.42 H new ATOM 0 HH TYR A 46 3.175 9.341 -6.895 1.00 30.34 H new ATOM 764 N ILE A 47 -5.569 6.998 -5.917 1.00 40.14 N ATOM 765 CA ILE A 47 -6.839 6.287 -5.806 1.00 13.11 C ATOM 766 C ILE A 47 -7.823 6.784 -6.868 1.00 21.41 C ATOM 767 O ILE A 47 -8.502 5.990 -7.520 1.00 74.20 O ATOM 768 CB ILE A 47 -7.469 6.452 -4.395 1.00 3.41 C ATOM 769 CG1 ILE A 47 -6.579 5.795 -3.333 1.00 64.52 C ATOM 770 CG2 ILE A 47 -8.877 5.859 -4.355 1.00 40.41 C ATOM 771 CD1 ILE A 47 -7.081 5.974 -1.913 1.00 63.12 C ATOM 0 H ILE A 47 -5.284 7.485 -5.068 1.00 40.14 H new ATOM 0 HA ILE A 47 -6.634 5.228 -5.965 1.00 13.11 H new ATOM 0 HB ILE A 47 -7.543 7.517 -4.176 1.00 3.41 H new ATOM 0 HG12 ILE A 47 -6.500 4.729 -3.548 1.00 64.52 H new ATOM 0 HG13 ILE A 47 -5.574 6.211 -3.408 1.00 64.52 H new ATOM 0 HG21 ILE A 47 -9.297 5.986 -3.357 1.00 40.41 H new ATOM 0 HG22 ILE A 47 -9.508 6.370 -5.082 1.00 40.41 H new ATOM 0 HG23 ILE A 47 -8.832 4.797 -4.597 1.00 40.41 H new ATOM 0 HD11 ILE A 47 -6.398 5.481 -1.221 1.00 63.12 H new ATOM 0 HD12 ILE A 47 -7.133 7.037 -1.677 1.00 63.12 H new ATOM 0 HD13 ILE A 47 -8.073 5.533 -1.819 1.00 63.12 H new ATOM 783 N GLN A 48 -7.871 8.100 -7.054 1.00 12.45 N ATOM 784 CA GLN A 48 -8.759 8.702 -8.045 1.00 23.34 C ATOM 785 C GLN A 48 -8.406 8.223 -9.455 1.00 41.53 C ATOM 786 O GLN A 48 -9.288 7.866 -10.242 1.00 52.43 O ATOM 787 CB GLN A 48 -8.700 10.237 -7.979 1.00 43.24 C ATOM 788 CG GLN A 48 -9.096 10.821 -6.629 1.00 34.43 C ATOM 789 CD GLN A 48 -10.441 10.319 -6.136 1.00 73.21 C ATOM 790 OE1 GLN A 48 -11.329 9.993 -6.928 1.00 73.53 O ATOM 791 NE2 GLN A 48 -10.604 10.263 -4.825 1.00 41.42 N ATOM 0 H GLN A 48 -7.306 8.770 -6.532 1.00 12.45 H new ATOM 0 HA GLN A 48 -9.776 8.385 -7.813 1.00 23.34 H new ATOM 0 HB2 GLN A 48 -7.687 10.561 -8.219 1.00 43.24 H new ATOM 0 HB3 GLN A 48 -9.356 10.648 -8.746 1.00 43.24 H new ATOM 0 HG2 GLN A 48 -8.330 10.573 -5.894 1.00 34.43 H new ATOM 0 HG3 GLN A 48 -9.126 11.908 -6.704 1.00 34.43 H new ATOM 0 HE21 GLN A 48 -9.844 10.542 -4.204 1.00 41.42 H new ATOM 0 HE22 GLN A 48 -11.490 9.941 -4.434 1.00 41.42 H new ATOM 800 N LYS A 49 -7.110 8.194 -9.755 1.00 11.42 N ATOM 801 CA LYS A 49 -6.620 7.759 -11.063 1.00 14.30 C ATOM 802 C LYS A 49 -7.004 6.303 -11.331 1.00 74.01 C ATOM 803 O LYS A 49 -7.354 5.933 -12.458 1.00 62.13 O ATOM 804 CB LYS A 49 -5.099 7.920 -11.125 1.00 70.31 C ATOM 805 CG LYS A 49 -4.622 9.353 -10.912 1.00 71.52 C ATOM 806 CD LYS A 49 -3.118 9.418 -10.670 1.00 30.21 C ATOM 807 CE LYS A 49 -2.328 8.935 -11.873 1.00 12.21 C ATOM 808 NZ LYS A 49 -2.504 9.817 -13.048 1.00 61.14 N ATOM 0 H LYS A 49 -6.374 8.469 -9.105 1.00 11.42 H new ATOM 0 HA LYS A 49 -7.081 8.381 -11.830 1.00 14.30 H new ATOM 0 HB2 LYS A 49 -4.644 7.280 -10.369 1.00 70.31 H new ATOM 0 HB3 LYS A 49 -4.745 7.570 -12.095 1.00 70.31 H new ATOM 0 HG2 LYS A 49 -4.876 9.954 -11.785 1.00 71.52 H new ATOM 0 HG3 LYS A 49 -5.146 9.788 -10.061 1.00 71.52 H new ATOM 0 HD2 LYS A 49 -2.832 10.444 -10.436 1.00 30.21 H new ATOM 0 HD3 LYS A 49 -2.864 8.811 -9.801 1.00 30.21 H new ATOM 0 HE2 LYS A 49 -1.270 8.884 -11.614 1.00 12.21 H new ATOM 0 HE3 LYS A 49 -2.643 7.923 -12.130 1.00 12.21 H new ATOM 0 HZ1 LYS A 49 -1.870 9.508 -13.812 1.00 61.14 H new ATOM 0 HZ2 LYS A 49 -3.490 9.767 -13.375 1.00 61.14 H new ATOM 0 HZ3 LYS A 49 -2.276 10.797 -12.784 1.00 61.14 H new ATOM 822 N ILE A 50 -6.943 5.489 -10.289 1.00 13.00 N ATOM 823 CA ILE A 50 -7.282 4.078 -10.387 1.00 60.41 C ATOM 824 C ILE A 50 -8.785 3.889 -10.567 1.00 54.13 C ATOM 825 O ILE A 50 -9.223 3.199 -11.487 1.00 2.32 O ATOM 826 CB ILE A 50 -6.826 3.309 -9.129 1.00 23.33 C ATOM 827 CG1 ILE A 50 -5.324 3.481 -8.924 1.00 45.42 C ATOM 828 CG2 ILE A 50 -7.182 1.828 -9.245 1.00 44.34 C ATOM 829 CD1 ILE A 50 -4.846 3.032 -7.567 1.00 62.03 C ATOM 0 H ILE A 50 -6.658 5.786 -9.356 1.00 13.00 H new ATOM 0 HA ILE A 50 -6.761 3.681 -11.259 1.00 60.41 H new ATOM 0 HB ILE A 50 -7.347 3.719 -8.264 1.00 23.33 H new ATOM 0 HG12 ILE A 50 -4.794 2.917 -9.692 1.00 45.42 H new ATOM 0 HG13 ILE A 50 -5.064 4.531 -9.063 1.00 45.42 H new ATOM 0 HG21 ILE A 50 -6.852 1.303 -8.348 1.00 44.34 H new ATOM 0 HG22 ILE A 50 -8.261 1.721 -9.352 1.00 44.34 H new ATOM 0 HG23 ILE A 50 -6.687 1.402 -10.118 1.00 44.34 H new ATOM 0 HD11 ILE A 50 -3.769 3.183 -7.492 1.00 62.03 H new ATOM 0 HD12 ILE A 50 -5.349 3.613 -6.794 1.00 62.03 H new ATOM 0 HD13 ILE A 50 -5.074 1.975 -7.432 1.00 62.03 H new ATOM 841 N LYS A 51 -9.564 4.527 -9.694 1.00 52.23 N ATOM 842 CA LYS A 51 -11.026 4.421 -9.714 1.00 71.23 C ATOM 843 C LYS A 51 -11.616 4.855 -11.048 1.00 1.11 C ATOM 844 O LYS A 51 -12.604 4.292 -11.509 1.00 11.34 O ATOM 845 CB LYS A 51 -11.637 5.250 -8.580 1.00 41.44 C ATOM 846 CG LYS A 51 -11.424 4.660 -7.192 1.00 61.43 C ATOM 847 CD LYS A 51 -12.168 3.339 -7.021 1.00 1.13 C ATOM 848 CE LYS A 51 -13.676 3.535 -7.113 1.00 63.22 C ATOM 849 NZ LYS A 51 -14.415 2.252 -7.018 1.00 24.02 N ATOM 0 H LYS A 51 -9.203 5.130 -8.955 1.00 52.23 H new ATOM 0 HA LYS A 51 -11.273 3.369 -9.570 1.00 71.23 H new ATOM 0 HB2 LYS A 51 -11.209 6.252 -8.606 1.00 41.44 H new ATOM 0 HB3 LYS A 51 -12.707 5.355 -8.758 1.00 41.44 H new ATOM 0 HG2 LYS A 51 -10.359 4.502 -7.023 1.00 61.43 H new ATOM 0 HG3 LYS A 51 -11.765 5.370 -6.438 1.00 61.43 H new ATOM 0 HD2 LYS A 51 -11.844 2.635 -7.787 1.00 1.13 H new ATOM 0 HD3 LYS A 51 -11.915 2.899 -6.056 1.00 1.13 H new ATOM 0 HE2 LYS A 51 -14.003 4.201 -6.315 1.00 63.22 H new ATOM 0 HE3 LYS A 51 -13.920 4.024 -8.056 1.00 63.22 H new ATOM 0 HZ1 LYS A 51 -15.437 2.434 -7.085 1.00 24.02 H new ATOM 0 HZ2 LYS A 51 -14.123 1.625 -7.795 1.00 24.02 H new ATOM 0 HZ3 LYS A 51 -14.204 1.796 -6.107 1.00 24.02 H new ATOM 863 N SER A 52 -11.006 5.844 -11.667 1.00 41.01 N ATOM 864 CA SER A 52 -11.487 6.357 -12.938 1.00 41.50 C ATOM 865 C SER A 52 -11.188 5.389 -14.089 1.00 1.21 C ATOM 866 O SER A 52 -11.685 5.561 -15.198 1.00 53.40 O ATOM 867 CB SER A 52 -10.858 7.718 -13.216 1.00 2.21 C ATOM 868 OG SER A 52 -11.089 8.605 -12.135 1.00 23.42 O ATOM 0 H SER A 52 -10.173 6.312 -11.311 1.00 41.01 H new ATOM 0 HA SER A 52 -12.570 6.463 -12.871 1.00 41.50 H new ATOM 0 HB2 SER A 52 -9.786 7.603 -13.376 1.00 2.21 H new ATOM 0 HB3 SER A 52 -11.274 8.137 -14.132 1.00 2.21 H new ATOM 0 HG SER A 52 -10.471 8.397 -11.404 1.00 23.42 H new ATOM 874 N GLY A 53 -10.385 4.368 -13.814 1.00 3.41 N ATOM 875 CA GLY A 53 -10.020 3.420 -14.845 1.00 53.22 C ATOM 876 C GLY A 53 -9.006 4.004 -15.800 1.00 13.23 C ATOM 877 O GLY A 53 -8.897 3.578 -16.951 1.00 45.44 O ATOM 0 H GLY A 53 -9.981 4.181 -12.896 1.00 3.41 H new ATOM 0 HA2 GLY A 53 -9.612 2.520 -14.385 1.00 53.22 H new ATOM 0 HA3 GLY A 53 -10.911 3.120 -15.397 1.00 53.22 H new ATOM 881 N GLU A 54 -8.264 4.989 -15.323 1.00 53.52 N ATOM 882 CA GLU A 54 -7.269 5.649 -16.138 1.00 43.13 C ATOM 883 C GLU A 54 -5.950 4.900 -16.093 1.00 12.32 C ATOM 884 O GLU A 54 -5.605 4.180 -17.029 1.00 0.01 O ATOM 885 CB GLU A 54 -7.076 7.095 -15.687 1.00 12.30 C ATOM 886 CG GLU A 54 -8.304 7.964 -15.880 1.00 33.31 C ATOM 887 CD GLU A 54 -8.746 8.021 -17.322 1.00 22.41 C ATOM 888 OE1 GLU A 54 -7.983 8.539 -18.161 1.00 73.32 O ATOM 889 OE2 GLU A 54 -9.853 7.539 -17.629 1.00 62.55 O ATOM 0 H GLU A 54 -8.336 5.348 -14.371 1.00 53.52 H new ATOM 0 HA GLU A 54 -7.625 5.653 -17.168 1.00 43.13 H new ATOM 0 HB2 GLU A 54 -6.798 7.103 -14.633 1.00 12.30 H new ATOM 0 HB3 GLU A 54 -6.243 7.530 -16.240 1.00 12.30 H new ATOM 0 HG2 GLU A 54 -9.119 7.578 -15.268 1.00 33.31 H new ATOM 0 HG3 GLU A 54 -8.091 8.973 -15.528 1.00 33.31 H new ATOM 896 N GLU A 55 -5.225 5.052 -15.003 1.00 43.34 N ATOM 897 CA GLU A 55 -3.946 4.394 -14.864 1.00 23.33 C ATOM 898 C GLU A 55 -4.018 3.289 -13.829 1.00 42.34 C ATOM 899 O GLU A 55 -4.724 3.406 -12.822 1.00 11.22 O ATOM 900 CB GLU A 55 -2.844 5.399 -14.543 1.00 14.20 C ATOM 901 CG GLU A 55 -2.635 6.420 -15.652 1.00 64.01 C ATOM 902 CD GLU A 55 -1.358 7.203 -15.500 1.00 52.31 C ATOM 903 OE1 GLU A 55 -0.308 6.724 -15.970 1.00 63.33 O ATOM 904 OE2 GLU A 55 -1.394 8.306 -14.916 1.00 3.55 O ATOM 0 H GLU A 55 -5.500 5.624 -14.204 1.00 43.34 H new ATOM 0 HA GLU A 55 -3.694 3.933 -15.819 1.00 23.33 H new ATOM 0 HB2 GLU A 55 -3.092 5.920 -13.618 1.00 14.20 H new ATOM 0 HB3 GLU A 55 -1.911 4.864 -14.367 1.00 14.20 H new ATOM 0 HG2 GLU A 55 -2.627 5.907 -16.614 1.00 64.01 H new ATOM 0 HG3 GLU A 55 -3.478 7.111 -15.666 1.00 64.01 H new ATOM 911 N ASP A 56 -3.295 2.223 -14.089 1.00 1.14 N ATOM 912 CA ASP A 56 -3.324 1.032 -13.255 1.00 12.20 C ATOM 913 C ASP A 56 -2.592 1.209 -11.944 1.00 63.15 C ATOM 914 O ASP A 56 -1.569 1.897 -11.868 1.00 1.11 O ATOM 915 CB ASP A 56 -2.733 -0.159 -14.003 1.00 30.22 C ATOM 916 CG ASP A 56 -3.650 -0.689 -15.078 1.00 43.34 C ATOM 917 OD1 ASP A 56 -3.667 -0.113 -16.185 1.00 40.03 O ATOM 918 OD2 ASP A 56 -4.357 -1.698 -14.818 1.00 42.12 O ATOM 0 H ASP A 56 -2.665 2.153 -14.888 1.00 1.14 H new ATOM 0 HA ASP A 56 -4.373 0.849 -13.023 1.00 12.20 H new ATOM 0 HB2 ASP A 56 -1.785 0.135 -14.453 1.00 30.22 H new ATOM 0 HB3 ASP A 56 -2.515 -0.956 -13.293 1.00 30.22 H new ATOM 923 N PHE A 57 -3.116 0.554 -10.919 1.00 31.32 N ATOM 924 CA PHE A 57 -2.525 0.558 -9.594 1.00 74.53 C ATOM 925 C PHE A 57 -1.132 -0.046 -9.649 1.00 53.12 C ATOM 926 O PHE A 57 -0.197 0.467 -9.043 1.00 12.42 O ATOM 927 CB PHE A 57 -3.413 -0.249 -8.633 1.00 13.03 C ATOM 928 CG PHE A 57 -2.829 -0.453 -7.258 1.00 53.13 C ATOM 929 CD1 PHE A 57 -2.988 0.502 -6.273 1.00 61.32 C ATOM 930 CD2 PHE A 57 -2.130 -1.610 -6.952 1.00 54.55 C ATOM 931 CE1 PHE A 57 -2.466 0.313 -5.015 1.00 11.13 C ATOM 932 CE2 PHE A 57 -1.603 -1.801 -5.694 1.00 30.23 C ATOM 933 CZ PHE A 57 -1.773 -0.839 -4.725 1.00 55.42 C ATOM 0 H PHE A 57 -3.970 0.001 -10.986 1.00 31.32 H new ATOM 0 HA PHE A 57 -2.449 1.584 -9.234 1.00 74.53 H new ATOM 0 HB2 PHE A 57 -4.373 0.258 -8.534 1.00 13.03 H new ATOM 0 HB3 PHE A 57 -3.613 -1.224 -9.077 1.00 13.03 H new ATOM 0 HD1 PHE A 57 -3.530 1.410 -6.494 1.00 61.32 H new ATOM 0 HD2 PHE A 57 -1.997 -2.370 -7.708 1.00 54.55 H new ATOM 0 HE1 PHE A 57 -2.600 1.069 -4.255 1.00 11.13 H new ATOM 0 HE2 PHE A 57 -1.057 -2.705 -5.468 1.00 30.23 H new ATOM 0 HZ PHE A 57 -1.362 -0.988 -3.737 1.00 55.42 H new ATOM 943 N GLU A 58 -1.007 -1.129 -10.404 1.00 4.14 N ATOM 944 CA GLU A 58 0.259 -1.832 -10.552 1.00 63.34 C ATOM 945 C GLU A 58 1.315 -0.932 -11.178 1.00 61.03 C ATOM 946 O GLU A 58 2.484 -0.992 -10.821 1.00 55.42 O ATOM 947 CB GLU A 58 0.069 -3.076 -11.413 1.00 3.03 C ATOM 948 CG GLU A 58 -0.972 -4.040 -10.879 1.00 41.44 C ATOM 949 CD GLU A 58 -1.173 -5.223 -11.790 1.00 12.44 C ATOM 950 OE1 GLU A 58 -1.912 -5.091 -12.784 1.00 53.33 O ATOM 951 OE2 GLU A 58 -0.594 -6.292 -11.519 1.00 64.22 O ATOM 0 H GLU A 58 -1.777 -1.543 -10.929 1.00 4.14 H new ATOM 0 HA GLU A 58 0.600 -2.125 -9.559 1.00 63.34 H new ATOM 0 HB2 GLU A 58 -0.217 -2.769 -12.419 1.00 3.03 H new ATOM 0 HB3 GLU A 58 1.023 -3.597 -11.497 1.00 3.03 H new ATOM 0 HG2 GLU A 58 -0.668 -4.391 -9.893 1.00 41.44 H new ATOM 0 HG3 GLU A 58 -1.919 -3.516 -10.753 1.00 41.44 H new ATOM 958 N SER A 59 0.891 -0.091 -12.106 1.00 1.32 N ATOM 959 CA SER A 59 1.804 0.805 -12.785 1.00 34.42 C ATOM 960 C SER A 59 2.212 1.952 -11.857 1.00 34.35 C ATOM 961 O SER A 59 3.367 2.392 -11.858 1.00 62.23 O ATOM 962 CB SER A 59 1.159 1.344 -14.068 1.00 1.52 C ATOM 963 OG SER A 59 2.098 2.042 -14.868 1.00 55.31 O ATOM 0 H SER A 59 -0.081 -0.012 -12.405 1.00 1.32 H new ATOM 0 HA SER A 59 2.703 0.253 -13.058 1.00 34.42 H new ATOM 0 HB2 SER A 59 0.736 0.517 -14.639 1.00 1.52 H new ATOM 0 HB3 SER A 59 0.334 2.008 -13.810 1.00 1.52 H new ATOM 0 HG SER A 59 1.656 2.371 -15.678 1.00 55.31 H new ATOM 969 N LEU A 60 1.265 2.419 -11.054 1.00 33.42 N ATOM 970 CA LEU A 60 1.524 3.501 -10.118 1.00 40.11 C ATOM 971 C LEU A 60 2.399 3.026 -8.962 1.00 3.11 C ATOM 972 O LEU A 60 3.383 3.672 -8.620 1.00 60.21 O ATOM 973 CB LEU A 60 0.210 4.082 -9.584 1.00 4.43 C ATOM 974 CG LEU A 60 -0.721 4.703 -10.631 1.00 11.10 C ATOM 975 CD1 LEU A 60 -1.999 5.203 -9.979 1.00 71.32 C ATOM 976 CD2 LEU A 60 -0.021 5.836 -11.371 1.00 21.24 C ATOM 0 H LEU A 60 0.309 2.063 -11.033 1.00 33.42 H new ATOM 0 HA LEU A 60 2.059 4.285 -10.654 1.00 40.11 H new ATOM 0 HB2 LEU A 60 -0.332 3.290 -9.068 1.00 4.43 H new ATOM 0 HB3 LEU A 60 0.447 4.842 -8.840 1.00 4.43 H new ATOM 0 HG LEU A 60 -0.982 3.931 -11.355 1.00 11.10 H new ATOM 0 HD11 LEU A 60 -2.648 5.641 -10.738 1.00 71.32 H new ATOM 0 HD12 LEU A 60 -2.513 4.370 -9.499 1.00 71.32 H new ATOM 0 HD13 LEU A 60 -1.755 5.958 -9.231 1.00 71.32 H new ATOM 0 HD21 LEU A 60 -0.700 6.262 -12.109 1.00 21.24 H new ATOM 0 HD22 LEU A 60 0.273 6.608 -10.660 1.00 21.24 H new ATOM 0 HD23 LEU A 60 0.865 5.449 -11.874 1.00 21.24 H new ATOM 988 N ALA A 61 2.051 1.877 -8.389 1.00 63.32 N ATOM 989 CA ALA A 61 2.788 1.316 -7.250 1.00 52.51 C ATOM 990 C ALA A 61 4.155 0.781 -7.666 1.00 11.40 C ATOM 991 O ALA A 61 4.980 0.448 -6.823 1.00 74.04 O ATOM 992 CB ALA A 61 1.973 0.221 -6.576 1.00 41.14 C ATOM 0 H ALA A 61 1.260 1.310 -8.694 1.00 63.32 H new ATOM 0 HA ALA A 61 2.954 2.124 -6.538 1.00 52.51 H new ATOM 0 HB1 ALA A 61 2.534 -0.184 -5.734 1.00 41.14 H new ATOM 0 HB2 ALA A 61 1.031 0.637 -6.218 1.00 41.14 H new ATOM 0 HB3 ALA A 61 1.770 -0.575 -7.293 1.00 41.14 H new ATOM 998 N SER A 62 4.382 0.691 -8.959 1.00 2.43 N ATOM 999 CA SER A 62 5.661 0.246 -9.474 1.00 54.22 C ATOM 1000 C SER A 62 6.650 1.409 -9.449 1.00 75.01 C ATOM 1001 O SER A 62 7.866 1.223 -9.524 1.00 51.42 O ATOM 1002 CB SER A 62 5.492 -0.278 -10.904 1.00 33.01 C ATOM 1003 OG SER A 62 6.668 -0.918 -11.376 1.00 5.23 O ATOM 0 H SER A 62 3.694 0.921 -9.676 1.00 2.43 H new ATOM 0 HA SER A 62 6.045 -0.561 -8.850 1.00 54.22 H new ATOM 0 HB2 SER A 62 4.659 -0.980 -10.937 1.00 33.01 H new ATOM 0 HB3 SER A 62 5.238 0.550 -11.566 1.00 33.01 H new ATOM 0 HG SER A 62 7.138 -1.335 -10.624 1.00 5.23 H new ATOM 1009 N GLN A 63 6.109 2.610 -9.349 1.00 62.12 N ATOM 1010 CA GLN A 63 6.908 3.817 -9.326 1.00 53.11 C ATOM 1011 C GLN A 63 6.777 4.526 -7.984 1.00 23.35 C ATOM 1012 O GLN A 63 7.756 4.711 -7.264 1.00 41.05 O ATOM 1013 CB GLN A 63 6.470 4.744 -10.455 1.00 1.45 C ATOM 1014 CG GLN A 63 6.650 4.146 -11.839 1.00 20.02 C ATOM 1015 CD GLN A 63 5.942 4.940 -12.909 1.00 4.13 C ATOM 1016 OE1 GLN A 63 6.504 5.874 -13.483 1.00 63.33 O ATOM 1017 NE2 GLN A 63 4.710 4.568 -13.195 1.00 71.54 N ATOM 0 H GLN A 63 5.104 2.774 -9.282 1.00 62.12 H new ATOM 0 HA GLN A 63 7.954 3.546 -9.467 1.00 53.11 H new ATOM 0 HB2 GLN A 63 5.421 5.003 -10.314 1.00 1.45 H new ATOM 0 HB3 GLN A 63 7.039 5.672 -10.393 1.00 1.45 H new ATOM 0 HG2 GLN A 63 7.713 4.094 -12.073 1.00 20.02 H new ATOM 0 HG3 GLN A 63 6.273 3.123 -11.841 1.00 20.02 H new ATOM 0 HE21 GLN A 63 4.283 3.788 -12.694 1.00 71.54 H new ATOM 0 HE22 GLN A 63 4.183 5.060 -13.917 1.00 71.54 H new ATOM 1026 N PHE A 64 5.555 4.901 -7.647 1.00 23.41 N ATOM 1027 CA PHE A 64 5.285 5.629 -6.424 1.00 34.24 C ATOM 1028 C PHE A 64 4.876 4.685 -5.306 1.00 44.23 C ATOM 1029 O PHE A 64 3.692 4.510 -5.025 1.00 11.44 O ATOM 1030 CB PHE A 64 4.195 6.680 -6.650 1.00 14.02 C ATOM 1031 CG PHE A 64 4.498 7.643 -7.763 1.00 61.41 C ATOM 1032 CD1 PHE A 64 5.322 8.735 -7.547 1.00 3.30 C ATOM 1033 CD2 PHE A 64 3.954 7.458 -9.026 1.00 0.20 C ATOM 1034 CE1 PHE A 64 5.597 9.624 -8.567 1.00 0.23 C ATOM 1035 CE2 PHE A 64 4.226 8.343 -10.049 1.00 61.11 C ATOM 1036 CZ PHE A 64 5.049 9.428 -9.820 1.00 73.01 C ATOM 0 H PHE A 64 4.727 4.710 -8.212 1.00 23.41 H new ATOM 0 HA PHE A 64 6.204 6.135 -6.128 1.00 34.24 H new ATOM 0 HB2 PHE A 64 3.255 6.173 -6.867 1.00 14.02 H new ATOM 0 HB3 PHE A 64 4.048 7.241 -5.727 1.00 14.02 H new ATOM 0 HD1 PHE A 64 5.754 8.893 -6.570 1.00 3.30 H new ATOM 0 HD2 PHE A 64 3.310 6.611 -9.211 1.00 0.20 H new ATOM 0 HE1 PHE A 64 6.240 10.472 -8.385 1.00 0.23 H new ATOM 0 HE2 PHE A 64 3.796 8.187 -11.027 1.00 61.11 H new ATOM 0 HZ PHE A 64 5.264 10.122 -10.619 1.00 73.01 H new ATOM 1046 N SER A 65 5.855 4.051 -4.710 1.00 12.24 N ATOM 1047 CA SER A 65 5.631 3.161 -3.598 1.00 1.44 C ATOM 1048 C SER A 65 6.935 2.979 -2.837 1.00 14.55 C ATOM 1049 O SER A 65 7.896 2.431 -3.368 1.00 71.00 O ATOM 1050 CB SER A 65 5.096 1.813 -4.091 1.00 63.11 C ATOM 1051 OG SER A 65 4.625 1.011 -3.016 1.00 63.24 O ATOM 0 H SER A 65 6.834 4.138 -4.984 1.00 12.24 H new ATOM 0 HA SER A 65 4.884 3.591 -2.931 1.00 1.44 H new ATOM 0 HB2 SER A 65 4.287 1.980 -4.802 1.00 63.11 H new ATOM 0 HB3 SER A 65 5.884 1.281 -4.624 1.00 63.11 H new ATOM 0 HG SER A 65 5.321 0.372 -2.755 1.00 63.24 H new ATOM 1057 N ASP A 66 6.961 3.442 -1.598 1.00 74.31 N ATOM 1058 CA ASP A 66 8.169 3.404 -0.761 1.00 50.42 C ATOM 1059 C ASP A 66 8.446 2.009 -0.202 1.00 65.40 C ATOM 1060 O ASP A 66 9.021 1.871 0.878 1.00 32.25 O ATOM 1061 CB ASP A 66 8.048 4.394 0.404 1.00 63.41 C ATOM 1062 CG ASP A 66 7.822 5.821 -0.042 1.00 62.12 C ATOM 1063 OD1 ASP A 66 8.553 6.296 -0.930 1.00 63.35 O ATOM 1064 OD2 ASP A 66 6.909 6.473 0.501 1.00 20.22 O ATOM 0 H ASP A 66 6.151 3.856 -1.136 1.00 74.31 H new ATOM 0 HA ASP A 66 9.002 3.684 -1.405 1.00 50.42 H new ATOM 0 HB2 ASP A 66 7.223 4.087 1.048 1.00 63.41 H new ATOM 0 HB3 ASP A 66 8.956 4.349 1.006 1.00 63.41 H new ATOM 1069 N CYS A 67 8.061 0.986 -0.929 1.00 22.23 N ATOM 1070 CA CYS A 67 8.296 -0.371 -0.490 1.00 72.41 C ATOM 1071 C CYS A 67 9.033 -1.155 -1.565 1.00 24.23 C ATOM 1072 O CYS A 67 8.969 -0.814 -2.749 1.00 54.10 O ATOM 1073 CB CYS A 67 6.977 -1.064 -0.120 1.00 62.14 C ATOM 1074 SG CYS A 67 5.784 -1.196 -1.474 1.00 3.25 S ATOM 0 H CYS A 67 7.584 1.067 -1.827 1.00 22.23 H new ATOM 0 HA CYS A 67 8.920 -0.338 0.403 1.00 72.41 H new ATOM 0 HB2 CYS A 67 7.200 -2.065 0.248 1.00 62.14 H new ATOM 0 HB3 CYS A 67 6.514 -0.518 0.702 1.00 62.14 H new ATOM 0 HG CYS A 67 4.987 -2.199 -1.254 1.00 3.25 H new ATOM 1080 N SER A 68 9.725 -2.204 -1.153 1.00 23.20 N ATOM 1081 CA SER A 68 10.485 -3.048 -2.067 1.00 72.24 C ATOM 1082 C SER A 68 9.561 -3.750 -3.066 1.00 42.23 C ATOM 1083 O SER A 68 9.997 -4.207 -4.129 1.00 14.24 O ATOM 1084 CB SER A 68 11.282 -4.077 -1.265 1.00 41.54 C ATOM 1085 OG SER A 68 10.450 -4.719 -0.304 1.00 44.52 O ATOM 0 H SER A 68 9.777 -2.496 -0.177 1.00 23.20 H new ATOM 0 HA SER A 68 11.171 -2.420 -2.635 1.00 72.24 H new ATOM 0 HB2 SER A 68 11.708 -4.820 -1.939 1.00 41.54 H new ATOM 0 HB3 SER A 68 12.116 -3.587 -0.762 1.00 41.54 H new ATOM 0 HG SER A 68 10.977 -5.375 0.198 1.00 44.52 H new ATOM 1091 N SER A 69 8.282 -3.810 -2.728 1.00 31.43 N ATOM 1092 CA SER A 69 7.294 -4.449 -3.566 1.00 44.15 C ATOM 1093 C SER A 69 7.060 -3.657 -4.847 1.00 12.11 C ATOM 1094 O SER A 69 6.418 -4.144 -5.770 1.00 4.44 O ATOM 1095 CB SER A 69 5.995 -4.593 -2.804 1.00 2.54 C ATOM 1096 OG SER A 69 6.239 -5.064 -1.489 1.00 62.10 O ATOM 0 H SER A 69 7.906 -3.416 -1.866 1.00 31.43 H new ATOM 0 HA SER A 69 7.667 -5.435 -3.843 1.00 44.15 H new ATOM 0 HB2 SER A 69 5.482 -3.632 -2.763 1.00 2.54 H new ATOM 0 HB3 SER A 69 5.335 -5.284 -3.327 1.00 2.54 H new ATOM 0 HG SER A 69 5.623 -4.626 -0.865 1.00 62.10 H new ATOM 1102 N ALA A 70 7.590 -2.434 -4.899 1.00 22.21 N ATOM 1103 CA ALA A 70 7.463 -1.594 -6.082 1.00 55.13 C ATOM 1104 C ALA A 70 8.103 -2.272 -7.286 1.00 53.21 C ATOM 1105 O ALA A 70 7.695 -2.063 -8.422 1.00 13.44 O ATOM 1106 CB ALA A 70 8.099 -0.237 -5.839 1.00 64.33 C ATOM 0 H ALA A 70 8.111 -2.007 -4.133 1.00 22.21 H new ATOM 0 HA ALA A 70 6.403 -1.447 -6.290 1.00 55.13 H new ATOM 0 HB1 ALA A 70 7.996 0.379 -6.733 1.00 64.33 H new ATOM 0 HB2 ALA A 70 7.602 0.253 -5.001 1.00 64.33 H new ATOM 0 HB3 ALA A 70 9.156 -0.367 -5.608 1.00 64.33 H new ATOM 1112 N LYS A 71 9.100 -3.109 -7.020 1.00 63.51 N ATOM 1113 CA LYS A 71 9.785 -3.853 -8.071 1.00 2.35 C ATOM 1114 C LYS A 71 8.880 -4.957 -8.617 1.00 50.14 C ATOM 1115 O LYS A 71 9.102 -5.488 -9.708 1.00 12.33 O ATOM 1116 CB LYS A 71 11.084 -4.457 -7.533 1.00 24.44 C ATOM 1117 CG LYS A 71 12.056 -3.431 -6.954 1.00 23.33 C ATOM 1118 CD LYS A 71 12.491 -2.402 -7.995 1.00 71.03 C ATOM 1119 CE LYS A 71 13.196 -3.057 -9.175 1.00 4.40 C ATOM 1120 NZ LYS A 71 14.413 -3.801 -8.756 1.00 15.14 N ATOM 0 H LYS A 71 9.453 -3.290 -6.080 1.00 63.51 H new ATOM 0 HA LYS A 71 10.026 -3.165 -8.881 1.00 2.35 H new ATOM 0 HB2 LYS A 71 10.840 -5.187 -6.761 1.00 24.44 H new ATOM 0 HB3 LYS A 71 11.581 -4.999 -8.338 1.00 24.44 H new ATOM 0 HG2 LYS A 71 11.585 -2.920 -6.114 1.00 23.33 H new ATOM 0 HG3 LYS A 71 12.934 -3.944 -6.563 1.00 23.33 H new ATOM 0 HD2 LYS A 71 11.619 -1.854 -8.351 1.00 71.03 H new ATOM 0 HD3 LYS A 71 13.157 -1.675 -7.531 1.00 71.03 H new ATOM 0 HE2 LYS A 71 12.508 -3.739 -9.674 1.00 4.40 H new ATOM 0 HE3 LYS A 71 13.471 -2.293 -9.902 1.00 4.40 H new ATOM 0 HZ1 LYS A 71 14.961 -4.072 -9.597 1.00 15.14 H new ATOM 0 HZ2 LYS A 71 14.996 -3.196 -8.143 1.00 15.14 H new ATOM 0 HZ3 LYS A 71 14.134 -4.657 -8.234 1.00 15.14 H new ATOM 1134 N ALA A 72 7.859 -5.292 -7.848 1.00 61.44 N ATOM 1135 CA ALA A 72 6.893 -6.302 -8.234 1.00 41.41 C ATOM 1136 C ALA A 72 5.554 -5.646 -8.546 1.00 42.10 C ATOM 1137 O ALA A 72 4.524 -6.318 -8.633 1.00 43.33 O ATOM 1138 CB ALA A 72 6.740 -7.333 -7.126 1.00 41.41 C ATOM 0 H ALA A 72 7.677 -4.870 -6.937 1.00 61.44 H new ATOM 0 HA ALA A 72 7.248 -6.812 -9.130 1.00 41.41 H new ATOM 0 HB1 ALA A 72 6.012 -8.086 -7.428 1.00 41.41 H new ATOM 0 HB2 ALA A 72 7.701 -7.812 -6.939 1.00 41.41 H new ATOM 0 HB3 ALA A 72 6.397 -6.841 -6.216 1.00 41.41 H new ATOM 1144 N ARG A 73 5.592 -4.315 -8.705 1.00 75.24 N ATOM 1145 CA ARG A 73 4.411 -3.502 -9.029 1.00 43.13 C ATOM 1146 C ARG A 73 3.402 -3.471 -7.883 1.00 23.21 C ATOM 1147 O ARG A 73 2.218 -3.214 -8.089 1.00 74.21 O ATOM 1148 CB ARG A 73 3.756 -3.979 -10.327 1.00 64.24 C ATOM 1149 CG ARG A 73 4.652 -3.824 -11.541 1.00 21.11 C ATOM 1150 CD ARG A 73 3.928 -4.170 -12.821 1.00 55.11 C ATOM 1151 NE ARG A 73 4.735 -3.850 -13.996 1.00 35.53 N ATOM 1152 CZ ARG A 73 4.257 -3.741 -15.234 1.00 2.15 C ATOM 1153 NH1 ARG A 73 2.968 -3.947 -15.471 1.00 5.53 N ATOM 1154 NH2 ARG A 73 5.072 -3.428 -16.234 1.00 25.11 N ATOM 0 H ARG A 73 6.449 -3.769 -8.612 1.00 75.24 H new ATOM 0 HA ARG A 73 4.757 -2.479 -9.177 1.00 43.13 H new ATOM 0 HB2 ARG A 73 3.476 -5.027 -10.221 1.00 64.24 H new ATOM 0 HB3 ARG A 73 2.835 -3.418 -10.489 1.00 64.24 H new ATOM 0 HG2 ARG A 73 5.016 -2.798 -11.595 1.00 21.11 H new ATOM 0 HG3 ARG A 73 5.526 -4.467 -11.432 1.00 21.11 H new ATOM 0 HD2 ARG A 73 3.682 -5.232 -12.825 1.00 55.11 H new ATOM 0 HD3 ARG A 73 2.985 -3.624 -12.866 1.00 55.11 H new ATOM 0 HE ARG A 73 5.734 -3.700 -13.858 1.00 35.53 H new ATOM 0 HH11 ARG A 73 2.341 -4.189 -14.704 1.00 5.53 H new ATOM 0 HH12 ARG A 73 2.604 -3.863 -16.420 1.00 5.53 H new ATOM 0 HH21 ARG A 73 6.064 -3.271 -16.054 1.00 25.11 H new ATOM 0 HH22 ARG A 73 4.707 -3.344 -17.183 1.00 25.11 H new ATOM 1168 N GLY A 74 3.883 -3.716 -6.677 1.00 12.41 N ATOM 1169 CA GLY A 74 3.029 -3.678 -5.513 1.00 41.03 C ATOM 1170 C GLY A 74 2.606 -5.055 -5.059 1.00 21.14 C ATOM 1171 O GLY A 74 2.295 -5.256 -3.886 1.00 72.31 O ATOM 0 H GLY A 74 4.858 -3.942 -6.483 1.00 12.41 H new ATOM 0 HA2 GLY A 74 3.552 -3.176 -4.699 1.00 41.03 H new ATOM 0 HA3 GLY A 74 2.142 -3.085 -5.736 1.00 41.03 H new ATOM 1175 N ASP A 75 2.602 -5.995 -5.984 1.00 74.24 N ATOM 1176 CA ASP A 75 2.188 -7.371 -5.707 1.00 21.15 C ATOM 1177 C ASP A 75 3.102 -8.053 -4.685 1.00 34.40 C ATOM 1178 O ASP A 75 4.331 -8.050 -4.822 1.00 21.45 O ATOM 1179 CB ASP A 75 2.136 -8.169 -7.010 1.00 31.20 C ATOM 1180 CG ASP A 75 2.005 -9.665 -6.802 1.00 33.04 C ATOM 1181 OD1 ASP A 75 1.122 -10.097 -6.031 1.00 42.12 O ATOM 1182 OD2 ASP A 75 2.787 -10.417 -7.422 1.00 53.51 O ATOM 0 H ASP A 75 2.884 -5.834 -6.951 1.00 74.24 H new ATOM 0 HA ASP A 75 1.192 -7.339 -5.266 1.00 21.15 H new ATOM 0 HB2 ASP A 75 1.294 -7.819 -7.607 1.00 31.20 H new ATOM 0 HB3 ASP A 75 3.040 -7.969 -7.585 1.00 31.20 H new ATOM 1187 N LEU A 76 2.485 -8.618 -3.654 1.00 60.34 N ATOM 1188 CA LEU A 76 3.201 -9.314 -2.588 1.00 54.13 C ATOM 1189 C LEU A 76 3.073 -10.818 -2.734 1.00 5.33 C ATOM 1190 O LEU A 76 3.680 -11.579 -1.968 1.00 34.22 O ATOM 1191 CB LEU A 76 2.635 -8.911 -1.227 1.00 54.21 C ATOM 1192 CG LEU A 76 2.976 -7.513 -0.739 1.00 21.35 C ATOM 1193 CD1 LEU A 76 2.109 -7.152 0.455 1.00 53.14 C ATOM 1194 CD2 LEU A 76 4.448 -7.435 -0.365 1.00 3.41 C ATOM 0 H LEU A 76 1.472 -8.607 -3.532 1.00 60.34 H new ATOM 0 HA LEU A 76 4.252 -9.034 -2.660 1.00 54.13 H new ATOM 0 HB2 LEU A 76 1.550 -9.003 -1.268 1.00 54.21 H new ATOM 0 HB3 LEU A 76 2.988 -9.627 -0.485 1.00 54.21 H new ATOM 0 HG LEU A 76 2.781 -6.801 -1.541 1.00 21.35 H new ATOM 0 HD11 LEU A 76 2.361 -6.148 0.797 1.00 53.14 H new ATOM 0 HD12 LEU A 76 1.059 -7.183 0.165 1.00 53.14 H new ATOM 0 HD13 LEU A 76 2.284 -7.865 1.261 1.00 53.14 H new ATOM 0 HD21 LEU A 76 4.682 -6.429 -0.017 1.00 3.41 H new ATOM 0 HD22 LEU A 76 4.660 -8.152 0.428 1.00 3.41 H new ATOM 0 HD23 LEU A 76 5.058 -7.668 -1.238 1.00 3.41 H new ATOM 1206 N GLY A 77 2.289 -11.248 -3.702 1.00 60.34 N ATOM 1207 CA GLY A 77 2.038 -12.656 -3.860 1.00 32.15 C ATOM 1208 C GLY A 77 1.028 -13.139 -2.838 1.00 54.21 C ATOM 1209 O GLY A 77 0.447 -12.333 -2.105 1.00 74.42 O ATOM 0 H GLY A 77 1.822 -10.647 -4.381 1.00 60.34 H new ATOM 0 HA2 GLY A 77 1.668 -12.854 -4.866 1.00 32.15 H new ATOM 0 HA3 GLY A 77 2.969 -13.211 -3.748 1.00 32.15 H new ATOM 1213 N ALA A 78 0.799 -14.431 -2.792 1.00 24.51 N ATOM 1214 CA ALA A 78 -0.135 -14.994 -1.838 1.00 32.32 C ATOM 1215 C ALA A 78 0.541 -15.192 -0.490 1.00 73.24 C ATOM 1216 O ALA A 78 1.476 -15.990 -0.362 1.00 3.40 O ATOM 1217 CB ALA A 78 -0.704 -16.307 -2.358 1.00 31.23 C ATOM 0 H ALA A 78 1.246 -15.114 -3.403 1.00 24.51 H new ATOM 0 HA ALA A 78 -0.962 -14.296 -1.707 1.00 32.32 H new ATOM 0 HB1 ALA A 78 -1.403 -16.715 -1.628 1.00 31.23 H new ATOM 0 HB2 ALA A 78 -1.224 -16.131 -3.300 1.00 31.23 H new ATOM 0 HB3 ALA A 78 0.107 -17.017 -2.519 1.00 31.23 H new ATOM 1223 N PHE A 79 0.083 -14.457 0.504 1.00 71.35 N ATOM 1224 CA PHE A 79 0.647 -14.540 1.839 1.00 72.23 C ATOM 1225 C PHE A 79 -0.433 -14.854 2.865 1.00 3.53 C ATOM 1226 O PHE A 79 -1.628 -14.772 2.570 1.00 52.41 O ATOM 1227 CB PHE A 79 1.384 -13.236 2.206 1.00 71.34 C ATOM 1228 CG PHE A 79 0.522 -11.996 2.174 1.00 34.53 C ATOM 1229 CD1 PHE A 79 0.354 -11.282 0.998 1.00 30.43 C ATOM 1230 CD2 PHE A 79 -0.113 -11.545 3.322 1.00 65.52 C ATOM 1231 CE1 PHE A 79 -0.430 -10.145 0.966 1.00 54.20 C ATOM 1232 CE2 PHE A 79 -0.898 -10.407 3.296 1.00 50.31 C ATOM 1233 CZ PHE A 79 -1.056 -9.707 2.116 1.00 61.32 C ATOM 0 H PHE A 79 -0.684 -13.791 0.412 1.00 71.35 H new ATOM 0 HA PHE A 79 1.372 -15.354 1.848 1.00 72.23 H new ATOM 0 HB2 PHE A 79 1.808 -13.342 3.205 1.00 71.34 H new ATOM 0 HB3 PHE A 79 2.219 -13.100 1.518 1.00 71.34 H new ATOM 0 HD1 PHE A 79 0.842 -11.619 0.095 1.00 30.43 H new ATOM 0 HD2 PHE A 79 0.007 -12.089 4.247 1.00 65.52 H new ATOM 0 HE1 PHE A 79 -0.553 -9.599 0.042 1.00 54.20 H new ATOM 0 HE2 PHE A 79 -1.387 -10.066 4.197 1.00 50.31 H new ATOM 0 HZ PHE A 79 -1.669 -8.818 2.093 1.00 61.32 H new ATOM 1243 N SER A 80 -0.009 -15.209 4.057 1.00 72.43 N ATOM 1244 CA SER A 80 -0.917 -15.547 5.126 1.00 42.15 C ATOM 1245 C SER A 80 -0.758 -14.541 6.266 1.00 12.32 C ATOM 1246 O SER A 80 0.060 -13.621 6.176 1.00 62.11 O ATOM 1247 CB SER A 80 -0.633 -16.973 5.617 1.00 3.42 C ATOM 1248 OG SER A 80 -1.672 -17.455 6.459 1.00 63.32 O ATOM 0 H SER A 80 0.977 -15.271 4.311 1.00 72.43 H new ATOM 0 HA SER A 80 -1.944 -15.506 4.763 1.00 42.15 H new ATOM 0 HB2 SER A 80 -0.521 -17.637 4.760 1.00 3.42 H new ATOM 0 HB3 SER A 80 0.312 -16.990 6.159 1.00 3.42 H new ATOM 0 HG SER A 80 -1.460 -18.366 6.752 1.00 63.32 H new ATOM 1254 N ARG A 81 -1.540 -14.710 7.326 1.00 45.42 N ATOM 1255 CA ARG A 81 -1.471 -13.812 8.467 1.00 50.51 C ATOM 1256 C ARG A 81 -0.212 -14.064 9.282 1.00 71.55 C ATOM 1257 O ARG A 81 0.292 -15.191 9.340 1.00 33.45 O ATOM 1258 CB ARG A 81 -2.718 -13.931 9.356 1.00 63.33 C ATOM 1259 CG ARG A 81 -3.983 -13.381 8.716 1.00 64.12 C ATOM 1260 CD ARG A 81 -5.131 -13.282 9.715 1.00 45.14 C ATOM 1261 NE ARG A 81 -5.547 -14.591 10.230 1.00 12.24 N ATOM 1262 CZ ARG A 81 -6.582 -14.780 11.061 1.00 12.54 C ATOM 1263 NH1 ARG A 81 -7.309 -13.745 11.475 1.00 54.02 N ATOM 1264 NH2 ARG A 81 -6.888 -16.005 11.476 1.00 2.45 N ATOM 0 H ARG A 81 -2.226 -15.459 7.417 1.00 45.42 H new ATOM 0 HA ARG A 81 -1.434 -12.795 8.077 1.00 50.51 H new ATOM 0 HB2 ARG A 81 -2.875 -14.980 9.606 1.00 63.33 H new ATOM 0 HB3 ARG A 81 -2.537 -13.403 10.292 1.00 63.33 H new ATOM 0 HG2 ARG A 81 -3.779 -12.395 8.299 1.00 64.12 H new ATOM 0 HG3 ARG A 81 -4.279 -14.023 7.886 1.00 64.12 H new ATOM 0 HD2 ARG A 81 -4.829 -12.648 10.548 1.00 45.14 H new ATOM 0 HD3 ARG A 81 -5.982 -12.797 9.237 1.00 45.14 H new ATOM 0 HE ARG A 81 -5.015 -15.410 9.937 1.00 12.24 H new ATOM 0 HH11 ARG A 81 -7.080 -12.802 11.160 1.00 54.02 H new ATOM 0 HH12 ARG A 81 -8.095 -13.894 12.107 1.00 54.02 H new ATOM 0 HH21 ARG A 81 -6.335 -16.803 11.162 1.00 2.45 H new ATOM 0 HH22 ARG A 81 -7.676 -16.147 12.108 1.00 2.45 H new ATOM 1278 N GLY A 82 0.290 -13.014 9.901 1.00 14.34 N ATOM 1279 CA GLY A 82 1.491 -13.108 10.688 1.00 22.14 C ATOM 1280 C GLY A 82 2.717 -12.817 9.859 1.00 1.32 C ATOM 1281 O GLY A 82 3.790 -13.372 10.107 1.00 30.43 O ATOM 0 H GLY A 82 -0.123 -12.082 9.870 1.00 14.34 H new ATOM 0 HA2 GLY A 82 1.438 -12.406 11.520 1.00 22.14 H new ATOM 0 HA3 GLY A 82 1.569 -14.107 11.117 1.00 22.14 H new ATOM 1285 N GLN A 83 2.568 -11.949 8.866 1.00 75.25 N ATOM 1286 CA GLN A 83 3.667 -11.633 7.977 1.00 42.15 C ATOM 1287 C GLN A 83 3.792 -10.125 7.728 1.00 12.52 C ATOM 1288 O GLN A 83 4.901 -9.593 7.654 1.00 61.43 O ATOM 1289 CB GLN A 83 3.489 -12.373 6.647 1.00 34.14 C ATOM 1290 CG GLN A 83 4.699 -12.303 5.730 1.00 34.13 C ATOM 1291 CD GLN A 83 5.928 -12.947 6.341 1.00 2.50 C ATOM 1292 OE1 GLN A 83 6.724 -12.287 7.019 1.00 74.52 O ATOM 1293 NE2 GLN A 83 6.089 -14.237 6.117 1.00 34.31 N ATOM 0 H GLN A 83 1.699 -11.456 8.661 1.00 75.25 H new ATOM 0 HA GLN A 83 4.587 -11.961 8.460 1.00 42.15 H new ATOM 0 HB2 GLN A 83 3.263 -13.419 6.853 1.00 34.14 H new ATOM 0 HB3 GLN A 83 2.627 -11.958 6.125 1.00 34.14 H new ATOM 0 HG2 GLN A 83 4.465 -12.796 4.787 1.00 34.13 H new ATOM 0 HG3 GLN A 83 4.916 -11.260 5.499 1.00 34.13 H new ATOM 0 HE21 GLN A 83 5.409 -14.745 5.552 1.00 34.31 H new ATOM 0 HE22 GLN A 83 6.894 -14.726 6.509 1.00 34.31 H new ATOM 1302 N MET A 84 2.671 -9.441 7.609 1.00 30.13 N ATOM 1303 CA MET A 84 2.676 -8.014 7.294 1.00 43.04 C ATOM 1304 C MET A 84 2.225 -7.181 8.507 1.00 53.44 C ATOM 1305 O MET A 84 1.812 -7.739 9.524 1.00 10.41 O ATOM 1306 CB MET A 84 1.765 -7.761 6.078 1.00 24.21 C ATOM 1307 CG MET A 84 1.850 -6.358 5.494 1.00 2.10 C ATOM 1308 SD MET A 84 3.517 -5.901 4.978 1.00 72.33 S ATOM 1309 CE MET A 84 3.846 -7.155 3.739 1.00 44.43 C ATOM 0 H MET A 84 1.741 -9.845 7.725 1.00 30.13 H new ATOM 0 HA MET A 84 3.692 -7.704 7.049 1.00 43.04 H new ATOM 0 HB2 MET A 84 2.017 -8.479 5.298 1.00 24.21 H new ATOM 0 HB3 MET A 84 0.733 -7.956 6.369 1.00 24.21 H new ATOM 0 HG2 MET A 84 1.180 -6.287 4.638 1.00 2.10 H new ATOM 0 HG3 MET A 84 1.497 -5.641 6.235 1.00 2.10 H new ATOM 0 HE1 MET A 84 4.358 -6.702 2.890 1.00 44.43 H new ATOM 0 HE2 MET A 84 4.476 -7.934 4.168 1.00 44.43 H new ATOM 0 HE3 MET A 84 2.905 -7.592 3.405 1.00 44.43 H new ATOM 1319 N GLN A 85 2.324 -5.844 8.396 1.00 41.21 N ATOM 1320 CA GLN A 85 1.915 -4.940 9.470 1.00 1.01 C ATOM 1321 C GLN A 85 0.454 -5.171 9.814 1.00 23.20 C ATOM 1322 O GLN A 85 -0.375 -5.316 8.921 1.00 64.13 O ATOM 1323 CB GLN A 85 2.135 -3.478 9.059 1.00 4.20 C ATOM 1324 CG GLN A 85 3.592 -3.124 8.791 1.00 50.41 C ATOM 1325 CD GLN A 85 3.789 -1.662 8.420 1.00 55.30 C ATOM 1326 OE1 GLN A 85 2.912 -1.030 7.822 1.00 45.14 O ATOM 1327 NE2 GLN A 85 4.937 -1.116 8.772 1.00 63.53 N ATOM 0 H GLN A 85 2.686 -5.371 7.568 1.00 41.21 H new ATOM 0 HA GLN A 85 2.526 -5.147 10.349 1.00 1.01 H new ATOM 0 HB2 GLN A 85 1.550 -3.271 8.163 1.00 4.20 H new ATOM 0 HB3 GLN A 85 1.752 -2.828 9.846 1.00 4.20 H new ATOM 0 HG2 GLN A 85 4.184 -3.351 9.677 1.00 50.41 H new ATOM 0 HG3 GLN A 85 3.971 -3.752 7.985 1.00 50.41 H new ATOM 0 HE21 GLN A 85 5.636 -1.672 9.265 1.00 63.53 H new ATOM 0 HE22 GLN A 85 5.126 -0.138 8.551 1.00 63.53 H new ATOM 1336 N LYS A 86 0.146 -5.186 11.105 1.00 71.42 N ATOM 1337 CA LYS A 86 -1.209 -5.488 11.579 1.00 2.20 C ATOM 1338 C LYS A 86 -2.304 -4.620 10.923 1.00 40.24 C ATOM 1339 O LYS A 86 -3.259 -5.167 10.375 1.00 1.34 O ATOM 1340 CB LYS A 86 -1.302 -5.426 13.114 1.00 23.04 C ATOM 1341 CG LYS A 86 -0.379 -6.405 13.836 1.00 30.45 C ATOM 1342 CD LYS A 86 -0.519 -7.830 13.301 1.00 44.12 C ATOM 1343 CE LYS A 86 -1.959 -8.328 13.351 1.00 32.35 C ATOM 1344 NZ LYS A 86 -2.503 -8.351 14.728 1.00 63.31 N ATOM 0 H LYS A 86 0.816 -4.992 11.849 1.00 71.42 H new ATOM 0 HA LYS A 86 -1.404 -6.513 11.263 1.00 2.20 H new ATOM 0 HB2 LYS A 86 -1.066 -4.413 13.441 1.00 23.04 H new ATOM 0 HB3 LYS A 86 -2.331 -5.626 13.413 1.00 23.04 H new ATOM 0 HG2 LYS A 86 0.654 -6.077 13.725 1.00 30.45 H new ATOM 0 HG3 LYS A 86 -0.604 -6.395 14.902 1.00 30.45 H new ATOM 0 HD2 LYS A 86 -0.160 -7.866 12.273 1.00 44.12 H new ATOM 0 HD3 LYS A 86 0.115 -8.498 13.884 1.00 44.12 H new ATOM 0 HE2 LYS A 86 -2.583 -7.688 12.728 1.00 32.35 H new ATOM 0 HE3 LYS A 86 -2.008 -9.331 12.927 1.00 32.35 H new ATOM 0 HZ1 LYS A 86 -3.466 -8.744 14.714 1.00 63.31 H new ATOM 0 HZ2 LYS A 86 -1.896 -8.942 15.331 1.00 63.31 H new ATOM 0 HZ3 LYS A 86 -2.530 -7.383 15.107 1.00 63.31 H new ATOM 1358 N PRO A 87 -2.185 -3.257 10.941 1.00 64.12 N ATOM 1359 CA PRO A 87 -3.210 -2.376 10.343 1.00 13.22 C ATOM 1360 C PRO A 87 -3.438 -2.677 8.861 1.00 15.23 C ATOM 1361 O PRO A 87 -4.504 -2.397 8.313 1.00 44.11 O ATOM 1362 CB PRO A 87 -2.621 -0.970 10.512 1.00 74.22 C ATOM 1363 CG PRO A 87 -1.660 -1.096 11.640 1.00 25.43 C ATOM 1364 CD PRO A 87 -1.079 -2.472 11.533 1.00 32.55 C ATOM 0 HA PRO A 87 -4.182 -2.506 10.819 1.00 13.22 H new ATOM 0 HB2 PRO A 87 -2.122 -0.638 9.602 1.00 74.22 H new ATOM 0 HB3 PRO A 87 -3.399 -0.239 10.734 1.00 74.22 H new ATOM 0 HG2 PRO A 87 -0.880 -0.337 11.576 1.00 25.43 H new ATOM 0 HG3 PRO A 87 -2.162 -0.957 12.598 1.00 25.43 H new ATOM 0 HD2 PRO A 87 -0.191 -2.487 10.901 1.00 32.55 H new ATOM 0 HD3 PRO A 87 -0.784 -2.862 12.507 1.00 32.55 H new ATOM 1372 N PHE A 88 -2.434 -3.261 8.230 1.00 11.43 N ATOM 1373 CA PHE A 88 -2.499 -3.608 6.827 1.00 64.52 C ATOM 1374 C PHE A 88 -3.059 -5.020 6.651 1.00 33.01 C ATOM 1375 O PHE A 88 -4.041 -5.234 5.939 1.00 21.12 O ATOM 1376 CB PHE A 88 -1.093 -3.519 6.206 1.00 22.11 C ATOM 1377 CG PHE A 88 -1.029 -3.893 4.747 1.00 71.24 C ATOM 1378 CD1 PHE A 88 -0.960 -5.223 4.358 1.00 74.31 C ATOM 1379 CD2 PHE A 88 -1.033 -2.919 3.770 1.00 22.12 C ATOM 1380 CE1 PHE A 88 -0.898 -5.571 3.029 1.00 45.41 C ATOM 1381 CE2 PHE A 88 -0.971 -3.262 2.435 1.00 62.22 C ATOM 1382 CZ PHE A 88 -0.904 -4.593 2.066 1.00 24.21 C ATOM 0 H PHE A 88 -1.552 -3.507 8.679 1.00 11.43 H new ATOM 0 HA PHE A 88 -3.163 -2.907 6.321 1.00 64.52 H new ATOM 0 HB2 PHE A 88 -0.721 -2.501 6.324 1.00 22.11 H new ATOM 0 HB3 PHE A 88 -0.421 -4.170 6.765 1.00 22.11 H new ATOM 0 HD1 PHE A 88 -0.955 -5.997 5.111 1.00 74.31 H new ATOM 0 HD2 PHE A 88 -1.085 -1.878 4.053 1.00 22.12 H new ATOM 0 HE1 PHE A 88 -0.845 -6.611 2.744 1.00 45.41 H new ATOM 0 HE2 PHE A 88 -0.975 -2.491 1.678 1.00 62.22 H new ATOM 0 HZ PHE A 88 -0.856 -4.863 1.021 1.00 24.21 H new ATOM 1392 N GLU A 89 -2.432 -5.960 7.324 1.00 51.44 N ATOM 1393 CA GLU A 89 -2.755 -7.373 7.212 1.00 72.10 C ATOM 1394 C GLU A 89 -4.196 -7.672 7.628 1.00 21.44 C ATOM 1395 O GLU A 89 -4.926 -8.365 6.909 1.00 54.43 O ATOM 1396 CB GLU A 89 -1.780 -8.172 8.063 1.00 34.43 C ATOM 1397 CG GLU A 89 -1.836 -9.663 7.846 1.00 22.23 C ATOM 1398 CD GLU A 89 -0.803 -10.379 8.666 1.00 41.55 C ATOM 1399 OE1 GLU A 89 -1.100 -10.736 9.825 1.00 20.32 O ATOM 1400 OE2 GLU A 89 0.320 -10.579 8.174 1.00 63.35 O ATOM 0 H GLU A 89 -1.671 -5.765 7.975 1.00 51.44 H new ATOM 0 HA GLU A 89 -2.664 -7.662 6.165 1.00 72.10 H new ATOM 0 HB2 GLU A 89 -0.768 -7.825 7.855 1.00 34.43 H new ATOM 0 HB3 GLU A 89 -1.979 -7.963 9.114 1.00 34.43 H new ATOM 0 HG2 GLU A 89 -2.828 -10.032 8.106 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -1.680 -9.884 6.790 1.00 22.23 H new ATOM 1407 N ASP A 90 -4.611 -7.131 8.772 1.00 74.30 N ATOM 1408 CA ASP A 90 -5.963 -7.370 9.291 1.00 3.22 C ATOM 1409 C ASP A 90 -7.030 -6.856 8.334 1.00 44.35 C ATOM 1410 O ASP A 90 -8.165 -7.341 8.337 1.00 1.50 O ATOM 1411 CB ASP A 90 -6.156 -6.729 10.671 1.00 54.32 C ATOM 1412 CG ASP A 90 -5.409 -7.449 11.778 1.00 64.10 C ATOM 1413 OD1 ASP A 90 -5.703 -8.641 12.030 1.00 31.12 O ATOM 1414 OD2 ASP A 90 -4.535 -6.824 12.416 1.00 72.15 O ATOM 0 H ASP A 90 -4.035 -6.526 9.358 1.00 74.30 H new ATOM 0 HA ASP A 90 -6.074 -8.450 9.388 1.00 3.22 H new ATOM 0 HB2 ASP A 90 -5.822 -5.692 10.632 1.00 54.32 H new ATOM 0 HB3 ASP A 90 -7.219 -6.713 10.911 1.00 54.32 H new ATOM 1419 N ALA A 91 -6.667 -5.877 7.521 1.00 2.11 N ATOM 1420 CA ALA A 91 -7.590 -5.306 6.555 1.00 22.21 C ATOM 1421 C ALA A 91 -7.544 -6.074 5.241 1.00 2.43 C ATOM 1422 O ALA A 91 -8.559 -6.228 4.568 1.00 21.22 O ATOM 1423 CB ALA A 91 -7.272 -3.838 6.319 1.00 64.25 C ATOM 0 H ALA A 91 -5.736 -5.460 7.512 1.00 2.11 H new ATOM 0 HA ALA A 91 -8.598 -5.385 6.962 1.00 22.21 H new ATOM 0 HB1 ALA A 91 -7.973 -3.426 5.593 1.00 64.25 H new ATOM 0 HB2 ALA A 91 -7.359 -3.291 7.258 1.00 64.25 H new ATOM 0 HB3 ALA A 91 -6.256 -3.743 5.937 1.00 64.25 H new ATOM 1429 N SER A 92 -6.366 -6.575 4.898 1.00 65.14 N ATOM 1430 CA SER A 92 -6.167 -7.309 3.652 1.00 30.31 C ATOM 1431 C SER A 92 -7.033 -8.567 3.606 1.00 62.11 C ATOM 1432 O SER A 92 -7.658 -8.868 2.588 1.00 11.22 O ATOM 1433 CB SER A 92 -4.694 -7.680 3.490 1.00 0.11 C ATOM 1434 OG SER A 92 -3.872 -6.528 3.545 1.00 74.13 O ATOM 0 H SER A 92 -5.526 -6.486 5.469 1.00 65.14 H new ATOM 0 HA SER A 92 -6.467 -6.662 2.828 1.00 30.31 H new ATOM 0 HB2 SER A 92 -4.402 -8.377 4.275 1.00 0.11 H new ATOM 0 HB3 SER A 92 -4.546 -8.191 2.539 1.00 0.11 H new ATOM 0 HG SER A 92 -3.907 -6.144 4.446 1.00 74.13 H new ATOM 1440 N PHE A 93 -7.086 -9.283 4.722 1.00 14.43 N ATOM 1441 CA PHE A 93 -7.866 -10.515 4.801 1.00 4.32 C ATOM 1442 C PHE A 93 -9.348 -10.231 5.011 1.00 61.32 C ATOM 1443 O PHE A 93 -10.164 -11.148 5.053 1.00 35.33 O ATOM 1444 CB PHE A 93 -7.327 -11.426 5.905 1.00 61.53 C ATOM 1445 CG PHE A 93 -5.996 -12.036 5.571 1.00 12.34 C ATOM 1446 CD1 PHE A 93 -4.823 -11.326 5.765 1.00 42.43 C ATOM 1447 CD2 PHE A 93 -5.919 -13.317 5.051 1.00 24.54 C ATOM 1448 CE1 PHE A 93 -3.601 -11.882 5.449 1.00 2.05 C ATOM 1449 CE2 PHE A 93 -4.699 -13.878 4.732 1.00 42.55 C ATOM 1450 CZ PHE A 93 -3.540 -13.158 4.932 1.00 44.54 C ATOM 0 H PHE A 93 -6.600 -9.034 5.584 1.00 14.43 H new ATOM 0 HA PHE A 93 -7.764 -11.030 3.846 1.00 4.32 H new ATOM 0 HB2 PHE A 93 -7.236 -10.853 6.828 1.00 61.53 H new ATOM 0 HB3 PHE A 93 -8.047 -12.222 6.094 1.00 61.53 H new ATOM 0 HD1 PHE A 93 -4.866 -10.325 6.168 1.00 42.43 H new ATOM 0 HD2 PHE A 93 -6.825 -13.884 4.893 1.00 24.54 H new ATOM 0 HE1 PHE A 93 -2.693 -11.318 5.606 1.00 2.05 H new ATOM 0 HE2 PHE A 93 -4.652 -14.878 4.327 1.00 42.55 H new ATOM 0 HZ PHE A 93 -2.584 -13.594 4.683 1.00 44.54 H new ATOM 1460 N ALA A 94 -9.688 -8.959 5.138 1.00 1.24 N ATOM 1461 CA ALA A 94 -11.072 -8.556 5.297 1.00 1.14 C ATOM 1462 C ALA A 94 -11.661 -8.167 3.947 1.00 74.15 C ATOM 1463 O ALA A 94 -12.882 -8.135 3.770 1.00 4.23 O ATOM 1464 CB ALA A 94 -11.181 -7.400 6.282 1.00 63.04 C ATOM 0 H ALA A 94 -9.021 -8.187 5.134 1.00 1.24 H new ATOM 0 HA ALA A 94 -11.639 -9.397 5.696 1.00 1.14 H new ATOM 0 HB1 ALA A 94 -12.226 -7.111 6.389 1.00 63.04 H new ATOM 0 HB2 ALA A 94 -10.789 -7.709 7.251 1.00 63.04 H new ATOM 0 HB3 ALA A 94 -10.606 -6.551 5.912 1.00 63.04 H new ATOM 1470 N LEU A 95 -10.783 -7.880 2.996 1.00 21.42 N ATOM 1471 CA LEU A 95 -11.190 -7.495 1.654 1.00 40.35 C ATOM 1472 C LEU A 95 -11.418 -8.729 0.792 1.00 62.42 C ATOM 1473 O LEU A 95 -11.089 -9.849 1.196 1.00 63.54 O ATOM 1474 CB LEU A 95 -10.119 -6.612 1.003 1.00 0.35 C ATOM 1475 CG LEU A 95 -9.775 -5.315 1.735 1.00 62.42 C ATOM 1476 CD1 LEU A 95 -8.660 -4.581 1.010 1.00 3.33 C ATOM 1477 CD2 LEU A 95 -11.003 -4.425 1.864 1.00 22.03 C ATOM 0 H LEU A 95 -9.773 -7.908 3.133 1.00 21.42 H new ATOM 0 HA LEU A 95 -12.121 -6.934 1.730 1.00 40.35 H new ATOM 0 HB2 LEU A 95 -9.207 -7.200 0.901 1.00 0.35 H new ATOM 0 HB3 LEU A 95 -10.450 -6.359 -0.004 1.00 0.35 H new ATOM 0 HG LEU A 95 -9.432 -5.568 2.738 1.00 62.42 H new ATOM 0 HD11 LEU A 95 -8.425 -3.659 1.542 1.00 3.33 H new ATOM 0 HD12 LEU A 95 -7.773 -5.214 0.971 1.00 3.33 H new ATOM 0 HD13 LEU A 95 -8.981 -4.343 -0.004 1.00 3.33 H new ATOM 0 HD21 LEU A 95 -10.734 -3.508 2.388 1.00 22.03 H new ATOM 0 HD22 LEU A 95 -11.380 -4.179 0.871 1.00 22.03 H new ATOM 0 HD23 LEU A 95 -11.776 -4.950 2.425 1.00 22.03 H new ATOM 1489 N ARG A 96 -11.983 -8.526 -0.382 1.00 62.31 N ATOM 1490 CA ARG A 96 -12.206 -9.611 -1.326 1.00 64.24 C ATOM 1491 C ARG A 96 -11.349 -9.405 -2.573 1.00 71.04 C ATOM 1492 O ARG A 96 -10.680 -8.380 -2.708 1.00 32.43 O ATOM 1493 CB ARG A 96 -13.688 -9.703 -1.711 1.00 31.22 C ATOM 1494 CG ARG A 96 -14.207 -8.494 -2.477 1.00 32.30 C ATOM 1495 CD ARG A 96 -15.689 -8.621 -2.783 1.00 20.11 C ATOM 1496 NE ARG A 96 -16.489 -8.704 -1.564 1.00 72.20 N ATOM 1497 CZ ARG A 96 -17.752 -8.295 -1.458 1.00 43.55 C ATOM 1498 NH1 ARG A 96 -18.376 -7.750 -2.498 1.00 63.30 N ATOM 1499 NH2 ARG A 96 -18.385 -8.425 -0.307 1.00 63.11 N ATOM 0 H ARG A 96 -12.299 -7.613 -0.710 1.00 62.31 H new ATOM 0 HA ARG A 96 -11.919 -10.547 -0.848 1.00 64.24 H new ATOM 0 HB2 ARG A 96 -13.840 -10.596 -2.317 1.00 31.22 H new ATOM 0 HB3 ARG A 96 -14.281 -9.828 -0.805 1.00 31.22 H new ATOM 0 HG2 ARG A 96 -14.031 -7.590 -1.894 1.00 32.30 H new ATOM 0 HG3 ARG A 96 -13.650 -8.386 -3.408 1.00 32.30 H new ATOM 0 HD2 ARG A 96 -16.013 -7.764 -3.373 1.00 20.11 H new ATOM 0 HD3 ARG A 96 -15.860 -9.509 -3.391 1.00 20.11 H new ATOM 0 HE ARG A 96 -16.049 -9.104 -0.735 1.00 72.20 H new ATOM 0 HH11 ARG A 96 -17.887 -7.642 -3.387 1.00 63.30 H new ATOM 0 HH12 ARG A 96 -19.343 -7.440 -2.407 1.00 63.30 H new ATOM 0 HH21 ARG A 96 -17.907 -8.837 0.494 1.00 63.11 H new ATOM 0 HH22 ARG A 96 -19.352 -8.114 -0.219 1.00 63.11 H new ATOM 1513 N THR A 97 -11.367 -10.372 -3.468 1.00 24.42 N ATOM 1514 CA THR A 97 -10.603 -10.294 -4.699 1.00 74.43 C ATOM 1515 C THR A 97 -11.106 -9.136 -5.571 1.00 45.33 C ATOM 1516 O THR A 97 -12.318 -8.967 -5.756 1.00 53.13 O ATOM 1517 CB THR A 97 -10.706 -11.619 -5.485 1.00 42.00 C ATOM 1518 OG1 THR A 97 -10.380 -12.719 -4.617 1.00 43.53 O ATOM 1519 CG2 THR A 97 -9.759 -11.620 -6.677 1.00 5.45 C ATOM 0 H THR A 97 -11.908 -11.230 -3.365 1.00 24.42 H new ATOM 0 HA THR A 97 -9.559 -10.116 -4.440 1.00 74.43 H new ATOM 0 HB THR A 97 -11.727 -11.723 -5.852 1.00 42.00 H new ATOM 0 HG1 THR A 97 -9.498 -12.569 -4.217 1.00 43.53 H new ATOM 0 HG21 THR A 97 -9.851 -12.564 -7.214 1.00 5.45 H new ATOM 0 HG22 THR A 97 -10.013 -10.797 -7.345 1.00 5.45 H new ATOM 0 HG23 THR A 97 -8.734 -11.500 -6.327 1.00 5.45 H new ATOM 1527 N GLY A 98 -10.179 -8.332 -6.077 1.00 50.42 N ATOM 1528 CA GLY A 98 -10.547 -7.206 -6.911 1.00 34.42 C ATOM 1529 C GLY A 98 -11.133 -6.067 -6.106 1.00 60.12 C ATOM 1530 O GLY A 98 -11.930 -5.282 -6.616 1.00 50.22 O ATOM 0 H GLY A 98 -9.177 -8.441 -5.924 1.00 50.42 H new ATOM 0 HA2 GLY A 98 -9.668 -6.853 -7.451 1.00 34.42 H new ATOM 0 HA3 GLY A 98 -11.271 -7.531 -7.658 1.00 34.42 H new ATOM 1534 N GLU A 99 -10.749 -5.986 -4.846 1.00 61.25 N ATOM 1535 CA GLU A 99 -11.235 -4.946 -3.962 1.00 42.20 C ATOM 1536 C GLU A 99 -10.064 -4.141 -3.408 1.00 44.01 C ATOM 1537 O GLU A 99 -9.014 -4.705 -3.079 1.00 51.45 O ATOM 1538 CB GLU A 99 -12.064 -5.566 -2.831 1.00 41.14 C ATOM 1539 CG GLU A 99 -12.666 -4.565 -1.863 1.00 20.45 C ATOM 1540 CD GLU A 99 -13.661 -5.204 -0.920 1.00 32.02 C ATOM 1541 OE1 GLU A 99 -13.272 -6.103 -0.159 1.00 60.32 O ATOM 1542 OE2 GLU A 99 -14.845 -4.800 -0.937 1.00 23.20 O ATOM 0 H GLU A 99 -10.095 -6.636 -4.409 1.00 61.25 H new ATOM 0 HA GLU A 99 -11.878 -4.267 -4.523 1.00 42.20 H new ATOM 0 HB2 GLU A 99 -12.869 -6.155 -3.270 1.00 41.14 H new ATOM 0 HB3 GLU A 99 -11.432 -6.256 -2.272 1.00 41.14 H new ATOM 0 HG2 GLU A 99 -11.869 -4.098 -1.284 1.00 20.45 H new ATOM 0 HG3 GLU A 99 -13.159 -3.772 -2.425 1.00 20.45 H new ATOM 1549 N MET A 100 -10.244 -2.833 -3.325 1.00 2.21 N ATOM 1550 CA MET A 100 -9.201 -1.937 -2.852 1.00 63.15 C ATOM 1551 C MET A 100 -9.690 -1.126 -1.656 1.00 54.12 C ATOM 1552 O MET A 100 -10.833 -0.663 -1.636 1.00 24.32 O ATOM 1553 CB MET A 100 -8.768 -0.997 -3.986 1.00 11.22 C ATOM 1554 CG MET A 100 -7.663 -0.021 -3.611 1.00 3.52 C ATOM 1555 SD MET A 100 -7.132 1.004 -5.004 1.00 15.32 S ATOM 1556 CE MET A 100 -8.668 1.811 -5.452 1.00 71.22 C ATOM 0 H MET A 100 -11.113 -2.364 -3.582 1.00 2.21 H new ATOM 0 HA MET A 100 -8.346 -2.534 -2.535 1.00 63.15 H new ATOM 0 HB2 MET A 100 -8.433 -1.598 -4.831 1.00 11.22 H new ATOM 0 HB3 MET A 100 -9.636 -0.431 -4.323 1.00 11.22 H new ATOM 0 HG2 MET A 100 -8.012 0.623 -2.804 1.00 3.52 H new ATOM 0 HG3 MET A 100 -6.807 -0.577 -3.228 1.00 3.52 H new ATOM 0 HE1 MET A 100 -8.456 2.668 -6.091 1.00 71.22 H new ATOM 0 HE2 MET A 100 -9.305 1.108 -5.988 1.00 71.22 H new ATOM 0 HE3 MET A 100 -9.178 2.148 -4.550 1.00 71.22 H new ATOM 1566 N SER A 101 -8.836 -0.965 -0.664 1.00 2.01 N ATOM 1567 CA SER A 101 -9.174 -0.200 0.524 1.00 53.22 C ATOM 1568 C SER A 101 -8.720 1.252 0.381 1.00 52.22 C ATOM 1569 O SER A 101 -8.096 1.623 -0.622 1.00 32.01 O ATOM 1570 CB SER A 101 -8.529 -0.836 1.753 1.00 62.32 C ATOM 1571 OG SER A 101 -7.138 -1.027 1.552 1.00 43.21 O ATOM 0 H SER A 101 -7.894 -1.357 -0.657 1.00 2.01 H new ATOM 0 HA SER A 101 -10.257 -0.208 0.645 1.00 53.22 H new ATOM 0 HB2 SER A 101 -8.691 -0.201 2.624 1.00 62.32 H new ATOM 0 HB3 SER A 101 -9.005 -1.794 1.964 1.00 62.32 H new ATOM 0 HG SER A 101 -6.692 -1.125 2.419 1.00 43.21 H new ATOM 1577 N GLY A 102 -9.049 2.071 1.369 1.00 44.44 N ATOM 1578 CA GLY A 102 -8.646 3.458 1.348 1.00 31.33 C ATOM 1579 C GLY A 102 -7.285 3.670 1.989 1.00 62.13 C ATOM 1580 O GLY A 102 -6.516 2.719 2.143 1.00 73.01 O ATOM 0 H GLY A 102 -9.591 1.796 2.188 1.00 44.44 H new ATOM 0 HA2 GLY A 102 -8.619 3.811 0.317 1.00 31.33 H new ATOM 0 HA3 GLY A 102 -9.390 4.059 1.872 1.00 31.33 H new ATOM 1584 N PRO A 103 -6.967 4.911 2.384 1.00 40.24 N ATOM 1585 CA PRO A 103 -5.677 5.250 2.996 1.00 45.03 C ATOM 1586 C PRO A 103 -5.479 4.597 4.369 1.00 70.14 C ATOM 1587 O PRO A 103 -6.059 5.034 5.369 1.00 23.42 O ATOM 1588 CB PRO A 103 -5.734 6.785 3.143 1.00 71.31 C ATOM 1589 CG PRO A 103 -6.860 7.220 2.268 1.00 71.11 C ATOM 1590 CD PRO A 103 -7.836 6.086 2.264 1.00 71.35 C ATOM 0 HA PRO A 103 -4.845 4.893 2.389 1.00 45.03 H new ATOM 0 HB2 PRO A 103 -5.906 7.075 4.179 1.00 71.31 H new ATOM 0 HB3 PRO A 103 -4.795 7.245 2.835 1.00 71.31 H new ATOM 0 HG2 PRO A 103 -7.321 8.131 2.649 1.00 71.11 H new ATOM 0 HG3 PRO A 103 -6.509 7.438 1.259 1.00 71.11 H new ATOM 0 HD2 PRO A 103 -8.540 6.155 3.093 1.00 71.35 H new ATOM 0 HD3 PRO A 103 -8.425 6.062 1.347 1.00 71.35 H new ATOM 1598 N VAL A 104 -4.678 3.542 4.408 1.00 22.01 N ATOM 1599 CA VAL A 104 -4.375 2.854 5.657 1.00 75.20 C ATOM 1600 C VAL A 104 -3.139 3.471 6.313 1.00 43.33 C ATOM 1601 O VAL A 104 -2.026 3.352 5.796 1.00 53.53 O ATOM 1602 CB VAL A 104 -4.136 1.340 5.429 1.00 4.22 C ATOM 1603 CG1 VAL A 104 -3.844 0.633 6.746 1.00 24.05 C ATOM 1604 CG2 VAL A 104 -5.333 0.706 4.734 1.00 4.31 C ATOM 0 H VAL A 104 -4.224 3.142 3.587 1.00 22.01 H new ATOM 0 HA VAL A 104 -5.237 2.970 6.314 1.00 75.20 H new ATOM 0 HB VAL A 104 -3.265 1.228 4.783 1.00 4.22 H new ATOM 0 HG11 VAL A 104 -3.680 -0.428 6.561 1.00 24.05 H new ATOM 0 HG12 VAL A 104 -2.952 1.064 7.201 1.00 24.05 H new ATOM 0 HG13 VAL A 104 -4.691 0.757 7.421 1.00 24.05 H new ATOM 0 HG21 VAL A 104 -5.145 -0.357 4.583 1.00 4.31 H new ATOM 0 HG22 VAL A 104 -6.222 0.833 5.352 1.00 4.31 H new ATOM 0 HG23 VAL A 104 -5.490 1.187 3.769 1.00 4.31 H new ATOM 1614 N PHE A 105 -3.343 4.130 7.441 1.00 13.00 N ATOM 1615 CA PHE A 105 -2.260 4.803 8.153 1.00 23.01 C ATOM 1616 C PHE A 105 -1.504 3.836 9.066 1.00 41.41 C ATOM 1617 O PHE A 105 -2.107 2.975 9.710 1.00 63.21 O ATOM 1618 CB PHE A 105 -2.812 5.968 8.982 1.00 61.44 C ATOM 1619 CG PHE A 105 -3.518 7.021 8.171 1.00 32.02 C ATOM 1620 CD1 PHE A 105 -2.808 8.062 7.597 1.00 53.21 C ATOM 1621 CD2 PHE A 105 -4.892 6.972 7.989 1.00 13.34 C ATOM 1622 CE1 PHE A 105 -3.454 9.034 6.856 1.00 41.12 C ATOM 1623 CE2 PHE A 105 -5.542 7.940 7.248 1.00 4.44 C ATOM 1624 CZ PHE A 105 -4.822 8.972 6.681 1.00 42.42 C ATOM 0 H PHE A 105 -4.255 4.216 7.890 1.00 13.00 H new ATOM 0 HA PHE A 105 -1.563 5.185 7.407 1.00 23.01 H new ATOM 0 HB2 PHE A 105 -3.504 5.574 9.726 1.00 61.44 H new ATOM 0 HB3 PHE A 105 -1.990 6.434 9.526 1.00 61.44 H new ATOM 0 HD1 PHE A 105 -1.738 8.115 7.730 1.00 53.21 H new ATOM 0 HD2 PHE A 105 -5.461 6.168 8.432 1.00 13.34 H new ATOM 0 HE1 PHE A 105 -2.889 9.841 6.414 1.00 41.12 H new ATOM 0 HE2 PHE A 105 -6.612 7.889 7.113 1.00 4.44 H new ATOM 0 HZ PHE A 105 -5.328 9.730 6.101 1.00 42.42 H new ATOM 1634 N THR A 106 -0.187 3.986 9.110 1.00 70.44 N ATOM 1635 CA THR A 106 0.672 3.164 9.962 1.00 31.40 C ATOM 1636 C THR A 106 1.819 4.008 10.501 1.00 74.32 C ATOM 1637 O THR A 106 1.904 5.201 10.209 1.00 15.52 O ATOM 1638 CB THR A 106 1.275 1.969 9.188 1.00 14.03 C ATOM 1639 OG1 THR A 106 1.934 2.443 8.004 1.00 42.51 O ATOM 1640 CG2 THR A 106 0.206 0.952 8.810 1.00 13.31 C ATOM 0 H THR A 106 0.319 4.679 8.558 1.00 70.44 H new ATOM 0 HA THR A 106 0.053 2.782 10.774 1.00 31.40 H new ATOM 0 HB THR A 106 1.995 1.474 9.839 1.00 14.03 H new ATOM 0 HG1 THR A 106 1.315 2.998 7.485 1.00 42.51 H new ATOM 0 HG21 THR A 106 0.665 0.126 8.267 1.00 13.31 H new ATOM 0 HG22 THR A 106 -0.271 0.572 9.714 1.00 13.31 H new ATOM 0 HG23 THR A 106 -0.543 1.429 8.178 1.00 13.31 H new ATOM 1648 N ASP A 107 2.707 3.385 11.266 1.00 31.12 N ATOM 1649 CA ASP A 107 3.875 4.075 11.813 1.00 71.11 C ATOM 1650 C ASP A 107 4.812 4.535 10.697 1.00 23.33 C ATOM 1651 O ASP A 107 5.525 5.534 10.840 1.00 2.14 O ATOM 1652 CB ASP A 107 4.642 3.165 12.791 1.00 1.04 C ATOM 1653 CG ASP A 107 5.190 1.898 12.139 1.00 13.41 C ATOM 1654 OD1 ASP A 107 6.202 1.981 11.408 1.00 54.11 O ATOM 1655 OD2 ASP A 107 4.611 0.818 12.360 1.00 0.20 O ATOM 0 H ASP A 107 2.643 2.400 11.524 1.00 31.12 H new ATOM 0 HA ASP A 107 3.515 4.951 12.353 1.00 71.11 H new ATOM 0 HB2 ASP A 107 5.468 3.727 13.226 1.00 1.04 H new ATOM 0 HB3 ASP A 107 3.980 2.886 13.611 1.00 1.04 H new ATOM 1660 N SER A 108 4.790 3.817 9.589 1.00 61.23 N ATOM 1661 CA SER A 108 5.660 4.115 8.474 1.00 74.03 C ATOM 1662 C SER A 108 5.018 5.121 7.509 1.00 43.32 C ATOM 1663 O SER A 108 5.617 6.144 7.176 1.00 21.14 O ATOM 1664 CB SER A 108 6.011 2.823 7.746 1.00 35.54 C ATOM 1665 OG SER A 108 6.460 1.832 8.664 1.00 20.33 O ATOM 0 H SER A 108 4.173 3.018 9.440 1.00 61.23 H new ATOM 0 HA SER A 108 6.570 4.574 8.860 1.00 74.03 H new ATOM 0 HB2 SER A 108 5.138 2.456 7.206 1.00 35.54 H new ATOM 0 HB3 SER A 108 6.786 3.017 7.005 1.00 35.54 H new ATOM 0 HG SER A 108 6.387 2.176 9.579 1.00 20.33 H new ATOM 1671 N GLY A 109 3.804 4.835 7.070 1.00 2.44 N ATOM 1672 CA GLY A 109 3.145 5.721 6.136 1.00 63.35 C ATOM 1673 C GLY A 109 1.764 5.251 5.769 1.00 51.24 C ATOM 1674 O GLY A 109 1.148 4.480 6.510 1.00 2.24 O ATOM 0 H GLY A 109 3.266 4.012 7.341 1.00 2.44 H new ATOM 0 HA2 GLY A 109 3.082 6.719 6.570 1.00 63.35 H new ATOM 0 HA3 GLY A 109 3.749 5.804 5.232 1.00 63.35 H new ATOM 1678 N ILE A 110 1.281 5.696 4.627 1.00 23.11 N ATOM 1679 CA ILE A 110 -0.043 5.332 4.165 1.00 11.14 C ATOM 1680 C ILE A 110 0.043 4.179 3.166 1.00 12.42 C ATOM 1681 O ILE A 110 0.880 4.191 2.259 1.00 72.11 O ATOM 1682 CB ILE A 110 -0.754 6.533 3.508 1.00 4.55 C ATOM 1683 CG1 ILE A 110 -0.691 7.757 4.431 1.00 2.23 C ATOM 1684 CG2 ILE A 110 -2.201 6.178 3.196 1.00 65.20 C ATOM 1685 CD1 ILE A 110 -1.271 9.015 3.822 1.00 32.21 C ATOM 0 H ILE A 110 1.791 6.316 3.997 1.00 23.11 H new ATOM 0 HA ILE A 110 -0.624 5.018 5.032 1.00 11.14 H new ATOM 0 HB ILE A 110 -0.245 6.776 2.575 1.00 4.55 H new ATOM 0 HG12 ILE A 110 -1.226 7.532 5.354 1.00 2.23 H new ATOM 0 HG13 ILE A 110 0.348 7.942 4.702 1.00 2.23 H new ATOM 0 HG21 ILE A 110 -2.694 7.033 2.733 1.00 65.20 H new ATOM 0 HG22 ILE A 110 -2.228 5.329 2.513 1.00 65.20 H new ATOM 0 HG23 ILE A 110 -2.719 5.917 4.119 1.00 65.20 H new ATOM 0 HD11 ILE A 110 -1.190 9.835 4.535 1.00 32.21 H new ATOM 0 HD12 ILE A 110 -0.722 9.267 2.915 1.00 32.21 H new ATOM 0 HD13 ILE A 110 -2.320 8.850 3.577 1.00 32.21 H new ATOM 1697 N HIS A 111 -0.811 3.184 3.347 1.00 43.34 N ATOM 1698 CA HIS A 111 -0.816 2.008 2.486 1.00 32.33 C ATOM 1699 C HIS A 111 -2.134 1.893 1.737 1.00 32.34 C ATOM 1700 O HIS A 111 -3.186 2.261 2.259 1.00 52.13 O ATOM 1701 CB HIS A 111 -0.618 0.720 3.309 1.00 65.11 C ATOM 1702 CG HIS A 111 0.609 0.690 4.170 1.00 64.13 C ATOM 1703 ND1 HIS A 111 1.689 -0.126 3.920 1.00 64.13 N ATOM 1704 CD2 HIS A 111 0.902 1.348 5.307 1.00 61.20 C ATOM 1705 CE1 HIS A 111 2.587 0.032 4.869 1.00 30.22 C ATOM 1706 NE2 HIS A 111 2.136 0.921 5.724 1.00 22.52 N ATOM 0 H HIS A 111 -1.514 3.166 4.086 1.00 43.34 H new ATOM 0 HA HIS A 111 0.006 2.125 1.779 1.00 32.33 H new ATOM 0 HB2 HIS A 111 -1.491 0.578 3.945 1.00 65.11 H new ATOM 0 HB3 HIS A 111 -0.581 -0.127 2.624 1.00 65.11 H new ATOM 0 HD2 HIS A 111 0.279 2.079 5.801 1.00 61.20 H new ATOM 0 HE1 HIS A 111 3.534 -0.482 4.934 1.00 30.22 H new ATOM 0 HE2 HIS A 111 2.624 1.241 6.561 1.00 22.52 H new ATOM 1715 N ILE A 112 -2.063 1.397 0.518 1.00 14.53 N ATOM 1716 CA ILE A 112 -3.249 1.112 -0.277 1.00 23.22 C ATOM 1717 C ILE A 112 -3.280 -0.385 -0.563 1.00 55.20 C ATOM 1718 O ILE A 112 -2.309 -0.933 -1.092 1.00 75.20 O ATOM 1719 CB ILE A 112 -3.248 1.881 -1.622 1.00 13.13 C ATOM 1720 CG1 ILE A 112 -3.055 3.384 -1.391 1.00 15.14 C ATOM 1721 CG2 ILE A 112 -4.547 1.623 -2.378 1.00 14.23 C ATOM 1722 CD1 ILE A 112 -2.997 4.194 -2.673 1.00 64.12 C ATOM 0 H ILE A 112 -1.185 1.179 0.048 1.00 14.53 H new ATOM 0 HA ILE A 112 -4.126 1.432 0.285 1.00 23.22 H new ATOM 0 HB ILE A 112 -2.414 1.519 -2.223 1.00 13.13 H new ATOM 0 HG12 ILE A 112 -3.872 3.756 -0.773 1.00 15.14 H new ATOM 0 HG13 ILE A 112 -2.134 3.541 -0.830 1.00 15.14 H new ATOM 0 HG21 ILE A 112 -4.534 2.169 -3.321 1.00 14.23 H new ATOM 0 HG22 ILE A 112 -4.646 0.556 -2.578 1.00 14.23 H new ATOM 0 HG23 ILE A 112 -5.391 1.959 -1.776 1.00 14.23 H new ATOM 0 HD11 ILE A 112 -2.859 5.248 -2.432 1.00 64.12 H new ATOM 0 HD12 ILE A 112 -2.162 3.849 -3.284 1.00 64.12 H new ATOM 0 HD13 ILE A 112 -3.928 4.067 -3.226 1.00 64.12 H new ATOM 1734 N ILE A 113 -4.368 -1.045 -0.200 1.00 73.30 N ATOM 1735 CA ILE A 113 -4.465 -2.492 -0.361 1.00 43.01 C ATOM 1736 C ILE A 113 -5.386 -2.865 -1.517 1.00 21.44 C ATOM 1737 O ILE A 113 -6.531 -2.425 -1.570 1.00 74.32 O ATOM 1738 CB ILE A 113 -5.002 -3.166 0.923 1.00 33.33 C ATOM 1739 CG1 ILE A 113 -4.267 -2.637 2.157 1.00 62.14 C ATOM 1740 CG2 ILE A 113 -4.858 -4.683 0.824 1.00 44.21 C ATOM 1741 CD1 ILE A 113 -4.834 -3.139 3.468 1.00 20.51 C ATOM 0 H ILE A 113 -5.194 -0.607 0.207 1.00 73.30 H new ATOM 0 HA ILE A 113 -3.456 -2.847 -0.569 1.00 43.01 H new ATOM 0 HB ILE A 113 -6.060 -2.923 1.025 1.00 33.33 H new ATOM 0 HG12 ILE A 113 -3.217 -2.922 2.093 1.00 62.14 H new ATOM 0 HG13 ILE A 113 -4.302 -1.548 2.150 1.00 62.14 H new ATOM 0 HG21 ILE A 113 -5.240 -5.145 1.734 1.00 44.21 H new ATOM 0 HG22 ILE A 113 -5.425 -5.047 -0.033 1.00 44.21 H new ATOM 0 HG23 ILE A 113 -3.806 -4.941 0.700 1.00 44.21 H new ATOM 0 HD11 ILE A 113 -4.261 -2.721 4.296 1.00 20.51 H new ATOM 0 HD12 ILE A 113 -5.876 -2.831 3.556 1.00 20.51 H new ATOM 0 HD13 ILE A 113 -4.774 -4.227 3.498 1.00 20.51 H new ATOM 1753 N LEU A 114 -4.875 -3.669 -2.434 1.00 25.44 N ATOM 1754 CA LEU A 114 -5.658 -4.172 -3.552 1.00 35.14 C ATOM 1755 C LEU A 114 -5.452 -5.677 -3.691 1.00 42.35 C ATOM 1756 O LEU A 114 -4.352 -6.132 -4.004 1.00 71.02 O ATOM 1757 CB LEU A 114 -5.263 -3.462 -4.855 1.00 21.02 C ATOM 1758 CG LEU A 114 -5.899 -4.015 -6.139 1.00 35.15 C ATOM 1759 CD1 LEU A 114 -7.413 -3.880 -6.104 1.00 1.43 C ATOM 1760 CD2 LEU A 114 -5.333 -3.312 -7.358 1.00 42.32 C ATOM 0 H LEU A 114 -3.907 -3.992 -2.425 1.00 25.44 H new ATOM 0 HA LEU A 114 -6.711 -3.970 -3.358 1.00 35.14 H new ATOM 0 HB2 LEU A 114 -5.527 -2.408 -4.766 1.00 21.02 H new ATOM 0 HB3 LEU A 114 -4.179 -3.511 -4.959 1.00 21.02 H new ATOM 0 HG LEU A 114 -5.657 -5.076 -6.203 1.00 35.15 H new ATOM 0 HD11 LEU A 114 -7.835 -4.280 -7.026 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.808 -4.435 -5.253 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.682 -2.828 -6.008 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -5.795 -3.717 -8.259 1.00 42.32 H new ATOM 0 HD22 LEU A 114 -5.541 -2.244 -7.292 1.00 42.32 H new ATOM 0 HD23 LEU A 114 -4.255 -3.469 -7.401 1.00 42.32 H new ATOM 1772 N ARG A 115 -6.500 -6.448 -3.440 1.00 62.44 N ATOM 1773 CA ARG A 115 -6.402 -7.902 -3.534 1.00 43.41 C ATOM 1774 C ARG A 115 -6.365 -8.381 -4.974 1.00 2.53 C ATOM 1775 O ARG A 115 -7.364 -8.304 -5.694 1.00 20.20 O ATOM 1776 CB ARG A 115 -7.541 -8.601 -2.791 1.00 74.22 C ATOM 1777 CG ARG A 115 -7.310 -8.768 -1.299 1.00 62.30 C ATOM 1778 CD ARG A 115 -8.329 -9.723 -0.687 1.00 13.10 C ATOM 1779 NE ARG A 115 -8.341 -11.030 -1.369 1.00 41.34 N ATOM 1780 CZ ARG A 115 -9.116 -12.068 -1.025 1.00 64.02 C ATOM 1781 NH1 ARG A 115 -9.954 -11.977 -0.003 1.00 51.13 N ATOM 1782 NH2 ARG A 115 -9.052 -13.192 -1.717 1.00 25.12 N ATOM 0 H ARG A 115 -7.420 -6.098 -3.172 1.00 62.44 H new ATOM 0 HA ARG A 115 -5.459 -8.169 -3.057 1.00 43.41 H new ATOM 0 HB2 ARG A 115 -8.459 -8.033 -2.943 1.00 74.22 H new ATOM 0 HB3 ARG A 115 -7.697 -9.585 -3.234 1.00 74.22 H new ATOM 0 HG2 ARG A 115 -6.303 -9.146 -1.124 1.00 62.30 H new ATOM 0 HG3 ARG A 115 -7.376 -7.798 -0.807 1.00 62.30 H new ATOM 0 HD2 ARG A 115 -8.102 -9.867 0.369 1.00 13.10 H new ATOM 0 HD3 ARG A 115 -9.322 -9.277 -0.741 1.00 13.10 H new ATOM 0 HE ARG A 115 -7.712 -11.154 -2.162 1.00 41.34 H new ATOM 0 HH11 ARG A 115 -10.014 -11.110 0.531 1.00 51.13 H new ATOM 0 HH12 ARG A 115 -10.539 -12.774 0.249 1.00 51.13 H new ATOM 0 HH21 ARG A 115 -8.414 -13.267 -2.510 1.00 25.12 H new ATOM 0 HH22 ARG A 115 -9.640 -13.984 -1.458 1.00 25.12 H new ATOM 1796 N THR A 116 -5.212 -8.874 -5.381 1.00 43.22 N ATOM 1797 CA THR A 116 -5.032 -9.438 -6.699 1.00 73.25 C ATOM 1798 C THR A 116 -5.766 -10.776 -6.774 1.00 35.22 C ATOM 1799 O THR A 116 -6.512 -11.045 -7.716 1.00 5.03 O ATOM 1800 CB THR A 116 -3.535 -9.662 -6.983 1.00 10.04 C ATOM 1801 OG1 THR A 116 -2.806 -8.461 -6.697 1.00 72.42 O ATOM 1802 CG2 THR A 116 -3.306 -10.062 -8.432 1.00 4.40 C ATOM 0 H THR A 116 -4.372 -8.894 -4.803 1.00 43.22 H new ATOM 0 HA THR A 116 -5.433 -8.748 -7.441 1.00 73.25 H new ATOM 0 HB THR A 116 -3.183 -10.471 -6.343 1.00 10.04 H new ATOM 0 HG1 THR A 116 -1.962 -8.464 -7.195 1.00 72.42 H new ATOM 0 HG21 THR A 116 -2.240 -10.213 -8.604 1.00 4.40 H new ATOM 0 HG22 THR A 116 -3.843 -10.987 -8.643 1.00 4.40 H new ATOM 0 HG23 THR A 116 -3.671 -9.273 -9.089 1.00 4.40 H new ATOM 1810 N GLU A 117 -5.552 -11.600 -5.759 1.00 64.10 N ATOM 1811 CA GLU A 117 -6.206 -12.890 -5.654 1.00 12.20 C ATOM 1812 C GLU A 117 -6.710 -13.080 -4.238 1.00 5.34 C ATOM 1813 O GLU A 117 -7.860 -12.711 -3.971 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.262 -14.039 -6.026 1.00 63.23 C ATOM 1815 CG GLU A 117 -4.778 -14.027 -7.466 1.00 13.35 C ATOM 1816 CD GLU A 117 -3.932 -15.237 -7.786 1.00 10.24 C ATOM 1817 OE1 GLU A 117 -4.477 -16.367 -7.761 1.00 54.21 O ATOM 1818 OE2 GLU A 117 -2.716 -15.077 -8.043 1.00 3.10 O ATOM 1819 OXT GLU A 117 -5.936 -13.577 -3.389 1.00 0.00 O ATOM 0 H GLU A 117 -4.920 -11.391 -4.987 1.00 64.10 H new ATOM 0 HA GLU A 117 -7.039 -12.907 -6.357 1.00 12.20 H new ATOM 0 HB2 GLU A 117 -4.395 -14.006 -5.366 1.00 63.23 H new ATOM 0 HB3 GLU A 117 -5.771 -14.984 -5.837 1.00 63.23 H new ATOM 0 HG2 GLU A 117 -5.636 -13.996 -8.137 1.00 13.35 H new ATOM 0 HG3 GLU A 117 -4.199 -13.121 -7.647 1.00 13.35 H new