USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 26 ASN : amide:sc= -0.0238 X(o=-0.064,f=-0.14) USER MOD Set 1.2: A 81 SER OG : rot 60:sc= -0.0405 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -159:sc=-0.00439 (180deg=-0.192) USER MOD Single : A 8 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc=-0.00828 X(o=-0.0083,f=-0.098) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -25:sc= 1.19 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= 0.162 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.293 K(o=0.29,f=-4.3!) USER MOD Single : A 41 SER OG : rot -42:sc= 0.152 USER MOD Single : A 42 SER OG : rot 149:sc= -0.287 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0753 K(o=-0.075,f=-1.3) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.8 K(o=-0.8,f=-7.5!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 66:sc= 1 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 160:sc= 0.228 USER MOD Single : A 77 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.98) USER MOD Single : A 80 SER OG : rot -175:sc= -1.35 USER MOD Single : A 85 SER OG : rot -14:sc= 0.747 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -162:sc=-0.000467 (180deg=-0.571) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 4.502 2.263 0.273 1.00 53.35 N ATOM 24 CA LYS A 3 4.586 3.718 0.217 1.00 35.13 C ATOM 25 C LYS A 3 5.868 4.214 0.878 1.00 53.53 C ATOM 26 O LYS A 3 5.832 5.074 1.759 1.00 23.33 O ATOM 27 CB LYS A 3 3.370 4.346 0.903 1.00 71.21 C ATOM 28 CG LYS A 3 3.093 3.783 2.286 1.00 24.41 C ATOM 29 CD LYS A 3 2.047 2.681 2.241 1.00 45.40 C ATOM 30 CE LYS A 3 2.273 1.653 3.339 1.00 51.21 C ATOM 31 NZ LYS A 3 1.451 1.942 4.546 1.00 34.24 N ATOM 0 HA LYS A 3 4.599 4.017 -0.831 1.00 35.13 H new ATOM 0 HB2 LYS A 3 3.524 5.422 0.982 1.00 71.21 H new ATOM 0 HB3 LYS A 3 2.491 4.195 0.276 1.00 71.21 H new ATOM 0 HG2 LYS A 3 4.017 3.392 2.712 1.00 24.41 H new ATOM 0 HG3 LYS A 3 2.752 4.583 2.944 1.00 24.41 H new ATOM 0 HD2 LYS A 3 1.053 3.116 2.348 1.00 45.40 H new ATOM 0 HD3 LYS A 3 2.077 2.189 1.269 1.00 45.40 H new ATOM 0 HE2 LYS A 3 2.029 0.660 2.962 1.00 51.21 H new ATOM 0 HE3 LYS A 3 3.328 1.640 3.613 1.00 51.21 H new ATOM 0 HZ1 LYS A 3 1.633 1.219 5.271 1.00 34.24 H new ATOM 0 HZ2 LYS A 3 1.702 2.879 4.920 1.00 34.24 H new ATOM 0 HZ3 LYS A 3 0.443 1.930 4.291 1.00 34.24 H new ATOM 45 N THR A 4 7.001 3.669 0.445 1.00 15.40 N ATOM 46 CA THR A 4 8.294 4.057 0.994 1.00 53.21 C ATOM 47 C THR A 4 9.383 3.999 -0.071 1.00 52.02 C ATOM 48 O THR A 4 9.143 3.559 -1.196 1.00 14.33 O ATOM 49 CB THR A 4 8.697 3.153 2.174 1.00 10.21 C ATOM 50 OG1 THR A 4 9.031 1.845 1.697 1.00 32.14 O ATOM 51 CG2 THR A 4 7.570 3.056 3.191 1.00 74.32 C ATOM 0 H THR A 4 7.049 2.958 -0.284 1.00 15.40 H new ATOM 0 HA THR A 4 8.192 5.082 1.350 1.00 53.21 H new ATOM 0 HB THR A 4 9.567 3.594 2.661 1.00 10.21 H new ATOM 0 HG1 THR A 4 9.288 1.277 2.453 1.00 32.14 H new ATOM 0 HG21 THR A 4 7.878 2.412 4.015 1.00 74.32 H new ATOM 0 HG22 THR A 4 7.339 4.050 3.574 1.00 74.32 H new ATOM 0 HG23 THR A 4 6.685 2.636 2.714 1.00 74.32 H new ATOM 59 N VAL A 5 10.582 4.445 0.290 1.00 32.11 N ATOM 60 CA VAL A 5 11.709 4.442 -0.635 1.00 21.24 C ATOM 61 C VAL A 5 12.825 3.530 -0.138 1.00 30.44 C ATOM 62 O VAL A 5 13.064 3.421 1.065 1.00 5.22 O ATOM 63 CB VAL A 5 12.273 5.861 -0.837 1.00 71.21 C ATOM 64 CG1 VAL A 5 12.538 6.527 0.505 1.00 65.55 C ATOM 65 CG2 VAL A 5 13.539 5.815 -1.679 1.00 40.40 C ATOM 0 H VAL A 5 10.798 4.813 1.216 1.00 32.11 H new ATOM 0 HA VAL A 5 11.335 4.068 -1.588 1.00 21.24 H new ATOM 0 HB VAL A 5 11.531 6.456 -1.370 1.00 71.21 H new ATOM 0 HG11 VAL A 5 12.936 7.529 0.342 1.00 65.55 H new ATOM 0 HG12 VAL A 5 11.607 6.594 1.068 1.00 65.55 H new ATOM 0 HG13 VAL A 5 13.261 5.936 1.068 1.00 65.55 H new ATOM 0 HG21 VAL A 5 13.924 6.826 -1.812 1.00 40.40 H new ATOM 0 HG22 VAL A 5 14.289 5.204 -1.176 1.00 40.40 H new ATOM 0 HG23 VAL A 5 13.312 5.382 -2.653 1.00 40.40 H new ATOM 75 N LYS A 6 13.506 2.875 -1.072 1.00 23.44 N ATOM 76 CA LYS A 6 14.599 1.972 -0.730 1.00 63.04 C ATOM 77 C LYS A 6 15.925 2.491 -1.278 1.00 11.42 C ATOM 78 O LYS A 6 16.086 2.657 -2.488 1.00 3.54 O ATOM 79 CB LYS A 6 14.322 0.571 -1.281 1.00 10.23 C ATOM 80 CG LYS A 6 13.233 -0.174 -0.528 1.00 4.35 C ATOM 81 CD LYS A 6 12.956 -1.533 -1.148 1.00 4.14 C ATOM 82 CE LYS A 6 11.519 -1.641 -1.634 1.00 63.21 C ATOM 83 NZ LYS A 6 10.545 -1.529 -0.514 1.00 34.21 N ATOM 0 H LYS A 6 13.320 2.952 -2.072 1.00 23.44 H new ATOM 0 HA LYS A 6 14.669 1.922 0.357 1.00 63.04 H new ATOM 0 HB2 LYS A 6 14.037 0.652 -2.330 1.00 10.23 H new ATOM 0 HB3 LYS A 6 15.242 -0.013 -1.245 1.00 10.23 H new ATOM 0 HG2 LYS A 6 13.531 -0.302 0.513 1.00 4.35 H new ATOM 0 HG3 LYS A 6 12.319 0.420 -0.527 1.00 4.35 H new ATOM 0 HD2 LYS A 6 13.637 -1.699 -1.983 1.00 4.14 H new ATOM 0 HD3 LYS A 6 13.153 -2.315 -0.415 1.00 4.14 H new ATOM 0 HE2 LYS A 6 11.323 -0.857 -2.365 1.00 63.21 H new ATOM 0 HE3 LYS A 6 11.379 -2.594 -2.143 1.00 63.21 H new ATOM 0 HZ1 LYS A 6 9.638 -1.949 -0.800 1.00 34.21 H new ATOM 0 HZ2 LYS A 6 10.913 -2.033 0.318 1.00 34.21 H new ATOM 0 HZ3 LYS A 6 10.403 -0.527 -0.276 1.00 34.21 H new ATOM 97 N LEU A 7 16.871 2.745 -0.381 1.00 4.01 N ATOM 98 CA LEU A 7 18.184 3.244 -0.774 1.00 44.24 C ATOM 99 C LEU A 7 19.279 2.247 -0.407 1.00 13.34 C ATOM 100 O LEU A 7 19.244 1.638 0.663 1.00 53.21 O ATOM 101 CB LEU A 7 18.461 4.592 -0.106 1.00 32.03 C ATOM 102 CG LEU A 7 18.327 5.825 -1.000 1.00 64.13 C ATOM 103 CD1 LEU A 7 16.900 6.349 -0.977 1.00 41.31 C ATOM 104 CD2 LEU A 7 19.303 6.908 -0.564 1.00 13.51 C ATOM 0 H LEU A 7 16.753 2.614 0.624 1.00 4.01 H new ATOM 0 HA LEU A 7 18.186 3.375 -1.856 1.00 44.24 H new ATOM 0 HB2 LEU A 7 17.779 4.704 0.737 1.00 32.03 H new ATOM 0 HB3 LEU A 7 19.472 4.572 0.302 1.00 32.03 H new ATOM 0 HG LEU A 7 18.569 5.537 -2.023 1.00 64.13 H new ATOM 0 HD11 LEU A 7 16.824 7.227 -1.619 1.00 41.31 H new ATOM 0 HD12 LEU A 7 16.222 5.575 -1.338 1.00 41.31 H new ATOM 0 HD13 LEU A 7 16.629 6.621 0.043 1.00 41.31 H new ATOM 0 HD21 LEU A 7 19.194 7.778 -1.211 1.00 13.51 H new ATOM 0 HD22 LEU A 7 19.093 7.194 0.467 1.00 13.51 H new ATOM 0 HD23 LEU A 7 20.323 6.529 -0.635 1.00 13.51 H new ATOM 116 N TYR A 8 20.250 2.087 -1.298 1.00 41.53 N ATOM 117 CA TYR A 8 21.355 1.164 -1.068 1.00 10.42 C ATOM 118 C TYR A 8 22.692 1.825 -1.388 1.00 5.05 C ATOM 119 O TYR A 8 22.794 2.629 -2.313 1.00 53.24 O ATOM 120 CB TYR A 8 21.180 -0.096 -1.917 1.00 50.31 C ATOM 121 CG TYR A 8 19.765 -0.629 -1.924 1.00 63.35 C ATOM 122 CD1 TYR A 8 18.818 -0.131 -2.811 1.00 23.04 C ATOM 123 CD2 TYR A 8 19.376 -1.633 -1.046 1.00 10.23 C ATOM 124 CE1 TYR A 8 17.525 -0.615 -2.820 1.00 74.11 C ATOM 125 CE2 TYR A 8 18.085 -2.124 -1.049 1.00 53.02 C ATOM 126 CZ TYR A 8 17.163 -1.612 -1.938 1.00 13.42 C ATOM 127 OH TYR A 8 15.875 -2.098 -1.945 1.00 43.52 O ATOM 0 H TYR A 8 20.295 2.585 -2.187 1.00 41.53 H new ATOM 0 HA TYR A 8 21.350 0.887 -0.014 1.00 10.42 H new ATOM 0 HB2 TYR A 8 21.483 0.121 -2.941 1.00 50.31 H new ATOM 0 HB3 TYR A 8 21.850 -0.871 -1.544 1.00 50.31 H new ATOM 0 HD1 TYR A 8 19.098 0.648 -3.505 1.00 23.04 H new ATOM 0 HD2 TYR A 8 20.096 -2.037 -0.349 1.00 10.23 H new ATOM 0 HE1 TYR A 8 16.801 -0.215 -3.514 1.00 74.11 H new ATOM 0 HE2 TYR A 8 17.799 -2.904 -0.359 1.00 53.02 H new ATOM 0 HH TYR A 8 15.785 -2.797 -1.264 1.00 43.52 H new ATOM 137 N GLU A 9 23.716 1.478 -0.614 1.00 4.12 N ATOM 138 CA GLU A 9 25.048 2.037 -0.814 1.00 41.31 C ATOM 139 C GLU A 9 25.725 1.409 -2.029 1.00 11.01 C ATOM 140 O GLU A 9 26.477 2.070 -2.745 1.00 4.22 O ATOM 141 CB GLU A 9 25.909 1.821 0.432 1.00 21.40 C ATOM 142 CG GLU A 9 26.294 0.369 0.661 1.00 61.31 C ATOM 143 CD GLU A 9 26.313 -0.005 2.130 1.00 30.24 C ATOM 144 OE1 GLU A 9 25.412 0.446 2.868 1.00 33.32 O ATOM 145 OE2 GLU A 9 27.228 -0.748 2.543 1.00 43.34 O ATOM 0 H GLU A 9 23.649 0.813 0.157 1.00 4.12 H new ATOM 0 HA GLU A 9 24.942 3.107 -0.992 1.00 41.31 H new ATOM 0 HB2 GLU A 9 26.816 2.419 0.345 1.00 21.40 H new ATOM 0 HB3 GLU A 9 25.368 2.187 1.305 1.00 21.40 H new ATOM 0 HG2 GLU A 9 25.591 -0.277 0.135 1.00 61.31 H new ATOM 0 HG3 GLU A 9 27.279 0.186 0.231 1.00 61.31 H new ATOM 152 N ASP A 10 25.452 0.129 -2.254 1.00 62.42 N ATOM 153 CA ASP A 10 26.034 -0.590 -3.382 1.00 73.11 C ATOM 154 C ASP A 10 25.169 -0.435 -4.629 1.00 71.12 C ATOM 155 O ASP A 10 23.944 -0.339 -4.541 1.00 63.15 O ATOM 156 CB ASP A 10 26.197 -2.072 -3.041 1.00 1.15 C ATOM 157 CG ASP A 10 27.631 -2.544 -3.183 1.00 34.22 C ATOM 158 OD1 ASP A 10 28.439 -2.267 -2.273 1.00 22.15 O ATOM 159 OD2 ASP A 10 27.944 -3.190 -4.205 1.00 23.22 O ATOM 0 H ASP A 10 24.832 -0.432 -1.671 1.00 62.42 H new ATOM 0 HA ASP A 10 27.016 -0.162 -3.586 1.00 73.11 H new ATOM 0 HB2 ASP A 10 25.860 -2.246 -2.019 1.00 1.15 H new ATOM 0 HB3 ASP A 10 25.556 -2.665 -3.694 1.00 1.15 H new ATOM 164 N THR A 11 25.814 -0.410 -5.791 1.00 61.34 N ATOM 165 CA THR A 11 25.105 -0.265 -7.056 1.00 41.43 C ATOM 166 C THR A 11 24.066 -1.365 -7.234 1.00 33.51 C ATOM 167 O THR A 11 24.047 -2.342 -6.484 1.00 34.10 O ATOM 168 CB THR A 11 26.076 -0.294 -8.251 1.00 44.24 C ATOM 169 OG1 THR A 11 26.569 -1.624 -8.450 1.00 51.41 O ATOM 170 CG2 THR A 11 27.243 0.656 -8.024 1.00 31.20 C ATOM 0 H THR A 11 26.827 -0.488 -5.882 1.00 61.34 H new ATOM 0 HA THR A 11 24.604 0.703 -7.027 1.00 41.43 H new ATOM 0 HB THR A 11 25.533 0.029 -9.139 1.00 44.24 H new ATOM 0 HG1 THR A 11 27.184 -1.634 -9.213 1.00 51.41 H new ATOM 0 HG21 THR A 11 27.915 0.618 -8.881 1.00 31.20 H new ATOM 0 HG22 THR A 11 26.867 1.672 -7.902 1.00 31.20 H new ATOM 0 HG23 THR A 11 27.784 0.359 -7.125 1.00 31.20 H new ATOM 178 N HIS A 12 23.202 -1.202 -8.231 1.00 61.32 N ATOM 179 CA HIS A 12 22.160 -2.184 -8.508 1.00 75.20 C ATOM 180 C HIS A 12 21.150 -2.242 -7.365 1.00 42.34 C ATOM 181 O HIS A 12 20.086 -1.627 -7.432 1.00 54.33 O ATOM 182 CB HIS A 12 22.776 -3.566 -8.729 1.00 43.42 C ATOM 183 CG HIS A 12 22.817 -3.980 -10.168 1.00 4.11 C ATOM 184 ND1 HIS A 12 23.193 -3.129 -11.186 1.00 11.23 N ATOM 185 CD2 HIS A 12 22.529 -5.164 -10.757 1.00 12.02 C ATOM 186 CE1 HIS A 12 23.132 -3.771 -12.339 1.00 12.14 C ATOM 187 NE2 HIS A 12 22.732 -5.008 -12.106 1.00 11.01 N ATOM 0 H HIS A 12 23.203 -0.399 -8.860 1.00 61.32 H new ATOM 0 HA HIS A 12 21.639 -1.877 -9.415 1.00 75.20 H new ATOM 0 HB2 HIS A 12 23.790 -3.571 -8.329 1.00 43.42 H new ATOM 0 HB3 HIS A 12 22.206 -4.303 -8.163 1.00 43.42 H new ATOM 0 HD2 HIS A 12 22.201 -6.064 -10.259 1.00 12.02 H new ATOM 0 HE1 HIS A 12 23.369 -3.355 -13.307 1.00 12.14 H new ATOM 0 HE2 HIS A 12 22.596 -5.730 -12.813 1.00 11.01 H new ATOM 195 N PHE A 13 21.491 -2.985 -6.318 1.00 4.32 N ATOM 196 CA PHE A 13 20.614 -3.124 -5.161 1.00 63.01 C ATOM 197 C PHE A 13 21.303 -3.908 -4.048 1.00 34.41 C ATOM 198 O PHE A 13 20.650 -4.596 -3.262 1.00 65.43 O ATOM 199 CB PHE A 13 19.313 -3.822 -5.562 1.00 52.54 C ATOM 200 CG PHE A 13 19.524 -5.040 -6.415 1.00 10.01 C ATOM 201 CD1 PHE A 13 20.007 -6.214 -5.860 1.00 73.44 C ATOM 202 CD2 PHE A 13 19.239 -5.011 -7.771 1.00 22.15 C ATOM 203 CE1 PHE A 13 20.203 -7.337 -6.643 1.00 14.31 C ATOM 204 CE2 PHE A 13 19.433 -6.130 -8.558 1.00 74.50 C ATOM 205 CZ PHE A 13 19.914 -7.295 -7.993 1.00 60.10 C ATOM 0 H PHE A 13 22.368 -3.500 -6.247 1.00 4.32 H new ATOM 0 HA PHE A 13 20.383 -2.126 -4.789 1.00 63.01 H new ATOM 0 HB2 PHE A 13 18.771 -4.109 -4.661 1.00 52.54 H new ATOM 0 HB3 PHE A 13 18.682 -3.115 -6.101 1.00 52.54 H new ATOM 0 HD1 PHE A 13 20.233 -6.253 -4.805 1.00 73.44 H new ATOM 0 HD2 PHE A 13 18.861 -4.103 -8.218 1.00 22.15 H new ATOM 0 HE1 PHE A 13 20.582 -8.246 -6.199 1.00 14.31 H new ATOM 0 HE2 PHE A 13 19.209 -6.094 -9.614 1.00 74.50 H new ATOM 0 HZ PHE A 13 20.064 -8.172 -8.606 1.00 60.10 H new ATOM 215 N LYS A 14 22.625 -3.800 -3.987 1.00 65.20 N ATOM 216 CA LYS A 14 23.405 -4.498 -2.971 1.00 13.41 C ATOM 217 C LYS A 14 23.771 -3.558 -1.826 1.00 62.15 C ATOM 218 O LYS A 14 23.545 -2.351 -1.904 1.00 75.43 O ATOM 219 CB LYS A 14 24.675 -5.087 -3.588 1.00 42.52 C ATOM 220 CG LYS A 14 24.505 -6.511 -4.086 1.00 25.51 C ATOM 221 CD LYS A 14 23.792 -6.553 -5.427 1.00 14.44 C ATOM 222 CE LYS A 14 24.547 -7.405 -6.435 1.00 3.15 C ATOM 223 NZ LYS A 14 25.664 -6.652 -7.071 1.00 33.42 N ATOM 0 H LYS A 14 23.180 -3.235 -4.630 1.00 65.20 H new ATOM 0 HA LYS A 14 22.794 -5.308 -2.572 1.00 13.41 H new ATOM 0 HB2 LYS A 14 24.992 -4.456 -4.418 1.00 42.52 H new ATOM 0 HB3 LYS A 14 25.474 -5.063 -2.847 1.00 42.52 H new ATOM 0 HG2 LYS A 14 25.483 -6.984 -4.178 1.00 25.51 H new ATOM 0 HG3 LYS A 14 23.939 -7.088 -3.354 1.00 25.51 H new ATOM 0 HD2 LYS A 14 22.787 -6.952 -5.293 1.00 14.44 H new ATOM 0 HD3 LYS A 14 23.684 -5.540 -5.814 1.00 14.44 H new ATOM 0 HE2 LYS A 14 24.943 -8.291 -5.938 1.00 3.15 H new ATOM 0 HE3 LYS A 14 23.858 -7.753 -7.205 1.00 3.15 H new ATOM 0 HZ1 LYS A 14 26.154 -7.267 -7.752 1.00 33.42 H new ATOM 0 HZ2 LYS A 14 25.284 -5.820 -7.567 1.00 33.42 H new ATOM 0 HZ3 LYS A 14 26.335 -6.342 -6.339 1.00 33.42 H new ATOM 237 N GLY A 15 24.341 -4.120 -0.764 1.00 73.14 N ATOM 238 CA GLY A 15 24.731 -3.317 0.380 1.00 34.40 C ATOM 239 C GLY A 15 23.586 -3.093 1.348 1.00 54.44 C ATOM 240 O GLY A 15 22.501 -3.650 1.177 1.00 50.41 O ATOM 0 H GLY A 15 24.539 -5.117 -0.676 1.00 73.14 H new ATOM 0 HA2 GLY A 15 25.553 -3.808 0.901 1.00 34.40 H new ATOM 0 HA3 GLY A 15 25.104 -2.353 0.033 1.00 34.40 H new ATOM 244 N TYR A 16 23.827 -2.276 2.367 1.00 14.20 N ATOM 245 CA TYR A 16 22.808 -1.982 3.368 1.00 22.03 C ATOM 246 C TYR A 16 21.619 -1.261 2.741 1.00 43.24 C ATOM 247 O TYR A 16 21.753 -0.601 1.710 1.00 12.53 O ATOM 248 CB TYR A 16 23.400 -1.131 4.493 1.00 14.31 C ATOM 249 CG TYR A 16 22.666 -1.270 5.808 1.00 61.32 C ATOM 250 CD1 TYR A 16 22.759 -2.437 6.557 1.00 74.13 C ATOM 251 CD2 TYR A 16 21.880 -0.236 6.301 1.00 71.32 C ATOM 252 CE1 TYR A 16 22.090 -2.570 7.758 1.00 13.32 C ATOM 253 CE2 TYR A 16 21.209 -0.359 7.502 1.00 73.51 C ATOM 254 CZ TYR A 16 21.317 -1.528 8.227 1.00 55.03 C ATOM 255 OH TYR A 16 20.648 -1.655 9.423 1.00 63.10 O ATOM 0 H TYR A 16 24.719 -1.806 2.522 1.00 14.20 H new ATOM 0 HA TYR A 16 22.458 -2.928 3.782 1.00 22.03 H new ATOM 0 HB2 TYR A 16 24.444 -1.410 4.638 1.00 14.31 H new ATOM 0 HB3 TYR A 16 23.389 -0.084 4.189 1.00 14.31 H new ATOM 0 HD1 TYR A 16 23.365 -3.254 6.194 1.00 74.13 H new ATOM 0 HD2 TYR A 16 21.792 0.680 5.735 1.00 71.32 H new ATOM 0 HE1 TYR A 16 22.172 -3.485 8.327 1.00 13.32 H new ATOM 0 HE2 TYR A 16 20.603 0.455 7.872 1.00 73.51 H new ATOM 0 HH TYR A 16 20.151 -0.831 9.609 1.00 63.10 H new ATOM 265 N SER A 17 20.456 -1.392 3.371 1.00 42.05 N ATOM 266 CA SER A 17 19.242 -0.756 2.874 1.00 73.15 C ATOM 267 C SER A 17 18.713 0.264 3.877 1.00 11.12 C ATOM 268 O SER A 17 18.773 0.050 5.088 1.00 25.00 O ATOM 269 CB SER A 17 18.170 -1.809 2.587 1.00 71.41 C ATOM 270 OG SER A 17 18.383 -2.977 3.361 1.00 72.34 O ATOM 0 H SER A 17 20.329 -1.933 4.226 1.00 42.05 H new ATOM 0 HA SER A 17 19.487 -0.236 1.948 1.00 73.15 H new ATOM 0 HB2 SER A 17 17.184 -1.398 2.806 1.00 71.41 H new ATOM 0 HB3 SER A 17 18.181 -2.064 1.527 1.00 71.41 H new ATOM 0 HG SER A 17 17.684 -3.634 3.161 1.00 72.34 H new ATOM 276 N VAL A 18 18.194 1.375 3.364 1.00 11.24 N ATOM 277 CA VAL A 18 17.653 2.429 4.214 1.00 11.31 C ATOM 278 C VAL A 18 16.345 2.973 3.650 1.00 31.32 C ATOM 279 O VAL A 18 16.223 3.199 2.447 1.00 64.22 O ATOM 280 CB VAL A 18 18.652 3.590 4.373 1.00 3.42 C ATOM 281 CG1 VAL A 18 18.798 4.352 3.065 1.00 44.41 C ATOM 282 CG2 VAL A 18 18.214 4.520 5.495 1.00 25.21 C ATOM 0 H VAL A 18 18.137 1.568 2.364 1.00 11.24 H new ATOM 0 HA VAL A 18 17.467 1.983 5.191 1.00 11.31 H new ATOM 0 HB VAL A 18 19.625 3.175 4.635 1.00 3.42 H new ATOM 0 HG11 VAL A 18 19.508 5.169 3.197 1.00 44.41 H new ATOM 0 HG12 VAL A 18 19.161 3.677 2.289 1.00 44.41 H new ATOM 0 HG13 VAL A 18 17.830 4.757 2.770 1.00 44.41 H new ATOM 0 HG21 VAL A 18 18.931 5.335 5.593 1.00 25.21 H new ATOM 0 HG22 VAL A 18 17.230 4.929 5.265 1.00 25.21 H new ATOM 0 HG23 VAL A 18 18.166 3.964 6.431 1.00 25.21 H new ATOM 292 N GLU A 19 15.369 3.180 4.529 1.00 50.53 N ATOM 293 CA GLU A 19 14.069 3.698 4.117 1.00 21.53 C ATOM 294 C GLU A 19 13.810 5.069 4.733 1.00 15.42 C ATOM 295 O GLU A 19 14.194 5.334 5.873 1.00 31.42 O ATOM 296 CB GLU A 19 12.958 2.726 4.522 1.00 51.44 C ATOM 297 CG GLU A 19 12.773 2.604 6.025 1.00 44.22 C ATOM 298 CD GLU A 19 13.823 1.721 6.672 1.00 53.14 C ATOM 299 OE1 GLU A 19 14.265 0.751 6.022 1.00 74.31 O ATOM 300 OE2 GLU A 19 14.202 2.001 7.828 1.00 1.40 O ATOM 0 H GLU A 19 15.453 2.997 5.529 1.00 50.53 H new ATOM 0 HA GLU A 19 14.074 3.802 3.032 1.00 21.53 H new ATOM 0 HB2 GLU A 19 12.020 3.053 4.074 1.00 51.44 H new ATOM 0 HB3 GLU A 19 13.181 1.741 4.111 1.00 51.44 H new ATOM 0 HG2 GLU A 19 12.812 3.597 6.474 1.00 44.22 H new ATOM 0 HG3 GLU A 19 11.783 2.198 6.234 1.00 44.22 H new ATOM 307 N LEU A 20 13.156 5.939 3.971 1.00 14.12 N ATOM 308 CA LEU A 20 12.844 7.285 4.440 1.00 23.25 C ATOM 309 C LEU A 20 11.520 7.771 3.860 1.00 2.22 C ATOM 310 O LEU A 20 11.435 8.183 2.703 1.00 62.41 O ATOM 311 CB LEU A 20 13.967 8.251 4.059 1.00 11.55 C ATOM 312 CG LEU A 20 14.957 7.749 3.008 1.00 52.53 C ATOM 313 CD1 LEU A 20 15.563 8.917 2.245 1.00 52.13 C ATOM 314 CD2 LEU A 20 16.048 6.912 3.659 1.00 74.22 C ATOM 0 H LEU A 20 12.831 5.736 3.025 1.00 14.12 H new ATOM 0 HA LEU A 20 12.753 7.253 5.526 1.00 23.25 H new ATOM 0 HB2 LEU A 20 13.517 9.174 3.693 1.00 11.55 H new ATOM 0 HB3 LEU A 20 14.523 8.504 4.962 1.00 11.55 H new ATOM 0 HG LEU A 20 14.418 7.119 2.300 1.00 52.53 H new ATOM 0 HD11 LEU A 20 16.265 8.541 1.501 1.00 52.13 H new ATOM 0 HD12 LEU A 20 14.771 9.476 1.746 1.00 52.13 H new ATOM 0 HD13 LEU A 20 16.088 9.573 2.940 1.00 52.13 H new ATOM 0 HD21 LEU A 20 16.743 6.563 2.896 1.00 74.22 H new ATOM 0 HD22 LEU A 20 16.585 7.518 4.389 1.00 74.22 H new ATOM 0 HD23 LEU A 20 15.599 6.054 4.159 1.00 74.22 H new ATOM 326 N PRO A 21 10.461 7.726 4.682 1.00 23.23 N ATOM 327 CA PRO A 21 9.122 8.161 4.273 1.00 24.42 C ATOM 328 C PRO A 21 9.036 9.671 4.086 1.00 53.44 C ATOM 329 O PRO A 21 9.998 10.395 4.342 1.00 13.35 O ATOM 330 CB PRO A 21 8.234 7.714 5.437 1.00 53.41 C ATOM 331 CG PRO A 21 9.147 7.660 6.612 1.00 4.13 C ATOM 332 CD PRO A 21 10.490 7.247 6.075 1.00 54.25 C ATOM 0 HA PRO A 21 8.832 7.739 3.311 1.00 24.42 H new ATOM 0 HB2 PRO A 21 7.416 8.416 5.603 1.00 53.41 H new ATOM 0 HB3 PRO A 21 7.784 6.741 5.240 1.00 53.41 H new ATOM 0 HG2 PRO A 21 9.206 8.630 7.105 1.00 4.13 H new ATOM 0 HG3 PRO A 21 8.787 6.947 7.353 1.00 4.13 H new ATOM 0 HD2 PRO A 21 11.305 7.700 6.639 1.00 54.25 H new ATOM 0 HD3 PRO A 21 10.629 6.167 6.126 1.00 54.25 H new ATOM 340 N VAL A 22 7.876 10.142 3.636 1.00 24.23 N ATOM 341 CA VAL A 22 7.664 11.567 3.416 1.00 54.22 C ATOM 342 C VAL A 22 8.346 12.398 4.496 1.00 4.41 C ATOM 343 O VAL A 22 8.022 12.287 5.678 1.00 65.43 O ATOM 344 CB VAL A 22 6.163 11.913 3.389 1.00 11.11 C ATOM 345 CG1 VAL A 22 5.475 11.403 4.646 1.00 12.42 C ATOM 346 CG2 VAL A 22 5.965 13.413 3.234 1.00 1.52 C ATOM 0 H VAL A 22 7.070 9.557 3.417 1.00 24.23 H new ATOM 0 HA VAL A 22 8.103 11.806 2.447 1.00 54.22 H new ATOM 0 HB VAL A 22 5.709 11.419 2.530 1.00 11.11 H new ATOM 0 HG11 VAL A 22 4.416 11.657 4.609 1.00 12.42 H new ATOM 0 HG12 VAL A 22 5.587 10.321 4.708 1.00 12.42 H new ATOM 0 HG13 VAL A 22 5.929 11.866 5.522 1.00 12.42 H new ATOM 0 HG21 VAL A 22 4.899 13.639 3.217 1.00 1.52 H new ATOM 0 HG22 VAL A 22 6.432 13.930 4.072 1.00 1.52 H new ATOM 0 HG23 VAL A 22 6.422 13.746 2.302 1.00 1.52 H new ATOM 356 N GLY A 23 9.294 13.234 4.082 1.00 63.21 N ATOM 357 CA GLY A 23 10.008 14.073 5.027 1.00 63.34 C ATOM 358 C GLY A 23 11.392 14.451 4.536 1.00 54.12 C ATOM 359 O GLY A 23 11.829 13.995 3.480 1.00 63.55 O ATOM 0 H GLY A 23 9.580 13.345 3.109 1.00 63.21 H new ATOM 0 HA2 GLY A 23 9.431 14.979 5.212 1.00 63.34 H new ATOM 0 HA3 GLY A 23 10.094 13.550 5.980 1.00 63.34 H new ATOM 363 N ASP A 24 12.081 15.289 5.302 1.00 31.24 N ATOM 364 CA ASP A 24 13.423 15.729 4.939 1.00 11.34 C ATOM 365 C ASP A 24 14.445 15.265 5.972 1.00 63.42 C ATOM 366 O ASP A 24 14.164 15.238 7.170 1.00 22.32 O ATOM 367 CB ASP A 24 13.465 17.253 4.811 1.00 24.22 C ATOM 368 CG ASP A 24 12.444 17.937 5.698 1.00 1.23 C ATOM 369 OD1 ASP A 24 12.773 18.227 6.868 1.00 40.22 O ATOM 370 OD2 ASP A 24 11.316 18.184 5.223 1.00 62.52 O ATOM 0 H ASP A 24 11.732 15.677 6.178 1.00 31.24 H new ATOM 0 HA ASP A 24 13.677 15.284 3.977 1.00 11.34 H new ATOM 0 HB2 ASP A 24 14.462 17.609 5.069 1.00 24.22 H new ATOM 0 HB3 ASP A 24 13.285 17.533 3.773 1.00 24.22 H new ATOM 375 N TYR A 25 15.631 14.899 5.499 1.00 64.31 N ATOM 376 CA TYR A 25 16.695 14.431 6.380 1.00 13.44 C ATOM 377 C TYR A 25 17.999 15.172 6.101 1.00 70.23 C ATOM 378 O TYR A 25 18.383 15.361 4.947 1.00 10.35 O ATOM 379 CB TYR A 25 16.903 12.926 6.209 1.00 21.21 C ATOM 380 CG TYR A 25 15.613 12.143 6.113 1.00 21.01 C ATOM 381 CD1 TYR A 25 14.855 12.156 4.949 1.00 61.34 C ATOM 382 CD2 TYR A 25 15.152 11.392 7.187 1.00 72.42 C ATOM 383 CE1 TYR A 25 13.675 11.443 4.856 1.00 24.44 C ATOM 384 CE2 TYR A 25 13.974 10.674 7.103 1.00 2.30 C ATOM 385 CZ TYR A 25 13.239 10.703 5.936 1.00 5.10 C ATOM 386 OH TYR A 25 12.065 9.991 5.849 1.00 1.12 O ATOM 0 H TYR A 25 15.880 14.917 4.510 1.00 64.31 H new ATOM 0 HA TYR A 25 16.396 14.634 7.408 1.00 13.44 H new ATOM 0 HB2 TYR A 25 17.493 12.749 5.310 1.00 21.21 H new ATOM 0 HB3 TYR A 25 17.484 12.550 7.051 1.00 21.21 H new ATOM 0 HD1 TYR A 25 15.194 12.734 4.102 1.00 61.34 H new ATOM 0 HD2 TYR A 25 15.724 11.369 8.103 1.00 72.42 H new ATOM 0 HE1 TYR A 25 13.098 11.465 3.944 1.00 24.44 H new ATOM 0 HE2 TYR A 25 13.631 10.093 7.946 1.00 2.30 H new ATOM 0 HH TYR A 25 11.481 10.404 5.180 1.00 1.12 H new ATOM 396 N ASN A 26 18.676 15.588 7.166 1.00 32.33 N ATOM 397 CA ASN A 26 19.938 16.308 7.037 1.00 34.51 C ATOM 398 C ASN A 26 21.123 15.360 7.197 1.00 40.52 C ATOM 399 O ASN A 26 20.959 14.140 7.210 1.00 62.31 O ATOM 400 CB ASN A 26 20.020 17.426 8.078 1.00 32.54 C ATOM 401 CG ASN A 26 18.738 18.232 8.163 1.00 45.31 C ATOM 402 OD1 ASN A 26 18.200 18.450 9.248 1.00 15.21 O ATOM 403 ND2 ASN A 26 18.244 18.680 7.014 1.00 23.44 N ATOM 0 H ASN A 26 18.372 15.439 8.128 1.00 32.33 H new ATOM 0 HA ASN A 26 19.978 16.746 6.040 1.00 34.51 H new ATOM 0 HB2 ASN A 26 20.240 16.994 9.054 1.00 32.54 H new ATOM 0 HB3 ASN A 26 20.848 18.090 7.829 1.00 32.54 H new ATOM 0 HD21 ASN A 26 17.385 19.229 7.008 1.00 23.44 H new ATOM 0 HD22 ASN A 26 18.724 18.475 6.138 1.00 23.44 H new ATOM 410 N LEU A 27 22.317 15.931 7.319 1.00 75.14 N ATOM 411 CA LEU A 27 23.531 15.138 7.478 1.00 13.15 C ATOM 412 C LEU A 27 23.445 14.255 8.719 1.00 71.30 C ATOM 413 O LEU A 27 23.796 13.076 8.679 1.00 33.50 O ATOM 414 CB LEU A 27 24.752 16.054 7.574 1.00 63.31 C ATOM 415 CG LEU A 27 26.016 15.428 8.166 1.00 74.21 C ATOM 416 CD1 LEU A 27 27.235 15.801 7.337 1.00 11.01 C ATOM 417 CD2 LEU A 27 26.199 15.862 9.613 1.00 55.43 C ATOM 0 H LEU A 27 22.470 16.939 7.311 1.00 75.14 H new ATOM 0 HA LEU A 27 23.634 14.496 6.604 1.00 13.15 H new ATOM 0 HB2 LEU A 27 24.986 16.420 6.574 1.00 63.31 H new ATOM 0 HB3 LEU A 27 24.484 16.922 8.177 1.00 63.31 H new ATOM 0 HG LEU A 27 25.906 14.344 8.144 1.00 74.21 H new ATOM 0 HD11 LEU A 27 28.125 15.347 7.773 1.00 11.01 H new ATOM 0 HD12 LEU A 27 27.106 15.439 6.317 1.00 11.01 H new ATOM 0 HD13 LEU A 27 27.350 16.885 7.326 1.00 11.01 H new ATOM 0 HD21 LEU A 27 27.103 15.407 10.018 1.00 55.43 H new ATOM 0 HD22 LEU A 27 26.287 16.947 9.659 1.00 55.43 H new ATOM 0 HD23 LEU A 27 25.338 15.543 10.200 1.00 55.43 H new ATOM 429 N SER A 28 22.974 14.833 9.819 1.00 21.24 N ATOM 430 CA SER A 28 22.843 14.099 11.072 1.00 23.45 C ATOM 431 C SER A 28 21.724 13.066 10.983 1.00 62.54 C ATOM 432 O SER A 28 21.818 11.981 11.556 1.00 23.45 O ATOM 433 CB SER A 28 22.570 15.064 12.228 1.00 61.14 C ATOM 434 OG SER A 28 23.674 15.124 13.114 1.00 42.12 O ATOM 0 H SER A 28 22.677 15.807 9.868 1.00 21.24 H new ATOM 0 HA SER A 28 23.782 13.577 11.257 1.00 23.45 H new ATOM 0 HB2 SER A 28 22.362 16.059 11.834 1.00 61.14 H new ATOM 0 HB3 SER A 28 21.681 14.744 12.771 1.00 61.14 H new ATOM 0 HG SER A 28 23.475 15.748 13.843 1.00 42.12 H new ATOM 440 N SER A 29 20.665 13.411 10.258 1.00 40.42 N ATOM 441 CA SER A 29 19.525 12.517 10.095 1.00 61.31 C ATOM 442 C SER A 29 19.922 11.268 9.313 1.00 11.10 C ATOM 443 O SER A 29 19.347 10.195 9.500 1.00 11.04 O ATOM 444 CB SER A 29 18.382 13.238 9.379 1.00 14.43 C ATOM 445 OG SER A 29 18.064 14.458 10.027 1.00 52.10 O ATOM 0 H SER A 29 20.573 14.304 9.774 1.00 40.42 H new ATOM 0 HA SER A 29 19.189 12.213 11.086 1.00 61.31 H new ATOM 0 HB2 SER A 29 18.663 13.434 8.344 1.00 14.43 H new ATOM 0 HB3 SER A 29 17.502 12.596 9.354 1.00 14.43 H new ATOM 0 HG SER A 29 17.235 14.822 9.651 1.00 52.10 H new ATOM 451 N LEU A 30 20.908 11.416 8.436 1.00 45.02 N ATOM 452 CA LEU A 30 21.384 10.301 7.624 1.00 11.10 C ATOM 453 C LEU A 30 21.937 9.184 8.503 1.00 35.04 C ATOM 454 O LEU A 30 21.596 8.014 8.325 1.00 52.22 O ATOM 455 CB LEU A 30 22.461 10.778 6.648 1.00 23.14 C ATOM 456 CG LEU A 30 21.959 11.390 5.340 1.00 31.03 C ATOM 457 CD1 LEU A 30 23.011 12.311 4.743 1.00 65.10 C ATOM 458 CD2 LEU A 30 21.580 10.297 4.351 1.00 2.41 C ATOM 0 H LEU A 30 21.394 12.297 8.269 1.00 45.02 H new ATOM 0 HA LEU A 30 20.538 9.909 7.059 1.00 11.10 H new ATOM 0 HB2 LEU A 30 23.082 11.516 7.156 1.00 23.14 H new ATOM 0 HB3 LEU A 30 23.104 9.932 6.406 1.00 23.14 H new ATOM 0 HG LEU A 30 21.069 11.981 5.556 1.00 31.03 H new ATOM 0 HD11 LEU A 30 22.636 12.737 3.813 1.00 65.10 H new ATOM 0 HD12 LEU A 30 23.233 13.114 5.446 1.00 65.10 H new ATOM 0 HD13 LEU A 30 23.919 11.743 4.542 1.00 65.10 H new ATOM 0 HD21 LEU A 30 21.225 10.751 3.426 1.00 2.41 H new ATOM 0 HD22 LEU A 30 22.452 9.678 4.140 1.00 2.41 H new ATOM 0 HD23 LEU A 30 20.791 9.678 4.778 1.00 2.41 H new ATOM 470 N ILE A 31 22.789 9.553 9.454 1.00 72.24 N ATOM 471 CA ILE A 31 23.385 8.582 10.363 1.00 44.13 C ATOM 472 C ILE A 31 22.404 8.180 11.459 1.00 45.40 C ATOM 473 O ILE A 31 22.481 7.078 12.001 1.00 20.02 O ATOM 474 CB ILE A 31 24.667 9.134 11.014 1.00 43.33 C ATOM 475 CG1 ILE A 31 25.703 9.477 9.941 1.00 63.20 C ATOM 476 CG2 ILE A 31 25.235 8.128 12.003 1.00 34.25 C ATOM 477 CD1 ILE A 31 25.538 10.865 9.363 1.00 61.34 C ATOM 0 H ILE A 31 23.082 10.517 9.615 1.00 72.24 H new ATOM 0 HA ILE A 31 23.638 7.705 9.767 1.00 44.13 H new ATOM 0 HB ILE A 31 24.417 10.046 11.556 1.00 43.33 H new ATOM 0 HG12 ILE A 31 26.701 9.387 10.369 1.00 63.20 H new ATOM 0 HG13 ILE A 31 25.635 8.746 9.135 1.00 63.20 H new ATOM 0 HG21 ILE A 31 26.141 8.533 12.454 1.00 34.25 H new ATOM 0 HG22 ILE A 31 24.499 7.928 12.782 1.00 34.25 H new ATOM 0 HG23 ILE A 31 25.473 7.200 11.482 1.00 34.25 H new ATOM 0 HD11 ILE A 31 26.306 11.039 8.609 1.00 61.34 H new ATOM 0 HD12 ILE A 31 24.553 10.954 8.905 1.00 61.34 H new ATOM 0 HD13 ILE A 31 25.636 11.604 10.158 1.00 61.34 H new ATOM 489 N SER A 32 21.482 9.082 11.779 1.00 33.13 N ATOM 490 CA SER A 32 20.486 8.823 12.812 1.00 31.44 C ATOM 491 C SER A 32 19.545 7.698 12.390 1.00 1.22 C ATOM 492 O SER A 32 18.946 7.027 13.230 1.00 14.34 O ATOM 493 CB SER A 32 19.683 10.091 13.107 1.00 41.34 C ATOM 494 OG SER A 32 19.912 10.544 14.430 1.00 41.54 O ATOM 0 H SER A 32 21.404 9.998 11.338 1.00 33.13 H new ATOM 0 HA SER A 32 21.010 8.515 13.717 1.00 31.44 H new ATOM 0 HB2 SER A 32 19.959 10.873 12.399 1.00 41.34 H new ATOM 0 HB3 SER A 32 18.620 9.893 12.966 1.00 41.34 H new ATOM 0 HG SER A 32 19.389 11.356 14.593 1.00 41.54 H new ATOM 500 N ARG A 33 19.421 7.499 11.082 1.00 21.10 N ATOM 501 CA ARG A 33 18.553 6.457 10.547 1.00 52.32 C ATOM 502 C ARG A 33 19.367 5.245 10.103 1.00 1.44 C ATOM 503 O ARG A 33 18.869 4.378 9.388 1.00 74.14 O ATOM 504 CB ARG A 33 17.739 6.997 9.369 1.00 2.11 C ATOM 505 CG ARG A 33 16.346 7.466 9.755 1.00 0.14 C ATOM 506 CD ARG A 33 16.239 8.983 9.721 1.00 62.44 C ATOM 507 NE ARG A 33 14.876 9.441 9.975 1.00 41.34 N ATOM 508 CZ ARG A 33 14.578 10.669 10.385 1.00 42.14 C ATOM 509 NH1 ARG A 33 15.542 11.557 10.586 1.00 65.34 N ATOM 510 NH2 ARG A 33 13.313 11.011 10.594 1.00 4.50 N ATOM 0 H ARG A 33 19.910 8.045 10.373 1.00 21.10 H new ATOM 0 HA ARG A 33 17.872 6.145 11.339 1.00 52.32 H new ATOM 0 HB2 ARG A 33 18.280 7.827 8.915 1.00 2.11 H new ATOM 0 HB3 ARG A 33 17.654 6.219 8.610 1.00 2.11 H new ATOM 0 HG2 ARG A 33 15.613 7.033 9.074 1.00 0.14 H new ATOM 0 HG3 ARG A 33 16.104 7.105 10.755 1.00 0.14 H new ATOM 0 HD2 ARG A 33 16.910 9.411 10.466 1.00 62.44 H new ATOM 0 HD3 ARG A 33 16.569 9.348 8.748 1.00 62.44 H new ATOM 0 HE ARG A 33 14.111 8.782 9.830 1.00 41.34 H new ATOM 0 HH11 ARG A 33 16.515 11.298 10.426 1.00 65.34 H new ATOM 0 HH12 ARG A 33 15.310 12.499 10.901 1.00 65.34 H new ATOM 0 HH21 ARG A 33 12.569 10.331 10.440 1.00 4.50 H new ATOM 0 HH22 ARG A 33 13.085 11.954 10.909 1.00 4.50 H new ATOM 524 N GLY A 34 20.624 5.193 10.534 1.00 41.50 N ATOM 525 CA GLY A 34 21.487 4.085 10.171 1.00 63.10 C ATOM 526 C GLY A 34 21.908 4.130 8.715 1.00 32.04 C ATOM 527 O GLY A 34 21.981 3.097 8.051 1.00 21.42 O ATOM 0 H GLY A 34 21.059 5.899 11.128 1.00 41.50 H new ATOM 0 HA2 GLY A 34 22.375 4.098 10.803 1.00 63.10 H new ATOM 0 HA3 GLY A 34 20.969 3.146 10.367 1.00 63.10 H new ATOM 531 N ALA A 35 22.183 5.331 8.218 1.00 43.04 N ATOM 532 CA ALA A 35 22.599 5.507 6.831 1.00 32.55 C ATOM 533 C ALA A 35 23.824 6.409 6.736 1.00 40.23 C ATOM 534 O ALA A 35 24.311 6.922 7.745 1.00 74.05 O ATOM 535 CB ALA A 35 21.455 6.077 6.006 1.00 71.32 C ATOM 0 H ALA A 35 22.125 6.197 8.754 1.00 43.04 H new ATOM 0 HA ALA A 35 22.869 4.530 6.431 1.00 32.55 H new ATOM 0 HB1 ALA A 35 21.779 6.203 4.973 1.00 71.32 H new ATOM 0 HB2 ALA A 35 20.607 5.393 6.039 1.00 71.32 H new ATOM 0 HB3 ALA A 35 21.158 7.043 6.414 1.00 71.32 H new ATOM 541 N LEU A 36 24.319 6.599 5.518 1.00 42.32 N ATOM 542 CA LEU A 36 25.489 7.440 5.290 1.00 2.42 C ATOM 543 C LEU A 36 25.162 8.581 4.332 1.00 71.12 C ATOM 544 O LEU A 36 24.031 8.706 3.863 1.00 23.24 O ATOM 545 CB LEU A 36 26.642 6.604 4.731 1.00 11.33 C ATOM 546 CG LEU A 36 26.260 5.534 3.709 1.00 60.44 C ATOM 547 CD1 LEU A 36 25.916 6.171 2.371 1.00 4.14 C ATOM 548 CD2 LEU A 36 27.388 4.525 3.547 1.00 73.35 C ATOM 0 H LEU A 36 23.928 6.182 4.673 1.00 42.32 H new ATOM 0 HA LEU A 36 25.789 7.868 6.246 1.00 2.42 H new ATOM 0 HB2 LEU A 36 27.363 7.279 4.269 1.00 11.33 H new ATOM 0 HB3 LEU A 36 27.149 6.118 5.564 1.00 11.33 H new ATOM 0 HG LEU A 36 25.378 5.008 4.075 1.00 60.44 H new ATOM 0 HD11 LEU A 36 25.647 5.393 1.656 1.00 4.14 H new ATOM 0 HD12 LEU A 36 25.076 6.854 2.498 1.00 4.14 H new ATOM 0 HD13 LEU A 36 26.779 6.723 1.998 1.00 4.14 H new ATOM 0 HD21 LEU A 36 27.099 3.770 2.816 1.00 73.35 H new ATOM 0 HD22 LEU A 36 28.287 5.037 3.204 1.00 73.35 H new ATOM 0 HD23 LEU A 36 27.587 4.044 4.505 1.00 73.35 H new ATOM 560 N ASN A 37 26.160 9.410 4.043 1.00 23.54 N ATOM 561 CA ASN A 37 25.979 10.539 3.139 1.00 12.20 C ATOM 562 C ASN A 37 26.768 10.336 1.849 1.00 22.14 C ATOM 563 O ASN A 37 26.190 10.162 0.776 1.00 21.25 O ATOM 564 CB ASN A 37 26.416 11.839 3.818 1.00 21.54 C ATOM 565 CG ASN A 37 27.555 11.625 4.797 1.00 61.55 C ATOM 566 OD1 ASN A 37 28.726 11.644 4.417 1.00 41.21 O ATOM 567 ND2 ASN A 37 27.216 11.418 6.064 1.00 53.33 N ATOM 0 H ASN A 37 27.103 9.321 4.422 1.00 23.54 H new ATOM 0 HA ASN A 37 24.920 10.605 2.889 1.00 12.20 H new ATOM 0 HB2 ASN A 37 26.724 12.557 3.058 1.00 21.54 H new ATOM 0 HB3 ASN A 37 25.566 12.275 4.343 1.00 21.54 H new ATOM 0 HD21 ASN A 37 27.939 11.266 6.767 1.00 53.33 H new ATOM 0 HD22 ASN A 37 26.232 11.411 6.334 1.00 53.33 H new ATOM 574 N ASP A 38 28.092 10.359 1.963 1.00 74.24 N ATOM 575 CA ASP A 38 28.961 10.175 0.806 1.00 2.34 C ATOM 576 C ASP A 38 29.286 8.699 0.600 1.00 50.24 C ATOM 577 O ASP A 38 30.322 8.212 1.052 1.00 20.12 O ATOM 578 CB ASP A 38 30.253 10.975 0.981 1.00 23.12 C ATOM 579 CG ASP A 38 30.833 10.841 2.376 1.00 61.55 C ATOM 580 OD1 ASP A 38 30.541 9.827 3.045 1.00 42.12 O ATOM 581 OD2 ASP A 38 31.580 11.748 2.797 1.00 14.22 O ATOM 0 H ASP A 38 28.586 10.503 2.844 1.00 74.24 H new ATOM 0 HA ASP A 38 28.434 10.539 -0.076 1.00 2.34 H new ATOM 0 HB2 ASP A 38 30.988 10.636 0.251 1.00 23.12 H new ATOM 0 HB3 ASP A 38 30.057 12.027 0.772 1.00 23.12 H new ATOM 586 N ASP A 39 28.394 7.993 -0.086 1.00 33.13 N ATOM 587 CA ASP A 39 28.585 6.572 -0.353 1.00 0.13 C ATOM 588 C ASP A 39 27.405 6.002 -1.134 1.00 43.21 C ATOM 589 O ASP A 39 27.569 5.101 -1.957 1.00 64.14 O ATOM 590 CB ASP A 39 28.763 5.804 0.958 1.00 10.52 C ATOM 591 CG ASP A 39 30.041 4.989 0.983 1.00 75.45 C ATOM 592 OD1 ASP A 39 30.219 4.140 0.084 1.00 4.21 O ATOM 593 OD2 ASP A 39 30.861 5.198 1.901 1.00 62.14 O ATOM 0 H ASP A 39 27.531 8.381 -0.467 1.00 33.13 H new ATOM 0 HA ASP A 39 29.486 6.459 -0.957 1.00 0.13 H new ATOM 0 HB2 ASP A 39 28.768 6.508 1.790 1.00 10.52 H new ATOM 0 HB3 ASP A 39 27.910 5.142 1.106 1.00 10.52 H new ATOM 598 N LEU A 40 26.216 6.533 -0.870 1.00 62.53 N ATOM 599 CA LEU A 40 25.008 6.076 -1.548 1.00 54.30 C ATOM 600 C LEU A 40 25.213 6.036 -3.059 1.00 12.11 C ATOM 601 O LEU A 40 25.538 7.049 -3.678 1.00 60.14 O ATOM 602 CB LEU A 40 23.831 6.992 -1.206 1.00 32.32 C ATOM 603 CG LEU A 40 22.653 6.331 -0.488 1.00 43.20 C ATOM 604 CD1 LEU A 40 22.032 5.252 -1.362 1.00 5.50 C ATOM 605 CD2 LEU A 40 23.100 5.749 0.845 1.00 70.31 C ATOM 0 H LEU A 40 26.063 7.280 -0.192 1.00 62.53 H new ATOM 0 HA LEU A 40 24.787 5.066 -1.203 1.00 54.30 H new ATOM 0 HB2 LEU A 40 24.200 7.807 -0.583 1.00 32.32 H new ATOM 0 HB3 LEU A 40 23.463 7.438 -2.130 1.00 32.32 H new ATOM 0 HG LEU A 40 21.897 7.092 -0.294 1.00 43.20 H new ATOM 0 HD11 LEU A 40 21.196 4.793 -0.835 1.00 5.50 H new ATOM 0 HD12 LEU A 40 21.675 5.697 -2.291 1.00 5.50 H new ATOM 0 HD13 LEU A 40 22.780 4.492 -1.588 1.00 5.50 H new ATOM 0 HD21 LEU A 40 22.249 5.283 1.342 1.00 70.31 H new ATOM 0 HD22 LEU A 40 23.875 5.002 0.674 1.00 70.31 H new ATOM 0 HD23 LEU A 40 23.497 6.545 1.475 1.00 70.31 H new ATOM 617 N SER A 41 25.018 4.860 -3.646 1.00 64.33 N ATOM 618 CA SER A 41 25.184 4.687 -5.085 1.00 34.02 C ATOM 619 C SER A 41 23.958 4.015 -5.696 1.00 33.24 C ATOM 620 O SER A 41 23.906 3.770 -6.901 1.00 1.31 O ATOM 621 CB SER A 41 26.434 3.857 -5.380 1.00 24.02 C ATOM 622 OG SER A 41 26.836 4.002 -6.731 1.00 52.11 O ATOM 0 H SER A 41 24.745 4.013 -3.148 1.00 64.33 H new ATOM 0 HA SER A 41 25.298 5.674 -5.534 1.00 34.02 H new ATOM 0 HB2 SER A 41 27.245 4.168 -4.721 1.00 24.02 H new ATOM 0 HB3 SER A 41 26.235 2.807 -5.167 1.00 24.02 H new ATOM 0 HG SER A 41 26.046 3.982 -7.311 1.00 52.11 H new ATOM 628 N SER A 42 22.972 3.719 -4.854 1.00 63.52 N ATOM 629 CA SER A 42 21.747 3.071 -5.309 1.00 44.01 C ATOM 630 C SER A 42 20.528 3.661 -4.607 1.00 41.12 C ATOM 631 O SER A 42 20.529 3.849 -3.391 1.00 72.10 O ATOM 632 CB SER A 42 21.817 1.564 -5.054 1.00 42.12 C ATOM 633 OG SER A 42 22.338 0.880 -6.180 1.00 63.04 O ATOM 0 H SER A 42 22.998 3.918 -3.854 1.00 63.52 H new ATOM 0 HA SER A 42 21.648 3.247 -6.380 1.00 44.01 H new ATOM 0 HB2 SER A 42 22.443 1.368 -4.184 1.00 42.12 H new ATOM 0 HB3 SER A 42 20.822 1.185 -4.822 1.00 42.12 H new ATOM 0 HG SER A 42 22.825 0.084 -5.882 1.00 63.04 H new ATOM 639 N ALA A 43 19.489 3.951 -5.384 1.00 2.44 N ATOM 640 CA ALA A 43 18.262 4.518 -4.838 1.00 3.24 C ATOM 641 C ALA A 43 17.062 4.176 -5.714 1.00 1.11 C ATOM 642 O ALA A 43 16.944 4.662 -6.839 1.00 2.43 O ATOM 643 CB ALA A 43 18.398 6.026 -4.690 1.00 53.41 C ATOM 0 H ALA A 43 19.473 3.803 -6.393 1.00 2.44 H new ATOM 0 HA ALA A 43 18.096 4.081 -3.853 1.00 3.24 H new ATOM 0 HB1 ALA A 43 17.475 6.436 -4.281 1.00 53.41 H new ATOM 0 HB2 ALA A 43 19.225 6.252 -4.017 1.00 53.41 H new ATOM 0 HB3 ALA A 43 18.592 6.471 -5.666 1.00 53.41 H new ATOM 649 N ARG A 44 16.174 3.336 -5.192 1.00 3.22 N ATOM 650 CA ARG A 44 14.984 2.928 -5.928 1.00 21.20 C ATOM 651 C ARG A 44 13.717 3.365 -5.199 1.00 0.40 C ATOM 652 O ARG A 44 13.604 3.213 -3.983 1.00 11.14 O ATOM 653 CB ARG A 44 14.975 1.411 -6.123 1.00 73.51 C ATOM 654 CG ARG A 44 13.731 0.895 -6.828 1.00 70.23 C ATOM 655 CD ARG A 44 12.651 0.499 -5.834 1.00 74.11 C ATOM 656 NE ARG A 44 11.720 -0.477 -6.396 1.00 44.42 N ATOM 657 CZ ARG A 44 12.012 -1.762 -6.558 1.00 25.32 C ATOM 658 NH1 ARG A 44 13.203 -2.225 -6.201 1.00 72.04 N ATOM 659 NH2 ARG A 44 11.113 -2.588 -7.076 1.00 73.24 N ATOM 0 H ARG A 44 16.256 2.925 -4.262 1.00 3.22 H new ATOM 0 HA ARG A 44 15.007 3.413 -6.904 1.00 21.20 H new ATOM 0 HB2 ARG A 44 15.855 1.122 -6.698 1.00 73.51 H new ATOM 0 HB3 ARG A 44 15.058 0.928 -5.150 1.00 73.51 H new ATOM 0 HG2 ARG A 44 13.346 1.664 -7.498 1.00 70.23 H new ATOM 0 HG3 ARG A 44 13.992 0.035 -7.445 1.00 70.23 H new ATOM 0 HD2 ARG A 44 13.116 0.083 -4.940 1.00 74.11 H new ATOM 0 HD3 ARG A 44 12.101 1.387 -5.523 1.00 74.11 H new ATOM 0 HE ARG A 44 10.795 -0.153 -6.679 1.00 44.42 H new ATOM 0 HH11 ARG A 44 13.897 -1.593 -5.801 1.00 72.04 H new ATOM 0 HH12 ARG A 44 13.425 -3.213 -6.326 1.00 72.04 H new ATOM 0 HH21 ARG A 44 10.196 -2.236 -7.351 1.00 73.24 H new ATOM 0 HH22 ARG A 44 11.339 -3.575 -7.200 1.00 73.24 H new ATOM 673 N VAL A 45 12.766 3.911 -5.951 1.00 20.50 N ATOM 674 CA VAL A 45 11.507 4.370 -5.377 1.00 71.11 C ATOM 675 C VAL A 45 10.317 3.861 -6.184 1.00 4.33 C ATOM 676 O VAL A 45 10.407 3.630 -7.390 1.00 33.04 O ATOM 677 CB VAL A 45 11.448 5.908 -5.311 1.00 23.44 C ATOM 678 CG1 VAL A 45 12.712 6.463 -4.672 1.00 43.23 C ATOM 679 CG2 VAL A 45 11.241 6.493 -6.699 1.00 71.03 C ATOM 0 H VAL A 45 12.844 4.046 -6.959 1.00 20.50 H new ATOM 0 HA VAL A 45 11.455 3.968 -4.365 1.00 71.11 H new ATOM 0 HB VAL A 45 10.599 6.196 -4.691 1.00 23.44 H new ATOM 0 HG11 VAL A 45 12.653 7.551 -4.634 1.00 43.23 H new ATOM 0 HG12 VAL A 45 12.811 6.069 -3.661 1.00 43.23 H new ATOM 0 HG13 VAL A 45 13.579 6.167 -5.263 1.00 43.23 H new ATOM 0 HG21 VAL A 45 11.202 7.580 -6.633 1.00 71.03 H new ATOM 0 HG22 VAL A 45 12.068 6.198 -7.345 1.00 71.03 H new ATOM 0 HG23 VAL A 45 10.305 6.121 -7.115 1.00 71.03 H new ATOM 689 N PRO A 46 9.175 3.683 -5.504 1.00 73.23 N ATOM 690 CA PRO A 46 7.944 3.201 -6.138 1.00 60.41 C ATOM 691 C PRO A 46 7.336 4.232 -7.083 1.00 31.24 C ATOM 692 O PRO A 46 7.832 5.352 -7.196 1.00 44.33 O ATOM 693 CB PRO A 46 7.011 2.946 -4.952 1.00 34.21 C ATOM 694 CG PRO A 46 7.507 3.851 -3.878 1.00 54.41 C ATOM 695 CD PRO A 46 8.996 3.939 -4.065 1.00 61.52 C ATOM 0 HA PRO A 46 8.121 2.320 -6.755 1.00 60.41 H new ATOM 0 HB2 PRO A 46 5.975 3.167 -5.209 1.00 34.21 H new ATOM 0 HB3 PRO A 46 7.046 1.903 -4.638 1.00 34.21 H new ATOM 0 HG2 PRO A 46 7.045 4.836 -3.953 1.00 54.41 H new ATOM 0 HG3 PRO A 46 7.260 3.458 -2.892 1.00 54.41 H new ATOM 0 HD2 PRO A 46 9.379 4.919 -3.780 1.00 61.52 H new ATOM 0 HD3 PRO A 46 9.522 3.202 -3.457 1.00 61.52 H new ATOM 703 N SER A 47 6.258 3.846 -7.758 1.00 21.11 N ATOM 704 CA SER A 47 5.584 4.736 -8.695 1.00 40.45 C ATOM 705 C SER A 47 4.699 5.735 -7.956 1.00 1.04 C ATOM 706 O SER A 47 3.708 5.359 -7.331 1.00 3.45 O ATOM 707 CB SER A 47 4.743 3.928 -9.685 1.00 31.30 C ATOM 708 OG SER A 47 5.548 3.017 -10.413 1.00 71.32 O ATOM 0 H SER A 47 5.833 2.923 -7.673 1.00 21.11 H new ATOM 0 HA SER A 47 6.347 5.289 -9.244 1.00 40.45 H new ATOM 0 HB2 SER A 47 3.967 3.383 -9.148 1.00 31.30 H new ATOM 0 HB3 SER A 47 4.238 4.604 -10.375 1.00 31.30 H new ATOM 0 HG SER A 47 4.987 2.512 -11.038 1.00 71.32 H new ATOM 714 N GLY A 48 5.065 7.011 -8.032 1.00 24.01 N ATOM 715 CA GLY A 48 4.295 8.045 -7.365 1.00 64.15 C ATOM 716 C GLY A 48 5.051 8.679 -6.215 1.00 12.44 C ATOM 717 O GLY A 48 4.453 9.315 -5.345 1.00 42.43 O ATOM 0 H GLY A 48 5.881 7.347 -8.544 1.00 24.01 H new ATOM 0 HA2 GLY A 48 4.025 8.816 -8.087 1.00 64.15 H new ATOM 0 HA3 GLY A 48 3.364 7.617 -6.992 1.00 64.15 H new ATOM 721 N LEU A 49 6.368 8.506 -6.206 1.00 72.14 N ATOM 722 CA LEU A 49 7.207 9.065 -5.152 1.00 54.20 C ATOM 723 C LEU A 49 8.301 9.950 -5.739 1.00 44.32 C ATOM 724 O LEU A 49 8.976 9.568 -6.696 1.00 13.42 O ATOM 725 CB LEU A 49 7.833 7.943 -4.322 1.00 14.10 C ATOM 726 CG LEU A 49 8.275 8.321 -2.908 1.00 2.00 C ATOM 727 CD1 LEU A 49 8.355 7.085 -2.025 1.00 53.13 C ATOM 728 CD2 LEU A 49 9.616 9.041 -2.943 1.00 75.31 C ATOM 0 H LEU A 49 6.878 7.983 -6.917 1.00 72.14 H new ATOM 0 HA LEU A 49 6.577 9.677 -4.507 1.00 54.20 H new ATOM 0 HB2 LEU A 49 7.114 7.127 -4.250 1.00 14.10 H new ATOM 0 HB3 LEU A 49 8.699 7.559 -4.861 1.00 14.10 H new ATOM 0 HG LEU A 49 7.532 8.997 -2.485 1.00 2.00 H new ATOM 0 HD11 LEU A 49 8.671 7.374 -1.023 1.00 53.13 H new ATOM 0 HD12 LEU A 49 7.375 6.610 -1.974 1.00 53.13 H new ATOM 0 HD13 LEU A 49 9.076 6.384 -2.445 1.00 53.13 H new ATOM 0 HD21 LEU A 49 9.915 9.303 -1.928 1.00 75.31 H new ATOM 0 HD22 LEU A 49 10.368 8.388 -3.386 1.00 75.31 H new ATOM 0 HD23 LEU A 49 9.526 9.949 -3.540 1.00 75.31 H new ATOM 740 N ARG A 50 8.474 11.133 -5.158 1.00 53.35 N ATOM 741 CA ARG A 50 9.487 12.072 -5.624 1.00 4.35 C ATOM 742 C ARG A 50 10.522 12.339 -4.534 1.00 62.32 C ATOM 743 O ARG A 50 10.202 12.335 -3.345 1.00 3.23 O ATOM 744 CB ARG A 50 8.835 13.387 -6.055 1.00 44.11 C ATOM 745 CG ARG A 50 9.001 13.692 -7.535 1.00 3.21 C ATOM 746 CD ARG A 50 8.293 14.981 -7.921 1.00 11.43 C ATOM 747 NE ARG A 50 8.849 15.568 -9.137 1.00 54.31 N ATOM 748 CZ ARG A 50 8.551 15.144 -10.360 1.00 54.21 C ATOM 749 NH1 ARG A 50 7.706 14.136 -10.528 1.00 65.24 N ATOM 750 NH2 ARG A 50 9.097 15.730 -11.418 1.00 61.31 N ATOM 0 H ARG A 50 7.926 11.464 -4.364 1.00 53.35 H new ATOM 0 HA ARG A 50 9.992 11.627 -6.481 1.00 4.35 H new ATOM 0 HB2 ARG A 50 7.772 13.351 -5.817 1.00 44.11 H new ATOM 0 HB3 ARG A 50 9.264 14.203 -5.474 1.00 44.11 H new ATOM 0 HG2 ARG A 50 10.061 13.772 -7.774 1.00 3.21 H new ATOM 0 HG3 ARG A 50 8.603 12.866 -8.125 1.00 3.21 H new ATOM 0 HD2 ARG A 50 7.231 14.782 -8.067 1.00 11.43 H new ATOM 0 HD3 ARG A 50 8.373 15.697 -7.103 1.00 11.43 H new ATOM 0 HE ARG A 50 9.502 16.346 -9.042 1.00 54.31 H new ATOM 0 HH11 ARG A 50 7.283 13.684 -9.717 1.00 65.24 H new ATOM 0 HH12 ARG A 50 7.479 13.812 -11.468 1.00 65.24 H new ATOM 0 HH21 ARG A 50 9.746 16.507 -11.292 1.00 61.31 H new ATOM 0 HH22 ARG A 50 8.868 15.404 -12.357 1.00 61.31 H new ATOM 764 N LEU A 51 11.763 12.569 -4.948 1.00 62.12 N ATOM 765 CA LEU A 51 12.846 12.837 -4.008 1.00 61.11 C ATOM 766 C LEU A 51 13.844 13.830 -4.595 1.00 55.42 C ATOM 767 O LEU A 51 13.958 13.962 -5.813 1.00 42.22 O ATOM 768 CB LEU A 51 13.561 11.536 -3.639 1.00 45.04 C ATOM 769 CG LEU A 51 12.683 10.287 -3.559 1.00 24.22 C ATOM 770 CD1 LEU A 51 12.555 9.636 -4.927 1.00 74.32 C ATOM 771 CD2 LEU A 51 13.251 9.301 -2.548 1.00 74.52 C ATOM 0 H LEU A 51 12.044 12.575 -5.928 1.00 62.12 H new ATOM 0 HA LEU A 51 12.413 13.274 -3.108 1.00 61.11 H new ATOM 0 HB2 LEU A 51 14.347 11.357 -4.372 1.00 45.04 H new ATOM 0 HB3 LEU A 51 14.050 11.674 -2.675 1.00 45.04 H new ATOM 0 HG LEU A 51 11.688 10.585 -3.227 1.00 24.22 H new ATOM 0 HD11 LEU A 51 11.927 8.749 -4.850 1.00 74.32 H new ATOM 0 HD12 LEU A 51 12.103 10.341 -5.625 1.00 74.32 H new ATOM 0 HD13 LEU A 51 13.543 9.351 -5.288 1.00 74.32 H new ATOM 0 HD21 LEU A 51 12.614 8.418 -2.504 1.00 74.52 H new ATOM 0 HD22 LEU A 51 14.256 9.008 -2.851 1.00 74.52 H new ATOM 0 HD23 LEU A 51 13.290 9.770 -1.565 1.00 74.52 H new ATOM 783 N GLU A 52 14.564 14.525 -3.720 1.00 51.11 N ATOM 784 CA GLU A 52 15.553 15.505 -4.153 1.00 52.40 C ATOM 785 C GLU A 52 16.823 15.405 -3.313 1.00 34.22 C ATOM 786 O GLU A 52 16.776 15.485 -2.085 1.00 43.52 O ATOM 787 CB GLU A 52 14.977 16.920 -4.059 1.00 34.31 C ATOM 788 CG GLU A 52 13.936 17.225 -5.123 1.00 43.34 C ATOM 789 CD GLU A 52 12.613 17.674 -4.534 1.00 60.22 C ATOM 790 OE1 GLU A 52 12.633 18.456 -3.560 1.00 74.34 O ATOM 791 OE2 GLU A 52 11.559 17.243 -5.046 1.00 54.41 O ATOM 0 H GLU A 52 14.481 14.428 -2.708 1.00 51.11 H new ATOM 0 HA GLU A 52 15.807 15.292 -5.191 1.00 52.40 H new ATOM 0 HB2 GLU A 52 14.529 17.056 -3.075 1.00 34.31 H new ATOM 0 HB3 GLU A 52 15.791 17.641 -4.141 1.00 34.31 H new ATOM 0 HG2 GLU A 52 14.317 18.002 -5.786 1.00 43.34 H new ATOM 0 HG3 GLU A 52 13.775 16.336 -5.733 1.00 43.34 H new ATOM 798 N VAL A 53 17.957 15.227 -3.984 1.00 15.35 N ATOM 799 CA VAL A 53 19.240 15.116 -3.300 1.00 74.12 C ATOM 800 C VAL A 53 19.883 16.485 -3.113 1.00 45.25 C ATOM 801 O VAL A 53 19.841 17.330 -4.008 1.00 12.43 O ATOM 802 CB VAL A 53 20.211 14.205 -4.075 1.00 11.43 C ATOM 803 CG1 VAL A 53 21.491 13.993 -3.281 1.00 62.24 C ATOM 804 CG2 VAL A 53 19.549 12.875 -4.400 1.00 55.21 C ATOM 0 H VAL A 53 18.013 15.157 -5.000 1.00 15.35 H new ATOM 0 HA VAL A 53 19.042 14.675 -2.323 1.00 74.12 H new ATOM 0 HB VAL A 53 20.470 14.694 -5.014 1.00 11.43 H new ATOM 0 HG11 VAL A 53 22.165 13.347 -3.843 1.00 62.24 H new ATOM 0 HG12 VAL A 53 21.973 14.955 -3.104 1.00 62.24 H new ATOM 0 HG13 VAL A 53 21.253 13.525 -2.326 1.00 62.24 H new ATOM 0 HG21 VAL A 53 20.249 12.244 -4.948 1.00 55.21 H new ATOM 0 HG22 VAL A 53 19.259 12.377 -3.475 1.00 55.21 H new ATOM 0 HG23 VAL A 53 18.663 13.049 -5.011 1.00 55.21 H new ATOM 814 N PHE A 54 20.481 16.698 -1.945 1.00 74.25 N ATOM 815 CA PHE A 54 21.134 17.965 -1.640 1.00 51.34 C ATOM 816 C PHE A 54 22.547 17.736 -1.112 1.00 71.40 C ATOM 817 O PHE A 54 22.732 17.272 0.013 1.00 75.33 O ATOM 818 CB PHE A 54 20.315 18.751 -0.614 1.00 41.43 C ATOM 819 CG PHE A 54 18.840 18.754 -0.899 1.00 23.51 C ATOM 820 CD1 PHE A 54 18.347 19.317 -2.064 1.00 40.44 C ATOM 821 CD2 PHE A 54 17.947 18.192 -0.001 1.00 2.04 C ATOM 822 CE1 PHE A 54 16.990 19.321 -2.330 1.00 25.24 C ATOM 823 CE2 PHE A 54 16.590 18.192 -0.261 1.00 12.05 C ATOM 824 CZ PHE A 54 16.111 18.758 -1.426 1.00 13.12 C ATOM 0 H PHE A 54 20.527 16.009 -1.194 1.00 74.25 H new ATOM 0 HA PHE A 54 21.199 18.542 -2.562 1.00 51.34 H new ATOM 0 HB2 PHE A 54 20.485 18.327 0.376 1.00 41.43 H new ATOM 0 HB3 PHE A 54 20.674 19.780 -0.586 1.00 41.43 H new ATOM 0 HD1 PHE A 54 19.031 19.759 -2.774 1.00 40.44 H new ATOM 0 HD2 PHE A 54 18.316 17.749 0.912 1.00 2.04 H new ATOM 0 HE1 PHE A 54 16.619 19.763 -3.243 1.00 25.24 H new ATOM 0 HE2 PHE A 54 15.904 17.750 0.446 1.00 12.05 H new ATOM 0 HZ PHE A 54 15.050 18.760 -1.630 1.00 13.12 H new ATOM 834 N GLN A 55 23.540 18.063 -1.933 1.00 14.53 N ATOM 835 CA GLN A 55 24.936 17.892 -1.549 1.00 33.22 C ATOM 836 C GLN A 55 25.208 18.525 -0.188 1.00 40.04 C ATOM 837 O GLN A 55 25.847 17.920 0.673 1.00 33.32 O ATOM 838 CB GLN A 55 25.856 18.507 -2.604 1.00 62.24 C ATOM 839 CG GLN A 55 25.754 17.837 -3.965 1.00 51.43 C ATOM 840 CD GLN A 55 26.951 18.127 -4.849 1.00 71.35 C ATOM 841 OE1 GLN A 55 27.840 18.894 -4.479 1.00 20.21 O ATOM 842 NE2 GLN A 55 26.980 17.512 -6.026 1.00 41.54 N ATOM 0 H GLN A 55 23.404 18.448 -2.868 1.00 14.53 H new ATOM 0 HA GLN A 55 25.139 16.823 -1.479 1.00 33.22 H new ATOM 0 HB2 GLN A 55 25.617 19.565 -2.710 1.00 62.24 H new ATOM 0 HB3 GLN A 55 26.887 18.447 -2.255 1.00 62.24 H new ATOM 0 HG2 GLN A 55 25.660 16.760 -3.829 1.00 51.43 H new ATOM 0 HG3 GLN A 55 24.847 18.176 -4.465 1.00 51.43 H new ATOM 0 HE21 GLN A 55 26.221 16.884 -6.292 1.00 41.54 H new ATOM 0 HE22 GLN A 55 27.761 17.668 -6.664 1.00 41.54 H new ATOM 851 N HIS A 56 24.720 19.747 -0.002 1.00 0.33 N ATOM 852 CA HIS A 56 24.911 20.463 1.255 1.00 72.01 C ATOM 853 C HIS A 56 23.647 20.408 2.109 1.00 44.25 C ATOM 854 O HIS A 56 22.538 20.307 1.586 1.00 1.54 O ATOM 855 CB HIS A 56 25.295 21.918 0.984 1.00 32.03 C ATOM 856 CG HIS A 56 26.518 22.362 1.725 1.00 44.20 C ATOM 857 ND1 HIS A 56 27.796 22.202 1.232 1.00 42.01 N ATOM 858 CD2 HIS A 56 26.654 22.966 2.929 1.00 42.13 C ATOM 859 CE1 HIS A 56 28.665 22.687 2.101 1.00 20.41 C ATOM 860 NE2 HIS A 56 27.998 23.157 3.139 1.00 33.35 N ATOM 0 H HIS A 56 24.190 20.262 -0.705 1.00 0.33 H new ATOM 0 HA HIS A 56 25.719 19.978 1.802 1.00 72.01 H new ATOM 0 HB2 HIS A 56 25.461 22.048 -0.085 1.00 32.03 H new ATOM 0 HB3 HIS A 56 24.460 22.563 1.258 1.00 32.03 H new ATOM 0 HD2 HIS A 56 25.855 23.246 3.599 1.00 42.13 H new ATOM 0 HE1 HIS A 56 29.738 22.697 1.982 1.00 20.41 H new ATOM 0 HE2 HIS A 56 28.413 23.591 3.963 1.00 33.35 H new ATOM 868 N ASN A 57 23.825 20.474 3.424 1.00 14.51 N ATOM 869 CA ASN A 57 22.699 20.431 4.350 1.00 13.01 C ATOM 870 C ASN A 57 21.939 21.754 4.345 1.00 1.24 C ATOM 871 O ASN A 57 20.776 21.815 4.742 1.00 3.22 O ATOM 872 CB ASN A 57 23.187 20.116 5.765 1.00 22.52 C ATOM 873 CG ASN A 57 24.380 20.961 6.167 1.00 10.51 C ATOM 874 OD1 ASN A 57 24.600 22.043 5.622 1.00 15.42 O ATOM 875 ND2 ASN A 57 25.157 20.471 7.125 1.00 24.52 N ATOM 0 H ASN A 57 24.737 20.557 3.872 1.00 14.51 H new ATOM 0 HA ASN A 57 22.022 19.642 4.022 1.00 13.01 H new ATOM 0 HB2 ASN A 57 22.374 20.281 6.472 1.00 22.52 H new ATOM 0 HB3 ASN A 57 23.455 19.061 5.828 1.00 22.52 H new ATOM 0 HD21 ASN A 57 25.974 20.996 7.437 1.00 24.52 H new ATOM 0 HD22 ASN A 57 24.937 19.570 7.549 1.00 24.52 H new ATOM 882 N ASN A 58 22.606 22.811 3.893 1.00 53.31 N ATOM 883 CA ASN A 58 21.994 24.134 3.836 1.00 32.13 C ATOM 884 C ASN A 58 21.509 24.449 2.424 1.00 32.14 C ATOM 885 O ASN A 58 21.335 25.612 2.061 1.00 12.43 O ATOM 886 CB ASN A 58 22.991 25.200 4.295 1.00 52.02 C ATOM 887 CG ASN A 58 22.392 26.153 5.311 1.00 74.00 C ATOM 888 OD1 ASN A 58 21.431 26.866 5.019 1.00 24.00 O ATOM 889 ND2 ASN A 58 22.958 26.169 6.512 1.00 13.41 N ATOM 0 H ASN A 58 23.570 22.777 3.561 1.00 53.31 H new ATOM 0 HA ASN A 58 21.134 24.138 4.506 1.00 32.13 H new ATOM 0 HB2 ASN A 58 23.865 24.714 4.728 1.00 52.02 H new ATOM 0 HB3 ASN A 58 23.337 25.766 3.430 1.00 52.02 H new ATOM 0 HD21 ASN A 58 22.598 26.790 7.237 1.00 13.41 H new ATOM 0 HD22 ASN A 58 23.753 25.561 6.709 1.00 13.41 H new ATOM 896 N PHE A 59 21.292 23.404 1.632 1.00 13.14 N ATOM 897 CA PHE A 59 20.827 23.569 0.260 1.00 20.40 C ATOM 898 C PHE A 59 21.712 24.553 -0.500 1.00 20.54 C ATOM 899 O PHE A 59 21.238 25.298 -1.357 1.00 11.32 O ATOM 900 CB PHE A 59 19.376 24.054 0.245 1.00 20.12 C ATOM 901 CG PHE A 59 18.383 22.984 0.599 1.00 55.42 C ATOM 902 CD1 PHE A 59 18.404 22.387 1.849 1.00 72.44 C ATOM 903 CD2 PHE A 59 17.427 22.577 -0.318 1.00 41.23 C ATOM 904 CE1 PHE A 59 17.491 21.402 2.176 1.00 22.41 C ATOM 905 CE2 PHE A 59 16.512 21.593 0.004 1.00 74.03 C ATOM 906 CZ PHE A 59 16.543 21.005 1.253 1.00 2.20 C ATOM 0 H PHE A 59 21.431 22.434 1.917 1.00 13.14 H new ATOM 0 HA PHE A 59 20.884 22.599 -0.235 1.00 20.40 H new ATOM 0 HB2 PHE A 59 19.271 24.882 0.946 1.00 20.12 H new ATOM 0 HB3 PHE A 59 19.141 24.443 -0.746 1.00 20.12 H new ATOM 0 HD1 PHE A 59 19.141 22.694 2.576 1.00 72.44 H new ATOM 0 HD2 PHE A 59 17.397 23.034 -1.296 1.00 41.23 H new ATOM 0 HE1 PHE A 59 17.519 20.943 3.153 1.00 22.41 H new ATOM 0 HE2 PHE A 59 15.773 21.284 -0.721 1.00 74.03 H new ATOM 0 HZ PHE A 59 15.828 20.237 1.508 1.00 2.20 H new ATOM 916 N LYS A 60 23.001 24.549 -0.178 1.00 63.03 N ATOM 917 CA LYS A 60 23.955 25.439 -0.829 1.00 51.52 C ATOM 918 C LYS A 60 24.278 24.954 -2.239 1.00 23.14 C ATOM 919 O LYS A 60 23.930 25.602 -3.224 1.00 52.52 O ATOM 920 CB LYS A 60 25.240 25.535 -0.004 1.00 1.01 C ATOM 921 CG LYS A 60 26.239 26.541 -0.548 1.00 42.23 C ATOM 922 CD LYS A 60 27.508 25.861 -1.034 1.00 21.44 C ATOM 923 CE LYS A 60 28.652 26.852 -1.179 1.00 10.41 C ATOM 924 NZ LYS A 60 29.946 26.170 -1.456 1.00 22.25 N ATOM 0 H LYS A 60 23.409 23.939 0.530 1.00 63.03 H new ATOM 0 HA LYS A 60 23.501 26.428 -0.899 1.00 51.52 H new ATOM 0 HB2 LYS A 60 24.985 25.807 1.020 1.00 1.01 H new ATOM 0 HB3 LYS A 60 25.711 24.553 0.035 1.00 1.01 H new ATOM 0 HG2 LYS A 60 25.786 27.097 -1.369 1.00 42.23 H new ATOM 0 HG3 LYS A 60 26.487 27.264 0.228 1.00 42.23 H new ATOM 0 HD2 LYS A 60 27.792 25.076 -0.333 1.00 21.44 H new ATOM 0 HD3 LYS A 60 27.319 25.379 -1.993 1.00 21.44 H new ATOM 0 HE2 LYS A 60 28.429 27.549 -1.987 1.00 10.41 H new ATOM 0 HE3 LYS A 60 28.740 27.441 -0.266 1.00 10.41 H new ATOM 0 HZ1 LYS A 60 30.700 26.880 -1.548 1.00 22.25 H new ATOM 0 HZ2 LYS A 60 30.173 25.524 -0.673 1.00 22.25 H new ATOM 0 HZ3 LYS A 60 29.871 25.629 -2.341 1.00 22.25 H new ATOM 938 N GLY A 61 24.946 23.807 -2.326 1.00 50.43 N ATOM 939 CA GLY A 61 25.304 23.254 -3.619 1.00 55.24 C ATOM 940 C GLY A 61 24.093 22.994 -4.494 1.00 12.15 C ATOM 941 O GLY A 61 22.973 23.368 -4.143 1.00 62.53 O ATOM 0 H GLY A 61 25.245 23.252 -1.524 1.00 50.43 H new ATOM 0 HA2 GLY A 61 25.977 23.941 -4.131 1.00 55.24 H new ATOM 0 HA3 GLY A 61 25.850 22.322 -3.474 1.00 55.24 H new ATOM 945 N VAL A 62 24.317 22.353 -5.636 1.00 75.22 N ATOM 946 CA VAL A 62 23.235 22.044 -6.564 1.00 30.42 C ATOM 947 C VAL A 62 22.319 20.963 -5.999 1.00 50.55 C ATOM 948 O VAL A 62 22.759 20.090 -5.252 1.00 65.01 O ATOM 949 CB VAL A 62 23.781 21.578 -7.927 1.00 35.11 C ATOM 950 CG1 VAL A 62 24.496 20.243 -7.788 1.00 20.20 C ATOM 951 CG2 VAL A 62 22.656 21.486 -8.947 1.00 71.21 C ATOM 0 H VAL A 62 25.238 22.037 -5.941 1.00 75.22 H new ATOM 0 HA VAL A 62 22.665 22.963 -6.704 1.00 30.42 H new ATOM 0 HB VAL A 62 24.503 22.314 -8.281 1.00 35.11 H new ATOM 0 HG11 VAL A 62 24.875 19.930 -8.761 1.00 20.20 H new ATOM 0 HG12 VAL A 62 25.328 20.347 -7.091 1.00 20.20 H new ATOM 0 HG13 VAL A 62 23.799 19.494 -7.412 1.00 20.20 H new ATOM 0 HG21 VAL A 62 23.059 21.155 -9.904 1.00 71.21 H new ATOM 0 HG22 VAL A 62 21.909 20.771 -8.601 1.00 71.21 H new ATOM 0 HG23 VAL A 62 22.193 22.465 -9.067 1.00 71.21 H new ATOM 961 N ARG A 63 21.042 21.029 -6.363 1.00 2.14 N ATOM 962 CA ARG A 63 20.063 20.057 -5.892 1.00 21.22 C ATOM 963 C ARG A 63 19.512 19.235 -7.053 1.00 71.50 C ATOM 964 O ARG A 63 19.202 19.773 -8.116 1.00 21.10 O ATOM 965 CB ARG A 63 18.918 20.765 -5.166 1.00 0.04 C ATOM 966 CG ARG A 63 18.137 21.724 -6.049 1.00 71.23 C ATOM 967 CD ARG A 63 17.025 22.415 -5.275 1.00 62.32 C ATOM 968 NE ARG A 63 15.747 22.350 -5.978 1.00 34.41 N ATOM 969 CZ ARG A 63 14.646 22.964 -5.560 1.00 11.35 C ATOM 970 NH1 ARG A 63 14.668 23.687 -4.448 1.00 32.41 N ATOM 971 NH2 ARG A 63 13.520 22.857 -6.254 1.00 2.51 N ATOM 0 H ARG A 63 20.662 21.745 -6.982 1.00 2.14 H new ATOM 0 HA ARG A 63 20.563 19.383 -5.197 1.00 21.22 H new ATOM 0 HB2 ARG A 63 18.235 20.016 -4.765 1.00 0.04 H new ATOM 0 HB3 ARG A 63 19.323 21.315 -4.316 1.00 0.04 H new ATOM 0 HG2 ARG A 63 18.813 22.472 -6.462 1.00 71.23 H new ATOM 0 HG3 ARG A 63 17.711 21.179 -6.892 1.00 71.23 H new ATOM 0 HD2 ARG A 63 16.923 21.950 -4.294 1.00 62.32 H new ATOM 0 HD3 ARG A 63 17.294 23.458 -5.107 1.00 62.32 H new ATOM 0 HE ARG A 63 15.697 21.803 -6.837 1.00 34.41 H new ATOM 0 HH11 ARG A 63 15.532 23.772 -3.912 1.00 32.41 H new ATOM 0 HH12 ARG A 63 13.821 24.158 -4.129 1.00 32.41 H new ATOM 0 HH21 ARG A 63 13.499 22.303 -7.110 1.00 2.51 H new ATOM 0 HH22 ARG A 63 12.675 23.329 -5.932 1.00 2.51 H new ATOM 985 N ASP A 64 19.393 17.928 -6.842 1.00 50.41 N ATOM 986 CA ASP A 64 18.879 17.031 -7.871 1.00 13.45 C ATOM 987 C ASP A 64 17.450 16.601 -7.552 1.00 3.23 C ATOM 988 O ASP A 64 16.892 16.980 -6.522 1.00 11.21 O ATOM 989 CB ASP A 64 19.778 15.801 -8.001 1.00 1.24 C ATOM 990 CG ASP A 64 19.943 15.354 -9.440 1.00 32.02 C ATOM 991 OD1 ASP A 64 19.107 14.555 -9.912 1.00 63.24 O ATOM 992 OD2 ASP A 64 20.907 15.804 -10.094 1.00 34.22 O ATOM 0 H ASP A 64 19.645 17.467 -5.968 1.00 50.41 H new ATOM 0 HA ASP A 64 18.875 17.569 -8.819 1.00 13.45 H new ATOM 0 HB2 ASP A 64 20.758 16.024 -7.578 1.00 1.24 H new ATOM 0 HB3 ASP A 64 19.357 14.983 -7.416 1.00 1.24 H new ATOM 997 N PHE A 65 16.864 15.808 -8.442 1.00 52.44 N ATOM 998 CA PHE A 65 15.499 15.328 -8.257 1.00 44.22 C ATOM 999 C PHE A 65 15.267 14.037 -9.037 1.00 14.33 C ATOM 1000 O PHE A 65 15.415 14.002 -10.258 1.00 62.35 O ATOM 1001 CB PHE A 65 14.496 16.394 -8.702 1.00 41.25 C ATOM 1002 CG PHE A 65 14.818 17.000 -10.039 1.00 25.05 C ATOM 1003 CD1 PHE A 65 15.698 18.066 -10.137 1.00 24.33 C ATOM 1004 CD2 PHE A 65 14.241 16.504 -11.196 1.00 60.13 C ATOM 1005 CE1 PHE A 65 15.998 18.625 -11.365 1.00 15.23 C ATOM 1006 CE2 PHE A 65 14.537 17.059 -12.427 1.00 13.00 C ATOM 1007 CZ PHE A 65 15.415 18.122 -12.511 1.00 70.22 C ATOM 0 H PHE A 65 17.313 15.484 -9.299 1.00 52.44 H new ATOM 0 HA PHE A 65 15.353 15.123 -7.197 1.00 44.22 H new ATOM 0 HB2 PHE A 65 13.501 15.951 -8.743 1.00 41.25 H new ATOM 0 HB3 PHE A 65 14.462 17.185 -7.952 1.00 41.25 H new ATOM 0 HD1 PHE A 65 16.155 18.465 -9.243 1.00 24.33 H new ATOM 0 HD2 PHE A 65 13.552 15.674 -11.136 1.00 60.13 H new ATOM 0 HE1 PHE A 65 16.687 19.454 -11.428 1.00 15.23 H new ATOM 0 HE2 PHE A 65 14.082 16.662 -13.322 1.00 13.00 H new ATOM 0 HZ PHE A 65 15.645 18.559 -13.471 1.00 70.22 H new ATOM 1017 N TYR A 66 14.901 12.979 -8.321 1.00 44.35 N ATOM 1018 CA TYR A 66 14.651 11.685 -8.945 1.00 11.15 C ATOM 1019 C TYR A 66 13.222 11.221 -8.681 1.00 14.12 C ATOM 1020 O TYR A 66 12.468 11.872 -7.956 1.00 73.14 O ATOM 1021 CB TYR A 66 15.642 10.644 -8.422 1.00 33.51 C ATOM 1022 CG TYR A 66 16.760 10.332 -9.391 1.00 32.23 C ATOM 1023 CD1 TYR A 66 16.486 9.950 -10.699 1.00 11.35 C ATOM 1024 CD2 TYR A 66 18.090 10.418 -8.998 1.00 72.45 C ATOM 1025 CE1 TYR A 66 17.504 9.664 -11.587 1.00 61.22 C ATOM 1026 CE2 TYR A 66 19.114 10.134 -9.881 1.00 4.43 C ATOM 1027 CZ TYR A 66 18.817 9.758 -11.174 1.00 34.23 C ATOM 1028 OH TYR A 66 19.834 9.473 -12.055 1.00 44.51 O ATOM 0 H TYR A 66 14.771 12.992 -7.309 1.00 44.35 H new ATOM 0 HA TYR A 66 14.785 11.796 -10.021 1.00 11.15 H new ATOM 0 HB2 TYR A 66 16.072 11.002 -7.487 1.00 33.51 H new ATOM 0 HB3 TYR A 66 15.103 9.724 -8.194 1.00 33.51 H new ATOM 0 HD1 TYR A 66 15.459 9.876 -11.026 1.00 11.35 H new ATOM 0 HD2 TYR A 66 18.327 10.712 -7.986 1.00 72.45 H new ATOM 0 HE1 TYR A 66 17.274 9.368 -12.600 1.00 61.22 H new ATOM 0 HE2 TYR A 66 20.143 10.206 -9.560 1.00 4.43 H new ATOM 0 HH TYR A 66 20.698 9.589 -11.606 1.00 44.51 H new ATOM 1038 N THR A 67 12.855 10.089 -9.274 1.00 53.32 N ATOM 1039 CA THR A 67 11.517 9.537 -9.105 1.00 72.43 C ATOM 1040 C THR A 67 11.381 8.197 -9.819 1.00 64.51 C ATOM 1041 O THR A 67 10.377 7.933 -10.480 1.00 14.04 O ATOM 1042 CB THR A 67 10.440 10.500 -9.638 1.00 15.23 C ATOM 1043 OG1 THR A 67 9.136 9.954 -9.407 1.00 62.32 O ATOM 1044 CG2 THR A 67 10.631 10.758 -11.125 1.00 22.13 C ATOM 0 H THR A 67 13.466 9.537 -9.876 1.00 53.32 H new ATOM 0 HA THR A 67 11.368 9.393 -8.035 1.00 72.43 H new ATOM 0 HB THR A 67 10.537 11.447 -9.106 1.00 15.23 H new ATOM 0 HG1 THR A 67 8.966 9.910 -8.443 1.00 62.32 H new ATOM 0 HG21 THR A 67 9.858 11.441 -11.478 1.00 22.13 H new ATOM 0 HG22 THR A 67 11.612 11.202 -11.294 1.00 22.13 H new ATOM 0 HG23 THR A 67 10.560 9.817 -11.670 1.00 22.13 H new ATOM 1052 N SER A 68 12.399 7.352 -9.682 1.00 11.54 N ATOM 1053 CA SER A 68 12.394 6.040 -10.316 1.00 63.35 C ATOM 1054 C SER A 68 13.574 5.200 -9.836 1.00 34.43 C ATOM 1055 O SER A 68 14.409 5.668 -9.061 1.00 75.53 O ATOM 1056 CB SER A 68 12.445 6.186 -11.839 1.00 35.24 C ATOM 1057 OG SER A 68 13.738 6.569 -12.272 1.00 1.33 O ATOM 0 H SER A 68 13.237 7.554 -9.137 1.00 11.54 H new ATOM 0 HA SER A 68 11.471 5.533 -10.037 1.00 63.35 H new ATOM 0 HB2 SER A 68 12.166 5.242 -12.307 1.00 35.24 H new ATOM 0 HB3 SER A 68 11.715 6.929 -12.161 1.00 35.24 H new ATOM 0 HG SER A 68 13.744 6.654 -13.248 1.00 1.33 H new ATOM 1063 N ASP A 69 13.635 3.957 -10.301 1.00 34.35 N ATOM 1064 CA ASP A 69 14.712 3.050 -9.920 1.00 15.02 C ATOM 1065 C ASP A 69 16.051 3.539 -10.463 1.00 32.34 C ATOM 1066 O ASP A 69 16.446 3.188 -11.574 1.00 43.40 O ATOM 1067 CB ASP A 69 14.424 1.638 -10.433 1.00 13.21 C ATOM 1068 CG ASP A 69 14.052 1.621 -11.903 1.00 32.05 C ATOM 1069 OD1 ASP A 69 12.885 1.931 -12.223 1.00 60.33 O ATOM 1070 OD2 ASP A 69 14.928 1.299 -12.732 1.00 34.41 O ATOM 0 H ASP A 69 12.952 3.554 -10.942 1.00 34.35 H new ATOM 0 HA ASP A 69 14.768 3.028 -8.832 1.00 15.02 H new ATOM 0 HB2 ASP A 69 15.302 1.011 -10.276 1.00 13.21 H new ATOM 0 HB3 ASP A 69 13.613 1.201 -9.851 1.00 13.21 H new ATOM 1075 N ALA A 70 16.744 4.351 -9.671 1.00 34.21 N ATOM 1076 CA ALA A 70 18.038 4.887 -10.072 1.00 25.25 C ATOM 1077 C ALA A 70 19.178 4.032 -9.529 1.00 24.24 C ATOM 1078 O ALA A 70 19.260 3.780 -8.327 1.00 2.33 O ATOM 1079 CB ALA A 70 18.183 6.325 -9.598 1.00 45.50 C ATOM 0 H ALA A 70 16.430 4.652 -8.748 1.00 34.21 H new ATOM 0 HA ALA A 70 18.090 4.868 -11.161 1.00 25.25 H new ATOM 0 HB1 ALA A 70 19.154 6.713 -9.904 1.00 45.50 H new ATOM 0 HB2 ALA A 70 17.394 6.934 -10.038 1.00 45.50 H new ATOM 0 HB3 ALA A 70 18.105 6.360 -8.511 1.00 45.50 H new ATOM 1085 N ALA A 71 20.056 3.587 -10.422 1.00 51.12 N ATOM 1086 CA ALA A 71 21.192 2.761 -10.032 1.00 12.21 C ATOM 1087 C ALA A 71 22.438 3.611 -9.810 1.00 42.34 C ATOM 1088 O ALA A 71 23.561 3.117 -9.900 1.00 63.34 O ATOM 1089 CB ALA A 71 21.457 1.697 -11.086 1.00 62.41 C ATOM 0 H ALA A 71 20.002 3.785 -11.421 1.00 51.12 H new ATOM 0 HA ALA A 71 20.947 2.270 -9.090 1.00 12.21 H new ATOM 0 HB1 ALA A 71 22.308 1.088 -10.782 1.00 62.41 H new ATOM 0 HB2 ALA A 71 20.577 1.063 -11.193 1.00 62.41 H new ATOM 0 HB3 ALA A 71 21.677 2.177 -12.040 1.00 62.41 H new ATOM 1095 N GLU A 72 22.232 4.892 -9.521 1.00 54.32 N ATOM 1096 CA GLU A 72 23.340 5.811 -9.289 1.00 22.34 C ATOM 1097 C GLU A 72 22.835 7.151 -8.762 1.00 21.24 C ATOM 1098 O GLU A 72 22.014 7.812 -9.398 1.00 75.45 O ATOM 1099 CB GLU A 72 24.134 6.024 -10.579 1.00 40.11 C ATOM 1100 CG GLU A 72 25.637 5.901 -10.396 1.00 64.04 C ATOM 1101 CD GLU A 72 26.361 7.216 -10.611 1.00 51.23 C ATOM 1102 OE1 GLU A 72 26.199 7.811 -11.698 1.00 24.33 O ATOM 1103 OE2 GLU A 72 27.088 7.651 -9.694 1.00 63.31 O ATOM 0 H GLU A 72 21.308 5.317 -9.442 1.00 54.32 H new ATOM 0 HA GLU A 72 23.994 5.368 -8.538 1.00 22.34 H new ATOM 0 HB2 GLU A 72 23.806 5.297 -11.322 1.00 40.11 H new ATOM 0 HB3 GLU A 72 23.905 7.012 -10.978 1.00 40.11 H new ATOM 0 HG2 GLU A 72 25.848 5.535 -9.391 1.00 64.04 H new ATOM 0 HG3 GLU A 72 26.025 5.159 -11.094 1.00 64.04 H new ATOM 1110 N LEU A 73 23.332 7.546 -7.594 1.00 75.44 N ATOM 1111 CA LEU A 73 22.931 8.807 -6.980 1.00 22.30 C ATOM 1112 C LEU A 73 23.073 9.962 -7.966 1.00 21.02 C ATOM 1113 O LEU A 73 23.687 9.817 -9.023 1.00 3.33 O ATOM 1114 CB LEU A 73 23.774 9.079 -5.733 1.00 13.13 C ATOM 1115 CG LEU A 73 23.134 8.703 -4.396 1.00 3.35 C ATOM 1116 CD1 LEU A 73 22.144 9.771 -3.958 1.00 51.45 C ATOM 1117 CD2 LEU A 73 22.450 7.347 -4.494 1.00 4.42 C ATOM 0 H LEU A 73 24.013 7.011 -7.054 1.00 75.44 H new ATOM 0 HA LEU A 73 21.883 8.726 -6.692 1.00 22.30 H new ATOM 0 HB2 LEU A 73 24.714 8.536 -5.829 1.00 13.13 H new ATOM 0 HB3 LEU A 73 24.020 10.141 -5.710 1.00 13.13 H new ATOM 0 HG LEU A 73 23.921 8.637 -3.645 1.00 3.35 H new ATOM 0 HD11 LEU A 73 21.699 9.486 -3.005 1.00 51.45 H new ATOM 0 HD12 LEU A 73 22.662 10.723 -3.846 1.00 51.45 H new ATOM 0 HD13 LEU A 73 21.360 9.871 -4.709 1.00 51.45 H new ATOM 0 HD21 LEU A 73 22.000 7.096 -3.533 1.00 4.42 H new ATOM 0 HD22 LEU A 73 21.674 7.385 -5.259 1.00 4.42 H new ATOM 0 HD23 LEU A 73 23.185 6.587 -4.760 1.00 4.42 H new ATOM 1129 N SER A 74 22.503 11.109 -7.611 1.00 52.13 N ATOM 1130 CA SER A 74 22.564 12.289 -8.465 1.00 43.44 C ATOM 1131 C SER A 74 24.001 12.576 -8.893 1.00 55.20 C ATOM 1132 O SER A 74 24.368 12.372 -10.050 1.00 71.41 O ATOM 1133 CB SER A 74 21.985 13.503 -7.736 1.00 41.34 C ATOM 1134 OG SER A 74 22.520 13.616 -6.429 1.00 33.21 O ATOM 0 H SER A 74 21.994 11.246 -6.738 1.00 52.13 H new ATOM 0 HA SER A 74 21.970 12.093 -9.357 1.00 43.44 H new ATOM 0 HB2 SER A 74 22.204 14.409 -8.301 1.00 41.34 H new ATOM 0 HB3 SER A 74 20.900 13.415 -7.682 1.00 41.34 H new ATOM 0 HG SER A 74 22.402 14.533 -6.105 1.00 33.21 H new ATOM 1140 N ARG A 75 24.808 13.052 -7.951 1.00 20.55 N ATOM 1141 CA ARG A 75 26.204 13.368 -8.229 1.00 13.23 C ATOM 1142 C ARG A 75 27.136 12.454 -7.439 1.00 43.31 C ATOM 1143 O ARG A 75 26.700 11.465 -6.850 1.00 63.14 O ATOM 1144 CB ARG A 75 26.495 14.830 -7.887 1.00 0.54 C ATOM 1145 CG ARG A 75 27.312 15.553 -8.945 1.00 63.53 C ATOM 1146 CD ARG A 75 26.606 16.807 -9.435 1.00 11.12 C ATOM 1147 NE ARG A 75 27.513 17.703 -10.148 1.00 35.12 N ATOM 1148 CZ ARG A 75 27.112 18.794 -10.791 1.00 63.12 C ATOM 1149 NH1 ARG A 75 25.828 19.123 -10.811 1.00 30.45 N ATOM 1150 NH2 ARG A 75 27.998 19.559 -11.417 1.00 12.13 N ATOM 0 H ARG A 75 24.519 13.227 -6.989 1.00 20.55 H new ATOM 0 HA ARG A 75 26.382 13.208 -9.292 1.00 13.23 H new ATOM 0 HB2 ARG A 75 25.551 15.356 -7.747 1.00 0.54 H new ATOM 0 HB3 ARG A 75 27.028 14.873 -6.937 1.00 0.54 H new ATOM 0 HG2 ARG A 75 28.286 15.820 -8.535 1.00 63.53 H new ATOM 0 HG3 ARG A 75 27.493 14.884 -9.786 1.00 63.53 H new ATOM 0 HD2 ARG A 75 25.783 16.526 -10.092 1.00 11.12 H new ATOM 0 HD3 ARG A 75 26.170 17.333 -8.586 1.00 11.12 H new ATOM 0 HE ARG A 75 28.508 17.479 -10.152 1.00 35.12 H new ATOM 0 HH11 ARG A 75 25.144 18.538 -10.332 1.00 30.45 H new ATOM 0 HH12 ARG A 75 25.524 19.962 -11.306 1.00 30.45 H new ATOM 0 HH21 ARG A 75 28.987 19.309 -11.404 1.00 12.13 H new ATOM 0 HH22 ARG A 75 27.690 20.397 -11.911 1.00 12.13 H new ATOM 1164 N ASP A 76 28.421 12.793 -7.432 1.00 31.50 N ATOM 1165 CA ASP A 76 29.415 12.003 -6.715 1.00 4.24 C ATOM 1166 C ASP A 76 28.999 11.795 -5.262 1.00 1.12 C ATOM 1167 O ASP A 76 28.205 12.561 -4.718 1.00 34.21 O ATOM 1168 CB ASP A 76 30.781 12.689 -6.773 1.00 42.04 C ATOM 1169 CG ASP A 76 31.730 12.007 -7.739 1.00 25.33 C ATOM 1170 OD1 ASP A 76 31.385 11.899 -8.934 1.00 64.13 O ATOM 1171 OD2 ASP A 76 32.819 11.581 -7.299 1.00 11.41 O ATOM 0 H ASP A 76 28.798 13.609 -7.914 1.00 31.50 H new ATOM 0 HA ASP A 76 29.485 11.028 -7.198 1.00 4.24 H new ATOM 0 HB2 ASP A 76 30.650 13.729 -7.071 1.00 42.04 H new ATOM 0 HB3 ASP A 76 31.224 12.696 -5.777 1.00 42.04 H new ATOM 1176 N ASN A 77 29.541 10.753 -4.640 1.00 32.12 N ATOM 1177 CA ASN A 77 29.224 10.443 -3.250 1.00 62.13 C ATOM 1178 C ASN A 77 29.448 11.659 -2.357 1.00 5.11 C ATOM 1179 O ASN A 77 30.580 11.966 -1.981 1.00 41.03 O ATOM 1180 CB ASN A 77 30.078 9.272 -2.760 1.00 72.41 C ATOM 1181 CG ASN A 77 31.507 9.348 -3.261 1.00 1.41 C ATOM 1182 OD1 ASN A 77 32.032 10.434 -3.511 1.00 35.20 O ATOM 1183 ND2 ASN A 77 32.145 8.193 -3.410 1.00 34.00 N ATOM 0 H ASN A 77 30.201 10.109 -5.076 1.00 32.12 H new ATOM 0 HA ASN A 77 28.172 10.164 -3.196 1.00 62.13 H new ATOM 0 HB2 ASN A 77 30.078 9.258 -1.670 1.00 72.41 H new ATOM 0 HB3 ASN A 77 29.629 8.335 -3.091 1.00 72.41 H new ATOM 0 HD21 ASN A 77 33.109 8.182 -3.744 1.00 34.00 H new ATOM 0 HD22 ASN A 77 31.671 7.317 -3.191 1.00 34.00 H new ATOM 1190 N ASP A 78 28.363 12.347 -2.020 1.00 61.11 N ATOM 1191 CA ASP A 78 28.440 13.529 -1.169 1.00 63.22 C ATOM 1192 C ASP A 78 27.063 14.160 -0.990 1.00 42.20 C ATOM 1193 O ASP A 78 26.786 15.232 -1.528 1.00 23.03 O ATOM 1194 CB ASP A 78 29.410 14.550 -1.766 1.00 12.33 C ATOM 1195 CG ASP A 78 29.233 14.710 -3.263 1.00 4.41 C ATOM 1196 OD1 ASP A 78 28.237 15.338 -3.679 1.00 22.23 O ATOM 1197 OD2 ASP A 78 30.091 14.207 -4.019 1.00 1.51 O ATOM 0 H ASP A 78 27.419 12.107 -2.323 1.00 61.11 H new ATOM 0 HA ASP A 78 28.807 13.220 -0.190 1.00 63.22 H new ATOM 0 HB2 ASP A 78 29.262 15.515 -1.280 1.00 12.33 H new ATOM 0 HB3 ASP A 78 30.434 14.241 -1.555 1.00 12.33 H new ATOM 1202 N ALA A 79 26.204 13.488 -0.232 1.00 34.32 N ATOM 1203 CA ALA A 79 24.856 13.983 0.019 1.00 50.30 C ATOM 1204 C ALA A 79 24.652 14.296 1.497 1.00 3.15 C ATOM 1205 O ALA A 79 24.489 13.392 2.316 1.00 25.44 O ATOM 1206 CB ALA A 79 23.824 12.970 -0.455 1.00 44.32 C ATOM 0 H ALA A 79 26.417 12.599 0.219 1.00 34.32 H new ATOM 0 HA ALA A 79 24.726 14.908 -0.543 1.00 50.30 H new ATOM 0 HB1 ALA A 79 22.822 13.353 -0.261 1.00 44.32 H new ATOM 0 HB2 ALA A 79 23.946 12.799 -1.525 1.00 44.32 H new ATOM 0 HB3 ALA A 79 23.963 12.031 0.081 1.00 44.32 H new ATOM 1212 N SER A 80 24.663 15.582 1.832 1.00 3.35 N ATOM 1213 CA SER A 80 24.484 16.014 3.214 1.00 43.12 C ATOM 1214 C SER A 80 23.020 15.910 3.630 1.00 22.41 C ATOM 1215 O SER A 80 22.698 15.326 4.665 1.00 52.20 O ATOM 1216 CB SER A 80 24.975 17.453 3.388 1.00 34.33 C ATOM 1217 OG SER A 80 25.064 17.798 4.760 1.00 51.23 O ATOM 0 H SER A 80 24.794 16.343 1.166 1.00 3.35 H new ATOM 0 HA SER A 80 25.073 15.357 3.854 1.00 43.12 H new ATOM 0 HB2 SER A 80 25.951 17.567 2.917 1.00 34.33 H new ATOM 0 HB3 SER A 80 24.294 18.137 2.881 1.00 34.33 H new ATOM 0 HG SER A 80 25.304 18.744 4.844 1.00 51.23 H new ATOM 1223 N SER A 81 22.138 16.480 2.816 1.00 71.22 N ATOM 1224 CA SER A 81 20.708 16.455 3.100 1.00 11.02 C ATOM 1225 C SER A 81 19.920 15.982 1.882 1.00 11.23 C ATOM 1226 O SER A 81 20.400 16.056 0.751 1.00 54.20 O ATOM 1227 CB SER A 81 20.227 17.844 3.525 1.00 31.34 C ATOM 1228 OG SER A 81 18.829 17.979 3.336 1.00 0.24 O ATOM 0 H SER A 81 22.388 16.965 1.954 1.00 71.22 H new ATOM 0 HA SER A 81 20.537 15.753 3.916 1.00 11.02 H new ATOM 0 HB2 SER A 81 20.473 18.013 4.573 1.00 31.34 H new ATOM 0 HB3 SER A 81 20.751 18.606 2.948 1.00 31.34 H new ATOM 0 HG SER A 81 18.360 17.307 3.873 1.00 0.24 H new ATOM 1234 N VAL A 82 18.706 15.496 2.123 1.00 64.31 N ATOM 1235 CA VAL A 82 17.850 15.011 1.047 1.00 51.30 C ATOM 1236 C VAL A 82 16.376 15.170 1.404 1.00 23.42 C ATOM 1237 O VAL A 82 16.025 15.347 2.571 1.00 64.51 O ATOM 1238 CB VAL A 82 18.133 13.532 0.727 1.00 22.51 C ATOM 1239 CG1 VAL A 82 19.508 13.375 0.095 1.00 52.42 C ATOM 1240 CG2 VAL A 82 18.016 12.683 1.984 1.00 2.24 C ATOM 0 H VAL A 82 18.294 15.428 3.053 1.00 64.31 H new ATOM 0 HA VAL A 82 18.075 15.614 0.167 1.00 51.30 H new ATOM 0 HB VAL A 82 17.388 13.185 0.011 1.00 22.51 H new ATOM 0 HG11 VAL A 82 19.690 12.323 -0.124 1.00 52.42 H new ATOM 0 HG12 VAL A 82 19.551 13.951 -0.829 1.00 52.42 H new ATOM 0 HG13 VAL A 82 20.269 13.739 0.785 1.00 52.42 H new ATOM 0 HG21 VAL A 82 18.219 11.640 1.739 1.00 2.24 H new ATOM 0 HG22 VAL A 82 18.737 13.029 2.725 1.00 2.24 H new ATOM 0 HG23 VAL A 82 17.008 12.771 2.390 1.00 2.24 H new ATOM 1250 N ARG A 83 15.517 15.104 0.392 1.00 5.30 N ATOM 1251 CA ARG A 83 14.081 15.241 0.599 1.00 12.10 C ATOM 1252 C ARG A 83 13.320 14.129 -0.117 1.00 21.21 C ATOM 1253 O ARG A 83 13.629 13.786 -1.258 1.00 63.31 O ATOM 1254 CB ARG A 83 13.600 16.605 0.101 1.00 52.13 C ATOM 1255 CG ARG A 83 13.427 17.632 1.208 1.00 21.21 C ATOM 1256 CD ARG A 83 13.227 19.030 0.645 1.00 3.20 C ATOM 1257 NE ARG A 83 12.298 19.817 1.451 1.00 11.21 N ATOM 1258 CZ ARG A 83 11.985 21.081 1.188 1.00 71.01 C ATOM 1259 NH1 ARG A 83 12.524 21.698 0.145 1.00 31.52 N ATOM 1260 NH2 ARG A 83 11.131 21.731 1.968 1.00 34.43 N ATOM 0 H ARG A 83 15.791 14.956 -0.579 1.00 5.30 H new ATOM 0 HA ARG A 83 13.884 15.162 1.668 1.00 12.10 H new ATOM 0 HB2 ARG A 83 14.313 16.987 -0.629 1.00 52.13 H new ATOM 0 HB3 ARG A 83 12.649 16.478 -0.417 1.00 52.13 H new ATOM 0 HG2 ARG A 83 12.571 17.362 1.826 1.00 21.21 H new ATOM 0 HG3 ARG A 83 14.304 17.621 1.856 1.00 21.21 H new ATOM 0 HD2 ARG A 83 14.188 19.542 0.596 1.00 3.20 H new ATOM 0 HD3 ARG A 83 12.851 18.959 -0.376 1.00 3.20 H new ATOM 0 HE ARG A 83 11.866 19.372 2.260 1.00 11.21 H new ATOM 0 HH11 ARG A 83 13.181 21.202 -0.458 1.00 31.52 H new ATOM 0 HH12 ARG A 83 12.282 22.669 -0.055 1.00 31.52 H new ATOM 0 HH21 ARG A 83 10.714 21.260 2.771 1.00 34.43 H new ATOM 0 HH22 ARG A 83 10.892 22.701 1.765 1.00 34.43 H new ATOM 1274 N VAL A 84 12.324 13.569 0.562 1.00 74.34 N ATOM 1275 CA VAL A 84 11.518 12.496 -0.009 1.00 61.22 C ATOM 1276 C VAL A 84 10.035 12.717 0.264 1.00 53.42 C ATOM 1277 O VAL A 84 9.645 13.087 1.372 1.00 63.24 O ATOM 1278 CB VAL A 84 11.933 11.123 0.553 1.00 72.15 C ATOM 1279 CG1 VAL A 84 13.439 10.935 0.447 1.00 14.54 C ATOM 1280 CG2 VAL A 84 11.468 10.975 1.993 1.00 22.05 C ATOM 0 H VAL A 84 12.056 13.840 1.508 1.00 74.34 H new ATOM 0 HA VAL A 84 11.692 12.508 -1.085 1.00 61.22 H new ATOM 0 HB VAL A 84 11.452 10.346 -0.041 1.00 72.15 H new ATOM 0 HG11 VAL A 84 13.713 9.960 0.849 1.00 14.54 H new ATOM 0 HG12 VAL A 84 13.740 10.994 -0.599 1.00 14.54 H new ATOM 0 HG13 VAL A 84 13.944 11.716 1.015 1.00 14.54 H new ATOM 0 HG21 VAL A 84 11.770 9.999 2.374 1.00 22.05 H new ATOM 0 HG22 VAL A 84 11.918 11.758 2.603 1.00 22.05 H new ATOM 0 HG23 VAL A 84 10.382 11.061 2.035 1.00 22.05 H new ATOM 1290 N SER A 85 9.211 12.489 -0.754 1.00 33.23 N ATOM 1291 CA SER A 85 7.769 12.667 -0.625 1.00 21.42 C ATOM 1292 C SER A 85 7.030 11.941 -1.745 1.00 51.42 C ATOM 1293 O SER A 85 7.643 11.278 -2.582 1.00 33.53 O ATOM 1294 CB SER A 85 7.414 14.155 -0.644 1.00 33.53 C ATOM 1295 OG SER A 85 8.030 14.840 0.433 1.00 71.31 O ATOM 0 H SER A 85 9.517 12.181 -1.677 1.00 33.23 H new ATOM 0 HA SER A 85 7.458 12.239 0.328 1.00 21.42 H new ATOM 0 HB2 SER A 85 7.732 14.596 -1.589 1.00 33.53 H new ATOM 0 HB3 SER A 85 6.332 14.275 -0.584 1.00 33.53 H new ATOM 0 HG SER A 85 8.364 14.190 1.086 1.00 71.31 H new ATOM 1301 N LYS A 86 5.708 12.073 -1.755 1.00 52.01 N ATOM 1302 CA LYS A 86 4.882 11.433 -2.772 1.00 63.51 C ATOM 1303 C LYS A 86 4.609 12.386 -3.931 1.00 12.12 C ATOM 1304 O LYS A 86 3.981 13.429 -3.753 1.00 10.50 O ATOM 1305 CB LYS A 86 3.560 10.961 -2.163 1.00 10.35 C ATOM 1306 CG LYS A 86 3.394 9.451 -2.162 1.00 5.54 C ATOM 1307 CD LYS A 86 4.196 8.803 -1.045 1.00 42.34 C ATOM 1308 CE LYS A 86 3.325 8.502 0.164 1.00 33.51 C ATOM 1309 NZ LYS A 86 4.116 8.476 1.425 1.00 11.44 N ATOM 0 H LYS A 86 5.185 12.618 -1.069 1.00 52.01 H new ATOM 0 HA LYS A 86 5.426 10.570 -3.155 1.00 63.51 H new ATOM 0 HB2 LYS A 86 3.491 11.326 -1.138 1.00 10.35 H new ATOM 0 HB3 LYS A 86 2.735 11.408 -2.717 1.00 10.35 H new ATOM 0 HG2 LYS A 86 2.340 9.200 -2.047 1.00 5.54 H new ATOM 0 HG3 LYS A 86 3.715 9.048 -3.123 1.00 5.54 H new ATOM 0 HD2 LYS A 86 4.648 7.880 -1.408 1.00 42.34 H new ATOM 0 HD3 LYS A 86 5.012 9.463 -0.751 1.00 42.34 H new ATOM 0 HE2 LYS A 86 2.541 9.255 0.243 1.00 33.51 H new ATOM 0 HE3 LYS A 86 2.831 7.540 0.025 1.00 33.51 H new ATOM 0 HZ1 LYS A 86 3.486 8.268 2.226 1.00 11.44 H new ATOM 0 HZ2 LYS A 86 4.848 7.741 1.360 1.00 11.44 H new ATOM 0 HZ3 LYS A 86 4.567 9.402 1.571 1.00 11.44 H new ATOM 1323 N MET A 87 5.083 12.020 -5.117 1.00 70.11 N ATOM 1324 CA MET A 87 4.887 12.842 -6.305 1.00 55.42 C ATOM 1325 C MET A 87 3.423 12.836 -6.735 1.00 70.21 C ATOM 1326 O MET A 87 2.960 13.759 -7.404 1.00 72.21 O ATOM 1327 CB MET A 87 5.769 12.341 -7.450 1.00 53.22 C ATOM 1328 CG MET A 87 5.158 11.187 -8.227 1.00 72.45 C ATOM 1329 SD MET A 87 4.298 11.729 -9.717 1.00 5.52 S ATOM 1330 CE MET A 87 4.148 10.181 -10.604 1.00 43.15 C ATOM 0 H MET A 87 5.606 11.160 -5.281 1.00 70.11 H new ATOM 0 HA MET A 87 5.171 13.865 -6.059 1.00 55.42 H new ATOM 0 HB2 MET A 87 5.965 13.166 -8.135 1.00 53.22 H new ATOM 0 HB3 MET A 87 6.731 12.027 -7.046 1.00 53.22 H new ATOM 0 HG2 MET A 87 5.944 10.483 -8.502 1.00 72.45 H new ATOM 0 HG3 MET A 87 4.460 10.651 -7.584 1.00 72.45 H new ATOM 0 HE1 MET A 87 3.938 10.382 -11.654 1.00 43.15 H new ATOM 0 HE2 MET A 87 5.080 9.622 -10.521 1.00 43.15 H new ATOM 0 HE3 MET A 87 3.334 9.595 -10.177 1.00 43.15 H new