USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 808 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 38 ASN : amide:sc= -0.318 X(o=-0.29,f=-0.58) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.0172 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.126 K(o=0.13,f=-3.8!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 136:sc= -0.391 (180deg=-0.748) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 15 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.41) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 20 THR OG1 : rot -98:sc= -2.12! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -1.02 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00466 X(o=-0.0047,f=-0.14) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -120:sc= -1.77 (180deg=-2.47) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.11 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.25 K(o=-1.2,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -2.02 K(o=-2,f=-0.66) USER MOD Single : A 65 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.1!) USER MOD Single : A 66 TYR OH : rot 116:sc= 0.196 USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= 0.427 (180deg=0.203) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-0.15) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 17:sc= 0.086! USER MOD Single : A 91 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.9!) USER MOD Single : A 92 ASN : amide:sc= -4.9! C(o=-4.9!,f=-3.4!) USER MOD Single : A 95 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-6.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.085 7.303 -20.383 1.00 73.32 N ATOM 2 CA GLY A 1 -5.367 8.461 -19.884 1.00 74.42 C ATOM 3 C GLY A 1 -5.406 8.560 -18.372 1.00 41.14 C ATOM 4 O GLY A 1 -6.382 8.151 -17.743 1.00 32.12 O ATOM 0 H1 GLY A 1 -6.470 7.513 -21.326 1.00 73.32 H new ATOM 0 H2 GLY A 1 -5.436 6.493 -20.446 1.00 73.32 H new ATOM 0 H3 GLY A 1 -6.865 7.072 -19.735 1.00 73.32 H new ATOM 0 HA2 GLY A 1 -4.330 8.412 -20.215 1.00 74.42 H new ATOM 0 HA3 GLY A 1 -5.797 9.365 -20.315 1.00 74.42 H new ATOM 8 N ALA A 2 -4.343 9.103 -17.788 1.00 22.42 N ATOM 9 CA ALA A 2 -4.260 9.255 -16.341 1.00 14.31 C ATOM 10 C ALA A 2 -3.205 10.286 -15.957 1.00 21.20 C ATOM 11 O ALA A 2 -2.137 10.350 -16.563 1.00 54.32 O ATOM 12 CB ALA A 2 -3.956 7.915 -15.687 1.00 30.43 C ATOM 0 H ALA A 2 -3.527 9.445 -18.295 1.00 22.42 H new ATOM 0 HA ALA A 2 -5.225 9.612 -15.981 1.00 14.31 H new ATOM 0 HB1 ALA A 2 -3.897 8.043 -14.606 1.00 30.43 H new ATOM 0 HB2 ALA A 2 -4.748 7.206 -15.926 1.00 30.43 H new ATOM 0 HB3 ALA A 2 -3.005 7.535 -16.060 1.00 30.43 H new ATOM 18 N MET A 3 -3.513 11.092 -14.945 1.00 21.15 N ATOM 19 CA MET A 3 -2.590 12.120 -14.480 1.00 32.52 C ATOM 20 C MET A 3 -2.098 11.812 -13.069 1.00 1.14 C ATOM 21 O MET A 3 -2.676 10.983 -12.367 1.00 34.44 O ATOM 22 CB MET A 3 -3.265 13.493 -14.508 1.00 70.51 C ATOM 23 CG MET A 3 -2.284 14.653 -14.560 1.00 63.43 C ATOM 24 SD MET A 3 -2.954 16.092 -15.413 1.00 73.22 S ATOM 25 CE MET A 3 -2.988 17.289 -14.082 1.00 34.44 C ATOM 0 H MET A 3 -4.394 11.052 -14.432 1.00 21.15 H new ATOM 0 HA MET A 3 -1.731 12.131 -15.151 1.00 32.52 H new ATOM 0 HB2 MET A 3 -3.924 13.547 -15.374 1.00 70.51 H new ATOM 0 HB3 MET A 3 -3.892 13.598 -13.623 1.00 70.51 H new ATOM 0 HG2 MET A 3 -2.006 14.934 -13.544 1.00 63.43 H new ATOM 0 HG3 MET A 3 -1.372 14.330 -15.062 1.00 63.43 H new ATOM 0 HE1 MET A 3 -3.380 18.236 -14.454 1.00 34.44 H new ATOM 0 HE2 MET A 3 -3.627 16.922 -13.279 1.00 34.44 H new ATOM 0 HE3 MET A 3 -1.978 17.439 -13.702 1.00 34.44 H new ATOM 35 N GLY A 4 -1.025 12.483 -12.660 1.00 71.02 N ATOM 36 CA GLY A 4 -0.474 12.265 -11.336 1.00 21.21 C ATOM 37 C GLY A 4 -0.223 13.562 -10.593 1.00 32.32 C ATOM 38 O GLY A 4 -0.962 14.533 -10.756 1.00 73.13 O ATOM 0 H GLY A 4 -0.528 13.174 -13.223 1.00 71.02 H new ATOM 0 HA2 GLY A 4 -1.159 11.645 -10.758 1.00 21.21 H new ATOM 0 HA3 GLY A 4 0.461 11.712 -11.421 1.00 21.21 H new ATOM 42 N ILE A 5 0.822 13.579 -9.772 1.00 25.33 N ATOM 43 CA ILE A 5 1.168 14.766 -9.000 1.00 35.52 C ATOM 44 C ILE A 5 2.661 15.061 -9.085 1.00 41.41 C ATOM 45 O ILE A 5 3.484 14.146 -9.127 1.00 32.33 O ATOM 46 CB ILE A 5 0.769 14.611 -7.521 1.00 44.05 C ATOM 47 CG1 ILE A 5 -0.712 14.247 -7.404 1.00 32.31 C ATOM 48 CG2 ILE A 5 1.067 15.892 -6.755 1.00 63.14 C ATOM 49 CD1 ILE A 5 -1.133 13.869 -6.001 1.00 72.53 C ATOM 0 H ILE A 5 1.444 12.784 -9.624 1.00 25.33 H new ATOM 0 HA ILE A 5 0.611 15.597 -9.432 1.00 35.52 H new ATOM 0 HB ILE A 5 1.357 13.804 -7.085 1.00 44.05 H new ATOM 0 HG12 ILE A 5 -1.313 15.092 -7.740 1.00 32.31 H new ATOM 0 HG13 ILE A 5 -0.928 13.416 -8.076 1.00 32.31 H new ATOM 0 HG21 ILE A 5 0.780 15.767 -5.711 1.00 63.14 H new ATOM 0 HG22 ILE A 5 2.133 16.112 -6.814 1.00 63.14 H new ATOM 0 HG23 ILE A 5 0.502 16.716 -7.191 1.00 63.14 H new ATOM 0 HD11 ILE A 5 -2.195 13.623 -5.994 1.00 72.53 H new ATOM 0 HD12 ILE A 5 -0.558 13.004 -5.669 1.00 72.53 H new ATOM 0 HD13 ILE A 5 -0.950 14.707 -5.328 1.00 72.53 H new ATOM 61 N ARG A 6 3.005 16.345 -9.106 1.00 74.21 N ATOM 62 CA ARG A 6 4.401 16.760 -9.185 1.00 35.21 C ATOM 63 C ARG A 6 4.773 17.641 -7.995 1.00 33.14 C ATOM 64 O ARG A 6 3.976 18.462 -7.544 1.00 23.44 O ATOM 65 CB ARG A 6 4.658 17.515 -10.491 1.00 14.54 C ATOM 66 CG ARG A 6 6.123 17.833 -10.732 1.00 13.20 C ATOM 67 CD ARG A 6 6.853 16.655 -11.360 1.00 32.21 C ATOM 68 NE ARG A 6 8.007 17.082 -12.147 1.00 15.01 N ATOM 69 CZ ARG A 6 9.006 16.275 -12.484 1.00 41.31 C ATOM 70 NH1 ARG A 6 8.993 15.005 -12.106 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 10.021 16.739 -13.203 1.00 20.21 N ATOM 0 H ARG A 6 2.337 17.115 -9.069 1.00 74.21 H new ATOM 0 HA ARG A 6 5.022 15.865 -9.162 1.00 35.21 H new ATOM 0 HB2 ARG A 6 4.282 16.921 -11.324 1.00 14.54 H new ATOM 0 HB3 ARG A 6 4.090 18.445 -10.481 1.00 14.54 H new ATOM 0 HG2 ARG A 6 6.205 18.703 -11.384 1.00 13.20 H new ATOM 0 HG3 ARG A 6 6.599 18.096 -9.788 1.00 13.20 H new ATOM 0 HD2 ARG A 6 7.181 15.973 -10.576 1.00 32.21 H new ATOM 0 HD3 ARG A 6 6.165 16.100 -11.998 1.00 32.21 H new ATOM 0 HE ARG A 6 8.048 18.054 -12.455 1.00 15.01 H new ATOM 0 HH11 ARG A 6 8.214 14.645 -11.555 1.00 20.30 H new ATOM 0 HH12 ARG A 6 9.762 14.387 -12.366 1.00 20.30 H new ATOM 0 HH21 ARG A 6 10.034 17.716 -13.497 1.00 20.21 H new ATOM 0 HH22 ARG A 6 10.788 16.119 -13.462 1.00 20.21 H new ATOM 85 N ASN A 7 5.990 17.463 -7.492 1.00 22.05 N ATOM 86 CA ASN A 7 6.468 18.239 -6.354 1.00 41.24 C ATOM 87 C ASN A 7 7.412 19.348 -6.811 1.00 31.14 C ATOM 88 O ASN A 7 7.701 19.480 -7.999 1.00 14.33 O ATOM 89 CB ASN A 7 7.179 17.329 -5.351 1.00 62.11 C ATOM 90 CG ASN A 7 7.044 17.826 -3.924 1.00 21.54 C ATOM 91 OD1 ASN A 7 6.495 18.899 -3.678 1.00 44.51 O ATOM 92 ND2 ASN A 7 7.547 17.043 -2.976 1.00 3.12 N ATOM 0 H ASN A 7 6.663 16.788 -7.855 1.00 22.05 H new ATOM 0 HA ASN A 7 5.605 18.696 -5.870 1.00 41.24 H new ATOM 0 HB2 ASN A 7 6.768 16.322 -5.423 1.00 62.11 H new ATOM 0 HB3 ASN A 7 8.235 17.261 -5.611 1.00 62.11 H new ATOM 0 HD21 ASN A 7 7.486 17.324 -1.997 1.00 3.12 H new ATOM 0 HD22 ASN A 7 7.994 16.161 -3.227 1.00 3.12 H new ATOM 99 N SER A 8 7.890 20.141 -5.857 1.00 24.22 N ATOM 100 CA SER A 8 8.798 21.240 -6.160 1.00 22.12 C ATOM 101 C SER A 8 9.800 21.446 -5.028 1.00 52.21 C ATOM 102 O SER A 8 9.818 20.690 -4.057 1.00 13.32 O ATOM 103 CB SER A 8 8.011 22.530 -6.401 1.00 33.23 C ATOM 104 OG SER A 8 8.772 23.460 -7.152 1.00 33.12 O ATOM 0 H SER A 8 7.663 20.042 -4.867 1.00 24.22 H new ATOM 0 HA SER A 8 9.347 20.984 -7.066 1.00 22.12 H new ATOM 0 HB2 SER A 8 7.086 22.302 -6.930 1.00 33.23 H new ATOM 0 HB3 SER A 8 7.731 22.973 -5.445 1.00 33.23 H new ATOM 0 HG SER A 8 8.246 24.275 -7.294 1.00 33.12 H new ATOM 110 N ASP A 9 10.631 22.474 -5.161 1.00 22.51 N ATOM 111 CA ASP A 9 11.635 22.781 -4.149 1.00 21.32 C ATOM 112 C ASP A 9 11.000 23.468 -2.944 1.00 15.34 C ATOM 113 O ASP A 9 10.972 22.916 -1.844 1.00 53.40 O ATOM 114 CB ASP A 9 12.730 23.670 -4.740 1.00 63.52 C ATOM 115 CG ASP A 9 13.037 23.327 -6.184 1.00 15.42 C ATOM 116 OD1 ASP A 9 13.055 22.124 -6.517 1.00 72.34 O1- ATOM 117 OD2 ASP A 9 13.261 24.262 -6.982 1.00 63.00 O ATOM 0 H ASP A 9 10.629 23.109 -5.960 1.00 22.51 H new ATOM 0 HA ASP A 9 12.079 21.843 -3.817 1.00 21.32 H new ATOM 0 HB2 ASP A 9 12.421 24.713 -4.675 1.00 63.52 H new ATOM 0 HB3 ASP A 9 13.637 23.568 -4.145 1.00 63.52 H new ATOM 122 N SER A 10 10.491 24.678 -3.159 1.00 51.35 N ATOM 123 CA SER A 10 9.861 25.443 -2.089 1.00 53.41 C ATOM 124 C SER A 10 10.864 25.760 -0.984 1.00 5.23 C ATOM 125 O SER A 10 10.688 25.352 0.164 1.00 2.34 O ATOM 126 CB SER A 10 8.674 24.670 -1.511 1.00 3.51 C ATOM 127 OG SER A 10 7.856 24.144 -2.543 1.00 14.25 O ATOM 0 H SER A 10 10.503 25.149 -4.064 1.00 51.35 H new ATOM 0 HA SER A 10 9.503 26.382 -2.510 1.00 53.41 H new ATOM 0 HB2 SER A 10 9.037 23.858 -0.881 1.00 3.51 H new ATOM 0 HB3 SER A 10 8.083 25.328 -0.874 1.00 3.51 H new ATOM 0 HG SER A 10 7.106 23.653 -2.148 1.00 14.25 H new ATOM 133 N VAL A 11 11.916 26.489 -1.340 1.00 42.41 N ATOM 134 CA VAL A 11 12.948 26.862 -0.380 1.00 30.25 C ATOM 135 C VAL A 11 12.452 27.953 0.563 1.00 41.31 C ATOM 136 O VAL A 11 11.609 28.772 0.194 1.00 21.42 O ATOM 137 CB VAL A 11 14.225 27.351 -1.088 1.00 54.01 C ATOM 138 CG1 VAL A 11 15.353 27.538 -0.085 1.00 73.13 C ATOM 139 CG2 VAL A 11 14.631 26.377 -2.184 1.00 11.35 C ATOM 0 H VAL A 11 12.076 26.833 -2.287 1.00 42.41 H new ATOM 0 HA VAL A 11 13.183 25.967 0.196 1.00 30.25 H new ATOM 0 HB VAL A 11 14.018 28.317 -1.549 1.00 54.01 H new ATOM 0 HG11 VAL A 11 16.247 27.884 -0.603 1.00 73.13 H new ATOM 0 HG12 VAL A 11 15.058 28.276 0.661 1.00 73.13 H new ATOM 0 HG13 VAL A 11 15.563 26.588 0.407 1.00 73.13 H new ATOM 0 HG21 VAL A 11 15.535 26.737 -2.674 1.00 11.35 H new ATOM 0 HG22 VAL A 11 14.821 25.397 -1.747 1.00 11.35 H new ATOM 0 HG23 VAL A 11 13.828 26.298 -2.917 1.00 11.35 H new ATOM 149 N LYS A 12 12.983 27.961 1.781 1.00 62.13 N ATOM 150 CA LYS A 12 12.597 28.954 2.777 1.00 73.34 C ATOM 151 C LYS A 12 13.786 29.828 3.164 1.00 3.33 C ATOM 152 O LYS A 12 14.304 29.756 4.277 1.00 14.33 O ATOM 153 CB LYS A 12 12.032 28.264 4.022 1.00 2.21 C ATOM 154 CG LYS A 12 10.531 28.042 3.965 1.00 61.00 C ATOM 155 CD LYS A 12 10.190 26.690 3.360 1.00 54.34 C ATOM 156 CE LYS A 12 8.687 26.464 3.312 1.00 72.12 C ATOM 157 NZ LYS A 12 7.978 27.588 2.639 1.00 15.34 N1+ ATOM 0 H LYS A 12 13.682 27.291 2.102 1.00 62.13 H new ATOM 0 HA LYS A 12 11.828 29.590 2.340 1.00 73.34 H new ATOM 0 HB2 LYS A 12 12.529 27.302 4.151 1.00 2.21 H new ATOM 0 HB3 LYS A 12 12.269 28.865 4.900 1.00 2.21 H new ATOM 0 HG2 LYS A 12 10.114 28.108 4.970 1.00 61.00 H new ATOM 0 HG3 LYS A 12 10.067 28.833 3.375 1.00 61.00 H new ATOM 0 HD2 LYS A 12 10.601 26.627 2.352 1.00 54.34 H new ATOM 0 HD3 LYS A 12 10.659 25.899 3.945 1.00 54.34 H new ATOM 0 HE2 LYS A 12 8.476 25.534 2.784 1.00 72.12 H new ATOM 0 HE3 LYS A 12 8.305 26.349 4.326 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 7.263 27.207 1.987 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 7.512 28.182 3.354 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 8.663 28.161 2.105 1.00 15.34 H new ATOM 171 N PRO A 13 14.230 30.675 2.222 1.00 65.41 N ATOM 172 CA PRO A 13 15.361 31.581 2.441 1.00 11.50 C ATOM 173 C PRO A 13 15.028 32.695 3.427 1.00 11.34 C ATOM 174 O PRO A 13 13.872 33.101 3.555 1.00 73.15 O ATOM 175 CB PRO A 13 15.628 32.159 1.050 1.00 0.34 C ATOM 176 CG PRO A 13 14.322 32.054 0.340 1.00 53.31 C ATOM 177 CD PRO A 13 13.660 30.813 0.871 1.00 75.22 C ATOM 0 HA PRO A 13 16.218 31.066 2.874 1.00 11.50 H new ATOM 0 HB2 PRO A 13 15.965 33.194 1.109 1.00 0.34 H new ATOM 0 HB3 PRO A 13 16.407 31.600 0.532 1.00 0.34 H new ATOM 0 HG2 PRO A 13 13.706 32.934 0.524 1.00 53.31 H new ATOM 0 HG3 PRO A 13 14.468 31.987 -0.738 1.00 53.31 H new ATOM 0 HD2 PRO A 13 12.575 30.917 0.901 1.00 75.22 H new ATOM 0 HD3 PRO A 13 13.880 29.944 0.251 1.00 75.22 H new ATOM 185 N THR A 14 16.048 33.189 4.121 1.00 50.15 N ATOM 186 CA THR A 14 15.864 34.257 5.096 1.00 1.34 C ATOM 187 C THR A 14 15.120 35.438 4.483 1.00 54.32 C ATOM 188 O THR A 14 15.344 35.791 3.327 1.00 63.22 O ATOM 189 CB THR A 14 17.214 34.748 5.652 1.00 4.25 C ATOM 190 OG1 THR A 14 18.191 33.706 5.561 1.00 32.32 O ATOM 191 CG2 THR A 14 17.073 35.192 7.100 1.00 71.31 C ATOM 0 H THR A 14 17.011 32.866 4.026 1.00 50.15 H new ATOM 0 HA THR A 14 15.272 33.842 5.912 1.00 1.34 H new ATOM 0 HB THR A 14 17.538 35.601 5.056 1.00 4.25 H new ATOM 0 HG1 THR A 14 19.046 34.028 5.915 1.00 32.32 H new ATOM 0 HG21 THR A 14 18.039 35.535 7.471 1.00 71.31 H new ATOM 0 HG22 THR A 14 16.351 36.006 7.162 1.00 71.31 H new ATOM 0 HG23 THR A 14 16.728 34.354 7.706 1.00 71.31 H new ATOM 199 N GLN A 15 14.233 36.042 5.267 1.00 40.52 N ATOM 200 CA GLN A 15 13.454 37.183 4.801 1.00 43.15 C ATOM 201 C GLN A 15 13.039 38.073 5.968 1.00 33.21 C ATOM 202 O GLN A 15 13.366 37.792 7.120 1.00 53.53 O ATOM 203 CB GLN A 15 12.215 36.706 4.041 1.00 31.55 C ATOM 204 CG GLN A 15 12.486 36.376 2.582 1.00 43.34 C ATOM 205 CD GLN A 15 13.100 37.537 1.825 1.00 4.04 C ATOM 206 OE1 GLN A 15 12.632 38.672 1.918 1.00 13.04 O ATOM 207 NE2 GLN A 15 14.156 37.259 1.069 1.00 54.10 N ATOM 0 H GLN A 15 14.036 35.760 6.227 1.00 40.52 H new ATOM 0 HA GLN A 15 14.081 37.768 4.128 1.00 43.15 H new ATOM 0 HB2 GLN A 15 11.813 35.822 4.536 1.00 31.55 H new ATOM 0 HB3 GLN A 15 11.447 37.478 4.094 1.00 31.55 H new ATOM 0 HG2 GLN A 15 13.154 35.517 2.526 1.00 43.34 H new ATOM 0 HG3 GLN A 15 11.553 36.086 2.100 1.00 43.34 H new ATOM 0 HE21 GLN A 15 14.511 36.304 1.021 1.00 54.10 H new ATOM 0 HE22 GLN A 15 14.612 38.000 0.537 1.00 54.10 H new ATOM 216 N GLN A 16 12.318 39.146 5.659 1.00 34.12 N ATOM 217 CA GLN A 16 11.860 40.078 6.683 1.00 54.22 C ATOM 218 C GLN A 16 10.473 39.693 7.188 1.00 30.53 C ATOM 219 O GLN A 16 10.145 39.905 8.355 1.00 42.22 O ATOM 220 CB GLN A 16 11.837 41.505 6.132 1.00 60.44 C ATOM 221 CG GLN A 16 12.997 41.815 5.201 1.00 73.51 C ATOM 222 CD GLN A 16 13.042 43.275 4.792 1.00 50.44 C ATOM 223 OE1 GLN A 16 13.157 44.164 5.635 1.00 75.13 O ATOM 224 NE2 GLN A 16 12.950 43.528 3.492 1.00 74.11 N ATOM 0 H GLN A 16 12.039 39.391 4.709 1.00 34.12 H new ATOM 0 HA GLN A 16 12.558 40.031 7.519 1.00 54.22 H new ATOM 0 HB2 GLN A 16 10.900 41.664 5.598 1.00 60.44 H new ATOM 0 HB3 GLN A 16 11.852 42.208 6.965 1.00 60.44 H new ATOM 0 HG2 GLN A 16 13.933 41.550 5.692 1.00 73.51 H new ATOM 0 HG3 GLN A 16 12.918 41.194 4.309 1.00 73.51 H new ATOM 0 HE21 GLN A 16 12.856 42.759 2.828 1.00 74.11 H new ATOM 0 HE22 GLN A 16 12.974 44.491 3.157 1.00 74.11 H new ATOM 233 N ALA A 17 9.662 39.125 6.300 1.00 72.44 N ATOM 234 CA ALA A 17 8.311 38.708 6.657 1.00 21.42 C ATOM 235 C ALA A 17 8.331 37.703 7.803 1.00 22.12 C ATOM 236 O ALA A 17 8.882 36.610 7.674 1.00 4.12 O ATOM 237 CB ALA A 17 7.605 38.117 5.446 1.00 42.13 C ATOM 0 H ALA A 17 9.917 38.943 5.329 1.00 72.44 H new ATOM 0 HA ALA A 17 7.762 39.588 6.991 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.597 37.810 5.726 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.549 38.866 4.656 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.162 37.251 5.087 1.00 42.13 H new ATOM 243 N ARG A 18 7.727 38.081 8.925 1.00 33.52 N ATOM 244 CA ARG A 18 7.677 37.214 10.095 1.00 13.22 C ATOM 245 C ARG A 18 7.171 35.823 9.720 1.00 32.13 C ATOM 246 O ARG A 18 5.994 35.626 9.415 1.00 45.04 O ATOM 247 CB ARG A 18 6.776 37.823 11.171 1.00 74.21 C ATOM 248 CG ARG A 18 7.104 37.352 12.579 1.00 51.14 C ATOM 249 CD ARG A 18 6.601 35.937 12.824 1.00 72.54 C ATOM 250 NE ARG A 18 6.737 35.543 14.223 1.00 24.34 N ATOM 251 CZ ARG A 18 7.884 35.161 14.771 1.00 34.35 C ATOM 252 NH1 ARG A 18 8.991 35.122 14.043 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 7.927 34.817 16.052 1.00 44.41 N ATOM 0 H ARG A 18 7.265 38.982 9.048 1.00 33.52 H new ATOM 0 HA ARG A 18 8.689 37.120 10.489 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.860 38.909 11.131 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.738 37.576 10.947 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.182 37.388 12.734 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.655 38.030 13.305 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.554 35.868 12.528 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.157 35.241 12.196 1.00 72.54 H new ATOM 0 HE ARG A 18 5.905 35.562 14.812 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.963 35.386 13.058 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.871 34.828 14.468 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.078 34.846 16.617 1.00 44.41 H new ATOM 0 HH22 ARG A 18 8.809 34.524 16.472 1.00 44.41 H new ATOM 267 N PRO A 19 8.078 34.836 9.742 1.00 42.30 N ATOM 268 CA PRO A 19 7.746 33.449 9.407 1.00 72.54 C ATOM 269 C PRO A 19 6.864 32.792 10.463 1.00 40.44 C ATOM 270 O PRO A 19 7.038 33.018 11.661 1.00 14.01 O ATOM 271 CB PRO A 19 9.114 32.761 9.351 1.00 10.11 C ATOM 272 CG PRO A 19 9.988 33.584 10.232 1.00 63.22 C ATOM 273 CD PRO A 19 9.498 35.000 10.096 1.00 44.21 C ATOM 0 HA PRO A 19 7.179 33.379 8.479 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.054 31.731 9.703 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.499 32.727 8.332 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.926 33.248 11.267 1.00 63.22 H new ATOM 0 HG3 PRO A 19 11.033 33.502 9.932 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.619 35.558 11.024 1.00 44.21 H new ATOM 0 HD3 PRO A 19 10.045 35.542 9.324 1.00 44.21 H new ATOM 281 N THR A 20 5.915 31.978 10.012 1.00 65.22 N ATOM 282 CA THR A 20 5.004 31.289 10.918 1.00 1.42 C ATOM 283 C THR A 20 5.213 29.780 10.865 1.00 44.04 C ATOM 284 O THR A 20 5.147 29.171 9.798 1.00 14.52 O ATOM 285 CB THR A 20 3.534 31.604 10.583 1.00 74.14 C ATOM 286 OG1 THR A 20 3.315 33.019 10.621 1.00 14.13 O ATOM 287 CG2 THR A 20 2.597 30.915 11.563 1.00 21.30 C ATOM 0 H THR A 20 5.757 31.780 9.024 1.00 65.22 H new ATOM 0 HA THR A 20 5.225 31.649 11.923 1.00 1.42 H new ATOM 0 HB THR A 20 3.325 31.231 9.580 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.925 33.267 11.485 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.564 31.152 11.307 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.745 29.836 11.511 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.809 31.262 12.574 1.00 21.30 H new ATOM 295 N VAL A 21 5.464 29.181 12.025 1.00 72.24 N ATOM 296 CA VAL A 21 5.681 27.742 12.111 1.00 21.13 C ATOM 297 C VAL A 21 4.454 27.034 12.674 1.00 13.22 C ATOM 298 O VAL A 21 3.883 27.463 13.677 1.00 54.24 O ATOM 299 CB VAL A 21 6.901 27.410 12.991 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.744 28.023 14.374 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.095 25.903 13.085 1.00 62.22 C ATOM 0 H VAL A 21 5.522 29.670 12.918 1.00 72.24 H new ATOM 0 HA VAL A 21 5.867 27.389 11.097 1.00 21.13 H new ATOM 0 HB VAL A 21 7.789 27.840 12.528 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.615 27.778 14.982 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.657 29.106 14.284 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.847 27.625 14.849 1.00 41.02 H new ATOM 0 HG21 VAL A 21 7.961 25.686 13.710 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.207 25.449 13.525 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.256 25.494 12.088 1.00 62.22 H new ATOM 311 N ILE A 22 4.054 25.948 12.022 1.00 3.43 N ATOM 312 CA ILE A 22 2.895 25.179 12.460 1.00 12.44 C ATOM 313 C ILE A 22 3.281 23.740 12.785 1.00 32.43 C ATOM 314 O ILE A 22 4.018 23.100 12.035 1.00 24.12 O ATOM 315 CB ILE A 22 1.787 25.173 11.390 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.499 26.599 10.917 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.525 24.524 11.938 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.433 26.675 9.845 1.00 60.50 C ATOM 0 H ILE A 22 4.514 25.581 11.189 1.00 3.43 H new ATOM 0 HA ILE A 22 2.517 25.663 13.360 1.00 12.44 H new ATOM 0 HB ILE A 22 2.129 24.589 10.535 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.188 27.201 11.771 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.420 27.040 10.535 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.249 24.527 11.170 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.742 23.497 12.230 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.176 25.082 12.807 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.280 27.715 9.557 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.750 26.100 8.975 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.500 26.264 10.230 1.00 60.50 H new ATOM 330 N ARG A 23 2.775 23.236 13.906 1.00 11.32 N ATOM 331 CA ARG A 23 3.066 21.872 14.330 1.00 71.41 C ATOM 332 C ARG A 23 1.892 20.945 14.024 1.00 72.25 C ATOM 333 O ARG A 23 0.732 21.321 14.194 1.00 15.13 O ATOM 334 CB ARG A 23 3.382 21.836 15.826 1.00 10.01 C ATOM 335 CG ARG A 23 3.914 20.495 16.304 1.00 51.15 C ATOM 336 CD ARG A 23 3.799 20.357 17.814 1.00 13.14 C ATOM 337 NE ARG A 23 4.918 20.990 18.508 1.00 73.24 N ATOM 338 CZ ARG A 23 5.192 20.793 19.792 1.00 1.22 C ATOM 339 NH1 ARG A 23 4.435 19.983 20.520 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 6.228 21.404 20.352 1.00 60.42 N ATOM 0 H ARG A 23 2.162 23.752 14.537 1.00 11.32 H new ATOM 0 HA ARG A 23 3.936 21.524 13.774 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.115 22.610 16.053 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.479 22.079 16.385 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.361 19.690 15.821 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.957 20.389 16.006 1.00 51.15 H new ATOM 0 HD2 ARG A 23 2.864 20.806 18.149 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.758 19.301 18.080 1.00 13.14 H new ATOM 0 HE ARG A 23 5.522 21.618 17.977 1.00 73.24 H new ATOM 0 HH11 ARG A 23 3.639 19.509 20.094 1.00 61.23 H new ATOM 0 HH12 ARG A 23 4.649 19.834 21.506 1.00 61.23 H new ATOM 0 HH21 ARG A 23 6.815 22.026 19.796 1.00 60.42 H new ATOM 0 HH22 ARG A 23 6.438 21.252 21.339 1.00 60.42 H new ATOM 354 N TRP A 24 2.203 19.736 13.572 1.00 3.23 N ATOM 355 CA TRP A 24 1.173 18.757 13.242 1.00 15.23 C ATOM 356 C TRP A 24 1.284 17.527 14.138 1.00 63.45 C ATOM 357 O TRP A 24 2.376 16.998 14.348 1.00 54.01 O ATOM 358 CB TRP A 24 1.284 18.345 11.773 1.00 72.25 C ATOM 359 CG TRP A 24 0.387 17.201 11.408 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.762 15.911 11.165 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.034 17.245 11.241 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.340 15.150 10.858 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.454 15.946 10.899 1.00 15.10 C ATOM 364 CE3 TRP A 24 -1.993 18.256 11.351 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.791 15.633 10.665 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.319 17.945 11.117 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.708 16.642 10.778 1.00 33.23 C ATOM 0 H TRP A 24 3.158 19.410 13.426 1.00 3.23 H new ATOM 0 HA TRP A 24 0.200 19.219 13.410 1.00 15.23 H new ATOM 0 HB2 TRP A 24 1.043 19.202 11.144 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.317 18.071 11.557 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.776 15.543 11.208 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.330 14.155 10.636 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.703 19.262 11.614 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.093 14.630 10.404 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.068 18.719 11.197 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.752 16.430 10.602 1.00 33.23 H new ATOM 378 N SER A 25 0.149 17.077 14.662 1.00 32.42 N ATOM 379 CA SER A 25 0.120 15.912 15.538 1.00 61.31 C ATOM 380 C SER A 25 -0.923 14.904 15.067 1.00 1.43 C ATOM 381 O SER A 25 -2.124 15.176 15.099 1.00 0.20 O ATOM 382 CB SER A 25 -0.178 16.337 16.977 1.00 74.14 C ATOM 383 OG SER A 25 -0.363 15.208 17.814 1.00 11.02 O ATOM 0 H SER A 25 -0.763 17.502 14.495 1.00 32.42 H new ATOM 0 HA SER A 25 1.100 15.437 15.503 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.643 16.945 17.357 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.072 16.960 16.998 1.00 74.14 H new ATOM 0 HG SER A 25 -0.551 15.506 18.729 1.00 11.02 H new ATOM 389 N GLU A 26 -0.457 13.739 14.629 1.00 53.04 N ATOM 390 CA GLU A 26 -1.350 12.690 14.150 1.00 60.10 C ATOM 391 C GLU A 26 -0.644 11.337 14.141 1.00 74.23 C ATOM 392 O GLU A 26 -1.202 10.330 14.575 1.00 22.33 O ATOM 393 CB GLU A 26 -1.856 13.022 12.746 1.00 62.15 C ATOM 394 CG GLU A 26 -3.084 12.227 12.337 1.00 12.22 C ATOM 395 CD GLU A 26 -3.048 11.803 10.881 1.00 34.13 C ATOM 396 OE1 GLU A 26 -2.074 11.129 10.485 1.00 61.43 O ATOM 397 OE2 GLU A 26 -3.991 12.146 10.139 1.00 23.12 O1- ATOM 0 H GLU A 26 0.533 13.498 14.596 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.200 12.633 14.830 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.089 14.086 12.695 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.057 12.836 12.028 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.165 11.341 12.967 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.976 12.827 12.515 1.00 12.22 H new ATOM 404 N GLY A 27 0.589 11.322 13.642 1.00 15.14 N ATOM 405 CA GLY A 27 1.352 10.088 13.584 1.00 4.13 C ATOM 406 C GLY A 27 1.436 9.525 12.179 1.00 73.25 C ATOM 407 O GLY A 27 1.324 8.315 11.980 1.00 40.05 O ATOM 0 H GLY A 27 1.073 12.142 13.277 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.359 10.269 13.961 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.893 9.349 14.241 1.00 4.13 H new ATOM 411 N GLY A 28 1.634 10.404 11.202 1.00 1.41 N ATOM 412 CA GLY A 28 1.728 9.968 9.820 1.00 61.23 C ATOM 413 C GLY A 28 3.163 9.869 9.341 1.00 31.04 C ATOM 414 O GLY A 28 4.095 10.192 10.076 1.00 11.20 O ATOM 0 H GLY A 28 1.731 11.410 11.342 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.245 8.997 9.715 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.183 10.666 9.184 1.00 61.23 H new ATOM 418 N LYS A 29 3.341 9.420 8.102 1.00 2.02 N ATOM 419 CA LYS A 29 4.672 9.279 7.524 1.00 70.24 C ATOM 420 C LYS A 29 4.980 10.437 6.580 1.00 44.33 C ATOM 421 O LYS A 29 6.129 10.862 6.459 1.00 44.34 O ATOM 422 CB LYS A 29 4.787 7.950 6.773 1.00 33.13 C ATOM 423 CG LYS A 29 3.649 7.704 5.797 1.00 54.20 C ATOM 424 CD LYS A 29 2.606 6.767 6.381 1.00 2.42 C ATOM 425 CE LYS A 29 2.967 5.310 6.141 1.00 32.15 C ATOM 426 NZ LYS A 29 1.943 4.385 6.700 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.580 9.148 7.480 1.00 2.02 H new ATOM 0 HA LYS A 29 5.397 9.293 8.337 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.732 7.930 6.230 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.817 7.135 7.496 1.00 33.13 H new ATOM 0 HG2 LYS A 29 3.181 8.653 5.536 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.045 7.279 4.875 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.512 6.948 7.452 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.634 6.980 5.936 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.070 5.133 5.070 1.00 32.15 H new ATOM 0 HE3 LYS A 29 3.935 5.096 6.594 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.226 3.401 6.516 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.862 4.536 7.726 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 1.024 4.571 6.249 1.00 31.05 H new ATOM 440 N GLU A 30 3.948 10.944 5.915 1.00 70.41 N ATOM 441 CA GLU A 30 4.110 12.053 4.981 1.00 31.12 C ATOM 442 C GLU A 30 3.074 13.142 5.246 1.00 62.13 C ATOM 443 O GLU A 30 1.871 12.916 5.116 1.00 50.04 O ATOM 444 CB GLU A 30 3.987 11.557 3.540 1.00 52.54 C ATOM 445 CG GLU A 30 4.998 10.482 3.177 1.00 64.11 C ATOM 446 CD GLU A 30 6.399 11.034 3.001 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.552 12.273 2.998 1.00 41.54 O ATOM 448 OE2 GLU A 30 7.343 10.227 2.867 1.00 24.13 O1- ATOM 0 H GLU A 30 2.990 10.605 6.005 1.00 70.41 H new ATOM 0 HA GLU A 30 5.104 12.477 5.128 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.982 11.166 3.384 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.109 12.402 2.862 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.007 9.719 3.956 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.686 9.992 2.255 1.00 64.11 H new ATOM 455 N VAL A 31 3.552 14.325 5.621 1.00 74.14 N ATOM 456 CA VAL A 31 2.669 15.450 5.904 1.00 50.44 C ATOM 457 C VAL A 31 3.058 16.675 5.083 1.00 42.45 C ATOM 458 O VAL A 31 4.241 16.975 4.919 1.00 5.15 O ATOM 459 CB VAL A 31 2.692 15.820 7.399 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.629 16.863 7.708 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.499 14.579 8.257 1.00 3.42 C ATOM 0 H VAL A 31 4.545 14.528 5.736 1.00 74.14 H new ATOM 0 HA VAL A 31 1.661 15.137 5.630 1.00 50.44 H new ATOM 0 HB VAL A 31 3.666 16.249 7.635 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.661 17.112 8.769 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.818 17.761 7.119 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.645 16.465 7.458 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.518 14.858 9.310 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.540 14.119 8.021 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.301 13.869 8.056 1.00 3.42 H new ATOM 471 N PHE A 32 2.055 17.380 4.569 1.00 3.30 N ATOM 472 CA PHE A 32 2.292 18.572 3.764 1.00 33.30 C ATOM 473 C PHE A 32 1.359 19.704 4.180 1.00 0.43 C ATOM 474 O PHE A 32 0.461 19.512 5.002 1.00 64.31 O ATOM 475 CB PHE A 32 2.100 18.257 2.280 1.00 54.22 C ATOM 476 CG PHE A 32 2.852 17.040 1.823 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.269 15.784 1.889 1.00 31.12 C ATOM 478 CD2 PHE A 32 4.141 17.150 1.326 1.00 61.04 C ATOM 479 CE1 PHE A 32 2.959 14.662 1.469 1.00 15.41 C ATOM 480 CE2 PHE A 32 4.835 16.031 0.906 1.00 62.11 C ATOM 481 CZ PHE A 32 4.243 14.786 0.977 1.00 40.11 C ATOM 0 H PHE A 32 1.070 17.146 4.696 1.00 3.30 H new ATOM 0 HA PHE A 32 3.320 18.893 3.930 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.038 18.114 2.082 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.421 19.115 1.690 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.265 15.681 2.273 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.609 18.122 1.266 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.494 13.689 1.526 1.00 15.41 H new ATOM 0 HE2 PHE A 32 5.840 16.131 0.523 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.783 13.911 0.648 1.00 40.11 H new ATOM 491 N ILE A 33 1.576 20.884 3.610 1.00 13.34 N ATOM 492 CA ILE A 33 0.754 22.046 3.921 1.00 72.44 C ATOM 493 C ILE A 33 0.571 22.934 2.694 1.00 11.41 C ATOM 494 O ILE A 33 1.487 23.091 1.886 1.00 13.30 O ATOM 495 CB ILE A 33 1.369 22.882 5.059 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.447 24.049 5.419 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.746 23.391 4.658 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.802 24.717 6.729 1.00 0.14 C ATOM 0 H ILE A 33 2.315 21.061 2.930 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.217 21.669 4.242 1.00 72.44 H new ATOM 0 HB ILE A 33 1.480 22.247 5.938 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.484 24.790 4.621 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.580 23.687 5.471 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.168 23.980 5.473 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.399 22.545 4.446 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.659 24.014 3.768 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.107 25.535 6.920 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.737 23.989 7.538 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.818 25.109 6.674 1.00 0.14 H new ATOM 510 N SER A 34 -0.617 23.516 2.562 1.00 74.21 N ATOM 511 CA SER A 34 -0.920 24.387 1.434 1.00 21.11 C ATOM 512 C SER A 34 -2.007 25.393 1.801 1.00 75.54 C ATOM 513 O SER A 34 -2.981 25.055 2.473 1.00 75.43 O ATOM 514 CB SER A 34 -1.365 23.558 0.227 1.00 25.35 C ATOM 515 OG SER A 34 -0.563 22.398 0.081 1.00 52.43 O ATOM 0 H SER A 34 -1.385 23.400 3.223 1.00 74.21 H new ATOM 0 HA SER A 34 -0.013 24.934 1.176 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.409 23.269 0.345 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.302 24.164 -0.677 1.00 25.35 H new ATOM 0 HG SER A 34 -0.868 21.885 -0.696 1.00 52.43 H new ATOM 521 N GLY A 35 -1.831 26.633 1.355 1.00 54.31 N ATOM 522 CA GLY A 35 -2.804 27.670 1.647 1.00 42.32 C ATOM 523 C GLY A 35 -2.692 28.852 0.704 1.00 45.21 C ATOM 524 O GLY A 35 -1.990 28.785 -0.306 1.00 21.03 O ATOM 0 H GLY A 35 -1.033 26.938 0.797 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.808 27.251 1.582 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.668 28.013 2.673 1.00 42.32 H new ATOM 528 N SER A 36 -3.387 29.937 1.031 1.00 75.24 N ATOM 529 CA SER A 36 -3.366 31.137 0.202 1.00 34.33 C ATOM 530 C SER A 36 -1.963 31.734 0.146 1.00 71.13 C ATOM 531 O SER A 36 -1.659 32.553 -0.722 1.00 4.31 O ATOM 532 CB SER A 36 -4.352 32.172 0.744 1.00 65.34 C ATOM 533 OG SER A 36 -4.208 33.413 0.074 1.00 13.12 O ATOM 0 H SER A 36 -3.971 30.010 1.864 1.00 75.24 H new ATOM 0 HA SER A 36 -3.663 30.857 -0.809 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.372 31.806 0.623 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.188 32.311 1.813 1.00 65.34 H new ATOM 0 HG SER A 36 -4.850 34.058 0.438 1.00 13.12 H new ATOM 539 N PHE A 37 -1.112 31.318 1.078 1.00 23.10 N ATOM 540 CA PHE A 37 0.259 31.812 1.137 1.00 11.12 C ATOM 541 C PHE A 37 1.091 31.242 -0.007 1.00 50.51 C ATOM 542 O PHE A 37 2.122 31.802 -0.380 1.00 73.12 O ATOM 543 CB PHE A 37 0.897 31.448 2.478 1.00 22.03 C ATOM 544 CG PHE A 37 0.977 29.968 2.723 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.006 29.217 2.181 1.00 4.33 C ATOM 546 CD2 PHE A 37 0.021 29.329 3.496 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.081 27.855 2.405 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.090 27.967 3.723 1.00 24.12 C ATOM 549 CZ PHE A 37 1.122 27.230 3.177 1.00 45.15 C ATOM 0 H PHE A 37 -1.347 30.640 1.803 1.00 23.10 H new ATOM 0 HA PHE A 37 0.233 32.897 1.038 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.901 31.870 2.520 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.324 31.911 3.281 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.759 29.701 1.576 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.787 29.902 3.926 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.889 27.280 1.977 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.662 27.480 4.326 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.179 26.166 3.354 1.00 45.15 H new ATOM 559 N ASN A 38 0.638 30.121 -0.561 1.00 22.03 N ATOM 560 CA ASN A 38 1.342 29.472 -1.661 1.00 73.21 C ATOM 561 C ASN A 38 0.445 29.366 -2.892 1.00 65.12 C ATOM 562 O ASN A 38 0.742 28.623 -3.826 1.00 33.34 O ATOM 563 CB ASN A 38 1.817 28.080 -1.241 1.00 74.54 C ATOM 564 CG ASN A 38 2.847 27.509 -2.196 1.00 31.23 C ATOM 565 OD1 ASN A 38 3.813 28.180 -2.560 1.00 32.13 O ATOM 566 ND2 ASN A 38 2.645 26.262 -2.606 1.00 70.32 N ATOM 0 H ASN A 38 -0.214 29.644 -0.266 1.00 22.03 H new ATOM 0 HA ASN A 38 2.209 30.082 -1.915 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.243 28.131 -0.239 1.00 74.54 H new ATOM 0 HB3 ASN A 38 0.961 27.407 -1.189 1.00 74.54 H new ATOM 0 HD21 ASN A 38 3.305 25.823 -3.248 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.830 25.743 -2.278 1.00 70.32 H new ATOM 573 N ASN A 39 -0.653 30.115 -2.884 1.00 74.22 N ATOM 574 CA ASN A 39 -1.593 30.105 -3.999 1.00 43.44 C ATOM 575 C ASN A 39 -2.162 28.706 -4.218 1.00 54.22 C ATOM 576 O ASN A 39 -2.673 28.394 -5.294 1.00 61.41 O ATOM 577 CB ASN A 39 -0.906 30.593 -5.277 1.00 4.25 C ATOM 578 CG ASN A 39 -1.858 31.331 -6.198 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.536 32.272 -5.784 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.911 30.907 -7.455 1.00 32.44 N ATOM 0 H ASN A 39 -0.914 30.736 -2.118 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.414 30.779 -3.755 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.077 31.250 -5.013 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.480 29.740 -5.806 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.532 31.365 -8.122 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -1.331 30.123 -7.754 1.00 32.44 H new ATOM 587 N TRP A 40 -2.072 27.870 -3.191 1.00 11.01 N ATOM 588 CA TRP A 40 -2.578 26.504 -3.270 1.00 32.51 C ATOM 589 C TRP A 40 -2.037 25.794 -4.506 1.00 23.40 C ATOM 590 O TRP A 40 -2.697 24.920 -5.070 1.00 14.41 O ATOM 591 CB TRP A 40 -4.107 26.507 -3.296 1.00 1.54 C ATOM 592 CG TRP A 40 -4.719 27.340 -2.210 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.910 28.693 -2.224 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.216 26.875 -0.950 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.496 29.097 -1.049 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.696 28.000 -0.252 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.305 25.619 -0.346 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.253 27.903 1.021 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.859 25.524 0.916 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.328 26.661 1.588 1.00 71.30 C ATOM 0 H TRP A 40 -1.653 28.113 -2.293 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.237 25.964 -2.386 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.446 26.878 -4.263 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.467 25.482 -3.204 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.640 29.348 -3.039 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.742 30.057 -0.809 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.947 24.737 -0.857 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.613 28.778 1.542 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.932 24.558 1.393 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.757 26.554 2.573 1.00 71.30 H new ATOM 611 N SER A 41 -0.834 26.174 -4.923 1.00 74.51 N ATOM 612 CA SER A 41 -0.207 25.575 -6.096 1.00 24.05 C ATOM 613 C SER A 41 0.327 24.183 -5.775 1.00 42.45 C ATOM 614 O SER A 41 -0.193 23.178 -6.262 1.00 72.12 O ATOM 615 CB SER A 41 0.930 26.465 -6.602 1.00 64.43 C ATOM 616 OG SER A 41 1.324 26.093 -7.911 1.00 75.12 O ATOM 0 H SER A 41 -0.274 26.894 -4.466 1.00 74.51 H new ATOM 0 HA SER A 41 -0.963 25.484 -6.876 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.610 27.507 -6.597 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.783 26.390 -5.927 1.00 64.43 H new ATOM 0 HG SER A 41 2.051 26.678 -8.212 1.00 75.12 H new ATOM 622 N THR A 42 1.367 24.129 -4.950 1.00 73.54 N ATOM 623 CA THR A 42 1.974 22.862 -4.563 1.00 45.04 C ATOM 624 C THR A 42 1.788 22.595 -3.074 1.00 34.20 C ATOM 625 O THR A 42 1.263 23.435 -2.342 1.00 34.44 O ATOM 626 CB THR A 42 3.477 22.834 -4.895 1.00 1.10 C ATOM 627 OG1 THR A 42 4.153 23.885 -4.196 1.00 15.30 O ATOM 628 CG2 THR A 42 3.705 22.984 -6.391 1.00 52.41 C ATOM 0 H THR A 42 1.808 24.950 -4.536 1.00 73.54 H new ATOM 0 HA THR A 42 1.470 22.083 -5.134 1.00 45.04 H new ATOM 0 HB THR A 42 3.878 21.871 -4.578 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.109 23.859 -4.411 1.00 15.30 H new ATOM 0 HG21 THR A 42 4.775 22.961 -6.600 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.215 22.165 -6.918 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.289 23.933 -6.729 1.00 52.41 H new ATOM 636 N LYS A 43 2.222 21.420 -2.629 1.00 53.21 N ATOM 637 CA LYS A 43 2.105 21.043 -1.226 1.00 62.12 C ATOM 638 C LYS A 43 3.476 21.001 -0.558 1.00 0.51 C ATOM 639 O LYS A 43 4.257 20.075 -0.781 1.00 42.43 O ATOM 640 CB LYS A 43 1.423 19.678 -1.099 1.00 42.01 C ATOM 641 CG LYS A 43 1.944 18.644 -2.081 1.00 13.53 C ATOM 642 CD LYS A 43 1.709 17.230 -1.577 1.00 24.00 C ATOM 643 CE LYS A 43 0.391 16.668 -2.086 1.00 21.13 C ATOM 644 NZ LYS A 43 0.372 16.558 -3.571 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.658 20.713 -3.221 1.00 53.21 H new ATOM 0 HA LYS A 43 1.497 21.795 -0.723 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.562 19.305 -0.084 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.351 19.802 -1.250 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.451 18.775 -3.044 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.010 18.801 -2.245 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.528 16.587 -1.899 1.00 24.00 H new ATOM 0 HD3 LYS A 43 1.710 17.226 -0.487 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.222 15.685 -1.647 1.00 21.13 H new ATOM 0 HE3 LYS A 43 -0.428 17.309 -1.759 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 -0.402 17.138 -3.952 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 1.278 16.894 -3.956 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 0.227 15.565 -3.844 1.00 63.23 H new ATOM 658 N ILE A 44 3.761 22.008 0.261 1.00 50.11 N ATOM 659 CA ILE A 44 5.037 22.084 0.962 1.00 75.21 C ATOM 660 C ILE A 44 5.172 20.957 1.981 1.00 20.24 C ATOM 661 O ILE A 44 4.269 20.694 2.777 1.00 14.21 O ATOM 662 CB ILE A 44 5.203 23.435 1.683 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.611 24.522 0.686 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.231 23.318 2.798 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.111 25.900 1.058 1.00 74.32 C ATOM 0 H ILE A 44 3.126 22.782 0.455 1.00 50.11 H new ATOM 0 HA ILE A 44 5.818 21.985 0.208 1.00 75.21 H new ATOM 0 HB ILE A 44 4.247 23.714 2.126 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.698 24.546 0.612 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.230 24.260 -0.301 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.337 24.281 3.298 1.00 1.53 H new ATOM 0 HG22 ILE A 44 5.902 22.569 3.519 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.191 23.020 2.378 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.437 26.620 0.308 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.022 25.892 1.104 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.513 26.183 2.031 1.00 74.32 H new ATOM 677 N PRO A 45 6.326 20.275 1.959 1.00 42.30 N ATOM 678 CA PRO A 45 6.609 19.167 2.876 1.00 74.53 C ATOM 679 C PRO A 45 6.801 19.638 4.313 1.00 40.33 C ATOM 680 O PRO A 45 7.529 20.598 4.570 1.00 40.12 O ATOM 681 CB PRO A 45 7.910 18.575 2.328 1.00 11.42 C ATOM 682 CG PRO A 45 8.563 19.702 1.605 1.00 55.22 C ATOM 683 CD PRO A 45 7.446 20.533 1.038 1.00 3.34 C ATOM 0 HA PRO A 45 5.786 18.454 2.919 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.544 18.200 3.132 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.713 17.737 1.660 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.184 20.291 2.280 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.215 19.332 0.813 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.707 21.591 1.009 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.203 20.237 0.017 1.00 3.34 H new ATOM 691 N LEU A 46 6.146 18.957 5.247 1.00 54.51 N ATOM 692 CA LEU A 46 6.246 19.307 6.659 1.00 11.22 C ATOM 693 C LEU A 46 7.470 18.656 7.297 1.00 63.13 C ATOM 694 O LEU A 46 7.500 17.444 7.511 1.00 34.03 O ATOM 695 CB LEU A 46 4.981 18.874 7.403 1.00 1.32 C ATOM 696 CG LEU A 46 4.238 19.975 8.159 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.520 20.900 7.188 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.253 19.371 9.150 1.00 1.43 C ATOM 0 H LEU A 46 5.540 18.160 5.052 1.00 54.51 H new ATOM 0 HA LEU A 46 6.352 20.389 6.732 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.295 18.428 6.683 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.251 18.092 8.113 1.00 1.32 H new ATOM 0 HG LEU A 46 4.968 20.563 8.715 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.997 21.677 7.745 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.247 21.360 6.519 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.801 20.326 6.603 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.733 20.170 9.679 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.528 18.758 8.615 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.792 18.752 9.867 1.00 1.43 H new ATOM 710 N ILE A 47 8.477 19.470 7.596 1.00 41.44 N ATOM 711 CA ILE A 47 9.702 18.974 8.211 1.00 1.41 C ATOM 712 C ILE A 47 9.397 18.138 9.449 1.00 65.02 C ATOM 713 O ILE A 47 8.874 18.644 10.441 1.00 61.11 O ATOM 714 CB ILE A 47 10.642 20.129 8.605 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.941 21.009 7.390 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.930 19.583 9.203 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.594 20.260 6.249 1.00 52.21 C ATOM 0 H ILE A 47 8.469 20.475 7.422 1.00 41.44 H new ATOM 0 HA ILE A 47 10.197 18.350 7.467 1.00 1.41 H new ATOM 0 HB ILE A 47 10.147 20.741 9.359 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.011 21.455 7.037 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.592 21.828 7.696 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.584 20.411 9.476 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.698 18.995 10.091 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.432 18.951 8.470 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.777 20.945 5.421 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.540 19.837 6.586 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.936 19.458 5.916 1.00 52.21 H new ATOM 729 N LYS A 48 9.726 16.852 9.383 1.00 55.44 N ATOM 730 CA LYS A 48 9.491 15.943 10.499 1.00 2.01 C ATOM 731 C LYS A 48 10.525 16.155 11.601 1.00 4.04 C ATOM 732 O LYS A 48 11.727 16.022 11.371 1.00 74.51 O ATOM 733 CB LYS A 48 9.533 14.491 10.018 1.00 32.12 C ATOM 734 CG LYS A 48 8.929 13.506 11.003 1.00 21.33 C ATOM 735 CD LYS A 48 8.931 12.091 10.451 1.00 65.24 C ATOM 736 CE LYS A 48 8.044 11.169 11.273 1.00 55.25 C ATOM 737 NZ LYS A 48 8.785 10.552 12.407 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.156 16.416 8.568 1.00 55.44 H new ATOM 0 HA LYS A 48 8.503 16.156 10.907 1.00 2.01 H new ATOM 0 HB2 LYS A 48 9.001 14.416 9.070 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.569 14.211 9.826 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.491 13.534 11.937 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.907 13.805 11.237 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.586 12.103 9.417 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.950 11.704 10.443 1.00 65.24 H new ATOM 0 HE2 LYS A 48 7.194 11.732 11.658 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.643 10.384 10.632 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 8.146 9.931 12.943 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 9.582 9.994 12.039 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.146 11.300 13.033 1.00 34.55 H new ATOM 751 N SER A 49 10.049 16.484 12.798 1.00 14.13 N ATOM 752 CA SER A 49 10.932 16.716 13.934 1.00 33.35 C ATOM 753 C SER A 49 11.079 15.452 14.774 1.00 3.20 C ATOM 754 O SER A 49 10.547 14.397 14.428 1.00 64.42 O ATOM 755 CB SER A 49 10.395 17.857 14.799 1.00 31.23 C ATOM 756 OG SER A 49 11.412 18.392 15.628 1.00 51.25 O ATOM 0 H SER A 49 9.057 16.596 13.006 1.00 14.13 H new ATOM 0 HA SER A 49 11.914 16.992 13.549 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.992 18.643 14.160 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.573 17.494 15.416 1.00 31.23 H new ATOM 0 HG SER A 49 11.043 19.121 16.169 1.00 51.25 H new ATOM 762 N HIS A 50 11.806 15.566 15.882 1.00 0.54 N ATOM 763 CA HIS A 50 12.024 14.432 16.773 1.00 22.21 C ATOM 764 C HIS A 50 10.759 14.111 17.564 1.00 65.22 C ATOM 765 O HIS A 50 10.563 12.980 18.006 1.00 14.41 O ATOM 766 CB HIS A 50 13.178 14.726 17.732 1.00 63.12 C ATOM 767 CG HIS A 50 14.468 15.040 17.040 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.394 14.078 16.699 1.00 33.13 N ATOM 769 CD2 HIS A 50 14.984 16.220 16.622 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.424 14.651 16.103 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.199 15.951 16.042 1.00 44.14 N ATOM 0 H HIS A 50 12.253 16.432 16.184 1.00 0.54 H new ATOM 0 HA HIS A 50 12.279 13.565 16.163 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.904 15.566 18.370 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.326 13.865 18.384 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.525 17.192 16.726 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.301 14.143 15.729 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.826 16.643 15.631 1.00 44.14 H new ATOM 779 N ASN A 51 9.905 15.114 17.736 1.00 43.20 N ATOM 780 CA ASN A 51 8.660 14.939 18.474 1.00 41.32 C ATOM 781 C ASN A 51 7.482 14.758 17.521 1.00 42.34 C ATOM 782 O ASN A 51 6.739 13.781 17.614 1.00 61.52 O ATOM 783 CB ASN A 51 8.409 16.142 19.388 1.00 24.42 C ATOM 784 CG ASN A 51 7.044 16.094 20.046 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.493 15.018 20.280 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.492 17.262 20.347 1.00 63.41 N ATOM 0 H ASN A 51 10.052 16.056 17.374 1.00 43.20 H new ATOM 0 HA ASN A 51 8.753 14.040 19.084 1.00 41.32 H new ATOM 0 HB2 ASN A 51 9.179 16.176 20.158 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.497 17.060 18.808 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.574 17.293 20.791 1.00 63.41 H new ATOM 0 HD22 ASN A 51 6.985 18.129 20.135 1.00 63.41 H new ATOM 793 N ASP A 52 7.321 15.705 16.604 1.00 25.42 N ATOM 794 CA ASP A 52 6.236 15.650 15.630 1.00 63.14 C ATOM 795 C ASP A 52 6.603 16.415 14.363 1.00 70.31 C ATOM 796 O ASP A 52 7.730 16.887 14.215 1.00 74.35 O ATOM 797 CB ASP A 52 4.952 16.222 16.234 1.00 51.42 C ATOM 798 CG ASP A 52 4.572 15.547 17.537 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.197 14.355 17.500 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.650 16.208 18.592 1.00 71.33 O1- ATOM 0 H ASP A 52 7.928 16.520 16.514 1.00 25.42 H new ATOM 0 HA ASP A 52 6.070 14.606 15.365 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.080 17.291 16.406 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.137 16.110 15.519 1.00 51.42 H new ATOM 805 N PHE A 53 5.643 16.534 13.451 1.00 51.12 N ATOM 806 CA PHE A 53 5.866 17.240 12.195 1.00 12.33 C ATOM 807 C PHE A 53 5.737 18.748 12.388 1.00 22.10 C ATOM 808 O PHE A 53 4.895 19.218 13.153 1.00 32.20 O ATOM 809 CB PHE A 53 4.871 16.764 11.134 1.00 64.40 C ATOM 810 CG PHE A 53 5.133 15.366 10.652 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.018 15.132 9.611 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.493 14.286 11.237 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.261 13.847 9.165 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.733 12.998 10.794 1.00 14.33 C ATOM 815 CZ PHE A 53 5.617 12.779 9.757 1.00 53.35 C ATOM 0 H PHE A 53 4.704 16.151 13.559 1.00 51.12 H new ATOM 0 HA PHE A 53 6.879 17.020 11.859 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.862 16.816 11.544 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.905 17.445 10.284 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.523 15.964 9.143 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.799 14.451 12.048 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.954 13.678 8.354 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.229 12.164 11.259 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.805 11.774 9.409 1.00 53.35 H new ATOM 825 N VAL A 54 6.580 19.503 11.690 1.00 33.42 N ATOM 826 CA VAL A 54 6.562 20.957 11.784 1.00 40.41 C ATOM 827 C VAL A 54 7.012 21.598 10.476 1.00 3.45 C ATOM 828 O VAL A 54 7.849 21.049 9.759 1.00 74.24 O ATOM 829 CB VAL A 54 7.465 21.458 12.926 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.899 21.044 14.276 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.883 20.935 12.751 1.00 4.44 C ATOM 0 H VAL A 54 7.284 19.131 11.053 1.00 33.42 H new ATOM 0 HA VAL A 54 5.532 21.247 11.992 1.00 40.41 H new ATOM 0 HB VAL A 54 7.496 22.547 12.891 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.551 21.407 15.071 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.904 21.471 14.400 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.836 19.957 14.326 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.508 21.299 13.567 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.872 19.845 12.760 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.286 21.286 11.801 1.00 4.44 H new ATOM 841 N ALA A 55 6.453 22.763 10.170 1.00 33.42 N ATOM 842 CA ALA A 55 6.799 23.481 8.950 1.00 64.34 C ATOM 843 C ALA A 55 6.809 24.988 9.183 1.00 43.12 C ATOM 844 O ALA A 55 5.842 25.554 9.691 1.00 20.33 O ATOM 845 CB ALA A 55 5.827 23.125 7.835 1.00 75.11 C ATOM 0 H ALA A 55 5.757 23.231 10.751 1.00 33.42 H new ATOM 0 HA ALA A 55 7.803 23.179 8.653 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.097 23.668 6.930 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.872 22.053 7.642 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.815 23.398 8.134 1.00 75.11 H new ATOM 851 N ILE A 56 7.910 25.632 8.808 1.00 4.32 N ATOM 852 CA ILE A 56 8.047 27.073 8.978 1.00 62.15 C ATOM 853 C ILE A 56 7.764 27.808 7.672 1.00 1.24 C ATOM 854 O ILE A 56 8.609 27.852 6.776 1.00 41.11 O ATOM 855 CB ILE A 56 9.454 27.452 9.473 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.796 26.676 10.747 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.545 28.950 9.718 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.613 25.428 10.495 1.00 22.53 C ATOM 0 H ILE A 56 8.720 25.178 8.385 1.00 4.32 H new ATOM 0 HA ILE A 56 7.316 27.373 9.728 1.00 62.15 H new ATOM 0 HB ILE A 56 10.178 27.186 8.702 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.346 27.330 11.424 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.871 26.399 11.253 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.546 29.201 10.068 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.340 29.484 8.790 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.814 29.240 10.472 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.818 24.930 11.443 1.00 22.53 H new ATOM 0 HD12 ILE A 56 10.057 24.754 9.843 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.554 25.700 10.017 1.00 22.53 H new ATOM 870 N LEU A 57 6.572 28.387 7.570 1.00 53.34 N ATOM 871 CA LEU A 57 6.178 29.124 6.374 1.00 41.32 C ATOM 872 C LEU A 57 6.730 30.546 6.404 1.00 4.44 C ATOM 873 O LEU A 57 7.321 30.972 7.396 1.00 25.01 O ATOM 874 CB LEU A 57 4.655 29.158 6.251 1.00 22.14 C ATOM 875 CG LEU A 57 3.961 27.800 6.128 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.476 27.930 6.432 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.173 27.216 4.739 1.00 54.43 C ATOM 0 H LEU A 57 5.862 28.360 8.301 1.00 53.34 H new ATOM 0 HA LEU A 57 6.595 28.611 5.507 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.251 29.672 7.123 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.394 29.757 5.379 1.00 22.14 H new ATOM 0 HG LEU A 57 4.403 27.121 6.857 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.999 26.954 6.340 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.344 28.304 7.447 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.020 28.625 5.727 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.672 26.250 4.670 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.759 27.894 3.992 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.240 27.085 4.558 1.00 54.43 H new ATOM 889 N ASP A 58 6.531 31.274 5.311 1.00 22.22 N ATOM 890 CA ASP A 58 7.006 32.650 5.213 1.00 23.10 C ATOM 891 C ASP A 58 5.860 33.596 4.865 1.00 53.11 C ATOM 892 O ASP A 58 5.493 33.741 3.698 1.00 71.11 O ATOM 893 CB ASP A 58 8.110 32.757 4.160 1.00 60.34 C ATOM 894 CG ASP A 58 7.704 32.151 2.831 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.677 30.906 2.730 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.414 32.921 1.891 1.00 31.41 O ATOM 0 H ASP A 58 6.045 30.935 4.481 1.00 22.22 H new ATOM 0 HA ASP A 58 7.411 32.939 6.183 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.368 33.806 4.014 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.006 32.256 4.526 1.00 60.34 H new ATOM 901 N LEU A 59 5.298 34.235 5.884 1.00 12.41 N ATOM 902 CA LEU A 59 4.193 35.167 5.686 1.00 61.11 C ATOM 903 C LEU A 59 4.541 36.548 6.232 1.00 53.10 C ATOM 904 O LEU A 59 5.370 36.698 7.130 1.00 43.12 O ATOM 905 CB LEU A 59 2.929 34.641 6.369 1.00 61.24 C ATOM 906 CG LEU A 59 2.761 33.122 6.393 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.540 32.732 7.210 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.654 32.574 4.977 1.00 1.12 C ATOM 0 H LEU A 59 5.589 34.125 6.856 1.00 12.41 H new ATOM 0 HA LEU A 59 4.011 35.255 4.615 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.918 35.004 7.397 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.063 35.074 5.869 1.00 61.24 H new ATOM 0 HG LEU A 59 3.642 32.687 6.864 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.437 31.647 7.215 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.657 33.090 8.233 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.649 33.179 6.769 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.535 31.491 5.014 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.791 33.017 4.480 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.559 32.821 4.422 1.00 1.12 H new ATOM 920 N PRO A 60 3.893 37.584 5.678 1.00 72.34 N ATOM 921 CA PRO A 60 4.117 38.972 6.095 1.00 43.15 C ATOM 922 C PRO A 60 3.573 39.252 7.491 1.00 50.24 C ATOM 923 O PRO A 60 4.299 39.158 8.480 1.00 44.12 O ATOM 924 CB PRO A 60 3.349 39.784 5.049 1.00 2.43 C ATOM 925 CG PRO A 60 2.294 38.858 4.550 1.00 40.55 C ATOM 926 CD PRO A 60 2.893 37.480 4.602 1.00 50.31 C ATOM 0 HA PRO A 60 5.178 39.216 6.149 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.913 40.682 5.487 1.00 2.43 H new ATOM 0 HB3 PRO A 60 4.004 40.109 4.241 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.398 38.918 5.168 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.997 39.116 3.533 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.141 36.723 4.824 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.352 37.205 3.652 1.00 50.31 H new ATOM 934 N GLU A 61 2.291 39.596 7.564 1.00 62.44 N ATOM 935 CA GLU A 61 1.650 39.890 8.840 1.00 50.50 C ATOM 936 C GLU A 61 0.170 40.209 8.647 1.00 12.05 C ATOM 937 O GLU A 61 -0.184 41.237 8.073 1.00 32.42 O ATOM 938 CB GLU A 61 2.350 41.064 9.529 1.00 73.34 C ATOM 939 CG GLU A 61 1.616 41.574 10.758 1.00 52.41 C ATOM 940 CD GLU A 61 0.551 42.598 10.418 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.907 43.668 9.880 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.638 42.330 10.691 1.00 35.02 O1- ATOM 0 H GLU A 61 1.676 39.678 6.754 1.00 62.44 H new ATOM 0 HA GLU A 61 1.733 39.005 9.471 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.355 40.758 9.818 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.458 41.881 8.816 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.154 40.733 11.276 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.334 42.018 11.448 1.00 52.41 H new ATOM 949 N GLY A 62 -0.689 39.317 9.130 1.00 54.52 N ATOM 950 CA GLY A 62 -2.120 39.519 9.000 1.00 52.00 C ATOM 951 C GLY A 62 -2.904 38.229 9.132 1.00 61.55 C ATOM 952 O GLY A 62 -2.861 37.573 10.173 1.00 51.12 O ATOM 0 H GLY A 62 -0.419 38.458 9.609 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.455 40.223 9.762 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.333 39.972 8.032 1.00 52.00 H new ATOM 956 N GLU A 63 -3.621 37.862 8.074 1.00 53.44 N ATOM 957 CA GLU A 63 -4.419 36.641 8.079 1.00 52.42 C ATOM 958 C GLU A 63 -4.190 35.838 6.801 1.00 71.45 C ATOM 959 O GLU A 63 -4.231 36.411 5.713 1.00 35.41 O ATOM 960 CB GLU A 63 -5.904 36.978 8.223 1.00 13.45 C ATOM 961 CG GLU A 63 -6.828 35.831 7.846 1.00 1.11 C ATOM 962 CD GLU A 63 -8.214 35.978 8.442 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.341 36.640 9.493 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.171 35.432 7.855 1.00 35.44 O ATOM 0 H GLU A 63 -3.666 38.392 7.204 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.107 36.035 8.930 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.103 37.270 9.254 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.135 37.840 7.597 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.908 35.775 6.760 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.390 34.891 8.182 1.00 1.11 H new ATOM 971 N HIS A 64 -3.955 34.544 6.960 1.00 3.13 N ATOM 972 CA HIS A 64 -3.722 33.679 5.815 1.00 20.42 C ATOM 973 C HIS A 64 -4.363 32.312 6.066 1.00 42.53 C ATOM 974 O HIS A 64 -4.405 31.809 7.188 1.00 73.42 O ATOM 975 CB HIS A 64 -2.229 33.586 5.500 1.00 3.20 C ATOM 976 CG HIS A 64 -1.482 34.887 5.674 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.079 35.669 4.605 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.069 35.534 6.802 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.453 36.736 5.080 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.448 36.650 6.442 1.00 51.03 N ATOM 0 H HIS A 64 -3.921 34.073 7.864 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.194 34.105 4.930 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.779 32.831 6.145 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.106 33.243 4.473 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.222 35.195 7.816 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.022 37.533 4.493 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.035 37.332 7.079 1.00 51.03 H new ATOM 988 N GLN A 65 -4.863 31.721 4.986 1.00 53.30 N ATOM 989 CA GLN A 65 -5.506 30.414 5.061 1.00 30.02 C ATOM 990 C GLN A 65 -4.504 29.298 4.789 1.00 12.33 C ATOM 991 O GLN A 65 -3.456 29.525 4.184 1.00 60.12 O ATOM 992 CB GLN A 65 -6.662 30.334 4.062 1.00 12.55 C ATOM 993 CG GLN A 65 -7.954 30.949 4.574 1.00 10.33 C ATOM 994 CD GLN A 65 -9.032 29.915 4.829 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.189 30.102 4.452 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.658 28.814 5.471 1.00 52.31 N ATOM 0 H GLN A 65 -4.836 32.125 4.050 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.898 30.286 6.070 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.370 30.838 3.141 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.842 29.289 3.811 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.752 31.493 5.497 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.318 31.676 3.848 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -7.688 28.700 5.766 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.341 28.083 5.669 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.833 28.091 5.240 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.960 26.939 5.047 1.00 44.05 C ATOM 1007 C TYR A 66 -4.703 25.639 5.332 1.00 74.13 C ATOM 1008 O TYR A 66 -5.810 25.648 5.872 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.731 27.047 5.951 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.009 26.689 7.395 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.796 27.507 8.195 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.485 25.531 7.956 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.051 27.185 9.514 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.736 25.200 9.274 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.520 26.030 10.049 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.774 25.704 11.361 1.00 4.23 O ATOM 0 H TYR A 66 -5.697 27.886 5.741 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.637 26.930 4.006 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.949 26.392 5.567 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.345 28.065 5.905 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.216 28.411 7.779 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.871 24.879 7.352 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.663 27.834 10.123 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.321 24.296 9.695 1.00 54.24 H new ATOM 0 HH TYR A 66 -4.296 24.875 11.397 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.088 24.520 4.967 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.687 23.209 5.185 1.00 53.24 C ATOM 1028 C LYS A 67 -3.613 22.147 5.396 1.00 15.33 C ATOM 1029 O LYS A 67 -2.438 22.374 5.109 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.571 22.826 3.994 1.00 51.31 C ATOM 1031 CG LYS A 67 -7.059 22.932 4.283 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.556 21.742 5.087 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.837 20.544 4.192 1.00 21.22 C ATOM 1034 NZ LYS A 67 -7.122 19.324 4.659 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.173 24.495 4.518 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.301 23.263 6.084 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -5.327 23.470 3.149 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.339 21.804 3.694 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.260 23.852 4.831 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.610 22.994 3.344 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.812 21.471 5.836 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.464 22.018 5.624 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -8.909 20.351 4.170 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -7.534 20.774 3.171 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -7.664 18.479 4.388 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -6.179 19.286 4.222 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -7.023 19.354 5.694 1.00 73.50 H new ATOM 1048 N PHE A 68 -4.025 20.988 5.898 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.097 19.890 6.146 1.00 43.24 C ATOM 1050 C PHE A 68 -3.317 18.755 5.151 1.00 51.11 C ATOM 1051 O PHE A 68 -4.437 18.523 4.695 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.262 19.369 7.576 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.564 20.211 8.605 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.184 20.338 8.595 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.287 20.875 9.583 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.539 21.111 9.541 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.647 21.650 10.532 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.271 21.768 10.511 1.00 11.45 C ATOM 0 H PHE A 68 -4.994 20.784 6.141 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.083 20.269 6.018 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.324 19.322 7.817 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.877 18.351 7.630 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.606 19.827 7.839 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.363 20.786 9.604 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.537 21.202 9.522 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.222 22.163 11.289 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.768 22.373 11.251 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.240 18.051 4.817 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.314 16.942 3.874 1.00 72.31 C ATOM 1070 C PHE A 69 -1.491 15.754 4.366 1.00 34.23 C ATOM 1071 O PHE A 69 -0.261 15.773 4.314 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.819 17.383 2.495 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.460 16.634 1.361 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.839 16.570 1.247 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.682 15.993 0.410 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.431 15.882 0.204 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.268 15.305 -0.635 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.644 15.247 -0.737 1.00 73.11 C ATOM 0 H PHE A 69 -1.306 18.229 5.186 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.356 16.633 3.796 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -2.013 18.449 2.372 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.739 17.247 2.445 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.459 17.063 1.981 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.605 16.032 0.487 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.507 15.841 0.125 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.650 14.813 -1.372 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.104 14.706 -1.551 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.180 14.723 4.844 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.514 13.526 5.345 1.00 12.31 C ATOM 1090 C VAL A 70 -1.998 12.281 4.611 1.00 74.44 C ATOM 1091 O VAL A 70 -3.195 12.105 4.388 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.751 13.344 6.856 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -0.912 12.193 7.393 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.443 14.633 7.603 1.00 33.01 C ATOM 0 H VAL A 70 -3.198 14.692 4.895 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.447 13.657 5.166 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.802 13.102 7.015 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.092 12.079 8.462 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.186 11.272 6.879 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.144 12.403 7.224 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.616 14.486 8.669 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.401 14.909 7.439 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.091 15.429 7.237 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.059 11.417 4.240 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.389 10.186 3.533 1.00 43.14 C ATOM 1106 C ASP A 71 -2.260 10.475 2.315 1.00 50.35 C ATOM 1107 O ASP A 71 -3.239 9.775 2.057 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.108 9.212 4.468 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.426 9.097 5.818 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.215 9.391 5.899 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -2.104 8.714 6.794 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.063 11.547 4.418 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.458 9.732 3.193 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.137 9.542 4.611 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.151 8.228 4.000 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.898 11.514 1.567 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.658 11.879 0.386 1.00 61.42 C ATOM 1118 C GLY A 72 -4.122 12.125 0.691 1.00 44.45 C ATOM 1119 O GLY A 72 -4.972 12.019 -0.191 1.00 1.33 O ATOM 0 H GLY A 72 -1.092 12.109 1.758 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.227 12.777 -0.057 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.573 11.085 -0.356 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.416 12.453 1.946 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.789 12.711 2.364 1.00 43.53 C ATOM 1125 C GLN A 73 -5.926 14.114 2.947 1.00 15.15 C ATOM 1126 O GLN A 73 -4.930 14.766 3.259 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.234 11.673 3.396 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.907 10.455 2.782 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.888 9.792 3.729 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.062 9.617 3.402 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -7.411 9.417 4.910 1.00 65.41 N ATOM 0 H GLN A 73 -3.723 12.546 2.689 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.429 12.638 1.485 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.366 11.348 3.970 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -6.922 12.143 4.098 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.430 10.753 1.873 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.145 9.732 2.489 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -6.431 9.581 5.140 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.025 8.964 5.587 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.164 14.572 3.089 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.430 15.899 3.633 1.00 50.15 C ATOM 1142 C TRP A 74 -7.844 15.813 5.099 1.00 34.22 C ATOM 1143 O TRP A 74 -8.754 15.062 5.454 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.523 16.595 2.822 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.217 16.674 1.356 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.570 15.770 0.396 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.492 17.712 0.687 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.109 16.184 -0.830 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.445 17.372 -0.679 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.880 18.896 1.109 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.810 18.174 -1.623 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.250 19.691 0.170 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.219 19.328 -1.183 1.00 51.10 C ATOM 0 H TRP A 74 -7.999 14.045 2.835 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.512 16.482 3.567 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.464 16.062 2.961 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.667 17.603 3.210 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.129 14.863 0.574 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.240 15.687 -1.711 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.899 19.184 2.150 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.784 17.896 -2.666 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.773 20.608 0.485 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.719 19.971 -1.892 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.172 16.586 5.946 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.471 16.598 7.373 1.00 44.01 C ATOM 1166 C VAL A 75 -7.376 18.009 7.942 1.00 31.52 C ATOM 1167 O VAL A 75 -6.663 18.859 7.407 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.518 15.675 8.153 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.728 14.223 7.747 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.073 16.094 7.935 1.00 31.10 C ATOM 0 H VAL A 75 -6.416 17.212 5.668 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.492 16.232 7.487 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.742 15.766 9.216 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.045 13.586 8.309 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.756 13.931 7.960 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.533 14.112 6.680 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.413 15.430 8.494 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.833 16.034 6.873 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.935 17.118 8.281 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.097 18.252 9.032 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.092 19.560 9.676 1.00 74.30 C ATOM 1182 C HIS A 76 -7.438 19.485 11.053 1.00 62.21 C ATOM 1183 O HIS A 76 -7.178 18.399 11.568 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.519 20.093 9.805 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.299 19.455 10.912 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.968 18.257 10.769 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.516 19.854 12.188 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.561 17.948 11.907 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.302 18.900 12.785 1.00 32.15 N ATOM 0 H HIS A 76 -8.692 17.560 9.488 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.512 20.242 9.054 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.482 21.170 9.971 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -10.044 19.934 8.863 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.140 20.755 12.650 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.157 17.066 12.089 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.632 18.923 13.750 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.176 20.647 11.641 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.552 20.713 12.958 1.00 33.21 C ATOM 1199 C ASP A 77 -7.592 20.989 14.039 1.00 70.34 C ATOM 1200 O ASP A 77 -8.202 22.057 14.091 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.475 21.800 12.981 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.875 23.029 12.189 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.867 23.683 12.572 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -5.195 23.337 11.187 1.00 41.33 O ATOM 0 H ASP A 77 -7.386 21.555 11.227 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.089 19.748 13.162 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.274 22.086 14.013 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.547 21.396 12.576 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.803 20.002 14.922 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.771 20.115 16.017 1.00 45.12 C ATOM 1211 C PRO A 78 -8.326 21.108 17.086 1.00 52.21 C ATOM 1212 O PRO A 78 -9.153 21.738 17.743 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.820 18.696 16.594 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.501 18.099 16.243 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.112 18.701 14.920 1.00 33.02 C ATOM 0 HA PRO A 78 -9.736 20.484 15.671 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.973 18.712 17.673 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.641 18.122 16.165 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.756 18.322 17.007 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.570 17.014 16.172 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.032 18.820 14.834 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.431 18.077 14.085 1.00 33.02 H new ATOM 1223 N SER A 79 -7.014 21.243 17.252 1.00 35.34 N ATOM 1224 CA SER A 79 -6.459 22.158 18.241 1.00 5.14 C ATOM 1225 C SER A 79 -6.449 23.590 17.713 1.00 2.34 C ATOM 1226 O SER A 79 -6.518 24.547 18.483 1.00 53.41 O ATOM 1227 CB SER A 79 -5.039 21.733 18.622 1.00 42.01 C ATOM 1228 OG SER A 79 -5.051 20.852 19.731 1.00 3.14 O ATOM 0 H SER A 79 -6.316 20.730 16.714 1.00 35.34 H new ATOM 0 HA SER A 79 -7.092 22.121 19.128 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.561 21.246 17.772 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.444 22.614 18.860 1.00 42.01 H new ATOM 0 HG SER A 79 -4.132 20.594 19.954 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.362 23.726 16.394 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.341 25.039 15.761 1.00 31.11 C ATOM 1236 C GLU A 80 -7.716 25.397 15.204 1.00 4.43 C ATOM 1237 O GLU A 80 -8.572 24.537 14.999 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.300 25.076 14.641 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.980 25.703 15.056 1.00 61.25 C ATOM 1240 CD GLU A 80 -2.895 25.526 14.012 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -2.690 24.380 13.558 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.251 26.533 13.649 1.00 23.05 O ATOM 0 H GLU A 80 -6.305 22.943 15.743 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.072 25.774 16.520 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.116 24.059 14.294 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.707 25.632 13.797 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.130 26.767 15.242 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.651 25.259 15.995 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.933 26.697 14.955 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.202 27.199 14.418 1.00 12.23 C ATOM 1251 C PRO A 81 -9.424 26.781 12.968 1.00 54.22 C ATOM 1252 O PRO A 81 -8.536 26.927 12.127 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.055 28.718 14.521 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.584 28.960 14.491 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.956 27.777 15.176 1.00 34.31 C ATOM 0 HA PRO A 81 -10.060 26.803 14.962 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.556 29.221 13.694 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.500 29.097 15.441 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.225 29.054 13.466 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.331 29.888 15.004 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.984 27.534 14.747 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.798 27.965 16.238 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.613 26.263 12.681 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.952 25.826 11.332 1.00 44.45 C ATOM 1265 C VAL A 82 -12.057 26.691 10.735 1.00 64.55 C ATOM 1266 O VAL A 82 -12.898 27.228 11.457 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.402 24.353 11.315 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.292 23.449 11.825 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.668 24.175 12.140 1.00 72.14 C ATOM 0 H VAL A 82 -11.359 26.135 13.365 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.049 25.929 10.730 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.623 24.070 10.286 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.629 22.413 11.805 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.414 23.557 11.189 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.036 23.728 12.847 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.973 23.129 12.118 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.476 24.475 13.170 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.463 24.793 11.724 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.049 26.822 9.412 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.052 27.622 8.718 1.00 1.01 C ATOM 1281 C VAL A 83 -13.901 26.755 7.795 1.00 10.44 C ATOM 1282 O VAL A 83 -13.645 25.561 7.635 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.400 28.746 7.891 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.465 29.574 8.760 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.656 28.166 6.698 1.00 11.55 C ATOM 0 H VAL A 83 -11.360 26.385 8.800 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.688 28.067 9.483 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.187 29.401 7.517 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.013 30.363 8.159 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.029 30.020 9.579 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.682 28.933 9.165 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.202 28.974 6.125 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.878 27.488 7.049 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.355 27.620 6.064 1.00 11.55 H new ATOM 1295 N THR A 84 -14.915 27.364 7.188 1.00 44.21 N ATOM 1296 CA THR A 84 -15.804 26.650 6.280 1.00 74.32 C ATOM 1297 C THR A 84 -15.890 27.349 4.930 1.00 53.33 C ATOM 1298 O THR A 84 -16.361 28.484 4.836 1.00 51.12 O ATOM 1299 CB THR A 84 -17.221 26.519 6.869 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.159 26.514 8.300 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.896 25.245 6.381 1.00 25.03 C ATOM 0 H THR A 84 -15.141 28.351 7.309 1.00 44.21 H new ATOM 0 HA THR A 84 -15.382 25.655 6.143 1.00 74.32 H new ATOM 0 HB THR A 84 -17.809 27.373 6.534 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.064 26.432 8.666 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.895 25.175 6.811 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.969 25.266 5.294 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.308 24.381 6.689 1.00 25.03 H new ATOM 1309 N SER A 85 -15.433 26.667 3.884 1.00 12.31 N ATOM 1310 CA SER A 85 -15.455 27.226 2.537 1.00 62.15 C ATOM 1311 C SER A 85 -16.858 27.154 1.943 1.00 62.25 C ATOM 1312 O SER A 85 -17.749 26.516 2.503 1.00 25.40 O ATOM 1313 CB SER A 85 -14.469 26.480 1.636 1.00 73.20 C ATOM 1314 OG SER A 85 -13.142 26.924 1.855 1.00 45.01 O ATOM 0 H SER A 85 -15.043 25.726 3.944 1.00 12.31 H new ATOM 0 HA SER A 85 -15.158 28.273 2.600 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.534 25.409 1.829 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.739 26.633 0.591 1.00 73.20 H new ATOM 0 HG SER A 85 -12.531 26.431 1.269 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.047 27.814 0.805 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.341 27.826 0.134 1.00 2.41 C ATOM 1322 C GLN A 86 -18.713 26.431 -0.356 1.00 50.10 C ATOM 1323 O GLN A 86 -19.890 26.123 -0.549 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.321 28.804 -1.042 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.984 30.231 -0.640 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.171 30.966 -0.047 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -19.271 31.125 1.170 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -20.077 31.417 -0.905 1.00 50.44 N ATOM 0 H GLN A 86 -16.320 28.348 0.328 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.092 28.151 0.854 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.593 28.461 -1.777 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.296 28.793 -1.530 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.170 30.218 0.085 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.624 30.775 -1.513 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -19.953 31.262 -1.906 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.897 31.918 -0.564 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.704 25.591 -0.556 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.925 24.227 -1.026 1.00 32.15 C ATOM 1339 C LEU A 87 -18.400 23.331 0.113 1.00 71.20 C ATOM 1340 O LEU A 87 -18.931 22.245 -0.119 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.640 23.661 -1.634 1.00 52.11 C ATOM 1342 CG LEU A 87 -15.802 24.638 -2.459 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -14.495 23.989 -2.887 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.584 25.118 -3.674 1.00 21.21 C ATOM 0 H LEU A 87 -16.725 25.830 -0.400 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.700 24.253 -1.792 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.019 23.273 -0.826 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.904 22.814 -2.268 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.569 25.502 -1.837 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -13.911 24.699 -3.473 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -13.928 23.695 -2.004 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.707 23.107 -3.491 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -15.972 25.813 -4.249 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -16.847 24.264 -4.298 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.493 25.622 -3.346 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.208 23.794 1.345 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.624 23.021 2.501 1.00 24.33 C ATOM 1358 C GLY A 88 -17.501 22.176 3.067 1.00 1.42 C ATOM 1359 O GLY A 88 -17.743 21.247 3.842 1.00 3.52 O ATOM 0 H GLY A 88 -17.772 24.690 1.563 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.991 23.697 3.273 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.456 22.374 2.222 1.00 24.33 H new ATOM 1363 N THR A 89 -16.270 22.493 2.682 1.00 71.55 N ATOM 1364 CA THR A 89 -15.106 21.753 3.154 1.00 55.20 C ATOM 1365 C THR A 89 -14.408 22.494 4.289 1.00 10.24 C ATOM 1366 O THR A 89 -14.136 23.691 4.188 1.00 41.43 O ATOM 1367 CB THR A 89 -14.096 21.509 2.017 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.423 22.730 1.690 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.794 20.963 0.781 1.00 71.24 C ATOM 0 H THR A 89 -16.052 23.258 2.044 1.00 71.55 H new ATOM 0 HA THR A 89 -15.469 20.792 3.519 1.00 55.20 H new ATOM 0 HB THR A 89 -13.368 20.773 2.359 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.549 23.377 2.415 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.060 20.799 -0.008 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.282 20.019 1.026 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.541 21.679 0.439 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.119 21.776 5.369 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.450 22.365 6.522 1.00 62.33 C ATOM 1379 C ILE A 90 -12.007 22.730 6.193 1.00 55.32 C ATOM 1380 O ILE A 90 -11.273 21.936 5.607 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.464 21.409 7.730 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.902 21.032 8.093 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.763 22.050 8.919 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.737 22.206 8.554 1.00 10.43 C ATOM 0 H ILE A 90 -14.338 20.785 5.469 1.00 15.44 H new ATOM 0 HA ILE A 90 -14.001 23.270 6.779 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.927 20.499 7.462 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.379 20.576 7.226 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.884 20.278 8.880 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.781 21.363 9.765 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.730 22.274 8.655 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.276 22.973 9.190 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.744 21.864 8.794 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.283 22.650 9.440 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.786 22.951 7.760 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.605 23.937 6.578 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.248 24.408 6.324 1.00 52.40 C ATOM 1398 C ASN A 91 -9.609 24.937 7.604 1.00 14.34 C ATOM 1399 O ASN A 91 -10.216 24.903 8.674 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.257 25.502 5.255 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.080 24.944 3.856 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.007 23.730 3.664 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.012 25.831 2.870 1.00 51.12 N ATOM 0 H ASN A 91 -12.199 24.607 7.067 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.658 23.565 5.965 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.197 26.051 5.308 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.460 26.216 5.462 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.895 25.515 1.907 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.077 26.828 3.075 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.378 25.426 7.486 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.656 25.963 8.634 1.00 25.44 C ATOM 1412 C ASN A 92 -7.263 27.418 8.397 1.00 42.41 C ATOM 1413 O ASN A 92 -6.845 27.788 7.299 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.407 25.125 8.914 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.680 23.635 8.835 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.903 22.880 8.252 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.792 23.205 9.421 1.00 64.12 N ATOM 0 H ASN A 92 -7.860 25.461 6.608 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.316 25.920 9.500 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.629 25.387 8.197 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.024 25.369 9.905 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -8.030 22.213 9.398 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.408 23.866 9.894 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.398 28.238 9.434 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.057 29.653 9.340 1.00 13.40 C ATOM 1426 C LEU A 93 -5.897 29.996 10.270 1.00 33.45 C ATOM 1427 O LEU A 93 -5.918 29.657 11.453 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.273 30.515 9.682 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.010 32.013 9.840 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.491 32.604 8.539 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.274 32.732 10.288 1.00 44.50 C ATOM 0 H LEU A 93 -7.741 27.947 10.349 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.750 29.860 8.315 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.022 30.378 8.902 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.708 30.143 10.610 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.247 32.150 10.607 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.310 33.671 8.671 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.561 32.109 8.260 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.230 32.456 7.752 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.068 33.797 10.395 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.058 32.587 9.545 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.603 32.328 11.245 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.890 30.672 9.727 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.724 31.064 10.510 1.00 23.02 C ATOM 1445 C ILE A 94 -3.449 32.557 10.375 1.00 33.42 C ATOM 1446 O ILE A 94 -3.470 33.107 9.274 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.470 30.281 10.079 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.255 30.738 10.890 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.217 30.462 8.590 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.310 29.613 11.250 1.00 55.11 C ATOM 0 H ILE A 94 -4.858 30.960 8.749 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.948 30.831 11.551 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.637 29.221 10.273 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.710 31.491 10.320 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.600 31.219 11.805 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.327 29.902 8.301 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.075 30.094 8.028 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.067 31.519 8.372 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.527 30.011 11.824 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.839 28.870 11.847 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.064 29.146 10.339 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.190 33.209 11.504 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.908 34.640 11.513 1.00 3.12 C ATOM 1464 C HIS A 95 -1.448 34.904 11.867 1.00 23.15 C ATOM 1465 O HIS A 95 -0.853 34.186 12.671 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.823 35.356 12.507 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.281 35.172 12.219 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.256 35.257 13.190 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.927 34.909 11.060 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.440 35.052 12.639 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.268 34.839 11.348 1.00 25.13 N ATOM 0 H HIS A 95 -3.170 32.769 12.424 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.097 35.028 10.512 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.611 34.991 13.512 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.591 36.421 12.499 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.090 35.448 14.178 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.473 34.778 10.089 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.387 35.058 13.157 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.874 35.939 11.260 1.00 71.41 N ATOM 1480 CA VAL A 96 0.517 36.297 11.512 1.00 30.12 C ATOM 1481 C VAL A 96 0.624 37.690 12.123 1.00 32.13 C ATOM 1482 O VAL A 96 -0.082 38.613 11.718 1.00 62.43 O ATOM 1483 CB VAL A 96 1.351 36.251 10.218 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.803 36.604 10.505 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.246 34.881 9.566 1.00 60.41 C ATOM 0 H VAL A 96 -1.351 36.544 10.591 1.00 71.41 H new ATOM 0 HA VAL A 96 0.910 35.563 12.216 1.00 30.12 H new ATOM 0 HB VAL A 96 0.953 36.991 9.523 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.377 36.566 9.579 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.857 37.609 10.925 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.217 35.890 11.217 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.841 34.866 8.653 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.617 34.121 10.254 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.204 34.672 9.323 1.00 60.41 H new ATOM 1495 N LYS A 97 1.512 37.835 13.101 1.00 13.43 N ATOM 1496 CA LYS A 97 1.714 39.115 13.767 1.00 32.32 C ATOM 1497 C LYS A 97 3.196 39.471 13.825 1.00 33.23 C ATOM 1498 O LYS A 97 4.041 38.615 14.086 1.00 53.25 O ATOM 1499 CB LYS A 97 1.134 39.073 15.183 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.337 38.698 15.227 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.229 39.915 15.049 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.657 39.516 14.712 1.00 62.22 C ATOM 1503 NZ LYS A 97 -3.370 40.586 13.960 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.103 37.081 13.450 1.00 13.43 H new ATOM 0 HA LYS A 97 1.196 39.882 13.190 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.701 38.357 15.778 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.266 40.049 15.650 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.552 37.971 14.444 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.562 38.217 16.179 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.222 40.509 15.963 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.830 40.547 14.255 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.648 38.601 14.120 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -3.199 39.296 15.632 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -4.340 40.275 13.749 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -3.401 41.452 14.535 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.867 40.779 13.070 1.00 53.42 H new ATOM 1517 N LYS A 98 3.504 40.740 13.581 1.00 54.02 N ATOM 1518 CA LYS A 98 4.884 41.211 13.607 1.00 54.22 C ATOM 1519 C LYS A 98 5.465 41.116 15.014 1.00 33.52 C ATOM 1520 O LYS A 98 5.042 41.833 15.921 1.00 54.13 O ATOM 1521 CB LYS A 98 4.962 42.657 13.109 1.00 72.45 C ATOM 1522 CG LYS A 98 6.046 42.885 12.071 1.00 22.24 C ATOM 1523 CD LYS A 98 5.509 42.719 10.659 1.00 61.03 C ATOM 1524 CE LYS A 98 6.329 41.712 9.867 1.00 12.11 C ATOM 1525 NZ LYS A 98 7.568 42.321 9.307 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.816 41.461 13.363 1.00 54.02 H new ATOM 0 HA LYS A 98 5.471 40.573 12.946 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.999 42.938 12.684 1.00 72.45 H new ATOM 0 HB3 LYS A 98 5.140 43.316 13.959 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.459 43.887 12.189 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.863 42.182 12.236 1.00 22.24 H new ATOM 0 HD2 LYS A 98 4.470 42.392 10.700 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.521 43.682 10.148 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.596 40.874 10.511 1.00 12.11 H new ATOM 0 HE3 LYS A 98 5.723 41.309 9.055 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 8.098 41.602 8.775 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 7.313 43.104 8.672 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 8.159 42.682 10.083 1.00 62.45 H new ATOM 1539 N SER A 99 6.437 40.226 15.189 1.00 5.23 N ATOM 1540 CA SER A 99 7.075 40.035 16.486 1.00 54.21 C ATOM 1541 C SER A 99 8.025 41.187 16.799 1.00 15.23 C ATOM 1542 O SER A 99 8.295 41.485 17.963 1.00 12.25 O ATOM 1543 CB SER A 99 7.836 38.709 16.515 1.00 74.45 C ATOM 1544 OG SER A 99 8.944 38.737 15.632 1.00 71.51 O ATOM 0 H SER A 99 6.800 39.626 14.448 1.00 5.23 H new ATOM 0 HA SER A 99 6.295 40.013 17.247 1.00 54.21 H new ATOM 0 HB2 SER A 99 8.180 38.506 17.529 1.00 74.45 H new ATOM 0 HB3 SER A 99 7.166 37.895 16.237 1.00 74.45 H new ATOM 0 HG SER A 99 9.415 37.878 15.670 1.00 71.51 H new ATOM 1550 N ASP A 100 8.531 41.829 15.752 1.00 41.31 N ATOM 1551 CA ASP A 100 9.451 42.949 15.913 1.00 54.01 C ATOM 1552 C ASP A 100 8.702 44.214 16.318 1.00 20.12 C ATOM 1553 O ASP A 100 9.270 45.112 16.941 1.00 63.13 O ATOM 1554 CB ASP A 100 10.224 43.193 14.616 1.00 12.01 C ATOM 1555 CG ASP A 100 10.992 41.968 14.161 1.00 52.24 C ATOM 1556 OD1 ASP A 100 10.358 41.033 13.629 1.00 33.31 O1- ATOM 1557 OD2 ASP A 100 12.228 41.943 14.338 1.00 51.25 O ATOM 0 H ASP A 100 8.320 41.593 14.782 1.00 41.31 H new ATOM 0 HA ASP A 100 10.156 42.696 16.705 1.00 54.01 H new ATOM 0 HB2 ASP A 100 9.528 43.494 13.833 1.00 12.01 H new ATOM 0 HB3 ASP A 100 10.918 44.021 14.760 1.00 12.01 H new ATOM 1562 N PHE A 101 7.423 44.279 15.961 1.00 63.54 N ATOM 1563 CA PHE A 101 6.597 45.436 16.285 1.00 71.44 C ATOM 1564 C PHE A 101 6.317 45.501 17.784 1.00 52.32 C ATOM 1565 O PHE A 101 6.365 46.571 18.389 1.00 34.45 O ATOM 1566 CB PHE A 101 5.278 45.381 15.511 1.00 63.25 C ATOM 1567 CG PHE A 101 4.445 46.621 15.656 1.00 32.23 C ATOM 1568 CD1 PHE A 101 3.614 46.791 16.751 1.00 74.14 C ATOM 1569 CD2 PHE A 101 4.493 47.620 14.695 1.00 71.11 C ATOM 1570 CE1 PHE A 101 2.847 47.933 16.887 1.00 33.03 C ATOM 1571 CE2 PHE A 101 3.729 48.763 14.826 1.00 3.42 C ATOM 1572 CZ PHE A 101 2.903 48.920 15.922 1.00 74.12 C ATOM 0 H PHE A 101 6.937 43.544 15.447 1.00 63.54 H new ATOM 0 HA PHE A 101 7.143 46.334 15.995 1.00 71.44 H new ATOM 0 HB2 PHE A 101 5.493 45.219 14.455 1.00 63.25 H new ATOM 0 HB3 PHE A 101 4.700 44.523 15.854 1.00 63.25 H new ATOM 0 HD1 PHE A 101 3.565 46.022 17.508 1.00 74.14 H new ATOM 0 HD2 PHE A 101 5.135 47.503 13.835 1.00 71.11 H new ATOM 0 HE1 PHE A 101 2.205 48.053 17.747 1.00 33.03 H new ATOM 0 HE2 PHE A 101 3.777 49.534 14.071 1.00 3.42 H new ATOM 0 HZ PHE A 101 2.303 49.812 16.024 1.00 74.12 H new ATOM 1582 N GLU A 102 6.024 44.347 18.377 1.00 21.35 N ATOM 1583 CA GLU A 102 5.735 44.273 19.804 1.00 14.23 C ATOM 1584 C GLU A 102 7.011 44.030 20.605 1.00 60.31 C ATOM 1585 O GLU A 102 7.268 44.704 21.602 1.00 73.22 O ATOM 1586 CB GLU A 102 4.724 43.160 20.085 1.00 4.10 C ATOM 1587 CG GLU A 102 3.790 42.876 18.919 1.00 33.42 C ATOM 1588 CD GLU A 102 2.432 42.375 19.369 1.00 12.40 C ATOM 1589 OE1 GLU A 102 1.857 42.975 20.301 1.00 22.53 O ATOM 1590 OE2 GLU A 102 1.944 41.382 18.789 1.00 64.41 O1- ATOM 0 H GLU A 102 5.981 43.451 17.891 1.00 21.35 H new ATOM 0 HA GLU A 102 5.309 45.228 20.113 1.00 14.23 H new ATOM 0 HB2 GLU A 102 5.263 42.247 20.339 1.00 4.10 H new ATOM 0 HB3 GLU A 102 4.130 43.432 20.957 1.00 4.10 H new ATOM 0 HG2 GLU A 102 3.661 43.785 18.331 1.00 33.42 H new ATOM 0 HG3 GLU A 102 4.248 42.135 18.264 1.00 33.42 H new ATOM 1597 N VAL A 103 7.806 43.062 20.161 1.00 15.53 N ATOM 1598 CA VAL A 103 9.055 42.730 20.836 1.00 41.23 C ATOM 1599 C VAL A 103 10.208 43.576 20.307 1.00 24.20 C ATOM 1600 O VAL A 103 10.615 43.439 19.154 1.00 11.55 O ATOM 1601 CB VAL A 103 9.407 41.240 20.664 1.00 11.21 C ATOM 1602 CG1 VAL A 103 10.448 40.815 21.690 1.00 71.14 C ATOM 1603 CG2 VAL A 103 8.156 40.382 20.774 1.00 51.01 C ATOM 0 H VAL A 103 7.608 42.494 19.337 1.00 15.53 H new ATOM 0 HA VAL A 103 8.908 42.942 21.895 1.00 41.23 H new ATOM 0 HB VAL A 103 9.832 41.097 19.671 1.00 11.21 H new ATOM 0 HG11 VAL A 103 10.684 39.760 21.553 1.00 71.14 H new ATOM 0 HG12 VAL A 103 11.352 41.409 21.558 1.00 71.14 H new ATOM 0 HG13 VAL A 103 10.054 40.971 22.694 1.00 71.14 H new ATOM 0 HG21 VAL A 103 8.423 39.332 20.650 1.00 51.01 H new ATOM 0 HG22 VAL A 103 7.700 40.527 21.753 1.00 51.01 H new ATOM 0 HG23 VAL A 103 7.448 40.670 19.997 1.00 51.01 H new ATOM 1613 N PHE A 104 10.729 44.453 21.159 1.00 4.44 N ATOM 1614 CA PHE A 104 11.836 45.324 20.778 1.00 53.12 C ATOM 1615 C PHE A 104 13.176 44.641 21.028 1.00 20.21 C ATOM 1616 O PHE A 104 14.149 44.877 20.312 1.00 20.22 O ATOM 1617 CB PHE A 104 11.768 46.640 21.557 1.00 24.34 C ATOM 1618 CG PHE A 104 12.044 46.483 23.025 1.00 11.05 C ATOM 1619 CD1 PHE A 104 13.344 46.502 23.504 1.00 61.43 C ATOM 1620 CD2 PHE A 104 11.004 46.316 23.925 1.00 22.12 C ATOM 1621 CE1 PHE A 104 13.601 46.357 24.855 1.00 72.14 C ATOM 1622 CE2 PHE A 104 11.255 46.171 25.276 1.00 61.14 C ATOM 1623 CZ PHE A 104 12.555 46.192 25.742 1.00 73.40 C ATOM 0 H PHE A 104 10.403 44.580 22.117 1.00 4.44 H new ATOM 0 HA PHE A 104 11.749 45.535 19.712 1.00 53.12 H new ATOM 0 HB2 PHE A 104 12.487 47.341 21.133 1.00 24.34 H new ATOM 0 HB3 PHE A 104 10.779 47.080 21.426 1.00 24.34 H new ATOM 0 HD1 PHE A 104 14.165 46.631 22.815 1.00 61.43 H new ATOM 0 HD2 PHE A 104 9.985 46.299 23.566 1.00 22.12 H new ATOM 0 HE1 PHE A 104 14.619 46.373 25.216 1.00 72.14 H new ATOM 0 HE2 PHE A 104 10.435 46.041 25.967 1.00 61.14 H new ATOM 0 HZ PHE A 104 12.753 46.080 26.798 1.00 73.40 H new ATOM 1633 N ASP A 105 13.220 43.793 22.049 1.00 73.24 N ATOM 1634 CA ASP A 105 14.441 43.073 22.394 1.00 14.44 C ATOM 1635 C ASP A 105 14.473 41.703 21.724 1.00 70.40 C ATOM 1636 O ASP A 105 15.536 41.100 21.573 1.00 42.24 O ATOM 1637 CB ASP A 105 14.555 42.916 23.912 1.00 3.22 C ATOM 1638 CG ASP A 105 13.294 42.341 24.529 1.00 12.21 C ATOM 1639 OD1 ASP A 105 12.869 41.248 24.101 1.00 44.03 O ATOM 1640 OD2 ASP A 105 12.736 42.984 25.442 1.00 24.32 O1- ATOM 0 H ASP A 105 12.424 43.587 22.653 1.00 73.24 H new ATOM 0 HA ASP A 105 15.290 43.653 22.032 1.00 14.44 H new ATOM 0 HB2 ASP A 105 15.399 42.267 24.145 1.00 3.22 H new ATOM 0 HB3 ASP A 105 14.766 43.887 24.360 1.00 3.22 H new TER 1645 ASP A 105