USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= -0.201 K(o=1,f=-0.27) USER MOD Set 1.2: B 3 U O2' : rot -41:sc= 1.21 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.932 K(o=-1.2,f=-6.8!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.256 K(o=-1.2,f=-3.5) USER MOD Set 3.1: A 6 THR OG1 : rot 76:sc= 1.91 USER MOD Set 3.2: A 47 SER OG : rot -131:sc= 0.981 USER MOD Set 3.3: A 49 HIS : no HD1:sc= -1.42 K(o=1.5,f=-0.13) USER MOD Set 4.1: A 16 SER OG : rot 180:sc= -0.205 USER MOD Set 4.2: A 56 GLN : amide:sc= 1.46 K(o=1.3,f=-3.5!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 4 ASN : amide:sc= 0.702 K(o=0.7,f=-0.48) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -141:sc= -0.304 (180deg=-1.61) USER MOD Single : A 15 ASN : amide:sc= 0.117 X(o=0.12,f=-0.091) USER MOD Single : A 22 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.84) USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.993 USER MOD Single : A 29 LYS NZ :NH3+ 135:sc= 0.042 (180deg=-0.274) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -153:sc= 0.818 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 130:sc= -0.473 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -8:sc= 0.337 USER MOD Single : A 74 MET CE :methyl -172:sc= -0.98 (180deg=-1.01) USER MOD Single : A 78 GLN : amide:sc= -0.7 K(o=-0.7,f=-0.033) USER MOD Single : A 83 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.81) USER MOD Single : A 89 LYS NZ :NH3+ 155:sc= 1.34 (180deg=0.451!) USER MOD Single : A 91 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0098 (180deg=-0.157) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 1.12 (180deg=0.975) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0118 (180deg=-0.279) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -36:sc= 1.08 USER MOD Single : B 1 U O5' : rot 149:sc= -0.173 USER MOD Single : B 2 U O2' : rot 20:sc= 0.102 USER MOD Single : B 4 U O2' : rot 144:sc= 0.454 USER MOD Single : B 5 C O2' : rot 178:sc= 0 USER MOD Single : B 5 C O3' : rot 129:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.578 8.224 -5.942 1.00 0.00 N ATOM 2 CA ALA A 2 9.397 8.678 -5.189 1.00 0.00 C ATOM 3 C ALA A 2 9.810 9.352 -3.882 1.00 0.00 C ATOM 4 O ALA A 2 10.923 9.144 -3.400 1.00 0.00 O ATOM 5 CB ALA A 2 8.446 7.512 -4.917 1.00 0.00 C ATOM 0 HA ALA A 2 8.871 9.413 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.581 7.871 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.116 7.083 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.963 6.750 -4.334 1.00 0.00 H new ATOM 13 N SER A 3 8.912 10.161 -3.311 1.00 0.00 N ATOM 14 CA SER A 3 9.157 10.829 -2.040 1.00 0.00 C ATOM 15 C SER A 3 9.144 9.820 -0.894 1.00 0.00 C ATOM 16 O SER A 3 8.641 8.708 -1.044 1.00 0.00 O ATOM 17 CB SER A 3 8.094 11.909 -1.820 1.00 0.00 C ATOM 18 OG SER A 3 8.341 12.594 -0.609 1.00 0.00 O ATOM 0 H SER A 3 8.000 10.367 -3.719 1.00 0.00 H new ATOM 0 HA SER A 3 10.141 11.297 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.101 12.612 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.103 11.455 -1.795 1.00 0.00 H new ATOM 0 HG SER A 3 7.657 13.284 -0.478 1.00 0.00 H new ATOM 24 N ASN A 4 9.703 10.206 0.256 1.00 0.00 N ATOM 25 CA ASN A 4 9.733 9.355 1.437 1.00 0.00 C ATOM 26 C ASN A 4 8.494 9.572 2.311 1.00 0.00 C ATOM 27 O ASN A 4 8.383 8.974 3.379 1.00 0.00 O ATOM 28 CB ASN A 4 11.026 9.620 2.208 1.00 0.00 C ATOM 29 CG ASN A 4 11.137 11.077 2.636 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.680 11.906 1.909 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.626 11.409 3.817 1.00 0.00 N ATOM 0 H ASN A 4 10.145 11.116 0.389 1.00 0.00 H new ATOM 0 HA ASN A 4 9.714 8.309 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.063 8.978 3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.881 9.357 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.678 12.374 4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.181 10.698 4.398 1.00 0.00 H new ATOM 38 N VAL A 5 7.566 10.427 1.865 1.00 0.00 N ATOM 39 CA VAL A 5 6.384 10.785 2.639 1.00 0.00 C ATOM 40 C VAL A 5 5.161 9.999 2.171 1.00 0.00 C ATOM 41 O VAL A 5 4.932 9.855 0.968 1.00 0.00 O ATOM 42 CB VAL A 5 6.162 12.299 2.564 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.900 12.711 3.322 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.350 13.021 3.196 1.00 0.00 C ATOM 0 H VAL A 5 7.619 10.887 0.956 1.00 0.00 H new ATOM 0 HA VAL A 5 6.543 10.516 3.683 1.00 0.00 H new ATOM 0 HB VAL A 5 6.055 12.569 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.769 13.791 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.035 12.211 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.995 12.425 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.192 14.098 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.446 12.720 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.262 12.761 2.658 1.00 0.00 H new ATOM 54 N THR A 6 4.381 9.496 3.134 1.00 0.00 N ATOM 55 CA THR A 6 3.194 8.689 2.871 1.00 0.00 C ATOM 56 C THR A 6 2.126 8.875 3.949 1.00 0.00 C ATOM 57 O THR A 6 1.131 8.158 3.946 1.00 0.00 O ATOM 58 CB THR A 6 3.568 7.202 2.804 1.00 0.00 C ATOM 59 OG1 THR A 6 4.191 6.804 4.006 1.00 0.00 O ATOM 60 CG2 THR A 6 4.522 6.891 1.654 1.00 0.00 C ATOM 0 H THR A 6 4.562 9.642 4.127 1.00 0.00 H new ATOM 0 HA THR A 6 2.787 9.023 1.916 1.00 0.00 H new ATOM 0 HB THR A 6 2.638 6.656 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.514 6.705 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.754 5.826 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.052 7.162 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.441 7.463 1.779 1.00 0.00 H new ATOM 68 N ASN A 7 2.296 9.818 4.880 1.00 0.00 N ATOM 69 CA ASN A 7 1.386 9.963 6.007 1.00 0.00 C ATOM 70 C ASN A 7 0.477 11.192 5.880 1.00 0.00 C ATOM 71 O ASN A 7 0.141 11.826 6.880 1.00 0.00 O ATOM 72 CB ASN A 7 2.178 9.934 7.317 1.00 0.00 C ATOM 73 CG ASN A 7 1.292 9.723 8.537 1.00 0.00 C ATOM 74 OD1 ASN A 7 0.124 9.361 8.419 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.848 9.949 9.723 1.00 0.00 N ATOM 0 H ASN A 7 3.061 10.493 4.870 1.00 0.00 H new ATOM 0 HA ASN A 7 0.702 9.114 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.920 9.137 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.723 10.871 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.301 9.823 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.821 10.249 9.781 1.00 0.00 H new ATOM 82 N LYS A 8 0.076 11.536 4.655 1.00 0.00 N ATOM 83 CA LYS A 8 -0.862 12.627 4.430 1.00 0.00 C ATOM 84 C LYS A 8 -2.268 12.157 4.798 1.00 0.00 C ATOM 85 O LYS A 8 -2.672 11.055 4.425 1.00 0.00 O ATOM 86 CB LYS A 8 -0.787 13.104 2.981 1.00 0.00 C ATOM 87 CG LYS A 8 0.598 13.697 2.704 1.00 0.00 C ATOM 88 CD LYS A 8 0.641 14.360 1.327 1.00 0.00 C ATOM 89 CE LYS A 8 0.418 13.345 0.207 1.00 0.00 C ATOM 90 NZ LYS A 8 0.457 14.002 -1.115 1.00 0.00 N ATOM 0 H LYS A 8 0.390 11.070 3.803 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.603 13.477 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.979 12.272 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.558 13.852 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.845 14.429 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.352 12.912 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.122 15.136 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.605 14.850 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.183 12.570 0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.544 12.852 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.303 13.293 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.289 14.725 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.385 14.452 -1.252 1.00 0.00 H new ATOM 104 N THR A 9 -3.012 12.989 5.527 1.00 0.00 N ATOM 105 CA THR A 9 -4.319 12.620 6.058 1.00 0.00 C ATOM 106 C THR A 9 -5.463 13.368 5.383 1.00 0.00 C ATOM 107 O THR A 9 -6.577 13.392 5.902 1.00 0.00 O ATOM 108 CB THR A 9 -4.355 12.810 7.578 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.079 14.156 7.902 1.00 0.00 O ATOM 110 CG2 THR A 9 -3.309 11.921 8.252 1.00 0.00 C ATOM 0 H THR A 9 -2.723 13.938 5.765 1.00 0.00 H new ATOM 0 HA THR A 9 -4.468 11.564 5.833 1.00 0.00 H new ATOM 0 HB THR A 9 -5.349 12.537 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.105 14.270 8.875 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.348 12.068 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.516 10.876 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.317 12.184 7.885 1.00 0.00 H new ATOM 118 N ASP A 10 -5.201 13.983 4.223 1.00 0.00 N ATOM 119 CA ASP A 10 -6.229 14.689 3.471 1.00 0.00 C ATOM 120 C ASP A 10 -7.299 13.703 2.996 1.00 0.00 C ATOM 121 O ASP A 10 -7.007 12.523 2.805 1.00 0.00 O ATOM 122 CB ASP A 10 -5.584 15.426 2.298 1.00 0.00 C ATOM 123 CG ASP A 10 -4.599 16.483 2.781 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.044 17.632 2.990 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.407 16.134 2.937 1.00 0.00 O ATOM 0 H ASP A 10 -4.278 14.002 3.788 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.717 15.425 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.068 14.712 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.358 15.897 1.692 1.00 0.00 H new ATOM 130 N PRO A 11 -8.540 14.167 2.800 1.00 0.00 N ATOM 131 CA PRO A 11 -9.684 13.331 2.467 1.00 0.00 C ATOM 132 C PRO A 11 -9.571 12.702 1.074 1.00 0.00 C ATOM 133 O PRO A 11 -10.473 11.984 0.655 1.00 0.00 O ATOM 134 CB PRO A 11 -10.899 14.254 2.574 1.00 0.00 C ATOM 135 CG PRO A 11 -10.321 15.626 2.261 1.00 0.00 C ATOM 136 CD PRO A 11 -8.943 15.558 2.910 1.00 0.00 C ATOM 0 HA PRO A 11 -9.757 12.480 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.680 13.975 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.343 14.221 3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.256 15.804 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.928 16.428 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.236 16.214 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.982 15.876 3.952 1.00 0.00 H new ATOM 144 N ARG A 12 -8.474 12.964 0.355 1.00 0.00 N ATOM 145 CA ARG A 12 -8.231 12.369 -0.953 1.00 0.00 C ATOM 146 C ARG A 12 -6.851 11.719 -0.988 1.00 0.00 C ATOM 147 O ARG A 12 -6.646 10.737 -1.697 1.00 0.00 O ATOM 148 CB ARG A 12 -8.373 13.452 -2.027 1.00 0.00 C ATOM 149 CG ARG A 12 -9.108 12.929 -3.265 1.00 0.00 C ATOM 150 CD ARG A 12 -8.360 11.812 -3.992 1.00 0.00 C ATOM 151 NE ARG A 12 -9.092 11.396 -5.194 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.972 11.978 -6.392 1.00 0.00 C ATOM 153 NH1 ARG A 12 -8.142 13.001 -6.581 1.00 0.00 N ATOM 154 NH2 ARG A 12 -9.693 11.534 -7.415 1.00 0.00 N ATOM 0 H ARG A 12 -7.735 13.594 0.667 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.964 11.586 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.914 14.304 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.385 13.811 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.091 12.563 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.272 13.755 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.363 12.155 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.231 10.960 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.736 10.610 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.583 13.355 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.065 13.431 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.335 10.752 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.605 11.975 -8.331 1.00 0.00 H new ATOM 168 N SER A 13 -5.901 12.259 -0.222 1.00 0.00 N ATOM 169 CA SER A 13 -4.545 11.737 -0.204 1.00 0.00 C ATOM 170 C SER A 13 -4.453 10.455 0.612 1.00 0.00 C ATOM 171 O SER A 13 -3.538 9.664 0.393 1.00 0.00 O ATOM 172 CB SER A 13 -3.584 12.785 0.355 1.00 0.00 C ATOM 173 OG SER A 13 -3.671 13.974 -0.407 1.00 0.00 O ATOM 0 H SER A 13 -6.052 13.059 0.393 1.00 0.00 H new ATOM 0 HA SER A 13 -4.264 11.503 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.825 12.993 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.563 12.403 0.334 1.00 0.00 H new ATOM 0 HG SER A 13 -3.054 14.642 -0.042 1.00 0.00 H new ATOM 179 N MET A 14 -5.378 10.215 1.548 1.00 0.00 N ATOM 180 CA MET A 14 -5.367 8.958 2.278 1.00 0.00 C ATOM 181 C MET A 14 -6.174 7.878 1.550 1.00 0.00 C ATOM 182 O MET A 14 -6.235 6.739 2.008 1.00 0.00 O ATOM 183 CB MET A 14 -5.789 9.155 3.734 1.00 0.00 C ATOM 184 CG MET A 14 -7.302 9.145 3.948 1.00 0.00 C ATOM 185 SD MET A 14 -7.781 9.137 5.700 1.00 0.00 S ATOM 186 CE MET A 14 -6.936 7.631 6.266 1.00 0.00 C ATOM 0 H MET A 14 -6.123 10.861 1.808 1.00 0.00 H new ATOM 0 HA MET A 14 -4.341 8.592 2.309 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.341 8.368 4.341 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.388 10.103 4.093 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.736 10.020 3.464 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.725 8.268 3.459 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.574 7.099 6.972 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.726 6.988 5.411 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.000 7.901 6.756 1.00 0.00 H new ATOM 196 N ASN A 15 -6.792 8.235 0.419 1.00 0.00 N ATOM 197 CA ASN A 15 -7.513 7.289 -0.417 1.00 0.00 C ATOM 198 C ASN A 15 -6.695 6.933 -1.660 1.00 0.00 C ATOM 199 O ASN A 15 -6.922 5.893 -2.267 1.00 0.00 O ATOM 200 CB ASN A 15 -8.885 7.860 -0.781 1.00 0.00 C ATOM 201 CG ASN A 15 -9.799 7.907 0.434 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.278 6.877 0.894 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.052 9.099 0.967 1.00 0.00 N ATOM 0 H ASN A 15 -6.802 9.191 0.063 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.669 6.364 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.768 8.863 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.341 7.249 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.660 9.174 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.638 9.938 0.560 1.00 0.00 H new ATOM 210 N SER A 16 -5.741 7.790 -2.040 1.00 0.00 N ATOM 211 CA SER A 16 -4.773 7.489 -3.085 1.00 0.00 C ATOM 212 C SER A 16 -3.559 6.754 -2.513 1.00 0.00 C ATOM 213 O SER A 16 -2.586 6.526 -3.225 1.00 0.00 O ATOM 214 CB SER A 16 -4.380 8.769 -3.814 1.00 0.00 C ATOM 215 OG SER A 16 -3.825 9.697 -2.912 1.00 0.00 O ATOM 0 H SER A 16 -5.623 8.715 -1.626 1.00 0.00 H new ATOM 0 HA SER A 16 -5.231 6.818 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.660 8.541 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.255 9.202 -4.299 1.00 0.00 H new ATOM 0 HG SER A 16 -3.576 10.513 -3.394 1.00 0.00 H new ATOM 221 N ARG A 17 -3.612 6.386 -1.227 1.00 0.00 N ATOM 222 CA ARG A 17 -2.551 5.639 -0.563 1.00 0.00 C ATOM 223 C ARG A 17 -2.928 4.163 -0.470 1.00 0.00 C ATOM 224 O ARG A 17 -4.109 3.820 -0.416 1.00 0.00 O ATOM 225 CB ARG A 17 -2.301 6.231 0.824 1.00 0.00 C ATOM 226 CG ARG A 17 -1.155 5.489 1.514 1.00 0.00 C ATOM 227 CD ARG A 17 -0.527 6.337 2.614 1.00 0.00 C ATOM 228 NE ARG A 17 -1.500 6.741 3.636 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.966 7.983 3.779 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.645 8.949 2.924 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.772 8.269 4.793 1.00 0.00 N ATOM 0 H ARG A 17 -4.401 6.603 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.632 5.715 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.059 7.290 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.206 6.159 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.527 4.556 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.396 5.224 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.279 5.775 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.079 7.227 2.172 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.842 6.026 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.029 8.749 2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.015 9.890 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.032 7.541 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.131 9.217 4.907 1.00 0.00 H new ATOM 245 N VAL A 18 -1.918 3.290 -0.450 1.00 0.00 N ATOM 246 CA VAL A 18 -2.109 1.854 -0.325 1.00 0.00 C ATOM 247 C VAL A 18 -1.285 1.317 0.835 1.00 0.00 C ATOM 248 O VAL A 18 -0.088 1.585 0.932 1.00 0.00 O ATOM 249 CB VAL A 18 -1.716 1.168 -1.633 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.895 -0.345 -1.511 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.601 1.683 -2.762 1.00 0.00 C ATOM 0 H VAL A 18 -0.939 3.568 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.159 1.644 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.670 1.390 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.612 -0.822 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.263 -0.722 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.938 -0.571 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.321 1.194 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.644 1.463 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.471 2.760 -2.864 1.00 0.00 H new ATOM 261 N PHE A 19 -1.939 0.555 1.709 1.00 0.00 N ATOM 262 CA PHE A 19 -1.292 -0.122 2.818 1.00 0.00 C ATOM 263 C PHE A 19 -0.802 -1.492 2.352 1.00 0.00 C ATOM 264 O PHE A 19 -1.548 -2.223 1.701 1.00 0.00 O ATOM 265 CB PHE A 19 -2.298 -0.245 3.968 1.00 0.00 C ATOM 266 CG PHE A 19 -1.789 -0.985 5.186 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.488 -0.758 5.659 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.618 -1.901 5.849 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.019 -1.449 6.785 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.150 -2.588 6.977 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.849 -2.368 7.441 1.00 0.00 C ATOM 0 H PHE A 19 -2.945 0.392 1.662 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.429 0.442 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.604 0.756 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.189 -0.753 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.153 -0.050 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.621 -2.078 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.983 -1.273 7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.794 -3.288 7.488 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.485 -2.906 8.304 1.00 0.00 H new ATOM 281 N ILE A 20 0.446 -1.837 2.680 1.00 0.00 N ATOM 282 CA ILE A 20 1.040 -3.117 2.319 1.00 0.00 C ATOM 283 C ILE A 20 1.449 -3.826 3.605 1.00 0.00 C ATOM 284 O ILE A 20 2.596 -3.741 4.039 1.00 0.00 O ATOM 285 CB ILE A 20 2.235 -2.903 1.379 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.792 -2.194 0.092 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.908 -4.237 1.021 1.00 0.00 C ATOM 288 CD1 ILE A 20 2.991 -1.579 -0.631 1.00 0.00 C ATOM 0 H ILE A 20 1.073 -1.229 3.207 1.00 0.00 H new ATOM 0 HA ILE A 20 0.323 -3.738 1.781 1.00 0.00 H new ATOM 0 HB ILE A 20 2.956 -2.278 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.291 -2.904 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.068 -1.415 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.750 -4.052 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.264 -4.720 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.187 -4.886 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.652 -1.082 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.475 -0.852 0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.702 -2.364 -0.890 1.00 0.00 H new ATOM 300 N GLY A 21 0.493 -4.525 4.214 1.00 0.00 N ATOM 301 CA GLY A 21 0.726 -5.285 5.428 1.00 0.00 C ATOM 302 C GLY A 21 1.266 -6.673 5.106 1.00 0.00 C ATOM 303 O GLY A 21 1.347 -7.065 3.943 1.00 0.00 O ATOM 0 H GLY A 21 -0.467 -4.577 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.434 -4.754 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.204 -5.374 5.990 1.00 0.00 H new ATOM 307 N ASN A 22 1.637 -7.418 6.152 1.00 0.00 N ATOM 308 CA ASN A 22 2.191 -8.759 6.014 1.00 0.00 C ATOM 309 C ASN A 22 3.322 -8.780 4.980 1.00 0.00 C ATOM 310 O ASN A 22 3.357 -9.647 4.111 1.00 0.00 O ATOM 311 CB ASN A 22 1.076 -9.759 5.696 1.00 0.00 C ATOM 312 CG ASN A 22 1.557 -11.202 5.804 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.478 -11.505 6.559 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.935 -12.107 5.056 1.00 0.00 N ATOM 0 H ASN A 22 1.559 -7.103 7.119 1.00 0.00 H new ATOM 0 HA ASN A 22 2.636 -9.064 6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.242 -9.602 6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.701 -9.576 4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.219 -13.086 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.174 -11.823 4.439 1.00 0.00 H new ATOM 321 N LEU A 23 4.250 -7.824 5.071 1.00 0.00 N ATOM 322 CA LEU A 23 5.379 -7.718 4.162 1.00 0.00 C ATOM 323 C LEU A 23 6.615 -8.336 4.814 1.00 0.00 C ATOM 324 O LEU A 23 6.787 -8.226 6.027 1.00 0.00 O ATOM 325 CB LEU A 23 5.571 -6.240 3.804 1.00 0.00 C ATOM 326 CG LEU A 23 6.705 -5.980 2.809 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.468 -6.675 1.472 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.812 -4.477 2.570 1.00 0.00 C ATOM 0 H LEU A 23 4.233 -7.098 5.787 1.00 0.00 H new ATOM 0 HA LEU A 23 5.201 -8.268 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.641 -5.854 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.768 -5.679 4.717 1.00 0.00 H new ATOM 0 HG LEU A 23 7.625 -6.380 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.298 -6.462 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.396 -7.751 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.540 -6.309 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.617 -4.277 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.871 -4.105 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.025 -3.973 3.513 1.00 0.00 H new ATOM 340 N ASN A 24 7.479 -8.982 4.024 1.00 0.00 N ATOM 341 CA ASN A 24 8.660 -9.631 4.575 1.00 0.00 C ATOM 342 C ASN A 24 9.667 -8.596 5.081 1.00 0.00 C ATOM 343 O ASN A 24 10.247 -8.765 6.148 1.00 0.00 O ATOM 344 CB ASN A 24 9.304 -10.512 3.501 1.00 0.00 C ATOM 345 CG ASN A 24 10.378 -11.407 4.104 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.223 -11.921 5.208 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.476 -11.600 3.385 1.00 0.00 N ATOM 0 H ASN A 24 7.380 -9.066 3.012 1.00 0.00 H new ATOM 0 HA ASN A 24 8.358 -10.248 5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.541 -11.125 3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.742 -9.884 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.225 -12.191 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.572 -11.157 2.471 1.00 0.00 H new ATOM 354 N THR A 25 9.857 -7.525 4.299 1.00 0.00 N ATOM 355 CA THR A 25 10.747 -6.386 4.557 1.00 0.00 C ATOM 356 C THR A 25 12.224 -6.743 4.729 1.00 0.00 C ATOM 357 O THR A 25 13.061 -5.847 4.814 1.00 0.00 O ATOM 358 CB THR A 25 10.235 -5.520 5.716 1.00 0.00 C ATOM 359 OG1 THR A 25 10.346 -6.192 6.953 1.00 0.00 O ATOM 360 CG2 THR A 25 8.778 -5.133 5.487 1.00 0.00 C ATOM 0 H THR A 25 9.362 -7.425 3.413 1.00 0.00 H new ATOM 0 HA THR A 25 10.712 -5.797 3.641 1.00 0.00 H new ATOM 0 HB THR A 25 10.854 -4.624 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.593 -7.127 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.430 -4.519 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.693 -4.569 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.168 -6.034 5.421 1.00 0.00 H new ATOM 368 N LEU A 26 12.560 -8.033 4.780 1.00 0.00 N ATOM 369 CA LEU A 26 13.939 -8.483 4.853 1.00 0.00 C ATOM 370 C LEU A 26 14.615 -8.454 3.483 1.00 0.00 C ATOM 371 O LEU A 26 15.836 -8.336 3.405 1.00 0.00 O ATOM 372 CB LEU A 26 13.951 -9.909 5.393 1.00 0.00 C ATOM 373 CG LEU A 26 13.408 -10.017 6.823 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.550 -11.460 7.302 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.158 -9.097 7.781 1.00 0.00 C ATOM 0 H LEU A 26 11.878 -8.791 4.771 1.00 0.00 H new ATOM 0 HA LEU A 26 14.492 -7.811 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.357 -10.544 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.971 -10.291 5.369 1.00 0.00 H new ATOM 0 HG LEU A 26 12.361 -9.714 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.166 -11.545 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.984 -12.119 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.601 -11.747 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.745 -9.202 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.214 -9.367 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.052 -8.064 7.451 1.00 0.00 H new ATOM 387 N VAL A 27 13.827 -8.559 2.409 1.00 0.00 N ATOM 388 CA VAL A 27 14.348 -8.593 1.045 1.00 0.00 C ATOM 389 C VAL A 27 13.812 -7.429 0.207 1.00 0.00 C ATOM 390 O VAL A 27 14.443 -7.047 -0.775 1.00 0.00 O ATOM 391 CB VAL A 27 14.005 -9.946 0.411 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.582 -10.058 -1.000 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.580 -11.089 1.247 1.00 0.00 C ATOM 0 H VAL A 27 12.810 -8.623 2.464 1.00 0.00 H new ATOM 0 HA VAL A 27 15.431 -8.478 1.076 1.00 0.00 H new ATOM 0 HB VAL A 27 12.918 -10.014 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.322 -11.028 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.169 -9.267 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.667 -9.959 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.327 -12.042 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.664 -10.989 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.159 -11.052 2.252 1.00 0.00 H new ATOM 403 N VAL A 28 12.662 -6.859 0.583 1.00 0.00 N ATOM 404 CA VAL A 28 12.091 -5.721 -0.132 1.00 0.00 C ATOM 405 C VAL A 28 12.338 -4.438 0.652 1.00 0.00 C ATOM 406 O VAL A 28 12.275 -4.437 1.882 1.00 0.00 O ATOM 407 CB VAL A 28 10.600 -5.951 -0.404 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.002 -4.800 -1.212 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.414 -7.244 -1.195 1.00 0.00 C ATOM 0 H VAL A 28 12.110 -7.171 1.382 1.00 0.00 H new ATOM 0 HA VAL A 28 12.582 -5.619 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 28 10.091 -6.014 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.944 -4.991 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.114 -3.869 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.521 -4.718 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.353 -7.404 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.947 -7.170 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.810 -8.082 -0.621 1.00 0.00 H new ATOM 419 N LYS A 29 12.622 -3.342 -0.063 1.00 0.00 N ATOM 420 CA LYS A 29 12.915 -2.043 0.531 1.00 0.00 C ATOM 421 C LYS A 29 12.146 -0.951 -0.204 1.00 0.00 C ATOM 422 O LYS A 29 11.512 -1.196 -1.225 1.00 0.00 O ATOM 423 CB LYS A 29 14.424 -1.763 0.494 1.00 0.00 C ATOM 424 CG LYS A 29 15.229 -2.628 1.472 1.00 0.00 C ATOM 425 CD LYS A 29 15.645 -3.969 0.859 1.00 0.00 C ATOM 426 CE LYS A 29 16.486 -4.779 1.847 1.00 0.00 C ATOM 427 NZ LYS A 29 15.729 -5.086 3.078 1.00 0.00 N ATOM 0 H LYS A 29 12.654 -3.338 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 29 12.598 -2.052 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.793 -1.933 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.597 -0.712 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.119 -2.083 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.634 -2.810 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.758 -4.537 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.215 -3.796 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.809 -5.708 1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.387 -4.221 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.872 -6.084 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.065 -4.479 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.717 -4.912 2.915 1.00 0.00 H new ATOM 441 N LYS A 30 12.208 0.271 0.328 1.00 0.00 N ATOM 442 CA LYS A 30 11.545 1.444 -0.238 1.00 0.00 C ATOM 443 C LYS A 30 12.119 1.827 -1.600 1.00 0.00 C ATOM 444 O LYS A 30 11.590 2.713 -2.262 1.00 0.00 O ATOM 445 CB LYS A 30 11.651 2.589 0.768 1.00 0.00 C ATOM 446 CG LYS A 30 13.110 2.889 1.132 1.00 0.00 C ATOM 447 CD LYS A 30 13.203 3.324 2.591 1.00 0.00 C ATOM 448 CE LYS A 30 12.455 4.638 2.829 1.00 0.00 C ATOM 449 NZ LYS A 30 12.566 5.066 4.238 1.00 0.00 N ATOM 0 H LYS A 30 12.730 0.475 1.180 1.00 0.00 H new ATOM 0 HA LYS A 30 10.495 1.213 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.188 3.484 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.096 2.333 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.724 2.004 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.502 3.673 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.788 2.546 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.250 3.443 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.859 5.413 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.405 4.515 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.050 5.959 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.159 4.335 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.568 5.205 4.481 1.00 0.00 H new ATOM 463 N SER A 31 13.196 1.157 -2.018 1.00 0.00 N ATOM 464 CA SER A 31 13.796 1.337 -3.332 1.00 0.00 C ATOM 465 C SER A 31 13.322 0.249 -4.299 1.00 0.00 C ATOM 466 O SER A 31 13.718 0.237 -5.464 1.00 0.00 O ATOM 467 CB SER A 31 15.319 1.332 -3.207 1.00 0.00 C ATOM 468 OG SER A 31 15.729 2.332 -2.296 1.00 0.00 O ATOM 0 H SER A 31 13.678 0.467 -1.442 1.00 0.00 H new ATOM 0 HA SER A 31 13.481 2.299 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.662 0.355 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.773 1.507 -4.182 1.00 0.00 H new ATOM 0 HG SER A 31 16.706 2.323 -2.218 1.00 0.00 H new ATOM 474 N ASP A 32 12.475 -0.668 -3.815 1.00 0.00 N ATOM 475 CA ASP A 32 11.928 -1.764 -4.596 1.00 0.00 C ATOM 476 C ASP A 32 10.414 -1.624 -4.734 1.00 0.00 C ATOM 477 O ASP A 32 9.840 -1.989 -5.760 1.00 0.00 O ATOM 478 CB ASP A 32 12.277 -3.070 -3.883 1.00 0.00 C ATOM 479 CG ASP A 32 13.769 -3.374 -3.969 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.214 -3.774 -5.068 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.456 -3.203 -2.936 1.00 0.00 O ATOM 0 H ASP A 32 12.149 -0.661 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 32 12.353 -1.755 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.978 -3.006 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.712 -3.890 -4.326 1.00 0.00 H new ATOM 486 N VAL A 33 9.752 -1.093 -3.703 1.00 0.00 N ATOM 487 CA VAL A 33 8.310 -0.878 -3.744 1.00 0.00 C ATOM 488 C VAL A 33 7.979 0.120 -4.853 1.00 0.00 C ATOM 489 O VAL A 33 6.927 0.021 -5.479 1.00 0.00 O ATOM 490 CB VAL A 33 7.842 -0.371 -2.376 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.365 0.008 -2.411 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.016 -1.467 -1.325 1.00 0.00 C ATOM 0 H VAL A 33 10.195 -0.805 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 33 7.790 -1.811 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 33 8.443 0.504 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.058 0.365 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.209 0.796 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.772 -0.865 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.681 -1.098 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.424 -2.338 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.067 -1.748 -1.263 1.00 0.00 H new ATOM 502 N GLU A 34 8.875 1.078 -5.103 1.00 0.00 N ATOM 503 CA GLU A 34 8.683 2.063 -6.162 1.00 0.00 C ATOM 504 C GLU A 34 9.010 1.492 -7.543 1.00 0.00 C ATOM 505 O GLU A 34 9.037 2.236 -8.525 1.00 0.00 O ATOM 506 CB GLU A 34 9.477 3.339 -5.871 1.00 0.00 C ATOM 507 CG GLU A 34 10.986 3.090 -5.875 1.00 0.00 C ATOM 508 CD GLU A 34 11.780 4.378 -5.644 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.185 5.475 -5.751 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.993 4.253 -5.363 1.00 0.00 O ATOM 0 H GLU A 34 9.744 1.190 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 34 7.625 2.326 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.233 4.096 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.178 3.738 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.236 2.366 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.278 2.650 -6.828 1.00 0.00 H new ATOM 517 N ALA A 35 9.258 0.181 -7.625 1.00 0.00 N ATOM 518 CA ALA A 35 9.518 -0.505 -8.881 1.00 0.00 C ATOM 519 C ALA A 35 8.581 -1.704 -9.056 1.00 0.00 C ATOM 520 O ALA A 35 8.561 -2.319 -10.119 1.00 0.00 O ATOM 521 CB ALA A 35 10.983 -0.935 -8.923 1.00 0.00 C ATOM 0 H ALA A 35 9.283 -0.433 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 35 9.324 0.176 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.184 -1.450 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.623 -0.056 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.189 -1.607 -8.090 1.00 0.00 H new ATOM 527 N ILE A 36 7.806 -2.036 -8.017 1.00 0.00 N ATOM 528 CA ILE A 36 6.859 -3.148 -8.052 1.00 0.00 C ATOM 529 C ILE A 36 5.419 -2.637 -8.039 1.00 0.00 C ATOM 530 O ILE A 36 4.522 -3.307 -8.544 1.00 0.00 O ATOM 531 CB ILE A 36 7.136 -4.063 -6.855 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.552 -4.642 -6.968 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.107 -5.195 -6.797 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.010 -5.247 -5.639 1.00 0.00 C ATOM 0 H ILE A 36 7.821 -1.537 -7.127 1.00 0.00 H new ATOM 0 HA ILE A 36 6.988 -3.713 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 36 7.057 -3.480 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.574 -5.406 -7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.245 -3.858 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.319 -5.836 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.107 -4.773 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.162 -5.784 -7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.017 -5.649 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.010 -4.476 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.329 -6.048 -5.350 1.00 0.00 H new ATOM 546 N PHE A 37 5.200 -1.453 -7.466 1.00 0.00 N ATOM 547 CA PHE A 37 3.876 -0.855 -7.389 1.00 0.00 C ATOM 548 C PHE A 37 3.738 0.298 -8.382 1.00 0.00 C ATOM 549 O PHE A 37 2.651 0.852 -8.535 1.00 0.00 O ATOM 550 CB PHE A 37 3.614 -0.413 -5.948 1.00 0.00 C ATOM 551 CG PHE A 37 3.402 -1.563 -4.988 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.503 -2.259 -4.474 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.101 -1.930 -4.609 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.306 -3.325 -3.589 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.905 -2.998 -3.721 1.00 0.00 C ATOM 556 CZ PHE A 37 3.008 -3.692 -3.210 1.00 0.00 C ATOM 0 H PHE A 37 5.936 -0.887 -7.045 1.00 0.00 H new ATOM 0 HA PHE A 37 3.122 -1.591 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.456 0.187 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.735 0.231 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.504 -1.973 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.252 -1.390 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.155 -3.865 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.905 -3.284 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.858 -4.511 -2.523 1.00 0.00 H new ATOM 566 N SER A 38 4.831 0.663 -9.059 1.00 0.00 N ATOM 567 CA SER A 38 4.824 1.741 -10.041 1.00 0.00 C ATOM 568 C SER A 38 4.169 1.303 -11.345 1.00 0.00 C ATOM 569 O SER A 38 3.835 2.137 -12.184 1.00 0.00 O ATOM 570 CB SER A 38 6.263 2.181 -10.304 1.00 0.00 C ATOM 571 OG SER A 38 7.032 1.082 -10.744 1.00 0.00 O ATOM 0 H SER A 38 5.741 0.218 -8.939 1.00 0.00 H new ATOM 0 HA SER A 38 4.242 2.572 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.279 2.970 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.696 2.598 -9.395 1.00 0.00 H new ATOM 0 HG SER A 38 7.953 1.373 -10.912 1.00 0.00 H new ATOM 577 N LYS A 39 3.982 -0.009 -11.518 1.00 0.00 N ATOM 578 CA LYS A 39 3.357 -0.572 -12.708 1.00 0.00 C ATOM 579 C LYS A 39 1.829 -0.510 -12.646 1.00 0.00 C ATOM 580 O LYS A 39 1.170 -0.757 -13.655 1.00 0.00 O ATOM 581 CB LYS A 39 3.859 -2.003 -12.884 1.00 0.00 C ATOM 582 CG LYS A 39 3.369 -2.879 -11.732 1.00 0.00 C ATOM 583 CD LYS A 39 4.210 -4.149 -11.634 1.00 0.00 C ATOM 584 CE LYS A 39 4.090 -4.988 -12.906 1.00 0.00 C ATOM 585 NZ LYS A 39 4.876 -6.231 -12.802 1.00 0.00 N ATOM 0 H LYS A 39 4.263 -0.709 -10.831 1.00 0.00 H new ATOM 0 HA LYS A 39 3.638 0.025 -13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.505 -2.406 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.948 -2.012 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.426 -2.324 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.322 -3.140 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.254 -3.885 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.887 -4.737 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.043 -5.231 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.435 -4.407 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.775 -6.780 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.878 -5.997 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.530 -6.795 -12.000 1.00 0.00 H new ATOM 599 N TYR A 40 1.263 -0.183 -11.478 1.00 0.00 N ATOM 600 CA TYR A 40 -0.182 -0.057 -11.317 1.00 0.00 C ATOM 601 C TYR A 40 -0.603 1.403 -11.187 1.00 0.00 C ATOM 602 O TYR A 40 -1.783 1.723 -11.313 1.00 0.00 O ATOM 603 CB TYR A 40 -0.625 -0.866 -10.099 1.00 0.00 C ATOM 604 CG TYR A 40 -0.203 -2.315 -10.181 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.854 -3.191 -11.064 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.851 -2.775 -9.381 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.438 -4.528 -11.160 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.277 -4.104 -9.477 1.00 0.00 C ATOM 609 CZ TYR A 40 0.633 -4.988 -10.366 1.00 0.00 C ATOM 610 OH TYR A 40 1.042 -6.285 -10.457 1.00 0.00 O ATOM 0 H TYR A 40 1.793 -0.000 -10.626 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.671 -0.451 -12.208 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.205 -0.419 -9.198 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.710 -0.812 -10.006 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.675 -2.836 -11.669 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.336 -2.102 -8.689 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.937 -5.203 -11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.099 -4.453 -8.870 1.00 0.00 H new ATOM 0 HH TYR A 40 1.448 -6.560 -9.609 1.00 0.00 H new ATOM 620 N GLY A 41 0.358 2.296 -10.940 1.00 0.00 N ATOM 621 CA GLY A 41 0.088 3.721 -10.906 1.00 0.00 C ATOM 622 C GLY A 41 1.357 4.535 -10.689 1.00 0.00 C ATOM 623 O GLY A 41 2.386 4.005 -10.274 1.00 0.00 O ATOM 0 H GLY A 41 1.331 2.048 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.382 4.024 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.623 3.937 -10.108 1.00 0.00 H new ATOM 627 N LYS A 42 1.277 5.835 -10.976 1.00 0.00 N ATOM 628 CA LYS A 42 2.386 6.755 -10.783 1.00 0.00 C ATOM 629 C LYS A 42 2.541 7.028 -9.291 1.00 0.00 C ATOM 630 O LYS A 42 1.673 7.647 -8.677 1.00 0.00 O ATOM 631 CB LYS A 42 2.100 8.031 -11.577 1.00 0.00 C ATOM 632 CG LYS A 42 3.083 9.145 -11.228 1.00 0.00 C ATOM 633 CD LYS A 42 2.795 10.369 -12.094 1.00 0.00 C ATOM 634 CE LYS A 42 3.572 11.557 -11.542 1.00 0.00 C ATOM 635 NZ LYS A 42 3.372 12.761 -12.369 1.00 0.00 N ATOM 0 H LYS A 42 0.436 6.276 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 42 3.324 6.334 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.157 7.816 -12.644 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.083 8.366 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.995 9.404 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.106 8.805 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.084 10.176 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.727 10.586 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.253 11.759 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.634 11.313 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.914 13.552 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.699 12.575 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.362 13.007 -12.386 1.00 0.00 H new ATOM 649 N ILE A 43 3.653 6.566 -8.714 1.00 0.00 N ATOM 650 CA ILE A 43 3.931 6.735 -7.299 1.00 0.00 C ATOM 651 C ILE A 43 4.508 8.125 -7.055 1.00 0.00 C ATOM 652 O ILE A 43 5.446 8.541 -7.734 1.00 0.00 O ATOM 653 CB ILE A 43 4.866 5.615 -6.816 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.147 4.269 -6.979 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.243 5.814 -5.345 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.024 3.087 -6.564 1.00 0.00 C ATOM 0 H ILE A 43 4.382 6.065 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 43 3.011 6.658 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 43 5.780 5.635 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.237 4.271 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.843 4.146 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.905 5.009 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.752 6.771 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.341 5.805 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.470 2.158 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.922 3.066 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.306 3.193 -5.517 1.00 0.00 H new ATOM 668 N VAL A 44 3.940 8.840 -6.080 1.00 0.00 N ATOM 669 CA VAL A 44 4.391 10.174 -5.698 1.00 0.00 C ATOM 670 C VAL A 44 5.080 10.139 -4.339 1.00 0.00 C ATOM 671 O VAL A 44 5.668 11.130 -3.914 1.00 0.00 O ATOM 672 CB VAL A 44 3.215 11.157 -5.707 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.615 11.242 -7.109 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.125 10.731 -4.721 1.00 0.00 C ATOM 0 H VAL A 44 3.148 8.504 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 44 5.122 10.520 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 44 3.596 12.132 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.780 11.943 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.375 11.587 -7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.261 10.257 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.306 11.449 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.753 9.744 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.539 10.696 -3.713 1.00 0.00 H new ATOM 684 N GLY A 45 5.008 8.991 -3.661 1.00 0.00 N ATOM 685 CA GLY A 45 5.655 8.786 -2.378 1.00 0.00 C ATOM 686 C GLY A 45 5.597 7.311 -1.999 1.00 0.00 C ATOM 687 O GLY A 45 4.652 6.612 -2.358 1.00 0.00 O ATOM 0 H GLY A 45 4.494 8.176 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.692 9.118 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.164 9.387 -1.613 1.00 0.00 H new ATOM 691 N CYS A 46 6.607 6.834 -1.274 1.00 0.00 N ATOM 692 CA CYS A 46 6.669 5.450 -0.848 1.00 0.00 C ATOM 693 C CYS A 46 7.486 5.334 0.434 1.00 0.00 C ATOM 694 O CYS A 46 8.372 6.148 0.694 1.00 0.00 O ATOM 695 CB CYS A 46 7.281 4.602 -1.965 1.00 0.00 C ATOM 696 SG CYS A 46 9.020 5.047 -2.201 1.00 0.00 S ATOM 0 H CYS A 46 7.400 7.399 -0.970 1.00 0.00 H new ATOM 0 HA CYS A 46 5.663 5.084 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.199 3.544 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.729 4.755 -2.892 1.00 0.00 H new ATOM 0 HG CYS A 46 9.748 3.970 -2.198 1.00 0.00 H new ATOM 702 N SER A 47 7.188 4.315 1.238 1.00 0.00 N ATOM 703 CA SER A 47 7.935 4.062 2.459 1.00 0.00 C ATOM 704 C SER A 47 7.823 2.595 2.846 1.00 0.00 C ATOM 705 O SER A 47 6.821 1.942 2.565 1.00 0.00 O ATOM 706 CB SER A 47 7.413 4.961 3.582 1.00 0.00 C ATOM 707 OG SER A 47 6.070 4.638 3.876 1.00 0.00 O ATOM 0 H SER A 47 6.433 3.653 1.062 1.00 0.00 H new ATOM 0 HA SER A 47 8.987 4.292 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.028 4.838 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.487 6.007 3.285 1.00 0.00 H new ATOM 0 HG SER A 47 5.533 5.457 3.893 1.00 0.00 H new ATOM 713 N VAL A 48 8.863 2.075 3.499 1.00 0.00 N ATOM 714 CA VAL A 48 8.869 0.718 4.022 1.00 0.00 C ATOM 715 C VAL A 48 9.214 0.761 5.504 1.00 0.00 C ATOM 716 O VAL A 48 9.991 1.605 5.948 1.00 0.00 O ATOM 717 CB VAL A 48 9.848 -0.160 3.232 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.940 -1.569 3.818 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.366 -0.273 1.789 1.00 0.00 C ATOM 0 H VAL A 48 9.726 2.589 3.678 1.00 0.00 H new ATOM 0 HA VAL A 48 7.881 0.272 3.908 1.00 0.00 H new ATOM 0 HB VAL A 48 10.832 0.306 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.643 -2.162 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.286 -1.512 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.957 -2.040 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.058 -0.896 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.374 -0.724 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.322 0.720 1.341 1.00 0.00 H new ATOM 729 N HIS A 49 8.625 -0.164 6.259 1.00 0.00 N ATOM 730 CA HIS A 49 8.763 -0.252 7.696 1.00 0.00 C ATOM 731 C HIS A 49 9.022 -1.708 8.066 1.00 0.00 C ATOM 732 O HIS A 49 9.331 -2.516 7.193 1.00 0.00 O ATOM 733 CB HIS A 49 7.478 0.283 8.336 1.00 0.00 C ATOM 734 CG HIS A 49 7.120 1.663 7.852 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.397 2.857 8.524 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.481 1.948 6.678 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.919 3.832 7.730 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.366 3.317 6.620 1.00 0.00 N ATOM 0 H HIS A 49 8.023 -0.890 5.869 1.00 0.00 H new ATOM 0 HA HIS A 49 9.599 0.344 8.061 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.656 -0.399 8.117 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.597 0.302 9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.135 1.238 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.973 4.887 7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.935 3.849 5.864 1.00 0.00 H new ATOM 746 N LYS A 50 8.900 -2.063 9.348 1.00 0.00 N ATOM 747 CA LYS A 50 9.055 -3.454 9.752 1.00 0.00 C ATOM 748 C LYS A 50 7.717 -4.176 9.650 1.00 0.00 C ATOM 749 O LYS A 50 6.764 -3.837 10.346 1.00 0.00 O ATOM 750 CB LYS A 50 9.623 -3.532 11.171 1.00 0.00 C ATOM 751 CG LYS A 50 11.007 -2.884 11.281 1.00 0.00 C ATOM 752 CD LYS A 50 12.038 -3.587 10.395 1.00 0.00 C ATOM 753 CE LYS A 50 13.411 -2.952 10.616 1.00 0.00 C ATOM 754 NZ LYS A 50 14.441 -3.610 9.791 1.00 0.00 N ATOM 0 H LYS A 50 8.698 -1.415 10.109 1.00 0.00 H new ATOM 0 HA LYS A 50 9.759 -3.948 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.938 -3.040 11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.688 -4.576 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.940 -1.834 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.340 -2.913 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.074 -4.650 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.751 -3.504 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.368 -1.891 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.683 -3.025 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.362 -3.159 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.497 -4.617 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.191 -3.519 8.786 1.00 0.00 H new ATOM 768 N GLY A 51 7.658 -5.176 8.769 1.00 0.00 N ATOM 769 CA GLY A 51 6.473 -5.997 8.567 1.00 0.00 C ATOM 770 C GLY A 51 5.424 -5.353 7.657 1.00 0.00 C ATOM 771 O GLY A 51 4.454 -6.017 7.300 1.00 0.00 O ATOM 0 H GLY A 51 8.442 -5.438 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.774 -6.954 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.020 -6.209 9.535 1.00 0.00 H new ATOM 775 N PHE A 52 5.591 -4.083 7.270 1.00 0.00 N ATOM 776 CA PHE A 52 4.644 -3.421 6.378 1.00 0.00 C ATOM 777 C PHE A 52 5.312 -2.311 5.568 1.00 0.00 C ATOM 778 O PHE A 52 6.467 -1.964 5.809 1.00 0.00 O ATOM 779 CB PHE A 52 3.473 -2.840 7.172 1.00 0.00 C ATOM 780 CG PHE A 52 3.856 -1.731 8.130 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.365 -2.039 9.400 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.707 -0.392 7.743 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.728 -1.009 10.277 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.066 0.637 8.623 1.00 0.00 C ATOM 785 CZ PHE A 52 4.581 0.330 9.889 1.00 0.00 C ATOM 0 H PHE A 52 6.373 -3.497 7.562 1.00 0.00 H new ATOM 0 HA PHE A 52 4.274 -4.176 5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.729 -2.459 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.998 -3.643 7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.477 -3.070 9.702 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.315 -0.153 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.122 -1.247 11.254 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.946 1.668 8.325 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.864 1.123 10.565 1.00 0.00 H new ATOM 795 N ALA A 53 4.572 -1.760 4.608 1.00 0.00 N ATOM 796 CA ALA A 53 5.014 -0.658 3.770 1.00 0.00 C ATOM 797 C ALA A 53 3.814 0.186 3.329 1.00 0.00 C ATOM 798 O ALA A 53 2.666 -0.184 3.572 1.00 0.00 O ATOM 799 CB ALA A 53 5.754 -1.225 2.560 1.00 0.00 C ATOM 0 H ALA A 53 3.628 -2.078 4.390 1.00 0.00 H new ATOM 0 HA ALA A 53 5.688 -0.012 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.091 -0.407 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.616 -1.801 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.084 -1.873 1.995 1.00 0.00 H new ATOM 805 N PHE A 54 4.085 1.320 2.681 1.00 0.00 N ATOM 806 CA PHE A 54 3.066 2.224 2.173 1.00 0.00 C ATOM 807 C PHE A 54 3.463 2.770 0.804 1.00 0.00 C ATOM 808 O PHE A 54 4.643 2.961 0.519 1.00 0.00 O ATOM 809 CB PHE A 54 2.855 3.370 3.165 1.00 0.00 C ATOM 810 CG PHE A 54 1.813 3.083 4.220 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.458 3.086 3.863 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.187 2.822 5.547 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.525 2.836 4.827 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.203 2.565 6.511 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.151 2.575 6.152 1.00 0.00 C ATOM 0 H PHE A 54 5.036 1.636 2.494 1.00 0.00 H new ATOM 0 HA PHE A 54 2.132 1.674 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.803 3.592 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.564 4.265 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.171 3.282 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.231 2.819 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.569 2.844 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.489 2.359 7.532 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.908 2.381 6.898 1.00 0.00 H new ATOM 825 N VAL A 55 2.458 3.021 -0.039 1.00 0.00 N ATOM 826 CA VAL A 55 2.641 3.592 -1.366 1.00 0.00 C ATOM 827 C VAL A 55 1.604 4.675 -1.595 1.00 0.00 C ATOM 828 O VAL A 55 0.442 4.510 -1.235 1.00 0.00 O ATOM 829 CB VAL A 55 2.522 2.507 -2.439 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.608 3.115 -3.837 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.669 1.513 -2.291 1.00 0.00 C ATOM 0 H VAL A 55 1.483 2.829 0.189 1.00 0.00 H new ATOM 0 HA VAL A 55 3.638 4.027 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 55 1.559 2.012 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.521 2.325 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.799 3.833 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.566 3.622 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.583 0.741 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.619 2.034 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.626 1.052 -1.304 1.00 0.00 H new ATOM 841 N GLN A 56 2.028 5.782 -2.195 1.00 0.00 N ATOM 842 CA GLN A 56 1.174 6.929 -2.440 1.00 0.00 C ATOM 843 C GLN A 56 1.065 7.167 -3.942 1.00 0.00 C ATOM 844 O GLN A 56 2.081 7.228 -4.630 1.00 0.00 O ATOM 845 CB GLN A 56 1.787 8.134 -1.717 1.00 0.00 C ATOM 846 CG GLN A 56 0.883 9.362 -1.742 1.00 0.00 C ATOM 847 CD GLN A 56 -0.308 9.187 -0.818 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.158 9.030 0.390 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.510 9.214 -1.382 1.00 0.00 N ATOM 0 H GLN A 56 2.985 5.905 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 56 0.166 6.762 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.995 7.863 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.742 8.382 -2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.452 10.242 -1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.534 9.539 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.598 9.347 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.345 9.102 -0.808 1.00 0.00 H new ATOM 858 N TYR A 57 -0.163 7.303 -4.445 1.00 0.00 N ATOM 859 CA TYR A 57 -0.430 7.534 -5.857 1.00 0.00 C ATOM 860 C TYR A 57 -1.002 8.929 -6.085 1.00 0.00 C ATOM 861 O TYR A 57 -1.252 9.671 -5.134 1.00 0.00 O ATOM 862 CB TYR A 57 -1.409 6.480 -6.380 1.00 0.00 C ATOM 863 CG TYR A 57 -0.844 5.081 -6.439 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.304 4.833 -7.206 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.464 4.031 -5.744 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.840 3.543 -7.277 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.924 2.739 -5.804 1.00 0.00 C ATOM 868 CZ TYR A 57 0.226 2.491 -6.579 1.00 0.00 C ATOM 869 OH TYR A 57 0.740 1.237 -6.653 1.00 0.00 O ATOM 0 H TYR A 57 -1.006 7.255 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 57 0.512 7.457 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.294 6.475 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.737 6.769 -7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.776 5.642 -7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.356 4.218 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.725 3.357 -7.868 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.390 1.933 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 57 1.451 1.214 -7.327 1.00 0.00 H new ATOM 879 N VAL A 58 -1.212 9.284 -7.357 1.00 0.00 N ATOM 880 CA VAL A 58 -1.783 10.574 -7.722 1.00 0.00 C ATOM 881 C VAL A 58 -3.271 10.611 -7.377 1.00 0.00 C ATOM 882 O VAL A 58 -3.795 11.675 -7.055 1.00 0.00 O ATOM 883 CB VAL A 58 -1.562 10.814 -9.218 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.304 12.062 -9.694 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.075 10.992 -9.508 1.00 0.00 C ATOM 0 H VAL A 58 -0.991 8.686 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.291 11.367 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.948 9.945 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.128 12.206 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.372 11.940 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.942 12.932 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.070 11.162 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.305 11.847 -8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.464 10.094 -9.207 1.00 0.00 H new ATOM 895 N ASN A 59 -3.954 9.461 -7.442 1.00 0.00 N ATOM 896 CA ASN A 59 -5.366 9.407 -7.103 1.00 0.00 C ATOM 897 C ASN A 59 -5.798 8.010 -6.660 1.00 0.00 C ATOM 898 O ASN A 59 -5.055 7.041 -6.813 1.00 0.00 O ATOM 899 CB ASN A 59 -6.214 9.914 -8.271 1.00 0.00 C ATOM 900 CG ASN A 59 -6.614 8.823 -9.245 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.798 8.550 -9.397 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.647 8.194 -9.905 1.00 0.00 N ATOM 0 H ASN A 59 -3.549 8.568 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.529 10.066 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.114 10.387 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.658 10.683 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.879 7.454 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.672 8.452 -9.750 1.00 0.00 H new ATOM 909 N GLU A 60 -7.011 7.918 -6.109 1.00 0.00 N ATOM 910 CA GLU A 60 -7.574 6.677 -5.594 1.00 0.00 C ATOM 911 C GLU A 60 -7.668 5.592 -6.668 1.00 0.00 C ATOM 912 O GLU A 60 -7.555 4.413 -6.345 1.00 0.00 O ATOM 913 CB GLU A 60 -8.952 6.996 -5.007 1.00 0.00 C ATOM 914 CG GLU A 60 -9.633 5.744 -4.443 1.00 0.00 C ATOM 915 CD GLU A 60 -10.996 6.052 -3.823 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.305 7.250 -3.634 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.728 5.077 -3.539 1.00 0.00 O ATOM 0 H GLU A 60 -7.635 8.718 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.916 6.275 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.848 7.740 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.583 7.437 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.757 5.011 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.988 5.291 -3.690 1.00 0.00 H new ATOM 924 N ARG A 61 -7.866 5.953 -7.941 1.00 0.00 N ATOM 925 CA ARG A 61 -7.954 4.954 -9.000 1.00 0.00 C ATOM 926 C ARG A 61 -6.674 4.136 -9.053 1.00 0.00 C ATOM 927 O ARG A 61 -6.716 2.924 -9.264 1.00 0.00 O ATOM 928 CB ARG A 61 -8.215 5.661 -10.334 1.00 0.00 C ATOM 929 CG ARG A 61 -8.025 4.756 -11.552 1.00 0.00 C ATOM 930 CD ARG A 61 -8.862 3.483 -11.451 1.00 0.00 C ATOM 931 NE ARG A 61 -8.764 2.694 -12.683 1.00 0.00 N ATOM 932 CZ ARG A 61 -8.865 1.363 -12.739 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.072 0.650 -11.635 1.00 0.00 N ATOM 934 NH2 ARG A 61 -8.762 0.738 -13.905 1.00 0.00 N ATOM 0 H ARG A 61 -7.967 6.918 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.778 4.270 -8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.233 6.051 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.546 6.517 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.300 5.301 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.972 4.492 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.523 2.886 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.904 3.742 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.608 3.196 -13.557 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.155 1.119 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.147 -0.366 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.606 1.274 -14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.839 -0.278 -13.948 1.00 0.00 H new ATOM 948 N ASN A 62 -5.529 4.784 -8.865 1.00 0.00 N ATOM 949 CA ASN A 62 -4.262 4.085 -8.910 1.00 0.00 C ATOM 950 C ASN A 62 -4.089 3.190 -7.683 1.00 0.00 C ATOM 951 O ASN A 62 -3.363 2.199 -7.740 1.00 0.00 O ATOM 952 CB ASN A 62 -3.143 5.118 -9.011 1.00 0.00 C ATOM 953 CG ASN A 62 -3.067 5.711 -10.408 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.145 6.923 -10.579 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.916 4.855 -11.412 1.00 0.00 N ATOM 0 H ASN A 62 -5.458 5.785 -8.682 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.229 3.432 -9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.312 5.913 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.190 4.652 -8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.860 5.198 -12.371 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.856 3.854 -11.224 1.00 0.00 H new ATOM 962 N ALA A 63 -4.749 3.531 -6.576 1.00 0.00 N ATOM 963 CA ALA A 63 -4.695 2.728 -5.369 1.00 0.00 C ATOM 964 C ALA A 63 -5.542 1.470 -5.528 1.00 0.00 C ATOM 965 O ALA A 63 -5.164 0.401 -5.056 1.00 0.00 O ATOM 966 CB ALA A 63 -5.171 3.564 -4.180 1.00 0.00 C ATOM 0 H ALA A 63 -5.330 4.366 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.667 2.415 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.131 2.962 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.526 4.435 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.196 3.892 -4.353 1.00 0.00 H new ATOM 972 N ARG A 64 -6.694 1.591 -6.196 1.00 0.00 N ATOM 973 CA ARG A 64 -7.577 0.452 -6.426 1.00 0.00 C ATOM 974 C ARG A 64 -6.939 -0.539 -7.393 1.00 0.00 C ATOM 975 O ARG A 64 -7.253 -1.727 -7.349 1.00 0.00 O ATOM 976 CB ARG A 64 -8.921 0.928 -6.996 1.00 0.00 C ATOM 977 CG ARG A 64 -9.679 1.869 -6.058 1.00 0.00 C ATOM 978 CD ARG A 64 -10.087 1.195 -4.749 1.00 0.00 C ATOM 979 NE ARG A 64 -10.844 2.136 -3.918 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.468 1.817 -2.781 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.441 0.578 -2.297 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.129 2.759 -2.115 1.00 0.00 N ATOM 0 H ARG A 64 -7.034 2.470 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.744 -0.044 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.746 1.436 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.545 0.060 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.055 2.735 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.570 2.239 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.692 0.312 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.201 0.855 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.898 3.105 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.936 -0.154 -2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.926 0.360 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.156 3.714 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.609 2.527 -1.246 1.00 0.00 H new ATOM 996 N ALA A 65 -6.043 -0.063 -8.263 1.00 0.00 N ATOM 997 CA ALA A 65 -5.383 -0.924 -9.233 1.00 0.00 C ATOM 998 C ALA A 65 -4.227 -1.689 -8.591 1.00 0.00 C ATOM 999 O ALA A 65 -3.944 -2.817 -8.982 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.901 -0.059 -10.400 1.00 0.00 C ATOM 0 H ALA A 65 -5.762 0.916 -8.311 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.086 -1.670 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.403 -0.688 -11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.755 0.437 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.201 0.691 -10.032 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.558 -1.083 -7.604 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.459 -1.739 -6.920 1.00 0.00 C ATOM 1008 C ALA A 66 -2.973 -2.688 -5.838 1.00 0.00 C ATOM 1009 O ALA A 66 -2.381 -3.741 -5.604 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.553 -0.664 -6.340 1.00 0.00 C ATOM 0 H ALA A 66 -3.764 -0.142 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.893 -2.351 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.718 -1.134 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.172 -0.036 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.119 -0.051 -5.638 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.073 -2.327 -5.172 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.708 -3.194 -4.185 1.00 0.00 C ATOM 1018 C VAL A 67 -5.250 -4.450 -4.864 1.00 0.00 C ATOM 1019 O VAL A 67 -5.242 -5.522 -4.268 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.841 -2.428 -3.496 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.732 -3.361 -2.678 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.254 -1.381 -2.552 1.00 0.00 C ATOM 0 H VAL A 67 -4.543 -1.431 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.974 -3.497 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.440 -1.957 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.525 -2.783 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.173 -4.111 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.135 -3.855 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.063 -0.838 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.641 -1.874 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.639 -0.683 -3.120 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.724 -4.330 -6.105 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.233 -5.478 -6.843 1.00 0.00 C ATOM 1034 C ALA A 68 -5.144 -6.154 -7.673 1.00 0.00 C ATOM 1035 O ALA A 68 -5.359 -7.247 -8.195 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.394 -5.023 -7.727 1.00 0.00 C ATOM 0 H ALA A 68 -5.764 -3.448 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.584 -6.224 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.783 -5.875 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.185 -4.606 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.044 -4.263 -8.425 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.975 -5.518 -7.800 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.882 -6.051 -8.603 1.00 0.00 C ATOM 1044 C GLY A 69 -1.777 -6.716 -7.781 1.00 0.00 C ATOM 1045 O GLY A 69 -0.943 -7.417 -8.351 1.00 0.00 O ATOM 0 H GLY A 69 -3.766 -4.626 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.284 -6.778 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.448 -5.242 -9.191 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.748 -6.512 -6.459 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.652 -6.997 -5.618 1.00 0.00 C ATOM 1051 C GLU A 70 -1.151 -7.702 -4.357 1.00 0.00 C ATOM 1052 O GLU A 70 -0.408 -8.476 -3.763 1.00 0.00 O ATOM 1053 CB GLU A 70 0.238 -5.815 -5.229 1.00 0.00 C ATOM 1054 CG GLU A 70 1.059 -5.301 -6.414 1.00 0.00 C ATOM 1055 CD GLU A 70 2.195 -6.262 -6.758 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.085 -6.429 -5.894 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.178 -6.829 -7.873 1.00 0.00 O ATOM 0 H GLU A 70 -2.476 -6.012 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.089 -7.731 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.382 -5.007 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.910 -6.116 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.411 -5.175 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.469 -4.319 -6.177 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.389 -7.461 -3.924 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.899 -8.137 -2.742 1.00 0.00 C ATOM 1066 C ASP A 71 -2.929 -9.647 -2.970 1.00 0.00 C ATOM 1067 O ASP A 71 -3.631 -10.132 -3.860 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.299 -7.616 -2.420 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.886 -8.331 -1.210 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.139 -8.504 -0.222 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.080 -8.706 -1.277 1.00 0.00 O ATOM 0 H ASP A 71 -3.042 -6.815 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.241 -7.932 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.256 -6.544 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.951 -7.759 -3.282 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.166 -10.394 -2.169 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.120 -11.843 -2.284 1.00 0.00 C ATOM 1078 C GLY A 72 -1.067 -12.276 -3.295 1.00 0.00 C ATOM 1079 O GLY A 72 -1.007 -13.449 -3.657 1.00 0.00 O ATOM 0 H GLY A 72 -1.572 -10.012 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.898 -12.282 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.097 -12.219 -2.588 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.236 -11.334 -3.749 1.00 0.00 N ATOM 1084 CA ARG A 73 0.915 -11.656 -4.576 1.00 0.00 C ATOM 1085 C ARG A 73 1.960 -12.250 -3.641 1.00 0.00 C ATOM 1086 O ARG A 73 1.799 -12.193 -2.421 1.00 0.00 O ATOM 1087 CB ARG A 73 1.406 -10.407 -5.310 1.00 0.00 C ATOM 1088 CG ARG A 73 2.190 -9.481 -4.379 1.00 0.00 C ATOM 1089 CD ARG A 73 3.683 -9.591 -4.654 1.00 0.00 C ATOM 1090 NE ARG A 73 3.987 -9.013 -5.965 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.848 -9.498 -6.861 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.553 -10.602 -6.630 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.005 -8.859 -8.017 1.00 0.00 N ATOM 0 H ARG A 73 -0.346 -10.339 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 73 0.676 -12.377 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.037 -10.701 -6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.554 -9.870 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.863 -8.451 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.985 -9.741 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.245 -9.072 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.992 -10.636 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 73 3.493 -8.157 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.443 -11.102 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.204 -10.948 -7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.471 -8.011 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.659 -9.217 -8.713 1.00 0.00 H new ATOM 1107 N MET A 74 3.030 -12.817 -4.185 1.00 0.00 N ATOM 1108 CA MET A 74 4.032 -13.460 -3.360 1.00 0.00 C ATOM 1109 C MET A 74 5.339 -12.702 -3.484 1.00 0.00 C ATOM 1110 O MET A 74 5.883 -12.563 -4.577 1.00 0.00 O ATOM 1111 CB MET A 74 4.156 -14.927 -3.766 1.00 0.00 C ATOM 1112 CG MET A 74 5.034 -15.677 -2.768 1.00 0.00 C ATOM 1113 SD MET A 74 4.780 -17.469 -2.784 1.00 0.00 S ATOM 1114 CE MET A 74 3.120 -17.515 -2.048 1.00 0.00 C ATOM 0 H MET A 74 3.221 -12.842 -5.187 1.00 0.00 H new ATOM 0 HA MET A 74 3.744 -13.441 -2.309 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.168 -15.385 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.584 -15.000 -4.766 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.081 -15.465 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.834 -15.299 -1.765 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.842 -18.549 -1.842 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.118 -16.946 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.402 -17.078 -2.742 1.00 0.00 H new ATOM 1124 N ILE A 75 5.835 -12.204 -2.351 1.00 0.00 N ATOM 1125 CA ILE A 75 7.085 -11.465 -2.311 1.00 0.00 C ATOM 1126 C ILE A 75 7.999 -12.067 -1.252 1.00 0.00 C ATOM 1127 O ILE A 75 7.559 -12.373 -0.145 1.00 0.00 O ATOM 1128 CB ILE A 75 6.783 -9.974 -2.110 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.052 -9.266 -3.442 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.602 -9.368 -0.970 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.714 -7.774 -3.410 1.00 0.00 C ATOM 0 H ILE A 75 5.380 -12.304 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 75 7.625 -11.545 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 75 5.741 -9.844 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.103 -9.388 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.468 -9.748 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.354 -8.312 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.372 -9.888 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.664 -9.471 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.927 -7.332 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.657 -7.645 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.317 -7.281 -2.648 1.00 0.00 H new ATOM 1143 N ALA A 76 9.276 -12.234 -1.601 1.00 0.00 N ATOM 1144 CA ALA A 76 10.252 -12.902 -0.754 1.00 0.00 C ATOM 1145 C ALA A 76 9.795 -14.307 -0.335 1.00 0.00 C ATOM 1146 O ALA A 76 10.330 -14.870 0.622 1.00 0.00 O ATOM 1147 CB ALA A 76 10.590 -12.021 0.441 1.00 0.00 C ATOM 0 H ALA A 76 9.660 -11.905 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 76 11.163 -13.052 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.321 -12.527 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.005 -11.076 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.686 -11.828 1.018 1.00 0.00 H new ATOM 1153 N GLY A 77 8.810 -14.868 -1.042 1.00 0.00 N ATOM 1154 CA GLY A 77 8.276 -16.184 -0.747 1.00 0.00 C ATOM 1155 C GLY A 77 7.112 -16.123 0.239 1.00 0.00 C ATOM 1156 O GLY A 77 6.608 -17.165 0.649 1.00 0.00 O ATOM 0 H GLY A 77 8.364 -14.412 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.943 -16.655 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.066 -16.812 -0.336 1.00 0.00 H new ATOM 1160 N GLN A 78 6.683 -14.917 0.622 1.00 0.00 N ATOM 1161 CA GLN A 78 5.592 -14.726 1.556 1.00 0.00 C ATOM 1162 C GLN A 78 4.511 -13.832 0.937 1.00 0.00 C ATOM 1163 O GLN A 78 4.808 -12.774 0.381 1.00 0.00 O ATOM 1164 CB GLN A 78 6.193 -14.159 2.843 1.00 0.00 C ATOM 1165 CG GLN A 78 5.143 -13.712 3.863 1.00 0.00 C ATOM 1166 CD GLN A 78 5.301 -12.225 4.135 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.517 -11.808 5.270 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.199 -11.413 3.089 1.00 0.00 N ATOM 0 H GLN A 78 7.092 -14.046 0.285 1.00 0.00 H new ATOM 0 HA GLN A 78 5.089 -15.664 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.833 -14.915 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.830 -13.310 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.142 -13.919 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.257 -14.276 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.019 -11.797 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.301 -10.406 3.213 1.00 0.00 H new ATOM 1177 N VAL A 79 3.250 -14.266 1.038 1.00 0.00 N ATOM 1178 CA VAL A 79 2.092 -13.568 0.489 1.00 0.00 C ATOM 1179 C VAL A 79 1.915 -12.219 1.172 1.00 0.00 C ATOM 1180 O VAL A 79 2.111 -12.110 2.380 1.00 0.00 O ATOM 1181 CB VAL A 79 0.845 -14.431 0.700 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.383 -13.768 0.080 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.018 -15.800 0.054 1.00 0.00 C ATOM 0 H VAL A 79 3.005 -15.133 1.516 1.00 0.00 H new ATOM 0 HA VAL A 79 2.244 -13.396 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 79 0.707 -14.541 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.257 -14.398 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.545 -12.796 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.224 -13.636 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.120 -16.395 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.184 -15.679 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.875 -16.307 0.499 1.00 0.00 H new ATOM 1193 N LEU A 80 1.545 -11.193 0.399 1.00 0.00 N ATOM 1194 CA LEU A 80 1.290 -9.865 0.944 1.00 0.00 C ATOM 1195 C LEU A 80 -0.192 -9.662 1.241 1.00 0.00 C ATOM 1196 O LEU A 80 -1.049 -10.324 0.657 1.00 0.00 O ATOM 1197 CB LEU A 80 1.785 -8.779 -0.022 1.00 0.00 C ATOM 1198 CG LEU A 80 3.258 -8.938 -0.399 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.696 -7.693 -1.161 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.132 -9.091 0.841 1.00 0.00 C ATOM 0 H LEU A 80 1.416 -11.262 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 80 1.840 -9.783 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.180 -8.804 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.636 -7.800 0.434 1.00 0.00 H new ATOM 0 HG LEU A 80 3.370 -9.834 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.746 -7.787 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.090 -7.585 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.566 -6.815 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.174 -9.202 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.028 -8.207 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.820 -9.973 1.400 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.489 -8.737 2.154 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.850 -8.366 2.496 1.00 0.00 C ATOM 1214 C ASP A 81 -2.009 -6.868 2.259 1.00 0.00 C ATOM 1215 O ASP A 81 -1.633 -6.051 3.095 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.145 -8.765 3.942 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.621 -8.560 4.275 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.456 -9.105 3.521 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.902 -7.864 5.275 1.00 0.00 O ATOM 0 H ASP A 81 0.219 -8.223 2.678 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.572 -8.891 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.875 -9.810 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.530 -8.173 4.619 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.573 -6.508 1.102 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.605 -5.132 0.632 1.00 0.00 C ATOM 1226 C ILE A 82 -4.041 -4.623 0.562 1.00 0.00 C ATOM 1227 O ILE A 82 -4.941 -5.356 0.154 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.891 -5.069 -0.719 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.412 -5.403 -0.488 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.020 -3.684 -1.357 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.269 -5.837 -1.776 1.00 0.00 C ATOM 0 H ILE A 82 -3.020 -7.170 0.468 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.084 -4.475 1.329 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.349 -5.784 -1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.100 -4.531 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.329 -6.197 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.501 -3.675 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.074 -3.452 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.577 -2.937 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.316 -6.066 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.227 -6.724 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.208 -5.033 -2.509 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.261 -3.364 0.960 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.583 -2.763 0.950 1.00 0.00 C ATOM 1245 C ASN A 83 -5.507 -1.238 0.914 1.00 0.00 C ATOM 1246 O ASN A 83 -4.459 -0.649 1.167 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.361 -3.227 2.184 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.666 -2.841 3.485 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -4.983 -3.659 4.093 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.836 -1.596 3.919 1.00 0.00 N ATOM 0 H ASN A 83 -3.525 -2.742 1.295 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.100 -3.085 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.360 -2.792 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.484 -4.309 2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.391 -1.293 4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.411 -0.944 3.386 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.639 -0.605 0.601 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.792 0.839 0.609 1.00 0.00 C ATOM 1259 C LEU A 84 -6.552 1.352 2.033 1.00 0.00 C ATOM 1260 O LEU A 84 -7.132 0.817 2.974 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.218 1.116 0.115 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.472 2.484 -0.521 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.315 3.634 0.468 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.555 2.709 -1.718 1.00 0.00 C ATOM 0 H LEU A 84 -7.489 -1.099 0.330 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.078 1.352 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.481 0.348 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.898 1.002 0.959 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.510 2.475 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.507 4.579 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.025 3.510 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.300 3.636 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.756 3.689 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.515 2.662 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.737 1.937 -2.466 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.709 2.376 2.189 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.297 2.893 3.491 1.00 0.00 C ATOM 1278 C ALA A 85 -6.433 3.523 4.303 1.00 0.00 C ATOM 1279 O ALA A 85 -6.191 3.991 5.417 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.171 3.905 3.287 1.00 0.00 C ATOM 0 H ALA A 85 -5.290 2.874 1.403 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.957 2.040 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.855 4.298 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.327 3.417 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.526 4.724 2.661 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.660 3.548 3.777 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.805 4.096 4.487 1.00 0.00 C ATOM 1288 C ALA A 86 -9.998 3.142 4.452 1.00 0.00 C ATOM 1289 O ALA A 86 -11.048 3.441 5.017 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.164 5.451 3.881 1.00 0.00 C ATOM 0 H ALA A 86 -7.881 3.188 2.849 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.541 4.228 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.022 5.869 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.315 6.128 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.412 5.324 2.827 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.840 1.993 3.789 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.865 0.965 3.704 1.00 0.00 C ATOM 1298 C GLU A 87 -10.190 -0.408 3.767 1.00 0.00 C ATOM 1299 O GLU A 87 -10.174 -1.137 2.774 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.688 1.120 2.420 1.00 0.00 C ATOM 1301 CG GLU A 87 -12.480 2.433 2.425 1.00 0.00 C ATOM 1302 CD GLU A 87 -13.454 2.499 1.251 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -13.182 1.843 0.220 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -14.473 3.212 1.387 1.00 0.00 O ATOM 0 H GLU A 87 -8.982 1.753 3.291 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.556 1.066 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.025 1.095 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.374 0.279 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.030 2.525 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.791 3.276 2.376 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.628 -0.768 4.929 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.984 -2.053 5.128 1.00 0.00 C ATOM 1313 C PRO A 88 -10.007 -3.159 4.892 1.00 0.00 C ATOM 1314 O PRO A 88 -11.170 -3.020 5.272 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.422 -2.014 6.553 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.273 -0.952 7.255 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.595 0.030 6.136 1.00 0.00 C ATOM 0 HA PRO A 88 -8.169 -2.255 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.509 -2.984 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.365 -1.747 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.177 -1.381 7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.728 -0.472 8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.552 0.523 6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.840 0.813 6.070 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.562 -4.254 4.265 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.441 -5.316 3.782 1.00 0.00 C ATOM 1327 C LYS A 89 -11.411 -5.815 4.851 1.00 0.00 C ATOM 1328 O LYS A 89 -12.610 -5.571 4.748 1.00 0.00 O ATOM 1329 CB LYS A 89 -9.614 -6.466 3.190 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.325 -6.746 3.970 1.00 0.00 C ATOM 1331 CD LYS A 89 -7.626 -8.002 3.455 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.158 -7.819 2.010 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.393 -8.993 1.554 1.00 0.00 N ATOM 0 H LYS A 89 -8.574 -4.426 4.079 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.060 -4.889 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.223 -7.370 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.361 -6.229 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.653 -5.892 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.556 -6.864 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.771 -8.233 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.307 -8.851 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.020 -7.667 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.540 -6.925 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.448 -9.062 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.399 -8.893 1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.792 -9.854 1.980 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.900 -6.506 5.873 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.714 -7.017 6.968 1.00 0.00 C ATOM 1349 C VAL A 90 -10.898 -7.060 8.254 1.00 0.00 C ATOM 1350 O VAL A 90 -11.421 -6.772 9.328 1.00 0.00 O ATOM 1351 CB VAL A 90 -12.199 -8.440 6.650 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -13.019 -8.972 7.826 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -13.070 -8.492 5.396 1.00 0.00 C ATOM 0 H VAL A 90 -9.908 -6.725 5.961 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.570 -6.354 7.094 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.313 -9.050 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.364 -9.981 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.399 -8.991 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.879 -8.323 7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.387 -9.519 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.948 -7.861 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.498 -8.133 4.541 1.00 0.00 H new ATOM 1363 N ASN A 91 -9.614 -7.418 8.145 1.00 0.00 N ATOM 1364 CA ASN A 91 -8.751 -7.593 9.299 1.00 0.00 C ATOM 1365 C ASN A 91 -7.404 -6.899 9.104 1.00 0.00 C ATOM 1366 O ASN A 91 -7.039 -6.504 7.998 1.00 0.00 O ATOM 1367 CB ASN A 91 -8.532 -9.086 9.561 1.00 0.00 C ATOM 1368 CG ASN A 91 -9.828 -9.811 9.890 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -10.360 -9.682 10.990 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -10.342 -10.580 8.935 1.00 0.00 N ATOM 0 H ASN A 91 -9.152 -7.592 7.252 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.243 -7.136 10.158 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.075 -9.543 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.830 -9.209 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.209 -11.090 9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.869 -10.660 8.035 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.672 -6.762 10.212 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.299 -6.284 10.271 1.00 0.00 C ATOM 1379 C ARG A 92 -4.601 -7.172 11.296 1.00 0.00 C ATOM 1380 O ARG A 92 -4.663 -6.910 12.494 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.294 -4.817 10.697 1.00 0.00 C ATOM 1382 CG ARG A 92 -3.874 -4.342 11.006 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.958 -2.872 11.392 1.00 0.00 C ATOM 1384 NE ARG A 92 -2.779 -2.422 12.137 1.00 0.00 N ATOM 1385 CZ ARG A 92 -2.805 -1.445 13.051 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -3.933 -0.796 13.329 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -1.691 -1.112 13.692 1.00 0.00 N ATOM 0 H ARG A 92 -7.043 -6.994 11.133 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.789 -6.336 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.723 -4.203 9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.924 -4.688 11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.442 -4.928 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.228 -4.474 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.067 -2.268 10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.850 -2.708 11.996 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.887 -2.880 11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.795 -1.041 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.935 -0.054 14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.819 -1.600 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.707 -0.368 14.389 1.00 0.00 H new ATOM 1401 N GLY A 93 -3.940 -8.225 10.822 1.00 0.00 N ATOM 1402 CA GLY A 93 -3.303 -9.195 11.690 1.00 0.00 C ATOM 1403 C GLY A 93 -1.860 -8.820 11.995 1.00 0.00 C ATOM 1404 O GLY A 93 -1.508 -7.644 12.009 1.00 0.00 O ATOM 0 H GLY A 93 -3.835 -8.424 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.863 -9.272 12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.331 -10.178 11.219 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.029 -9.838 12.236 1.00 0.00 N ATOM 1409 CA LYS A 94 0.380 -9.651 12.543 1.00 0.00 C ATOM 1410 C LYS A 94 1.267 -10.625 11.764 1.00 0.00 C ATOM 1411 O LYS A 94 2.481 -10.439 11.706 1.00 0.00 O ATOM 1412 CB LYS A 94 0.546 -9.828 14.045 1.00 0.00 C ATOM 1413 CG LYS A 94 1.925 -9.342 14.473 1.00 0.00 C ATOM 1414 CD LYS A 94 1.994 -9.295 15.996 1.00 0.00 C ATOM 1415 CE LYS A 94 3.383 -8.851 16.460 1.00 0.00 C ATOM 1416 NZ LYS A 94 3.680 -7.467 16.040 1.00 0.00 N ATOM 0 H LYS A 94 -1.321 -10.815 12.222 1.00 0.00 H new ATOM 0 HA LYS A 94 0.697 -8.653 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.227 -9.270 14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.421 -10.877 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.695 -10.008 14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.119 -8.353 14.058 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.240 -8.607 16.378 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.765 -10.279 16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.445 -8.923 17.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.136 -9.525 16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.529 -7.128 16.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.846 -7.444 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.874 -6.853 16.274 1.00 0.00 H new ATOM 1430 N ALA A 95 0.668 -11.658 11.167 1.00 0.00 N ATOM 1431 CA ALA A 95 1.401 -12.680 10.439 1.00 0.00 C ATOM 1432 C ALA A 95 0.530 -13.279 9.330 1.00 0.00 C ATOM 1433 O ALA A 95 -0.684 -13.084 9.316 1.00 0.00 O ATOM 1434 CB ALA A 95 1.834 -13.757 11.434 1.00 0.00 C ATOM 0 H ALA A 95 -0.341 -11.804 11.179 1.00 0.00 H new ATOM 0 HA ALA A 95 2.279 -12.244 9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.387 -14.536 10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.471 -13.312 12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.953 -14.192 11.905 1.00 0.00 H new ATOM 1440 N GLY A 96 1.158 -14.012 8.408 1.00 0.00 N ATOM 1441 CA GLY A 96 0.462 -14.658 7.305 1.00 0.00 C ATOM 1442 C GLY A 96 -0.290 -15.910 7.752 1.00 0.00 C ATOM 1443 O GLY A 96 -1.136 -16.410 7.013 1.00 0.00 O ATOM 0 H GLY A 96 2.165 -14.172 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.241 -13.954 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.181 -14.925 6.530 1.00 0.00 H new ATOM 1447 N VAL A 97 0.008 -16.420 8.952 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.690 -17.577 9.495 1.00 0.00 C ATOM 1449 C VAL A 97 -1.909 -17.104 10.278 1.00 0.00 C ATOM 1450 O VAL A 97 -1.812 -16.204 11.111 1.00 0.00 O ATOM 1451 CB VAL A 97 0.262 -18.450 10.318 1.00 0.00 C ATOM 1452 CG1 VAL A 97 0.848 -17.704 11.518 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -0.464 -19.701 10.812 1.00 0.00 C ATOM 0 H VAL A 97 0.732 -16.043 9.564 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.049 -18.214 8.687 1.00 0.00 H new ATOM 0 HB VAL A 97 1.086 -18.726 9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.516 -18.367 12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.406 -16.835 11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.040 -17.378 12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.223 -20.314 11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.309 -19.409 11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.824 -20.274 9.958 1.00 0.00 H new ATOM 1463 N LYS A 98 -3.065 -17.717 10.008 1.00 0.00 N ATOM 1464 CA LYS A 98 -4.337 -17.314 10.595 1.00 0.00 C ATOM 1465 C LYS A 98 -5.105 -18.519 11.133 1.00 0.00 C ATOM 1466 O LYS A 98 -6.316 -18.449 11.340 1.00 0.00 O ATOM 1467 CB LYS A 98 -5.137 -16.550 9.538 1.00 0.00 C ATOM 1468 CG LYS A 98 -4.352 -15.321 9.067 1.00 0.00 C ATOM 1469 CD LYS A 98 -4.968 -14.742 7.796 1.00 0.00 C ATOM 1470 CE LYS A 98 -4.099 -13.592 7.280 1.00 0.00 C ATOM 1471 NZ LYS A 98 -4.075 -12.467 8.231 1.00 0.00 N ATOM 0 H LYS A 98 -3.140 -18.511 9.372 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.160 -16.661 11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.349 -17.202 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.097 -16.241 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.346 -14.564 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.314 -15.596 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.052 -15.518 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.978 -14.385 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.083 -13.949 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.480 -13.249 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.608 -11.649 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.049 -12.211 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.551 -12.746 9.085 1.00 0.00 H new ATOM 1485 N ARG A 99 -4.390 -19.625 11.356 1.00 0.00 N ATOM 1486 CA ARG A 99 -4.946 -20.884 11.824 1.00 0.00 C ATOM 1487 C ARG A 99 -4.115 -21.461 12.958 1.00 0.00 C ATOM 1488 O ARG A 99 -3.053 -20.936 13.288 1.00 0.00 O ATOM 1489 CB ARG A 99 -5.005 -21.865 10.658 1.00 0.00 C ATOM 1490 CG ARG A 99 -6.357 -21.710 9.968 1.00 0.00 C ATOM 1491 CD ARG A 99 -6.438 -22.762 8.873 1.00 0.00 C ATOM 1492 NE ARG A 99 -7.763 -22.786 8.243 1.00 0.00 N ATOM 1493 CZ ARG A 99 -8.835 -23.383 8.771 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -8.761 -24.018 9.941 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -9.997 -23.348 8.127 1.00 0.00 N ATOM 0 H ARG A 99 -3.381 -19.664 11.210 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.951 -20.707 12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.195 -21.668 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.876 -22.887 11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.169 -21.839 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.459 -20.710 9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.679 -22.560 8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.217 -23.743 9.293 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.873 -22.317 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.876 -24.053 10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.589 -24.469 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.069 -22.866 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.817 -23.803 8.529 1.00 0.00 H new ATOM 1509 N SER A 100 -4.606 -22.551 13.552 1.00 0.00 N ATOM 1510 CA SER A 100 -3.917 -23.250 14.622 1.00 0.00 C ATOM 1511 C SER A 100 -2.665 -23.955 14.108 1.00 0.00 C ATOM 1512 O SER A 100 -1.827 -24.379 14.902 1.00 0.00 O ATOM 1513 CB SER A 100 -4.871 -24.274 15.225 1.00 0.00 C ATOM 1514 OG SER A 100 -5.935 -23.617 15.881 1.00 0.00 O ATOM 0 H SER A 100 -5.500 -22.971 13.297 1.00 0.00 H new ATOM 0 HA SER A 100 -3.606 -22.526 15.375 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.262 -24.924 14.442 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.336 -24.910 15.930 1.00 0.00 H new ATOM 0 HG SER A 100 -6.544 -24.282 16.264 1.00 0.00 H new ATOM 1520 N ALA A 101 -2.537 -24.082 12.782 1.00 0.00 N ATOM 1521 CA ALA A 101 -1.452 -24.803 12.131 1.00 0.00 C ATOM 1522 C ALA A 101 -1.282 -26.221 12.685 1.00 0.00 C ATOM 1523 O ALA A 101 -0.233 -26.836 12.503 1.00 0.00 O ATOM 1524 CB ALA A 101 -0.168 -23.976 12.195 1.00 0.00 C ATOM 0 H ALA A 101 -3.202 -23.676 12.124 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.706 -24.939 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.640 -24.520 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.323 -23.024 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.096 -23.793 13.237 1.00 0.00 H new ATOM 1530 N ALA A 102 -2.312 -26.743 13.362 1.00 0.00 N ATOM 1531 CA ALA A 102 -2.264 -28.046 14.004 1.00 0.00 C ATOM 1532 C ALA A 102 -3.650 -28.690 14.107 1.00 0.00 C ATOM 1533 O ALA A 102 -3.786 -29.759 14.695 1.00 0.00 O ATOM 1534 CB ALA A 102 -1.646 -27.886 15.392 1.00 0.00 C ATOM 0 H ALA A 102 -3.205 -26.263 13.476 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.654 -28.711 13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.604 -28.857 15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.638 -27.483 15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.255 -27.204 15.985 1.00 0.00 H new ATOM 1540 N GLU A 103 -4.685 -28.059 13.544 1.00 0.00 N ATOM 1541 CA GLU A 103 -6.048 -28.563 13.652 1.00 0.00 C ATOM 1542 C GLU A 103 -6.287 -29.784 12.759 1.00 0.00 C ATOM 1543 O GLU A 103 -7.366 -30.376 12.794 1.00 0.00 O ATOM 1544 CB GLU A 103 -7.058 -27.451 13.348 1.00 0.00 C ATOM 1545 CG GLU A 103 -6.933 -26.884 11.932 1.00 0.00 C ATOM 1546 CD GLU A 103 -6.060 -25.634 11.896 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -4.824 -25.782 12.023 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -6.640 -24.536 11.742 1.00 0.00 O ATOM 0 H GLU A 103 -4.599 -27.195 13.008 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.193 -28.893 14.681 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.067 -27.839 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.925 -26.643 14.068 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.509 -27.642 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.925 -26.646 11.547 1.00 0.00 H new ATOM 1555 N MET A 104 -5.286 -30.162 11.959 1.00 0.00 N ATOM 1556 CA MET A 104 -5.355 -31.312 11.066 1.00 0.00 C ATOM 1557 C MET A 104 -4.423 -32.433 11.533 1.00 0.00 C ATOM 1558 O MET A 104 -4.181 -33.380 10.784 1.00 0.00 O ATOM 1559 CB MET A 104 -5.032 -30.880 9.635 1.00 0.00 C ATOM 1560 CG MET A 104 -6.089 -29.904 9.119 1.00 0.00 C ATOM 1561 SD MET A 104 -5.800 -29.310 7.432 1.00 0.00 S ATOM 1562 CE MET A 104 -4.310 -28.319 7.715 1.00 0.00 C ATOM 0 H MET A 104 -4.395 -29.668 11.916 1.00 0.00 H new ATOM 0 HA MET A 104 -6.370 -31.709 11.087 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.049 -30.410 9.604 1.00 0.00 H new ATOM 0 HB3 MET A 104 -4.988 -31.755 8.986 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.064 -30.390 9.158 1.00 0.00 H new ATOM 0 HG3 MET A 104 -6.133 -29.047 9.791 1.00 0.00 H new ATOM 0 HE1 MET A 104 -4.138 -27.668 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 104 -4.441 -27.713 8.611 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.453 -28.980 7.846 1.00 0.00 H new ATOM 1572 N TYR A 105 -3.901 -32.333 12.760 1.00 0.00 N ATOM 1573 CA TYR A 105 -2.971 -33.312 13.303 1.00 0.00 C ATOM 1574 C TYR A 105 -3.438 -33.837 14.664 1.00 0.00 C ATOM 1575 O TYR A 105 -2.748 -34.648 15.281 1.00 0.00 O ATOM 1576 CB TYR A 105 -1.577 -32.691 13.402 1.00 0.00 C ATOM 1577 CG TYR A 105 -1.037 -32.177 12.085 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -1.411 -30.907 11.628 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -0.159 -32.966 11.323 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -0.908 -30.411 10.415 1.00 0.00 C ATOM 1581 CE2 TYR A 105 0.345 -32.483 10.107 1.00 0.00 C ATOM 1582 CZ TYR A 105 -0.025 -31.200 9.651 1.00 0.00 C ATOM 1583 OH TYR A 105 0.468 -30.721 8.476 1.00 0.00 O ATOM 0 H TYR A 105 -4.115 -31.568 13.400 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.933 -34.167 12.629 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.607 -31.868 14.117 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -0.887 -33.434 13.801 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.091 -30.305 12.213 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.128 -33.946 11.674 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.196 -29.429 10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.016 -33.093 9.520 1.00 0.00 H new ATOM 0 HH TYR A 105 1.063 -31.388 8.074 1.00 0.00 H new ATOM 1593 N GLY A 106 -4.606 -33.381 15.133 1.00 0.00 N ATOM 1594 CA GLY A 106 -5.172 -33.807 16.406 1.00 0.00 C ATOM 1595 C GLY A 106 -4.356 -33.274 17.578 1.00 0.00 C ATOM 1596 O GLY A 106 -3.363 -32.579 17.375 1.00 0.00 O ATOM 1597 OXT GLY A 106 -4.667 -33.520 18.731 1.00 0.00 O ATOM 0 H GLY A 106 -5.182 -32.704 14.634 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.201 -33.455 16.486 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.204 -34.896 16.447 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.463 -7.426 11.122 1.00 0.00 O ATOM 1603 C5' U B 1 3.233 -6.640 10.239 1.00 0.00 C ATOM 1604 C4' U B 1 2.466 -5.413 9.744 1.00 0.00 C ATOM 1605 O4' U B 1 1.596 -5.769 8.680 1.00 0.00 O ATOM 1606 C3' U B 1 1.631 -4.769 10.845 1.00 0.00 C ATOM 1607 O3' U B 1 1.604 -3.362 10.651 1.00 0.00 O ATOM 1608 C2' U B 1 0.268 -5.423 10.618 1.00 0.00 C ATOM 1609 O2' U B 1 -0.798 -4.593 11.028 1.00 0.00 O ATOM 1610 C1' U B 1 0.250 -5.653 9.112 1.00 0.00 C ATOM 1611 N1 U B 1 -0.522 -6.861 8.739 1.00 0.00 N ATOM 1612 C2 U B 1 -1.652 -6.697 7.950 1.00 0.00 C ATOM 1613 O2 U B 1 -2.047 -5.594 7.580 1.00 0.00 O ATOM 1614 N3 U B 1 -2.329 -7.853 7.593 1.00 0.00 N ATOM 1615 C4 U B 1 -2.005 -9.136 7.993 1.00 0.00 C ATOM 1616 O4 U B 1 -2.689 -10.095 7.645 1.00 0.00 O ATOM 1617 C5 U B 1 -0.829 -9.211 8.828 1.00 0.00 C ATOM 1618 C6 U B 1 -0.136 -8.101 9.163 1.00 0.00 C ATOM 0 H5' U B 1 3.536 -7.246 9.385 1.00 0.00 H new ATOM 0 H5'' U B 1 4.145 -6.318 10.742 1.00 0.00 H new ATOM 0 H4' U B 1 3.215 -4.696 9.407 1.00 0.00 H new ATOM 0 H3' U B 1 1.997 -4.911 11.862 1.00 0.00 H new ATOM 0 H2' U B 1 0.136 -6.336 11.198 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.536 -4.096 11.831 1.00 0.00 H new ATOM 0 HO5' U B 1 2.726 -8.366 11.037 1.00 0.00 H new ATOM 0 H1' U B 1 -0.245 -4.813 8.625 1.00 0.00 H new ATOM 0 H3 U B 1 -3.138 -7.747 6.981 1.00 0.00 H new ATOM 0 H5 U B 1 -0.497 -10.173 9.191 1.00 0.00 H new ATOM 0 H6 U B 1 0.745 -8.196 9.781 1.00 0.00 H new ATOM 1629 P U B 2 1.389 -2.374 11.904 1.00 0.00 P ATOM 1630 OP1 U B 2 2.649 -2.348 12.681 1.00 0.00 O ATOM 1631 OP2 U B 2 0.129 -2.751 12.583 1.00 0.00 O ATOM 1632 O5' U B 2 1.180 -0.915 11.244 1.00 0.00 O ATOM 1633 C5' U B 2 0.080 -0.648 10.397 1.00 0.00 C ATOM 1634 C4' U B 2 -0.036 0.855 10.127 1.00 0.00 C ATOM 1635 O4' U B 2 -0.794 1.053 8.937 1.00 0.00 O ATOM 1636 C3' U B 2 -0.789 1.556 11.263 1.00 0.00 C ATOM 1637 O3' U B 2 -0.385 2.907 11.397 1.00 0.00 O ATOM 1638 C2' U B 2 -2.219 1.502 10.743 1.00 0.00 C ATOM 1639 O2' U B 2 -3.057 2.469 11.338 1.00 0.00 O ATOM 1640 C1' U B 2 -1.979 1.766 9.265 1.00 0.00 C ATOM 1641 N1 U B 2 -3.132 1.368 8.422 1.00 0.00 N ATOM 1642 C2 U B 2 -3.679 2.347 7.604 1.00 0.00 C ATOM 1643 O2 U B 2 -3.241 3.495 7.557 1.00 0.00 O ATOM 1644 N3 U B 2 -4.762 1.969 6.832 1.00 0.00 N ATOM 1645 C4 U B 2 -5.325 0.709 6.788 1.00 0.00 C ATOM 1646 O4 U B 2 -6.269 0.478 6.040 1.00 0.00 O ATOM 1647 C5 U B 2 -4.704 -0.248 7.676 1.00 0.00 C ATOM 1648 C6 U B 2 -3.652 0.102 8.452 1.00 0.00 C ATOM 0 H5' U B 2 -0.838 -1.013 10.857 1.00 0.00 H new ATOM 0 H5'' U B 2 0.199 -1.185 9.456 1.00 0.00 H new ATOM 0 H4' U B 2 0.971 1.264 10.040 1.00 0.00 H new ATOM 0 H3' U B 2 -0.628 1.100 12.240 1.00 0.00 H new ATOM 0 H2' U B 2 -2.743 0.571 10.960 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.509 3.187 11.719 1.00 0.00 H new ATOM 0 H1' U B 2 -1.864 2.832 9.070 1.00 0.00 H new ATOM 0 H3 U B 2 -5.183 2.686 6.241 1.00 0.00 H new ATOM 0 H5 U B 2 -5.085 -1.257 7.721 1.00 0.00 H new ATOM 0 H6 U B 2 -3.213 -0.634 9.110 1.00 0.00 H new ATOM 1659 P U B 3 0.806 3.346 12.392 1.00 0.00 P ATOM 1660 OP1 U B 3 1.335 2.138 13.066 1.00 0.00 O ATOM 1661 OP2 U B 3 0.302 4.473 13.213 1.00 0.00 O ATOM 1662 O5' U B 3 1.949 3.929 11.418 1.00 0.00 O ATOM 1663 C5' U B 3 2.991 3.110 10.936 1.00 0.00 C ATOM 1664 C4' U B 3 3.934 3.892 10.015 1.00 0.00 C ATOM 1665 O4' U B 3 3.354 4.043 8.729 1.00 0.00 O ATOM 1666 C3' U B 3 4.241 5.285 10.564 1.00 0.00 C ATOM 1667 O3' U B 3 5.570 5.636 10.230 1.00 0.00 O ATOM 1668 C2' U B 3 3.208 6.139 9.834 1.00 0.00 C ATOM 1669 O2' U B 3 3.648 7.467 9.632 1.00 0.00 O ATOM 1670 C1' U B 3 3.044 5.406 8.507 1.00 0.00 C ATOM 1671 N1 U B 3 1.675 5.562 7.970 1.00 0.00 N ATOM 1672 C2 U B 3 1.535 6.191 6.741 1.00 0.00 C ATOM 1673 O2 U B 3 2.498 6.600 6.092 1.00 0.00 O ATOM 1674 N3 U B 3 0.241 6.340 6.265 1.00 0.00 N ATOM 1675 C4 U B 3 -0.910 5.915 6.909 1.00 0.00 C ATOM 1676 O4 U B 3 -2.012 6.102 6.399 1.00 0.00 O ATOM 1677 C5 U B 3 -0.673 5.264 8.178 1.00 0.00 C ATOM 1678 C6 U B 3 0.582 5.110 8.660 1.00 0.00 C ATOM 0 H5' U B 3 2.570 2.263 10.394 1.00 0.00 H new ATOM 0 H5'' U B 3 3.554 2.703 11.776 1.00 0.00 H new ATOM 0 H4' U B 3 4.860 3.321 9.955 1.00 0.00 H new ATOM 0 H3' U B 3 4.179 5.390 11.647 1.00 0.00 H new ATOM 0 H2' U B 3 2.281 6.245 10.397 1.00 0.00 H new ATOM 0 HO2' U B 3 4.110 7.784 10.436 1.00 0.00 H new ATOM 0 H1' U B 3 3.717 5.829 7.761 1.00 0.00 H new ATOM 0 H3 U B 3 0.127 6.802 5.363 1.00 0.00 H new ATOM 0 H5 U B 3 -1.511 4.895 8.750 1.00 0.00 H new ATOM 0 H6 U B 3 0.725 4.619 9.611 1.00 0.00 H new ATOM 1689 P U B 4 6.421 6.634 11.169 1.00 0.00 P ATOM 1690 OP1 U B 4 6.776 5.916 12.415 1.00 0.00 O ATOM 1691 OP2 U B 4 5.695 7.923 11.257 1.00 0.00 O ATOM 1692 O5' U B 4 7.768 6.865 10.313 1.00 0.00 O ATOM 1693 C5' U B 4 8.700 5.818 10.150 1.00 0.00 C ATOM 1694 C4' U B 4 9.758 6.152 9.094 1.00 0.00 C ATOM 1695 O4' U B 4 9.137 6.465 7.853 1.00 0.00 O ATOM 1696 C3' U B 4 10.613 7.358 9.487 1.00 0.00 C ATOM 1697 O3' U B 4 11.890 7.247 8.889 1.00 0.00 O ATOM 1698 C2' U B 4 9.849 8.498 8.835 1.00 0.00 C ATOM 1699 O2' U B 4 10.675 9.616 8.572 1.00 0.00 O ATOM 1700 C1' U B 4 9.335 7.844 7.562 1.00 0.00 C ATOM 1701 N1 U B 4 8.099 8.528 7.131 1.00 0.00 N ATOM 1702 C2 U B 4 8.241 9.672 6.355 1.00 0.00 C ATOM 1703 O2 U B 4 9.335 10.093 5.983 1.00 0.00 O ATOM 1704 N3 U B 4 7.072 10.332 6.013 1.00 0.00 N ATOM 1705 C4 U B 4 5.791 9.916 6.323 1.00 0.00 C ATOM 1706 O4 U B 4 4.822 10.556 5.926 1.00 0.00 O ATOM 1707 C5 U B 4 5.733 8.713 7.118 1.00 0.00 C ATOM 1708 C6 U B 4 6.862 8.069 7.492 1.00 0.00 C ATOM 0 H5' U B 4 8.175 4.907 9.862 1.00 0.00 H new ATOM 0 H5'' U B 4 9.190 5.617 11.103 1.00 0.00 H new ATOM 0 H4' U B 4 10.393 5.270 9.011 1.00 0.00 H new ATOM 0 H3' U B 4 10.767 7.471 10.560 1.00 0.00 H new ATOM 0 H2' U B 4 9.058 8.910 9.462 1.00 0.00 H new ATOM 0 HO2' U B 4 10.402 10.033 7.728 1.00 0.00 H new ATOM 0 H1' U B 4 10.039 7.928 6.734 1.00 0.00 H new ATOM 0 H3 U B 4 7.165 11.201 5.487 1.00 0.00 H new ATOM 0 H5 U B 4 4.773 8.321 7.419 1.00 0.00 H new ATOM 0 H6 U B 4 6.785 7.172 8.089 1.00 0.00 H new ATOM 1719 P C B 5 13.082 6.433 9.591 1.00 0.00 P ATOM 1720 OP1 C B 5 14.088 6.120 8.550 1.00 0.00 O ATOM 1721 OP2 C B 5 12.500 5.338 10.401 1.00 0.00 O ATOM 1722 O5' C B 5 13.726 7.520 10.590 1.00 0.00 O ATOM 1723 C5' C B 5 13.304 7.621 11.933 1.00 0.00 C ATOM 1724 C4' C B 5 13.956 8.844 12.589 1.00 0.00 C ATOM 1725 O4' C B 5 13.195 10.009 12.297 1.00 0.00 O ATOM 1726 C3' C B 5 13.914 8.720 14.106 1.00 0.00 C ATOM 1727 O3' C B 5 14.811 9.653 14.684 1.00 0.00 O ATOM 1728 C2' C B 5 12.461 9.098 14.361 1.00 0.00 C ATOM 1729 O2' C B 5 12.277 9.557 15.686 1.00 0.00 O ATOM 1730 C1' C B 5 12.218 10.194 13.318 1.00 0.00 C ATOM 1731 N1 C B 5 10.845 10.211 12.752 1.00 0.00 N ATOM 1732 C2 C B 5 10.590 11.104 11.715 1.00 0.00 C ATOM 1733 O2 C B 5 11.453 11.888 11.327 1.00 0.00 O ATOM 1734 N3 C B 5 9.364 11.099 11.130 1.00 0.00 N ATOM 1735 C4 C B 5 8.410 10.273 11.556 1.00 0.00 C ATOM 1736 N4 C B 5 7.236 10.284 10.935 1.00 0.00 N ATOM 1737 C5 C B 5 8.625 9.386 12.657 1.00 0.00 C ATOM 1738 C6 C B 5 9.848 9.397 13.226 1.00 0.00 C ATOM 0 H5' C B 5 13.574 6.717 12.478 1.00 0.00 H new ATOM 0 H5'' C B 5 12.218 7.708 11.978 1.00 0.00 H new ATOM 0 H4' C B 5 14.977 8.906 12.214 1.00 0.00 H new ATOM 0 H3' C B 5 14.202 7.753 14.518 1.00 0.00 H new ATOM 0 H2' C B 5 11.762 8.267 14.268 1.00 0.00 H new ATOM 0 HO2' C B 5 11.344 9.831 15.811 1.00 0.00 H new ATOM 0 HO3' C B 5 14.345 10.171 15.373 1.00 0.00 H new ATOM 0 H1' C B 5 12.312 11.165 13.804 1.00 0.00 H new ATOM 0 H41 C B 5 6.490 9.660 11.243 1.00 0.00 H new ATOM 0 H42 C B 5 7.080 10.916 10.150 1.00 0.00 H new ATOM 0 H5 C B 5 7.842 8.735 13.017 1.00 0.00 H new ATOM 0 H6 C B 5 10.046 8.753 14.070 1.00 0.00 H new TER 1750 C B 5