USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 604 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 1 ASN : amide:sc= 0 K(o=-0.092,f=0.76) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.0924 K(o=-0.092,f=-1.5) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -176:sc= 1.4 (180deg=0.0701) USER MOD Set 2.2: A 6 TYR OH : rot 30:sc= 0.97 USER MOD Single : A 1 ASN N :NH3+ 134:sc= 0.0711 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0418 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 CYS SG : rot -96:sc= -1.39! USER MOD Single : A 8 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 10 THR OG1 : rot 45:sc= 0.745 USER MOD Single : A 12 MET CE :methyl -130:sc= -1.24 (180deg=-2.15!) USER MOD Single : A 13 THR OG1 : rot 107:sc= 1.3 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.262 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0964 USER MOD Single : A 17 CYS SG : rot -88:sc= -0.793 USER MOD Single : A 20 ASN : amide:sc= -0.0622 X(o=-0.062,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.704 X(o=0.7,f=0.29) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 172:sc= 0 (180deg=-0.107) USER MOD Single : A 42 LYS NZ :NH3+ -109:sc= 1.12 (180deg=-0.766) USER MOD Single : A 47 TYR OH : rot 90:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.0063) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0554 K(o=-0.055,f=0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -17.198 -2.154 9.750 1.00 3.11 N ATOM 2 CA ASN A 1 -16.377 -3.100 8.974 1.00 2.33 C ATOM 3 C ASN A 1 -15.201 -2.310 8.418 1.00 1.80 C ATOM 4 O ASN A 1 -15.425 -1.194 7.958 1.00 2.68 O ATOM 5 CB ASN A 1 -17.177 -3.749 7.838 1.00 2.84 C ATOM 6 CG ASN A 1 -16.309 -4.734 7.059 1.00 2.97 C ATOM 7 OD1 ASN A 1 -15.625 -4.356 6.120 1.00 4.06 O ATOM 8 ND2 ASN A 1 -16.299 -6.001 7.460 1.00 2.97 N ATOM 0 H1 ASN A 1 -18.201 -2.283 9.506 1.00 3.11 H new ATOM 0 H2 ASN A 1 -17.064 -2.330 10.766 1.00 3.11 H new ATOM 0 H3 ASN A 1 -16.910 -1.180 9.527 1.00 3.11 H new ATOM 0 HA ASN A 1 -16.039 -3.915 9.614 1.00 2.33 H new ATOM 0 HB2 ASN A 1 -18.045 -4.266 8.247 1.00 2.84 H new ATOM 0 HB3 ASN A 1 -17.554 -2.978 7.166 1.00 2.84 H new ATOM 0 HD21 ASN A 1 -15.711 -6.683 6.981 1.00 2.97 H new ATOM 0 HD22 ASN A 1 -16.879 -6.291 8.247 1.00 2.97 H new ATOM 17 N SER A 2 -13.983 -2.834 8.552 1.00 1.65 N ATOM 18 CA SER A 2 -12.740 -2.146 8.244 1.00 1.16 C ATOM 19 C SER A 2 -11.629 -3.109 8.642 1.00 1.01 C ATOM 20 O SER A 2 -11.730 -3.691 9.721 1.00 1.41 O ATOM 21 CB SER A 2 -12.632 -0.841 9.043 1.00 1.49 C ATOM 22 OG SER A 2 -12.994 -1.081 10.392 1.00 2.58 O ATOM 0 H SER A 2 -13.835 -3.785 8.891 1.00 1.65 H new ATOM 0 HA SER A 2 -12.681 -1.876 7.190 1.00 1.16 H new ATOM 0 HB2 SER A 2 -11.614 -0.454 8.992 1.00 1.49 H new ATOM 0 HB3 SER A 2 -13.284 -0.082 8.610 1.00 1.49 H new ATOM 0 HG SER A 2 -12.751 -1.998 10.638 1.00 2.58 H new ATOM 28 N SER A 3 -10.615 -3.304 7.798 1.00 0.77 N ATOM 29 CA SER A 3 -9.523 -4.236 8.066 1.00 0.72 C ATOM 30 C SER A 3 -8.204 -3.564 7.696 1.00 0.58 C ATOM 31 O SER A 3 -8.209 -2.453 7.162 1.00 0.55 O ATOM 32 CB SER A 3 -9.747 -5.541 7.284 1.00 0.95 C ATOM 33 OG SER A 3 -10.951 -6.152 7.697 1.00 1.77 O ATOM 0 H SER A 3 -10.529 -2.817 6.906 1.00 0.77 H new ATOM 0 HA SER A 3 -9.490 -4.496 9.124 1.00 0.72 H new ATOM 0 HB2 SER A 3 -9.784 -5.332 6.215 1.00 0.95 H new ATOM 0 HB3 SER A 3 -8.910 -6.220 7.447 1.00 0.95 H new ATOM 0 HG SER A 3 -11.087 -6.981 7.193 1.00 1.77 H new ATOM 39 N LYS A 4 -7.076 -4.223 7.972 1.00 0.70 N ATOM 40 CA LYS A 4 -5.786 -3.794 7.457 1.00 0.79 C ATOM 41 C LYS A 4 -5.298 -4.769 6.397 1.00 0.68 C ATOM 42 O LYS A 4 -5.626 -5.952 6.434 1.00 0.85 O ATOM 43 CB LYS A 4 -4.761 -3.468 8.552 1.00 1.01 C ATOM 44 CG LYS A 4 -4.291 -4.633 9.431 1.00 2.04 C ATOM 45 CD LYS A 4 -5.369 -5.089 10.427 1.00 2.89 C ATOM 46 CE LYS A 4 -4.788 -5.522 11.783 1.00 3.84 C ATOM 47 NZ LYS A 4 -3.918 -6.711 11.688 1.00 4.99 N ATOM 0 H LYS A 4 -7.037 -5.060 8.553 1.00 0.70 H new ATOM 0 HA LYS A 4 -5.921 -2.831 6.964 1.00 0.79 H new ATOM 0 HB2 LYS A 4 -3.885 -3.027 8.076 1.00 1.01 H new ATOM 0 HB3 LYS A 4 -5.189 -2.704 9.201 1.00 1.01 H new ATOM 0 HG2 LYS A 4 -4.009 -5.473 8.796 1.00 2.04 H new ATOM 0 HG3 LYS A 4 -3.398 -4.333 9.979 1.00 2.04 H new ATOM 0 HD2 LYS A 4 -6.078 -4.276 10.584 1.00 2.89 H new ATOM 0 HD3 LYS A 4 -5.927 -5.920 9.995 1.00 2.89 H new ATOM 0 HE2 LYS A 4 -4.218 -4.696 12.208 1.00 3.84 H new ATOM 0 HE3 LYS A 4 -5.606 -5.732 12.472 1.00 3.84 H new ATOM 0 HZ1 LYS A 4 -3.612 -6.994 12.641 1.00 4.99 H new ATOM 0 HZ2 LYS A 4 -4.444 -7.492 11.247 1.00 4.99 H new ATOM 0 HZ3 LYS A 4 -3.084 -6.485 11.109 1.00 4.99 H new ATOM 61 N CYS A 5 -4.562 -4.219 5.436 1.00 0.64 N ATOM 62 CA CYS A 5 -4.087 -4.861 4.225 1.00 0.70 C ATOM 63 C CYS A 5 -2.569 -4.760 4.271 1.00 0.70 C ATOM 64 O CYS A 5 -1.999 -3.671 4.200 1.00 0.88 O ATOM 65 CB CYS A 5 -4.689 -4.200 2.971 1.00 0.83 C ATOM 66 SG CYS A 5 -4.810 -2.400 3.119 1.00 2.61 S ATOM 0 H CYS A 5 -4.264 -3.245 5.491 1.00 0.64 H new ATOM 0 HA CYS A 5 -4.397 -5.904 4.169 1.00 0.70 H new ATOM 0 HB2 CYS A 5 -4.076 -4.449 2.105 1.00 0.83 H new ATOM 0 HB3 CYS A 5 -5.681 -4.613 2.789 1.00 0.83 H new ATOM 0 HG CYS A 5 -6.007 -2.076 3.509 1.00 2.61 H new ATOM 72 N TYR A 6 -1.909 -5.901 4.468 1.00 0.56 N ATOM 73 CA TYR A 6 -0.467 -5.939 4.600 1.00 0.61 C ATOM 74 C TYR A 6 0.106 -6.203 3.221 1.00 0.58 C ATOM 75 O TYR A 6 -0.175 -7.240 2.627 1.00 0.70 O ATOM 76 CB TYR A 6 -0.067 -7.028 5.592 1.00 0.74 C ATOM 77 CG TYR A 6 -0.478 -6.739 7.019 1.00 1.23 C ATOM 78 CD1 TYR A 6 0.128 -5.680 7.718 1.00 2.33 C ATOM 79 CD2 TYR A 6 -1.435 -7.546 7.662 1.00 2.71 C ATOM 80 CE1 TYR A 6 -0.173 -5.470 9.072 1.00 3.13 C ATOM 81 CE2 TYR A 6 -1.722 -7.343 9.022 1.00 3.79 C ATOM 82 CZ TYR A 6 -1.067 -6.324 9.730 1.00 3.58 C ATOM 83 OH TYR A 6 -1.380 -6.103 11.039 1.00 4.80 O ATOM 0 H TYR A 6 -2.361 -6.813 4.539 1.00 0.56 H new ATOM 0 HA TYR A 6 -0.078 -4.996 4.984 1.00 0.61 H new ATOM 0 HB2 TYR A 6 -0.514 -7.972 5.280 1.00 0.74 H new ATOM 0 HB3 TYR A 6 1.014 -7.160 5.555 1.00 0.74 H new ATOM 0 HD1 TYR A 6 0.825 -5.028 7.212 1.00 2.33 H new ATOM 0 HD2 TYR A 6 -1.948 -8.320 7.111 1.00 2.71 H new ATOM 0 HE1 TYR A 6 0.284 -4.650 9.607 1.00 3.13 H new ATOM 0 HE2 TYR A 6 -2.445 -7.970 9.522 1.00 3.79 H new ATOM 0 HH TYR A 6 -1.323 -5.144 11.232 1.00 4.80 H new ATOM 93 N ILE A 7 0.884 -5.258 2.701 1.00 0.58 N ATOM 94 CA ILE A 7 1.522 -5.387 1.407 1.00 0.55 C ATOM 95 C ILE A 7 2.978 -5.751 1.691 1.00 0.50 C ATOM 96 O ILE A 7 3.667 -5.030 2.416 1.00 0.78 O ATOM 97 CB ILE A 7 1.380 -4.106 0.553 1.00 0.68 C ATOM 98 CG1 ILE A 7 0.212 -3.175 0.936 1.00 1.12 C ATOM 99 CG2 ILE A 7 1.311 -4.468 -0.939 1.00 0.53 C ATOM 100 CD1 ILE A 7 -1.183 -3.767 0.726 1.00 0.96 C ATOM 0 H ILE A 7 1.087 -4.377 3.174 1.00 0.58 H new ATOM 0 HA ILE A 7 1.043 -6.161 0.807 1.00 0.55 H new ATOM 0 HB ILE A 7 2.277 -3.525 0.768 1.00 0.68 H new ATOM 0 HG12 ILE A 7 0.318 -2.897 1.985 1.00 1.12 H new ATOM 0 HG13 ILE A 7 0.292 -2.258 0.353 1.00 1.12 H new ATOM 0 HG21 ILE A 7 1.211 -3.558 -1.530 1.00 0.53 H new ATOM 0 HG22 ILE A 7 2.222 -4.991 -1.229 1.00 0.53 H new ATOM 0 HG23 ILE A 7 0.450 -5.113 -1.118 1.00 0.53 H new ATOM 0 HD11 ILE A 7 -1.936 -3.038 1.024 1.00 0.96 H new ATOM 0 HD12 ILE A 7 -1.317 -4.018 -0.326 1.00 0.96 H new ATOM 0 HD13 ILE A 7 -1.291 -4.667 1.331 1.00 0.96 H new ATOM 112 N GLN A 8 3.444 -6.882 1.159 1.00 0.69 N ATOM 113 CA GLN A 8 4.865 -7.168 1.107 1.00 0.95 C ATOM 114 C GLN A 8 5.376 -6.772 -0.271 1.00 0.94 C ATOM 115 O GLN A 8 4.627 -6.781 -1.249 1.00 0.82 O ATOM 116 CB GLN A 8 5.170 -8.630 1.447 1.00 1.12 C ATOM 117 CG GLN A 8 4.679 -8.960 2.859 1.00 2.48 C ATOM 118 CD GLN A 8 5.324 -10.231 3.400 1.00 2.38 C ATOM 119 OE1 GLN A 8 4.662 -11.242 3.591 1.00 3.03 O ATOM 120 NE2 GLN A 8 6.628 -10.184 3.671 1.00 2.36 N ATOM 0 H GLN A 8 2.852 -7.610 0.760 1.00 0.69 H new ATOM 0 HA GLN A 8 5.387 -6.585 1.866 1.00 0.95 H new ATOM 0 HB2 GLN A 8 4.687 -9.287 0.724 1.00 1.12 H new ATOM 0 HB3 GLN A 8 6.243 -8.811 1.376 1.00 1.12 H new ATOM 0 HG2 GLN A 8 4.902 -8.127 3.525 1.00 2.48 H new ATOM 0 HG3 GLN A 8 3.595 -9.078 2.849 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.154 -9.327 3.501 1.00 2.36 H new ATOM 0 HE22 GLN A 8 7.100 -11.006 4.048 1.00 2.36 H new ATOM 129 N VAL A 9 6.639 -6.357 -0.305 1.00 1.09 N ATOM 130 CA VAL A 9 7.389 -5.936 -1.470 1.00 1.19 C ATOM 131 C VAL A 9 8.856 -6.075 -1.067 1.00 1.15 C ATOM 132 O VAL A 9 9.133 -6.318 0.108 1.00 1.55 O ATOM 133 CB VAL A 9 6.957 -4.512 -1.861 1.00 1.32 C ATOM 134 CG1 VAL A 9 7.109 -3.521 -0.705 1.00 2.26 C ATOM 135 CG2 VAL A 9 7.668 -3.967 -3.106 1.00 2.73 C ATOM 0 H VAL A 9 7.200 -6.305 0.545 1.00 1.09 H new ATOM 0 HA VAL A 9 7.212 -6.533 -2.364 1.00 1.19 H new ATOM 0 HB VAL A 9 5.900 -4.609 -2.109 1.00 1.32 H new ATOM 0 HG11 VAL A 9 6.791 -2.530 -1.031 1.00 2.26 H new ATOM 0 HG12 VAL A 9 6.491 -3.843 0.134 1.00 2.26 H new ATOM 0 HG13 VAL A 9 8.153 -3.483 -0.393 1.00 2.26 H new ATOM 0 HG21 VAL A 9 7.310 -2.959 -3.318 1.00 2.73 H new ATOM 0 HG22 VAL A 9 8.743 -3.940 -2.929 1.00 2.73 H new ATOM 0 HG23 VAL A 9 7.457 -4.613 -3.958 1.00 2.73 H new ATOM 145 N THR A 10 9.793 -5.955 -2.006 1.00 1.08 N ATOM 146 CA THR A 10 11.210 -6.116 -1.715 1.00 1.37 C ATOM 147 C THR A 10 12.008 -5.058 -2.459 1.00 1.25 C ATOM 148 O THR A 10 12.322 -5.239 -3.634 1.00 1.38 O ATOM 149 CB THR A 10 11.654 -7.535 -2.104 1.00 1.95 C ATOM 150 OG1 THR A 10 11.359 -7.768 -3.466 1.00 1.97 O ATOM 151 CG2 THR A 10 10.948 -8.607 -1.270 1.00 2.58 C ATOM 0 H THR A 10 9.590 -5.745 -2.983 1.00 1.08 H new ATOM 0 HA THR A 10 11.391 -5.984 -0.648 1.00 1.37 H new ATOM 0 HB THR A 10 12.726 -7.600 -1.918 1.00 1.95 H new ATOM 0 HG1 THR A 10 11.633 -6.992 -3.998 1.00 1.97 H new ATOM 0 HG21 THR A 10 11.292 -9.594 -1.579 1.00 2.58 H new ATOM 0 HG22 THR A 10 11.177 -8.457 -0.215 1.00 2.58 H new ATOM 0 HG23 THR A 10 9.871 -8.535 -1.421 1.00 2.58 H new ATOM 159 N GLY A 11 12.327 -3.963 -1.767 1.00 1.22 N ATOM 160 CA GLY A 11 13.044 -2.856 -2.356 1.00 1.11 C ATOM 161 C GLY A 11 12.013 -1.982 -3.044 1.00 1.41 C ATOM 162 O GLY A 11 11.849 -2.039 -4.258 1.00 2.47 O ATOM 0 H GLY A 11 12.091 -3.829 -0.784 1.00 1.22 H new ATOM 0 HA2 GLY A 11 13.580 -2.293 -1.592 1.00 1.11 H new ATOM 0 HA3 GLY A 11 13.787 -3.212 -3.070 1.00 1.11 H new ATOM 166 N MET A 12 11.296 -1.201 -2.229 1.00 1.60 N ATOM 167 CA MET A 12 10.243 -0.298 -2.666 1.00 2.66 C ATOM 168 C MET A 12 10.696 0.472 -3.905 1.00 3.92 C ATOM 169 O MET A 12 10.023 0.475 -4.929 1.00 5.09 O ATOM 170 CB MET A 12 9.928 0.689 -1.533 1.00 3.08 C ATOM 171 CG MET A 12 9.068 0.089 -0.423 1.00 3.45 C ATOM 172 SD MET A 12 7.321 -0.016 -0.873 1.00 5.40 S ATOM 173 CE MET A 12 6.613 -0.497 0.715 1.00 6.12 C ATOM 0 H MET A 12 11.442 -1.184 -1.220 1.00 1.60 H new ATOM 0 HA MET A 12 9.351 -0.873 -2.915 1.00 2.66 H new ATOM 0 HB2 MET A 12 10.864 1.047 -1.103 1.00 3.08 H new ATOM 0 HB3 MET A 12 9.416 1.556 -1.950 1.00 3.08 H new ATOM 0 HG2 MET A 12 9.437 -0.908 -0.182 1.00 3.45 H new ATOM 0 HG3 MET A 12 9.171 0.694 0.478 1.00 3.45 H new ATOM 0 HE1 MET A 12 5.962 -1.360 0.577 1.00 6.12 H new ATOM 0 HE2 MET A 12 7.414 -0.754 1.408 1.00 6.12 H new ATOM 0 HE3 MET A 12 6.034 0.332 1.122 1.00 6.12 H new ATOM 183 N THR A 13 11.854 1.118 -3.773 1.00 4.08 N ATOM 184 CA THR A 13 12.571 1.824 -4.822 1.00 5.32 C ATOM 185 C THR A 13 13.845 2.391 -4.199 1.00 3.66 C ATOM 186 O THR A 13 14.944 2.110 -4.670 1.00 4.15 O ATOM 187 CB THR A 13 11.675 2.893 -5.481 1.00 7.38 C ATOM 188 OG1 THR A 13 11.016 2.332 -6.593 1.00 8.76 O ATOM 189 CG2 THR A 13 12.440 4.116 -5.984 1.00 8.63 C ATOM 0 H THR A 13 12.341 1.162 -2.878 1.00 4.08 H new ATOM 0 HA THR A 13 12.849 1.154 -5.636 1.00 5.32 H new ATOM 0 HB THR A 13 10.985 3.220 -4.703 1.00 7.38 H new ATOM 0 HG1 THR A 13 10.070 2.196 -6.378 1.00 8.76 H new ATOM 0 HG21 THR A 13 11.742 4.822 -6.434 1.00 8.63 H new ATOM 0 HG22 THR A 13 12.952 4.594 -5.149 1.00 8.63 H new ATOM 0 HG23 THR A 13 13.173 3.806 -6.729 1.00 8.63 H new ATOM 197 N CYS A 14 13.703 3.169 -3.122 1.00 2.05 N ATOM 198 CA CYS A 14 14.810 3.785 -2.403 1.00 1.16 C ATOM 199 C CYS A 14 14.245 4.333 -1.085 1.00 1.31 C ATOM 200 O CYS A 14 13.185 3.873 -0.668 1.00 2.33 O ATOM 201 CB CYS A 14 15.460 4.876 -3.273 1.00 2.73 C ATOM 202 SG CYS A 14 17.179 5.107 -2.762 1.00 4.45 S ATOM 0 H CYS A 14 12.792 3.390 -2.721 1.00 2.05 H new ATOM 0 HA CYS A 14 15.599 3.067 -2.179 1.00 1.16 H new ATOM 0 HB2 CYS A 14 15.417 4.592 -4.324 1.00 2.73 H new ATOM 0 HB3 CYS A 14 14.910 5.812 -3.173 1.00 2.73 H new ATOM 0 HG CYS A 14 17.730 6.026 -3.497 1.00 4.45 H new ATOM 208 N ALA A 15 14.896 5.307 -0.437 1.00 1.89 N ATOM 209 CA ALA A 15 14.397 5.921 0.785 1.00 2.71 C ATOM 210 C ALA A 15 13.117 6.719 0.498 1.00 2.41 C ATOM 211 O ALA A 15 12.005 6.260 0.760 1.00 3.62 O ATOM 212 CB ALA A 15 15.503 6.789 1.402 1.00 4.01 C ATOM 0 H ALA A 15 15.788 5.688 -0.753 1.00 1.89 H new ATOM 0 HA ALA A 15 14.131 5.151 1.510 1.00 2.71 H new ATOM 0 HB1 ALA A 15 15.134 7.251 2.318 1.00 4.01 H new ATOM 0 HB2 ALA A 15 16.368 6.167 1.632 1.00 4.01 H new ATOM 0 HB3 ALA A 15 15.793 7.566 0.695 1.00 4.01 H new ATOM 218 N SER A 16 13.247 7.927 -0.052 1.00 1.67 N ATOM 219 CA SER A 16 12.111 8.772 -0.363 1.00 1.50 C ATOM 220 C SER A 16 11.434 8.312 -1.645 1.00 1.62 C ATOM 221 O SER A 16 11.574 8.915 -2.707 1.00 2.55 O ATOM 222 CB SER A 16 12.571 10.221 -0.438 1.00 1.90 C ATOM 223 OG SER A 16 13.917 10.285 -0.886 1.00 1.77 O ATOM 0 H SER A 16 14.148 8.341 -0.292 1.00 1.67 H new ATOM 0 HA SER A 16 11.364 8.694 0.427 1.00 1.50 H new ATOM 0 HB2 SER A 16 11.927 10.780 -1.117 1.00 1.90 H new ATOM 0 HB3 SER A 16 12.484 10.689 0.542 1.00 1.90 H new ATOM 0 HG SER A 16 14.202 11.221 -0.932 1.00 1.77 H new ATOM 229 N CYS A 17 10.653 7.249 -1.508 1.00 1.39 N ATOM 230 CA CYS A 17 9.728 6.785 -2.530 1.00 1.43 C ATOM 231 C CYS A 17 8.352 6.532 -1.921 1.00 1.17 C ATOM 232 O CYS A 17 7.346 6.965 -2.481 1.00 1.18 O ATOM 233 CB CYS A 17 10.309 5.566 -3.253 1.00 1.52 C ATOM 234 SG CYS A 17 10.336 4.118 -2.173 1.00 3.07 S ATOM 0 H CYS A 17 10.646 6.674 -0.665 1.00 1.39 H new ATOM 0 HA CYS A 17 9.592 7.557 -3.287 1.00 1.43 H new ATOM 0 HB2 CYS A 17 9.715 5.350 -4.141 1.00 1.52 H new ATOM 0 HB3 CYS A 17 11.321 5.789 -3.592 1.00 1.52 H new ATOM 0 HG CYS A 17 11.449 4.098 -1.502 1.00 3.07 H new ATOM 240 N VAL A 18 8.296 5.873 -0.759 1.00 1.00 N ATOM 241 CA VAL A 18 7.047 5.429 -0.164 1.00 0.71 C ATOM 242 C VAL A 18 6.126 6.626 0.055 1.00 0.61 C ATOM 243 O VAL A 18 4.999 6.601 -0.412 1.00 0.62 O ATOM 244 CB VAL A 18 7.274 4.552 1.080 1.00 0.59 C ATOM 245 CG1 VAL A 18 7.789 3.170 0.679 1.00 2.37 C ATOM 246 CG2 VAL A 18 8.204 5.145 2.142 1.00 2.51 C ATOM 0 H VAL A 18 9.122 5.636 -0.209 1.00 1.00 H new ATOM 0 HA VAL A 18 6.531 4.764 -0.857 1.00 0.71 H new ATOM 0 HB VAL A 18 6.291 4.487 1.545 1.00 0.59 H new ATOM 0 HG11 VAL A 18 7.943 2.566 1.573 1.00 2.37 H new ATOM 0 HG12 VAL A 18 7.059 2.683 0.033 1.00 2.37 H new ATOM 0 HG13 VAL A 18 8.733 3.275 0.145 1.00 2.37 H new ATOM 0 HG21 VAL A 18 8.296 4.448 2.975 1.00 2.51 H new ATOM 0 HG22 VAL A 18 9.187 5.322 1.707 1.00 2.51 H new ATOM 0 HG23 VAL A 18 7.792 6.088 2.501 1.00 2.51 H new ATOM 256 N ALA A 19 6.642 7.721 0.619 1.00 0.78 N ATOM 257 CA ALA A 19 5.919 8.974 0.845 1.00 0.83 C ATOM 258 C ALA A 19 4.906 9.323 -0.259 1.00 0.76 C ATOM 259 O ALA A 19 3.792 9.769 0.029 1.00 0.74 O ATOM 260 CB ALA A 19 6.937 10.105 1.011 1.00 1.03 C ATOM 0 H ALA A 19 7.609 7.760 0.942 1.00 0.78 H new ATOM 0 HA ALA A 19 5.326 8.844 1.750 1.00 0.83 H new ATOM 0 HB1 ALA A 19 6.412 11.045 1.180 1.00 1.03 H new ATOM 0 HB2 ALA A 19 7.582 9.891 1.863 1.00 1.03 H new ATOM 0 HB3 ALA A 19 7.543 10.185 0.108 1.00 1.03 H new ATOM 266 N ASN A 20 5.287 9.127 -1.528 1.00 0.79 N ATOM 267 CA ASN A 20 4.379 9.299 -2.653 1.00 0.73 C ATOM 268 C ASN A 20 3.204 8.322 -2.555 1.00 0.59 C ATOM 269 O ASN A 20 2.047 8.737 -2.542 1.00 0.58 O ATOM 270 CB ASN A 20 5.142 9.100 -3.967 1.00 0.82 C ATOM 271 CG ASN A 20 4.199 9.206 -5.161 1.00 0.78 C ATOM 272 OD1 ASN A 20 3.945 10.297 -5.658 1.00 1.14 O ATOM 273 ND2 ASN A 20 3.661 8.081 -5.627 1.00 1.06 N ATOM 0 H ASN A 20 6.230 8.846 -1.796 1.00 0.79 H new ATOM 0 HA ASN A 20 3.974 10.311 -2.629 1.00 0.73 H new ATOM 0 HB2 ASN A 20 5.930 9.848 -4.052 1.00 0.82 H new ATOM 0 HB3 ASN A 20 5.628 8.124 -3.967 1.00 0.82 H new ATOM 0 HD21 ASN A 20 3.018 8.113 -6.418 1.00 1.06 H new ATOM 0 HD22 ASN A 20 3.891 7.187 -5.193 1.00 1.06 H new ATOM 280 N ILE A 21 3.515 7.026 -2.491 1.00 0.56 N ATOM 281 CA ILE A 21 2.553 5.955 -2.297 1.00 0.52 C ATOM 282 C ILE A 21 1.693 6.261 -1.069 1.00 0.45 C ATOM 283 O ILE A 21 0.474 6.296 -1.241 1.00 0.52 O ATOM 284 CB ILE A 21 3.244 4.570 -2.228 1.00 0.59 C ATOM 285 CG1 ILE A 21 3.777 4.115 -3.601 1.00 0.74 C ATOM 286 CG2 ILE A 21 2.300 3.480 -1.718 1.00 0.65 C ATOM 287 CD1 ILE A 21 5.239 4.527 -3.789 1.00 2.03 C ATOM 0 H ILE A 21 4.474 6.689 -2.576 1.00 0.56 H new ATOM 0 HA ILE A 21 1.891 5.902 -3.162 1.00 0.52 H new ATOM 0 HB ILE A 21 4.073 4.702 -1.533 1.00 0.59 H new ATOM 0 HG12 ILE A 21 3.687 3.032 -3.689 1.00 0.74 H new ATOM 0 HG13 ILE A 21 3.168 4.551 -4.393 1.00 0.74 H new ATOM 0 HG21 ILE A 21 2.828 2.527 -1.687 1.00 0.65 H new ATOM 0 HG22 ILE A 21 1.955 3.737 -0.716 1.00 0.65 H new ATOM 0 HG23 ILE A 21 1.443 3.398 -2.387 1.00 0.65 H new ATOM 0 HD11 ILE A 21 5.588 4.193 -4.766 1.00 2.03 H new ATOM 0 HD12 ILE A 21 5.322 5.612 -3.725 1.00 2.03 H new ATOM 0 HD13 ILE A 21 5.849 4.070 -3.010 1.00 2.03 H new ATOM 299 N GLU A 22 2.264 6.525 0.120 1.00 0.45 N ATOM 300 CA GLU A 22 1.500 6.971 1.275 1.00 0.48 C ATOM 301 C GLU A 22 0.448 7.972 0.842 1.00 0.54 C ATOM 302 O GLU A 22 -0.729 7.656 0.868 1.00 0.70 O ATOM 303 CB GLU A 22 2.389 7.621 2.343 1.00 0.56 C ATOM 304 CG GLU A 22 3.107 6.620 3.243 1.00 0.72 C ATOM 305 CD GLU A 22 4.280 5.952 2.573 1.00 1.89 C ATOM 306 OE1 GLU A 22 4.019 5.194 1.618 1.00 3.70 O ATOM 307 OE2 GLU A 22 5.417 6.264 2.984 1.00 2.30 O ATOM 0 H GLU A 22 3.264 6.432 0.296 1.00 0.45 H new ATOM 0 HA GLU A 22 1.034 6.087 1.711 1.00 0.48 H new ATOM 0 HB2 GLU A 22 3.131 8.249 1.851 1.00 0.56 H new ATOM 0 HB3 GLU A 22 1.776 8.277 2.962 1.00 0.56 H new ATOM 0 HG2 GLU A 22 3.453 7.132 4.141 1.00 0.72 H new ATOM 0 HG3 GLU A 22 2.398 5.857 3.565 1.00 0.72 H new ATOM 314 N ARG A 23 0.862 9.161 0.411 1.00 0.58 N ATOM 315 CA ARG A 23 -0.044 10.220 0.002 1.00 0.72 C ATOM 316 C ARG A 23 -1.070 9.745 -1.034 1.00 0.70 C ATOM 317 O ARG A 23 -2.199 10.228 -1.013 1.00 0.95 O ATOM 318 CB ARG A 23 0.724 11.459 -0.488 1.00 0.91 C ATOM 319 CG ARG A 23 -0.032 12.724 -0.046 1.00 1.79 C ATOM 320 CD ARG A 23 0.413 13.980 -0.804 1.00 1.76 C ATOM 321 NE ARG A 23 1.858 14.238 -0.694 1.00 2.23 N ATOM 322 CZ ARG A 23 2.459 14.945 0.278 1.00 3.04 C ATOM 323 NH1 ARG A 23 1.768 15.310 1.364 1.00 3.70 N ATOM 324 NH2 ARG A 23 3.745 15.288 0.157 1.00 4.16 N ATOM 0 H ARG A 23 1.847 9.415 0.337 1.00 0.58 H new ATOM 0 HA ARG A 23 -0.609 10.510 0.888 1.00 0.72 H new ATOM 0 HB2 ARG A 23 1.734 11.462 -0.079 1.00 0.91 H new ATOM 0 HB3 ARG A 23 0.820 11.438 -1.574 1.00 0.91 H new ATOM 0 HG2 ARG A 23 -1.101 12.574 -0.197 1.00 1.79 H new ATOM 0 HG3 ARG A 23 0.120 12.877 1.022 1.00 1.79 H new ATOM 0 HD2 ARG A 23 0.147 13.876 -1.856 1.00 1.76 H new ATOM 0 HD3 ARG A 23 -0.134 14.841 -0.421 1.00 1.76 H new ATOM 0 HE ARG A 23 2.457 13.845 -1.420 1.00 2.23 H new ATOM 0 HH11 ARG A 23 0.785 15.052 1.454 1.00 3.70 H new ATOM 0 HH12 ARG A 23 2.224 15.847 2.102 1.00 3.70 H new ATOM 0 HH21 ARG A 23 4.270 15.013 -0.673 1.00 4.16 H new ATOM 0 HH22 ARG A 23 4.201 15.825 0.895 1.00 4.16 H new ATOM 338 N ASN A 24 -0.709 8.821 -1.935 1.00 0.55 N ATOM 339 CA ASN A 24 -1.597 8.342 -2.978 1.00 0.60 C ATOM 340 C ASN A 24 -2.699 7.467 -2.365 1.00 0.69 C ATOM 341 O ASN A 24 -3.852 7.564 -2.784 1.00 1.01 O ATOM 342 CB ASN A 24 -0.756 7.672 -4.083 1.00 0.69 C ATOM 343 CG ASN A 24 -1.166 6.250 -4.393 1.00 1.80 C ATOM 344 OD1 ASN A 24 -1.854 5.983 -5.370 1.00 3.00 O ATOM 345 ND2 ASN A 24 -0.704 5.331 -3.560 1.00 2.47 N ATOM 0 H ASN A 24 0.215 8.389 -1.952 1.00 0.55 H new ATOM 0 HA ASN A 24 -2.129 9.159 -3.464 1.00 0.60 H new ATOM 0 HB2 ASN A 24 -0.831 8.267 -4.993 1.00 0.69 H new ATOM 0 HB3 ASN A 24 0.292 7.680 -3.782 1.00 0.69 H new ATOM 0 HD21 ASN A 24 -0.917 4.346 -3.718 1.00 2.47 H new ATOM 0 HD22 ASN A 24 -0.135 5.608 -2.760 1.00 2.47 H new ATOM 352 N LEU A 25 -2.359 6.676 -1.339 1.00 0.56 N ATOM 353 CA LEU A 25 -3.292 5.865 -0.566 1.00 0.57 C ATOM 354 C LEU A 25 -4.083 6.729 0.416 1.00 0.62 C ATOM 355 O LEU A 25 -5.279 6.533 0.588 1.00 0.96 O ATOM 356 CB LEU A 25 -2.520 4.744 0.155 1.00 0.62 C ATOM 357 CG LEU A 25 -2.789 3.317 -0.356 1.00 1.15 C ATOM 358 CD1 LEU A 25 -3.026 3.178 -1.864 1.00 1.78 C ATOM 359 CD2 LEU A 25 -1.600 2.438 0.039 1.00 1.76 C ATOM 0 H LEU A 25 -1.395 6.584 -1.019 1.00 0.56 H new ATOM 0 HA LEU A 25 -4.016 5.408 -1.240 1.00 0.57 H new ATOM 0 HB2 LEU A 25 -1.453 4.947 0.067 1.00 0.62 H new ATOM 0 HB3 LEU A 25 -2.765 4.783 1.216 1.00 0.62 H new ATOM 0 HG LEU A 25 -3.726 3.009 0.107 1.00 1.15 H new ATOM 0 HD11 LEU A 25 -3.205 2.131 -2.109 1.00 1.78 H new ATOM 0 HD12 LEU A 25 -3.894 3.771 -2.152 1.00 1.78 H new ATOM 0 HD13 LEU A 25 -2.148 3.533 -2.404 1.00 1.78 H new ATOM 0 HD21 LEU A 25 -1.767 1.420 -0.313 1.00 1.76 H new ATOM 0 HD22 LEU A 25 -0.690 2.833 -0.412 1.00 1.76 H new ATOM 0 HD23 LEU A 25 -1.495 2.434 1.124 1.00 1.76 H new ATOM 371 N ARG A 26 -3.439 7.708 1.055 1.00 0.51 N ATOM 372 CA ARG A 26 -3.986 8.538 2.113 1.00 0.57 C ATOM 373 C ARG A 26 -5.315 9.196 1.708 1.00 1.09 C ATOM 374 O ARG A 26 -6.099 9.597 2.572 1.00 1.59 O ATOM 375 CB ARG A 26 -2.958 9.613 2.504 1.00 0.61 C ATOM 376 CG ARG A 26 -2.770 9.732 4.022 1.00 2.33 C ATOM 377 CD ARG A 26 -3.346 11.027 4.601 1.00 2.96 C ATOM 378 NE ARG A 26 -4.806 11.060 4.454 1.00 3.80 N ATOM 379 CZ ARG A 26 -5.631 11.962 5.002 1.00 5.07 C ATOM 380 NH1 ARG A 26 -5.130 12.987 5.699 1.00 5.63 N ATOM 381 NH2 ARG A 26 -6.951 11.820 4.838 1.00 6.32 N ATOM 0 H ARG A 26 -2.474 7.950 0.832 1.00 0.51 H new ATOM 0 HA ARG A 26 -4.195 7.895 2.968 1.00 0.57 H new ATOM 0 HB2 ARG A 26 -2.000 9.378 2.041 1.00 0.61 H new ATOM 0 HB3 ARG A 26 -3.277 10.576 2.105 1.00 0.61 H new ATOM 0 HG2 ARG A 26 -3.246 8.881 4.508 1.00 2.33 H new ATOM 0 HG3 ARG A 26 -1.707 9.679 4.255 1.00 2.33 H new ATOM 0 HD2 ARG A 26 -3.080 11.109 5.655 1.00 2.96 H new ATOM 0 HD3 ARG A 26 -2.905 11.885 4.093 1.00 2.96 H new ATOM 0 HE ARG A 26 -5.231 10.330 3.883 1.00 3.80 H new ATOM 0 HH11 ARG A 26 -4.121 13.081 5.813 1.00 5.63 H new ATOM 0 HH12 ARG A 26 -5.757 13.675 6.117 1.00 5.63 H new ATOM 0 HH21 ARG A 26 -7.317 11.033 4.302 1.00 6.32 H new ATOM 0 HH22 ARG A 26 -7.592 12.499 5.249 1.00 6.32 H new ATOM 395 N ARG A 27 -5.495 9.382 0.395 1.00 1.32 N ATOM 396 CA ARG A 27 -6.619 10.033 -0.262 1.00 2.05 C ATOM 397 C ARG A 27 -7.596 9.037 -0.903 1.00 1.59 C ATOM 398 O ARG A 27 -8.662 9.460 -1.343 1.00 2.40 O ATOM 399 CB ARG A 27 -6.088 11.016 -1.322 1.00 2.98 C ATOM 400 CG ARG A 27 -5.245 10.312 -2.398 1.00 4.31 C ATOM 401 CD ARG A 27 -4.695 11.275 -3.457 1.00 5.90 C ATOM 402 NE ARG A 27 -5.647 11.507 -4.552 1.00 6.63 N ATOM 403 CZ ARG A 27 -5.887 10.639 -5.550 1.00 8.29 C ATOM 404 NH1 ARG A 27 -5.366 9.405 -5.508 1.00 9.32 N ATOM 405 NH2 ARG A 27 -6.640 11.017 -6.589 1.00 9.32 N ATOM 0 H ARG A 27 -4.804 9.055 -0.280 1.00 1.32 H new ATOM 0 HA ARG A 27 -7.181 10.568 0.503 1.00 2.05 H new ATOM 0 HB2 ARG A 27 -6.928 11.525 -1.796 1.00 2.98 H new ATOM 0 HB3 ARG A 27 -5.485 11.782 -0.835 1.00 2.98 H new ATOM 0 HG2 ARG A 27 -4.414 9.795 -1.919 1.00 4.31 H new ATOM 0 HG3 ARG A 27 -5.853 9.552 -2.888 1.00 4.31 H new ATOM 0 HD2 ARG A 27 -4.449 12.227 -2.986 1.00 5.90 H new ATOM 0 HD3 ARG A 27 -3.768 10.872 -3.865 1.00 5.90 H new ATOM 0 HE ARG A 27 -6.161 12.388 -4.555 1.00 6.63 H new ATOM 0 HH11 ARG A 27 -4.786 9.123 -4.718 1.00 9.32 H new ATOM 0 HH12 ARG A 27 -5.549 8.748 -6.266 1.00 9.32 H new ATOM 0 HH21 ARG A 27 -7.029 11.960 -6.621 1.00 9.32 H new ATOM 0 HH22 ARG A 27 -6.825 10.363 -7.349 1.00 9.32 H new ATOM 419 N GLU A 28 -7.249 7.747 -1.015 1.00 0.74 N ATOM 420 CA GLU A 28 -8.148 6.772 -1.619 1.00 0.76 C ATOM 421 C GLU A 28 -9.415 6.642 -0.770 1.00 0.99 C ATOM 422 O GLU A 28 -9.348 6.410 0.439 1.00 1.83 O ATOM 423 CB GLU A 28 -7.483 5.398 -1.787 1.00 0.85 C ATOM 424 CG GLU A 28 -6.754 5.193 -3.124 1.00 1.13 C ATOM 425 CD GLU A 28 -7.024 3.787 -3.649 1.00 1.67 C ATOM 426 OE1 GLU A 28 -8.070 3.629 -4.316 1.00 2.29 O ATOM 427 OE2 GLU A 28 -6.220 2.886 -3.325 1.00 2.54 O ATOM 0 H GLU A 28 -6.359 7.364 -0.696 1.00 0.74 H new ATOM 0 HA GLU A 28 -8.405 7.132 -2.615 1.00 0.76 H new ATOM 0 HB2 GLU A 28 -6.770 5.253 -0.975 1.00 0.85 H new ATOM 0 HB3 GLU A 28 -8.245 4.626 -1.683 1.00 0.85 H new ATOM 0 HG2 GLU A 28 -7.091 5.933 -3.850 1.00 1.13 H new ATOM 0 HG3 GLU A 28 -5.682 5.342 -2.991 1.00 1.13 H new ATOM 434 N GLU A 29 -10.571 6.779 -1.421 1.00 1.08 N ATOM 435 CA GLU A 29 -11.884 6.759 -0.804 1.00 1.40 C ATOM 436 C GLU A 29 -12.185 5.375 -0.221 1.00 1.06 C ATOM 437 O GLU A 29 -12.838 4.543 -0.848 1.00 1.12 O ATOM 438 CB GLU A 29 -12.918 7.201 -1.845 1.00 2.08 C ATOM 439 CG GLU A 29 -12.648 8.643 -2.297 1.00 2.76 C ATOM 440 CD GLU A 29 -13.677 9.096 -3.321 1.00 3.13 C ATOM 441 OE1 GLU A 29 -14.751 9.552 -2.877 1.00 3.84 O ATOM 442 OE2 GLU A 29 -13.369 8.967 -4.525 1.00 3.43 O ATOM 0 H GLU A 29 -10.612 6.912 -2.431 1.00 1.08 H new ATOM 0 HA GLU A 29 -11.923 7.455 0.034 1.00 1.40 H new ATOM 0 HB2 GLU A 29 -12.885 6.532 -2.705 1.00 2.08 H new ATOM 0 HB3 GLU A 29 -13.920 7.128 -1.423 1.00 2.08 H new ATOM 0 HG2 GLU A 29 -12.671 9.309 -1.434 1.00 2.76 H new ATOM 0 HG3 GLU A 29 -11.648 8.712 -2.726 1.00 2.76 H new ATOM 449 N GLY A 30 -11.695 5.140 0.998 1.00 1.05 N ATOM 450 CA GLY A 30 -11.824 3.879 1.711 1.00 0.76 C ATOM 451 C GLY A 30 -10.598 3.582 2.572 1.00 0.68 C ATOM 452 O GLY A 30 -10.693 2.786 3.504 1.00 0.92 O ATOM 0 H GLY A 30 -11.183 5.846 1.527 1.00 1.05 H new ATOM 0 HA2 GLY A 30 -12.712 3.908 2.342 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -11.969 3.070 0.995 1.00 0.76 H new ATOM 456 N ILE A 31 -9.450 4.204 2.278 1.00 0.47 N ATOM 457 CA ILE A 31 -8.269 4.100 3.118 1.00 0.43 C ATOM 458 C ILE A 31 -8.484 4.878 4.417 1.00 0.47 C ATOM 459 O ILE A 31 -9.024 5.981 4.406 1.00 0.60 O ATOM 460 CB ILE A 31 -7.030 4.591 2.349 1.00 0.58 C ATOM 461 CG1 ILE A 31 -6.659 3.614 1.218 1.00 0.69 C ATOM 462 CG2 ILE A 31 -5.822 4.819 3.274 1.00 0.82 C ATOM 463 CD1 ILE A 31 -6.309 2.222 1.730 1.00 1.56 C ATOM 0 H ILE A 31 -9.322 4.789 1.453 1.00 0.47 H new ATOM 0 HA ILE A 31 -8.097 3.057 3.383 1.00 0.43 H new ATOM 0 HB ILE A 31 -7.294 5.554 1.911 1.00 0.58 H new ATOM 0 HG12 ILE A 31 -7.493 3.540 0.520 1.00 0.69 H new ATOM 0 HG13 ILE A 31 -5.812 4.015 0.661 1.00 0.69 H new ATOM 0 HG21 ILE A 31 -4.973 5.165 2.685 1.00 0.82 H new ATOM 0 HG22 ILE A 31 -6.074 5.570 4.023 1.00 0.82 H new ATOM 0 HG23 ILE A 31 -5.562 3.884 3.771 1.00 0.82 H new ATOM 0 HD11 ILE A 31 -6.056 1.578 0.888 1.00 1.56 H new ATOM 0 HD12 ILE A 31 -5.457 2.287 2.406 1.00 1.56 H new ATOM 0 HD13 ILE A 31 -7.164 1.805 2.263 1.00 1.56 H new ATOM 475 N TYR A 32 -8.037 4.292 5.531 1.00 0.43 N ATOM 476 CA TYR A 32 -8.044 4.907 6.852 1.00 0.49 C ATOM 477 C TYR A 32 -6.632 5.312 7.276 1.00 0.47 C ATOM 478 O TYR A 32 -6.470 6.301 7.987 1.00 0.61 O ATOM 479 CB TYR A 32 -8.665 3.947 7.871 1.00 0.55 C ATOM 480 CG TYR A 32 -10.179 3.913 7.816 1.00 0.67 C ATOM 481 CD1 TYR A 32 -10.835 3.197 6.799 1.00 2.12 C ATOM 482 CD2 TYR A 32 -10.927 4.703 8.709 1.00 1.92 C ATOM 483 CE1 TYR A 32 -12.231 3.287 6.661 1.00 2.31 C ATOM 484 CE2 TYR A 32 -12.325 4.765 8.591 1.00 1.87 C ATOM 485 CZ TYR A 32 -12.975 4.073 7.557 1.00 1.07 C ATOM 486 OH TYR A 32 -14.329 4.168 7.431 1.00 1.34 O ATOM 0 H TYR A 32 -7.650 3.348 5.534 1.00 0.43 H new ATOM 0 HA TYR A 32 -8.648 5.813 6.810 1.00 0.49 H new ATOM 0 HB2 TYR A 32 -8.279 2.943 7.696 1.00 0.55 H new ATOM 0 HB3 TYR A 32 -8.351 4.239 8.873 1.00 0.55 H new ATOM 0 HD1 TYR A 32 -10.265 2.577 6.123 1.00 2.12 H new ATOM 0 HD2 TYR A 32 -10.426 5.262 9.485 1.00 1.92 H new ATOM 0 HE1 TYR A 32 -12.731 2.752 5.867 1.00 2.31 H new ATOM 0 HE2 TYR A 32 -12.901 5.346 9.297 1.00 1.87 H new ATOM 0 HH TYR A 32 -14.683 4.751 8.135 1.00 1.34 H new ATOM 496 N SER A 33 -5.607 4.551 6.878 1.00 0.41 N ATOM 497 CA SER A 33 -4.225 4.878 7.199 1.00 0.43 C ATOM 498 C SER A 33 -3.319 4.254 6.151 1.00 0.42 C ATOM 499 O SER A 33 -3.644 3.204 5.603 1.00 0.45 O ATOM 500 CB SER A 33 -3.861 4.370 8.600 1.00 0.53 C ATOM 501 OG SER A 33 -2.562 4.792 8.969 1.00 0.77 O ATOM 0 H SER A 33 -5.717 3.699 6.329 1.00 0.41 H new ATOM 0 HA SER A 33 -4.096 5.960 7.196 1.00 0.43 H new ATOM 0 HB2 SER A 33 -4.587 4.739 9.325 1.00 0.53 H new ATOM 0 HB3 SER A 33 -3.914 3.281 8.621 1.00 0.53 H new ATOM 0 HG SER A 33 -2.352 4.458 9.866 1.00 0.77 H new ATOM 507 N ILE A 34 -2.188 4.906 5.895 1.00 0.49 N ATOM 508 CA ILE A 34 -1.225 4.507 4.885 1.00 0.53 C ATOM 509 C ILE A 34 -0.270 3.417 5.379 1.00 0.49 C ATOM 510 O ILE A 34 -0.237 3.086 6.563 1.00 0.59 O ATOM 511 CB ILE A 34 -0.472 5.755 4.398 1.00 0.71 C ATOM 512 CG1 ILE A 34 0.193 6.632 5.483 1.00 2.01 C ATOM 513 CG2 ILE A 34 -1.457 6.641 3.639 1.00 1.07 C ATOM 514 CD1 ILE A 34 1.201 5.925 6.391 1.00 3.00 C ATOM 0 H ILE A 34 -1.913 5.748 6.400 1.00 0.49 H new ATOM 0 HA ILE A 34 -1.762 4.060 4.048 1.00 0.53 H new ATOM 0 HB ILE A 34 0.346 5.365 3.792 1.00 0.71 H new ATOM 0 HG12 ILE A 34 0.698 7.464 4.991 1.00 2.01 H new ATOM 0 HG13 ILE A 34 -0.591 7.060 6.108 1.00 2.01 H new ATOM 0 HG21 ILE A 34 -0.944 7.534 3.283 1.00 1.07 H new ATOM 0 HG22 ILE A 34 -1.860 6.091 2.788 1.00 1.07 H new ATOM 0 HG23 ILE A 34 -2.272 6.931 4.303 1.00 1.07 H new ATOM 0 HD11 ILE A 34 1.603 6.637 7.112 1.00 3.00 H new ATOM 0 HD12 ILE A 34 0.705 5.112 6.921 1.00 3.00 H new ATOM 0 HD13 ILE A 34 2.014 5.522 5.787 1.00 3.00 H new ATOM 526 N LEU A 35 0.494 2.861 4.437 1.00 0.51 N ATOM 527 CA LEU A 35 1.526 1.870 4.618 1.00 0.49 C ATOM 528 C LEU A 35 2.865 2.524 4.922 1.00 0.50 C ATOM 529 O LEU A 35 3.240 3.485 4.264 1.00 0.77 O ATOM 530 CB LEU A 35 1.603 1.011 3.349 1.00 0.58 C ATOM 531 CG LEU A 35 1.964 1.687 2.005 1.00 0.70 C ATOM 532 CD1 LEU A 35 3.482 1.807 1.790 1.00 1.28 C ATOM 533 CD2 LEU A 35 1.362 0.879 0.846 1.00 1.79 C ATOM 0 H LEU A 35 0.389 3.120 3.456 1.00 0.51 H new ATOM 0 HA LEU A 35 1.282 1.238 5.472 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.336 0.224 3.529 1.00 0.58 H new ATOM 0 HB3 LEU A 35 0.636 0.524 3.223 1.00 0.58 H new ATOM 0 HG LEU A 35 1.552 2.696 2.034 1.00 0.70 H new ATOM 0 HD11 LEU A 35 3.677 2.288 0.832 1.00 1.28 H new ATOM 0 HD12 LEU A 35 3.917 2.404 2.591 1.00 1.28 H new ATOM 0 HD13 LEU A 35 3.930 0.813 1.794 1.00 1.28 H new ATOM 0 HD21 LEU A 35 1.617 1.356 -0.101 1.00 1.79 H new ATOM 0 HD22 LEU A 35 1.764 -0.134 0.862 1.00 1.79 H new ATOM 0 HD23 LEU A 35 0.278 0.841 0.953 1.00 1.79 H new ATOM 545 N VAL A 36 3.581 2.016 5.926 1.00 0.34 N ATOM 546 CA VAL A 36 4.898 2.498 6.283 1.00 0.35 C ATOM 547 C VAL A 36 5.628 1.433 7.110 1.00 0.34 C ATOM 548 O VAL A 36 5.444 1.352 8.319 1.00 0.45 O ATOM 549 CB VAL A 36 4.784 3.868 6.982 1.00 0.44 C ATOM 550 CG1 VAL A 36 3.743 3.891 8.113 1.00 0.49 C ATOM 551 CG2 VAL A 36 6.153 4.340 7.481 1.00 0.54 C ATOM 0 H VAL A 36 3.252 1.251 6.515 1.00 0.34 H new ATOM 0 HA VAL A 36 5.504 2.664 5.393 1.00 0.35 H new ATOM 0 HB VAL A 36 4.424 4.568 6.228 1.00 0.44 H new ATOM 0 HG11 VAL A 36 3.715 4.884 8.561 1.00 0.49 H new ATOM 0 HG12 VAL A 36 2.761 3.647 7.708 1.00 0.49 H new ATOM 0 HG13 VAL A 36 4.015 3.158 8.872 1.00 0.49 H new ATOM 0 HG21 VAL A 36 6.048 5.308 7.970 1.00 0.54 H new ATOM 0 HG22 VAL A 36 6.551 3.615 8.192 1.00 0.54 H new ATOM 0 HG23 VAL A 36 6.836 4.433 6.637 1.00 0.54 H new ATOM 561 N ALA A 37 6.474 0.613 6.483 1.00 0.31 N ATOM 562 CA ALA A 37 7.409 -0.227 7.225 1.00 0.34 C ATOM 563 C ALA A 37 8.706 -0.379 6.431 1.00 0.38 C ATOM 564 O ALA A 37 9.278 -1.467 6.327 1.00 0.41 O ATOM 565 CB ALA A 37 6.742 -1.549 7.612 1.00 0.37 C ATOM 0 H ALA A 37 6.529 0.515 5.469 1.00 0.31 H new ATOM 0 HA ALA A 37 7.686 0.245 8.168 1.00 0.34 H new ATOM 0 HB1 ALA A 37 7.450 -2.166 8.165 1.00 0.37 H new ATOM 0 HB2 ALA A 37 5.871 -1.348 8.236 1.00 0.37 H new ATOM 0 HB3 ALA A 37 6.428 -2.076 6.711 1.00 0.37 H new ATOM 571 N LEU A 38 9.202 0.756 5.925 1.00 0.45 N ATOM 572 CA LEU A 38 10.497 0.881 5.259 1.00 0.52 C ATOM 573 C LEU A 38 11.617 0.370 6.176 1.00 0.58 C ATOM 574 O LEU A 38 12.609 -0.163 5.694 1.00 0.65 O ATOM 575 CB LEU A 38 10.718 2.347 4.847 1.00 0.64 C ATOM 576 CG LEU A 38 11.520 2.534 3.546 1.00 0.64 C ATOM 577 CD1 LEU A 38 11.649 4.031 3.254 1.00 1.34 C ATOM 578 CD2 LEU A 38 12.931 1.939 3.579 1.00 1.59 C ATOM 0 H LEU A 38 8.694 1.639 5.971 1.00 0.45 H new ATOM 0 HA LEU A 38 10.512 0.268 4.358 1.00 0.52 H new ATOM 0 HB2 LEU A 38 9.747 2.829 4.732 1.00 0.64 H new ATOM 0 HB3 LEU A 38 11.236 2.863 5.655 1.00 0.64 H new ATOM 0 HG LEU A 38 10.966 1.999 2.774 1.00 0.64 H new ATOM 0 HD11 LEU A 38 12.216 4.175 2.334 1.00 1.34 H new ATOM 0 HD12 LEU A 38 10.656 4.466 3.140 1.00 1.34 H new ATOM 0 HD13 LEU A 38 12.167 4.519 4.079 1.00 1.34 H new ATOM 0 HD21 LEU A 38 13.423 2.117 2.623 1.00 1.59 H new ATOM 0 HD22 LEU A 38 13.506 2.410 4.376 1.00 1.59 H new ATOM 0 HD23 LEU A 38 12.869 0.866 3.762 1.00 1.59 H new ATOM 590 N MET A 39 11.427 0.490 7.499 1.00 0.62 N ATOM 591 CA MET A 39 12.299 -0.067 8.532 1.00 0.74 C ATOM 592 C MET A 39 12.856 -1.446 8.167 1.00 0.68 C ATOM 593 O MET A 39 14.012 -1.746 8.458 1.00 0.77 O ATOM 594 CB MET A 39 11.571 -0.082 9.887 1.00 0.86 C ATOM 595 CG MET A 39 10.355 -1.021 9.943 1.00 2.10 C ATOM 596 SD MET A 39 9.525 -1.090 11.550 1.00 3.03 S ATOM 597 CE MET A 39 8.226 -2.289 11.179 1.00 4.77 C ATOM 0 H MET A 39 10.632 0.997 7.888 1.00 0.62 H new ATOM 0 HA MET A 39 13.169 0.585 8.611 1.00 0.74 H new ATOM 0 HB2 MET A 39 12.278 -0.376 10.663 1.00 0.86 H new ATOM 0 HB3 MET A 39 11.244 0.931 10.121 1.00 0.86 H new ATOM 0 HG2 MET A 39 9.633 -0.704 9.190 1.00 2.10 H new ATOM 0 HG3 MET A 39 10.677 -2.027 9.672 1.00 2.10 H new ATOM 0 HE1 MET A 39 7.706 -2.558 12.098 1.00 4.77 H new ATOM 0 HE2 MET A 39 7.517 -1.852 10.476 1.00 4.77 H new ATOM 0 HE3 MET A 39 8.670 -3.182 10.739 1.00 4.77 H new ATOM 607 N ALA A 40 12.020 -2.273 7.537 1.00 0.60 N ATOM 608 CA ALA A 40 12.393 -3.582 7.026 1.00 0.68 C ATOM 609 C ALA A 40 12.227 -3.649 5.504 1.00 0.70 C ATOM 610 O ALA A 40 13.077 -4.199 4.811 1.00 0.92 O ATOM 611 CB ALA A 40 11.542 -4.625 7.743 1.00 0.87 C ATOM 0 H ALA A 40 11.042 -2.040 7.367 1.00 0.60 H new ATOM 0 HA ALA A 40 13.447 -3.779 7.222 1.00 0.68 H new ATOM 0 HB1 ALA A 40 11.801 -5.619 7.379 1.00 0.87 H new ATOM 0 HB2 ALA A 40 11.728 -4.572 8.816 1.00 0.87 H new ATOM 0 HB3 ALA A 40 10.487 -4.431 7.548 1.00 0.87 H new ATOM 617 N GLY A 41 11.121 -3.100 4.991 1.00 0.64 N ATOM 618 CA GLY A 41 10.770 -3.069 3.578 1.00 0.79 C ATOM 619 C GLY A 41 9.359 -3.615 3.369 1.00 0.88 C ATOM 620 O GLY A 41 9.128 -4.405 2.460 1.00 1.20 O ATOM 0 H GLY A 41 10.420 -2.648 5.578 1.00 0.64 H new ATOM 0 HA2 GLY A 41 10.831 -2.047 3.204 1.00 0.79 H new ATOM 0 HA3 GLY A 41 11.485 -3.661 3.006 1.00 0.79 H new ATOM 624 N LYS A 42 8.412 -3.203 4.218 1.00 0.64 N ATOM 625 CA LYS A 42 7.033 -3.640 4.212 1.00 0.61 C ATOM 626 C LYS A 42 6.102 -2.431 4.158 1.00 0.56 C ATOM 627 O LYS A 42 6.541 -1.277 4.176 1.00 0.56 O ATOM 628 CB LYS A 42 6.766 -4.485 5.469 1.00 0.65 C ATOM 629 CG LYS A 42 6.350 -5.897 5.067 1.00 1.17 C ATOM 630 CD LYS A 42 5.667 -6.673 6.208 1.00 2.19 C ATOM 631 CE LYS A 42 4.311 -6.041 6.579 1.00 3.74 C ATOM 632 NZ LYS A 42 3.571 -6.801 7.605 1.00 5.02 N ATOM 0 H LYS A 42 8.605 -2.526 4.956 1.00 0.64 H new ATOM 0 HA LYS A 42 6.842 -4.251 3.330 1.00 0.61 H new ATOM 0 HB2 LYS A 42 7.662 -4.523 6.089 1.00 0.65 H new ATOM 0 HB3 LYS A 42 5.982 -4.023 6.069 1.00 0.65 H new ATOM 0 HG2 LYS A 42 5.671 -5.841 4.216 1.00 1.17 H new ATOM 0 HG3 LYS A 42 7.230 -6.448 4.736 1.00 1.17 H new ATOM 0 HD2 LYS A 42 5.518 -7.710 5.907 1.00 2.19 H new ATOM 0 HD3 LYS A 42 6.317 -6.685 7.083 1.00 2.19 H new ATOM 0 HE2 LYS A 42 4.478 -5.026 6.940 1.00 3.74 H new ATOM 0 HE3 LYS A 42 3.697 -5.963 5.682 1.00 3.74 H new ATOM 0 HZ1 LYS A 42 2.747 -7.262 7.169 1.00 5.02 H new ATOM 0 HZ2 LYS A 42 4.194 -7.524 8.018 1.00 5.02 H new ATOM 0 HZ3 LYS A 42 3.250 -6.153 8.352 1.00 5.02 H new ATOM 646 N ALA A 43 4.805 -2.727 4.102 1.00 0.51 N ATOM 647 CA ALA A 43 3.734 -1.785 3.915 1.00 0.43 C ATOM 648 C ALA A 43 2.497 -2.299 4.654 1.00 0.42 C ATOM 649 O ALA A 43 2.123 -3.459 4.480 1.00 0.52 O ATOM 650 CB ALA A 43 3.470 -1.685 2.411 1.00 0.49 C ATOM 0 H ALA A 43 4.468 -3.686 4.192 1.00 0.51 H new ATOM 0 HA ALA A 43 3.986 -0.800 4.309 1.00 0.43 H new ATOM 0 HB1 ALA A 43 2.661 -0.977 2.230 1.00 0.49 H new ATOM 0 HB2 ALA A 43 4.373 -1.342 1.905 1.00 0.49 H new ATOM 0 HB3 ALA A 43 3.188 -2.665 2.025 1.00 0.49 H new ATOM 656 N GLU A 44 1.882 -1.454 5.489 1.00 0.40 N ATOM 657 CA GLU A 44 0.788 -1.832 6.381 1.00 0.45 C ATOM 658 C GLU A 44 -0.347 -0.814 6.292 1.00 0.39 C ATOM 659 O GLU A 44 -0.553 -0.020 7.206 1.00 0.58 O ATOM 660 CB GLU A 44 1.316 -1.966 7.816 1.00 0.59 C ATOM 661 CG GLU A 44 2.630 -2.752 7.842 1.00 2.49 C ATOM 662 CD GLU A 44 2.788 -3.530 9.139 1.00 2.80 C ATOM 663 OE1 GLU A 44 2.697 -2.898 10.210 1.00 2.00 O ATOM 664 OE2 GLU A 44 2.941 -4.769 9.031 1.00 4.36 O ATOM 0 H GLU A 44 2.138 -0.469 5.563 1.00 0.40 H new ATOM 0 HA GLU A 44 0.385 -2.797 6.074 1.00 0.45 H new ATOM 0 HB2 GLU A 44 1.471 -0.976 8.245 1.00 0.59 H new ATOM 0 HB3 GLU A 44 0.574 -2.469 8.436 1.00 0.59 H new ATOM 0 HG2 GLU A 44 2.660 -3.440 6.997 1.00 2.49 H new ATOM 0 HG3 GLU A 44 3.468 -2.065 7.724 1.00 2.49 H new ATOM 671 N VAL A 45 -1.064 -0.822 5.172 1.00 0.41 N ATOM 672 CA VAL A 45 -2.134 0.130 4.918 1.00 0.38 C ATOM 673 C VAL A 45 -3.426 -0.390 5.574 1.00 0.41 C ATOM 674 O VAL A 45 -3.563 -1.584 5.845 1.00 0.63 O ATOM 675 CB VAL A 45 -2.194 0.455 3.404 1.00 0.56 C ATOM 676 CG1 VAL A 45 -1.800 -0.707 2.481 1.00 1.47 C ATOM 677 CG2 VAL A 45 -3.523 1.056 2.951 1.00 1.62 C ATOM 0 H VAL A 45 -0.917 -1.491 4.416 1.00 0.41 H new ATOM 0 HA VAL A 45 -1.958 1.099 5.384 1.00 0.38 H new ATOM 0 HB VAL A 45 -1.426 1.221 3.298 1.00 0.56 H new ATOM 0 HG11 VAL A 45 -1.872 -0.387 1.442 1.00 1.47 H new ATOM 0 HG12 VAL A 45 -0.776 -1.012 2.697 1.00 1.47 H new ATOM 0 HG13 VAL A 45 -2.472 -1.549 2.649 1.00 1.47 H new ATOM 0 HG21 VAL A 45 -3.486 1.255 1.880 1.00 1.62 H new ATOM 0 HG22 VAL A 45 -4.330 0.355 3.162 1.00 1.62 H new ATOM 0 HG23 VAL A 45 -3.703 1.988 3.487 1.00 1.62 H new ATOM 687 N ARG A 46 -4.354 0.517 5.899 1.00 0.33 N ATOM 688 CA ARG A 46 -5.633 0.210 6.525 1.00 0.31 C ATOM 689 C ARG A 46 -6.776 0.680 5.634 1.00 0.29 C ATOM 690 O ARG A 46 -6.729 1.802 5.129 1.00 0.35 O ATOM 691 CB ARG A 46 -5.716 0.841 7.915 1.00 0.41 C ATOM 692 CG ARG A 46 -6.986 0.356 8.625 1.00 0.48 C ATOM 693 CD ARG A 46 -7.103 0.993 10.014 1.00 0.71 C ATOM 694 NE ARG A 46 -6.049 0.496 10.913 1.00 2.41 N ATOM 695 CZ ARG A 46 -5.718 1.036 12.098 1.00 3.17 C ATOM 696 NH1 ARG A 46 -6.348 2.131 12.535 1.00 2.41 N ATOM 697 NH2 ARG A 46 -4.759 0.472 12.841 1.00 5.12 N ATOM 0 H ARG A 46 -4.226 1.514 5.726 1.00 0.33 H new ATOM 0 HA ARG A 46 -5.718 -0.870 6.647 1.00 0.31 H new ATOM 0 HB2 ARG A 46 -4.836 0.574 8.500 1.00 0.41 H new ATOM 0 HB3 ARG A 46 -5.726 1.928 7.832 1.00 0.41 H new ATOM 0 HG2 ARG A 46 -7.862 0.609 8.028 1.00 0.48 H new ATOM 0 HG3 ARG A 46 -6.966 -0.730 8.717 1.00 0.48 H new ATOM 0 HD2 ARG A 46 -7.031 2.077 9.928 1.00 0.71 H new ATOM 0 HD3 ARG A 46 -8.082 0.771 10.438 1.00 0.71 H new ATOM 0 HE ARG A 46 -5.527 -0.327 10.611 1.00 2.41 H new ATOM 0 HH11 ARG A 46 -7.081 2.558 11.969 1.00 2.41 H new ATOM 0 HH12 ARG A 46 -6.096 2.540 13.435 1.00 2.41 H new ATOM 0 HH21 ARG A 46 -4.282 -0.365 12.507 1.00 5.12 H new ATOM 0 HH22 ARG A 46 -4.505 0.879 13.741 1.00 5.12 H new ATOM 711 N TYR A 47 -7.797 -0.167 5.469 1.00 0.48 N ATOM 712 CA TYR A 47 -8.810 -0.021 4.439 1.00 0.58 C ATOM 713 C TYR A 47 -10.154 -0.607 4.892 1.00 0.50 C ATOM 714 O TYR A 47 -10.334 -0.971 6.056 1.00 0.51 O ATOM 715 CB TYR A 47 -8.296 -0.690 3.154 1.00 0.66 C ATOM 716 CG TYR A 47 -8.488 -2.196 3.076 1.00 0.61 C ATOM 717 CD1 TYR A 47 -7.935 -3.049 4.050 1.00 1.67 C ATOM 718 CD2 TYR A 47 -9.237 -2.743 2.021 1.00 1.88 C ATOM 719 CE1 TYR A 47 -8.171 -4.433 4.000 1.00 1.68 C ATOM 720 CE2 TYR A 47 -9.420 -4.129 1.940 1.00 1.95 C ATOM 721 CZ TYR A 47 -8.914 -4.974 2.940 1.00 0.82 C ATOM 722 OH TYR A 47 -9.148 -6.313 2.868 1.00 1.03 O ATOM 0 H TYR A 47 -7.938 -0.985 6.062 1.00 0.48 H new ATOM 0 HA TYR A 47 -8.990 1.036 4.245 1.00 0.58 H new ATOM 0 HB2 TYR A 47 -8.799 -0.233 2.302 1.00 0.66 H new ATOM 0 HB3 TYR A 47 -7.233 -0.471 3.052 1.00 0.66 H new ATOM 0 HD1 TYR A 47 -7.326 -2.637 4.841 1.00 1.67 H new ATOM 0 HD2 TYR A 47 -9.671 -2.096 1.273 1.00 1.88 H new ATOM 0 HE1 TYR A 47 -7.782 -5.078 4.774 1.00 1.68 H new ATOM 0 HE2 TYR A 47 -9.955 -4.551 1.102 1.00 1.95 H new ATOM 0 HH TYR A 47 -9.980 -6.525 3.340 1.00 1.03 H new ATOM 732 N ASN A 48 -11.100 -0.720 3.957 1.00 0.54 N ATOM 733 CA ASN A 48 -12.435 -1.239 4.212 1.00 0.58 C ATOM 734 C ASN A 48 -12.911 -2.075 3.023 1.00 0.56 C ATOM 735 O ASN A 48 -13.283 -1.494 2.005 1.00 0.60 O ATOM 736 CB ASN A 48 -13.380 -0.062 4.477 1.00 0.73 C ATOM 737 CG ASN A 48 -14.827 -0.521 4.621 1.00 1.26 C ATOM 738 OD1 ASN A 48 -15.093 -1.677 4.922 1.00 1.85 O ATOM 739 ND2 ASN A 48 -15.779 0.378 4.394 1.00 1.79 N ATOM 0 H ASN A 48 -10.952 -0.447 2.986 1.00 0.54 H new ATOM 0 HA ASN A 48 -12.423 -1.888 5.088 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -13.071 0.456 5.385 1.00 0.73 H new ATOM 0 HB3 ASN A 48 -13.306 0.655 3.660 1.00 0.73 H new ATOM 0 HD21 ASN A 48 -16.761 0.111 4.469 1.00 1.79 H new ATOM 0 HD22 ASN A 48 -15.528 1.335 4.145 1.00 1.79 H new ATOM 746 N PRO A 49 -12.906 -3.416 3.104 1.00 0.56 N ATOM 747 CA PRO A 49 -13.255 -4.271 1.982 1.00 0.59 C ATOM 748 C PRO A 49 -14.770 -4.291 1.753 1.00 0.65 C ATOM 749 O PRO A 49 -15.437 -5.302 1.956 1.00 0.82 O ATOM 750 CB PRO A 49 -12.679 -5.639 2.342 1.00 0.66 C ATOM 751 CG PRO A 49 -12.788 -5.672 3.865 1.00 0.68 C ATOM 752 CD PRO A 49 -12.513 -4.218 4.255 1.00 0.64 C ATOM 0 HA PRO A 49 -12.846 -3.918 1.036 1.00 0.59 H new ATOM 0 HB2 PRO A 49 -13.244 -6.448 1.880 1.00 0.66 H new ATOM 0 HB3 PRO A 49 -11.646 -5.741 2.010 1.00 0.66 H new ATOM 0 HG2 PRO A 49 -13.775 -5.999 4.193 1.00 0.68 H new ATOM 0 HG3 PRO A 49 -12.062 -6.354 4.308 1.00 0.68 H new ATOM 0 HD2 PRO A 49 -13.083 -3.936 5.140 1.00 0.64 H new ATOM 0 HD3 PRO A 49 -11.460 -4.070 4.493 1.00 0.64 H new ATOM 760 N ALA A 50 -15.298 -3.154 1.296 1.00 0.60 N ATOM 761 CA ALA A 50 -16.688 -2.948 0.936 1.00 0.73 C ATOM 762 C ALA A 50 -16.727 -2.191 -0.390 1.00 0.71 C ATOM 763 O ALA A 50 -17.278 -2.680 -1.372 1.00 0.97 O ATOM 764 CB ALA A 50 -17.393 -2.176 2.058 1.00 0.93 C ATOM 0 H ALA A 50 -14.733 -2.315 1.163 1.00 0.60 H new ATOM 0 HA ALA A 50 -17.211 -3.896 0.812 1.00 0.73 H new ATOM 0 HB1 ALA A 50 -18.438 -2.019 1.791 1.00 0.93 H new ATOM 0 HB2 ALA A 50 -17.337 -2.748 2.984 1.00 0.93 H new ATOM 0 HB3 ALA A 50 -16.906 -1.211 2.198 1.00 0.93 H new ATOM 770 N VAL A 51 -16.116 -1.002 -0.413 1.00 0.62 N ATOM 771 CA VAL A 51 -16.082 -0.120 -1.572 1.00 0.75 C ATOM 772 C VAL A 51 -14.723 -0.234 -2.274 1.00 0.65 C ATOM 773 O VAL A 51 -14.656 -0.553 -3.456 1.00 0.96 O ATOM 774 CB VAL A 51 -16.404 1.314 -1.107 1.00 0.93 C ATOM 775 CG1 VAL A 51 -16.281 2.321 -2.256 1.00 1.11 C ATOM 776 CG2 VAL A 51 -17.830 1.383 -0.542 1.00 1.29 C ATOM 0 H VAL A 51 -15.622 -0.622 0.395 1.00 0.62 H new ATOM 0 HA VAL A 51 -16.834 -0.408 -2.307 1.00 0.75 H new ATOM 0 HB VAL A 51 -15.680 1.572 -0.334 1.00 0.93 H new ATOM 0 HG11 VAL A 51 -16.515 3.321 -1.890 1.00 1.11 H new ATOM 0 HG12 VAL A 51 -15.263 2.306 -2.645 1.00 1.11 H new ATOM 0 HG13 VAL A 51 -16.977 2.053 -3.051 1.00 1.11 H new ATOM 0 HG21 VAL A 51 -18.044 2.401 -0.217 1.00 1.29 H new ATOM 0 HG22 VAL A 51 -18.542 1.091 -1.314 1.00 1.29 H new ATOM 0 HG23 VAL A 51 -17.918 0.705 0.307 1.00 1.29 H new ATOM 786 N ILE A 52 -13.641 0.037 -1.540 1.00 0.45 N ATOM 787 CA ILE A 52 -12.301 0.196 -2.104 1.00 0.60 C ATOM 788 C ILE A 52 -11.767 -1.084 -2.758 1.00 0.74 C ATOM 789 O ILE A 52 -11.062 -0.994 -3.752 1.00 1.27 O ATOM 790 CB ILE A 52 -11.341 0.785 -1.052 1.00 0.66 C ATOM 791 CG1 ILE A 52 -9.892 0.848 -1.561 1.00 0.94 C ATOM 792 CG2 ILE A 52 -11.453 0.074 0.303 1.00 0.73 C ATOM 793 CD1 ILE A 52 -8.965 1.434 -0.500 1.00 1.44 C ATOM 0 H ILE A 52 -13.672 0.153 -0.527 1.00 0.45 H new ATOM 0 HA ILE A 52 -12.371 0.912 -2.923 1.00 0.60 H new ATOM 0 HB ILE A 52 -11.657 1.815 -0.885 1.00 0.66 H new ATOM 0 HG12 ILE A 52 -9.554 -0.152 -1.832 1.00 0.94 H new ATOM 0 HG13 ILE A 52 -9.846 1.456 -2.465 1.00 0.94 H new ATOM 0 HG21 ILE A 52 -10.757 0.526 1.010 1.00 0.73 H new ATOM 0 HG22 ILE A 52 -12.470 0.172 0.683 1.00 0.73 H new ATOM 0 HG23 ILE A 52 -11.212 -0.982 0.181 1.00 0.73 H new ATOM 0 HD11 ILE A 52 -7.946 1.467 -0.885 1.00 1.44 H new ATOM 0 HD12 ILE A 52 -9.291 2.443 -0.249 1.00 1.44 H new ATOM 0 HD13 ILE A 52 -8.995 0.810 0.394 1.00 1.44 H new ATOM 805 N GLN A 53 -12.104 -2.255 -2.206 1.00 0.48 N ATOM 806 CA GLN A 53 -11.792 -3.585 -2.725 1.00 0.56 C ATOM 807 C GLN A 53 -10.303 -3.964 -2.538 1.00 0.52 C ATOM 808 O GLN A 53 -9.416 -3.314 -3.091 1.00 0.49 O ATOM 809 CB GLN A 53 -12.282 -3.748 -4.181 1.00 0.66 C ATOM 810 CG GLN A 53 -13.590 -4.547 -4.309 1.00 0.95 C ATOM 811 CD GLN A 53 -13.330 -6.037 -4.515 1.00 1.49 C ATOM 812 OE1 GLN A 53 -12.861 -6.447 -5.570 1.00 2.72 O ATOM 813 NE2 GLN A 53 -13.618 -6.872 -3.521 1.00 1.53 N ATOM 0 H GLN A 53 -12.632 -2.299 -1.335 1.00 0.48 H new ATOM 0 HA GLN A 53 -12.347 -4.306 -2.124 1.00 0.56 H new ATOM 0 HB2 GLN A 53 -12.426 -2.760 -4.619 1.00 0.66 H new ATOM 0 HB3 GLN A 53 -11.505 -4.244 -4.763 1.00 0.66 H new ATOM 0 HG2 GLN A 53 -14.192 -4.404 -3.411 1.00 0.95 H new ATOM 0 HG3 GLN A 53 -14.171 -4.161 -5.147 1.00 0.95 H new ATOM 0 HE21 GLN A 53 -14.008 -6.512 -2.650 1.00 1.53 H new ATOM 0 HE22 GLN A 53 -13.449 -7.872 -3.630 1.00 1.53 H new ATOM 822 N PRO A 54 -9.997 -5.044 -1.789 1.00 0.59 N ATOM 823 CA PRO A 54 -8.627 -5.484 -1.552 1.00 0.66 C ATOM 824 C PRO A 54 -7.781 -5.716 -2.815 1.00 0.66 C ATOM 825 O PRO A 54 -6.608 -5.338 -2.809 1.00 0.72 O ATOM 826 CB PRO A 54 -8.686 -6.714 -0.645 1.00 0.82 C ATOM 827 CG PRO A 54 -10.149 -7.150 -0.657 1.00 0.80 C ATOM 828 CD PRO A 54 -10.944 -5.939 -1.138 1.00 0.69 C ATOM 0 HA PRO A 54 -8.093 -4.669 -1.064 1.00 0.66 H new ATOM 0 HB2 PRO A 54 -8.036 -7.507 -1.014 1.00 0.82 H new ATOM 0 HB3 PRO A 54 -8.355 -6.475 0.365 1.00 0.82 H new ATOM 0 HG2 PRO A 54 -10.297 -8.002 -1.320 1.00 0.80 H new ATOM 0 HG3 PRO A 54 -10.472 -7.459 0.337 1.00 0.80 H new ATOM 0 HD2 PRO A 54 -11.728 -6.242 -1.832 1.00 0.69 H new ATOM 0 HD3 PRO A 54 -11.434 -5.441 -0.301 1.00 0.69 H new ATOM 836 N PRO A 55 -8.289 -6.323 -3.904 1.00 0.67 N ATOM 837 CA PRO A 55 -7.484 -6.438 -5.107 1.00 0.73 C ATOM 838 C PRO A 55 -7.178 -5.062 -5.707 1.00 0.70 C ATOM 839 O PRO A 55 -6.112 -4.874 -6.294 1.00 0.91 O ATOM 840 CB PRO A 55 -8.273 -7.343 -6.060 1.00 0.80 C ATOM 841 CG PRO A 55 -9.719 -7.171 -5.606 1.00 0.76 C ATOM 842 CD PRO A 55 -9.584 -6.965 -4.100 1.00 0.70 C ATOM 0 HA PRO A 55 -6.506 -6.873 -4.899 1.00 0.73 H new ATOM 0 HB2 PRO A 55 -8.141 -7.042 -7.099 1.00 0.80 H new ATOM 0 HB3 PRO A 55 -7.950 -8.381 -5.985 1.00 0.80 H new ATOM 0 HG2 PRO A 55 -10.195 -6.318 -6.089 1.00 0.76 H new ATOM 0 HG3 PRO A 55 -10.323 -8.048 -5.841 1.00 0.76 H new ATOM 0 HD2 PRO A 55 -10.392 -6.342 -3.716 1.00 0.70 H new ATOM 0 HD3 PRO A 55 -9.634 -7.915 -3.569 1.00 0.70 H new ATOM 850 N MET A 56 -8.084 -4.083 -5.564 1.00 0.54 N ATOM 851 CA MET A 56 -7.925 -2.820 -6.233 1.00 0.48 C ATOM 852 C MET A 56 -6.804 -2.025 -5.565 1.00 0.44 C ATOM 853 O MET A 56 -5.942 -1.514 -6.278 1.00 0.44 O ATOM 854 CB MET A 56 -9.285 -2.119 -6.291 1.00 0.54 C ATOM 855 CG MET A 56 -9.101 -0.620 -6.479 1.00 2.16 C ATOM 856 SD MET A 56 -10.575 0.318 -6.949 1.00 2.37 S ATOM 857 CE MET A 56 -9.811 1.929 -7.235 1.00 4.34 C ATOM 0 H MET A 56 -8.924 -4.158 -4.990 1.00 0.54 H new ATOM 0 HA MET A 56 -7.607 -2.940 -7.269 1.00 0.48 H new ATOM 0 HB2 MET A 56 -9.876 -2.525 -7.112 1.00 0.54 H new ATOM 0 HB3 MET A 56 -9.840 -2.311 -5.373 1.00 0.54 H new ATOM 0 HG2 MET A 56 -8.713 -0.204 -5.549 1.00 2.16 H new ATOM 0 HG3 MET A 56 -8.338 -0.462 -7.241 1.00 2.16 H new ATOM 0 HE1 MET A 56 -10.575 2.646 -7.537 1.00 4.34 H new ATOM 0 HE2 MET A 56 -9.333 2.273 -6.318 1.00 4.34 H new ATOM 0 HE3 MET A 56 -9.063 1.842 -8.023 1.00 4.34 H new ATOM 867 N ILE A 57 -6.773 -1.922 -4.225 1.00 0.49 N ATOM 868 CA ILE A 57 -5.634 -1.259 -3.581 1.00 0.58 C ATOM 869 C ILE A 57 -4.297 -1.840 -4.048 1.00 0.48 C ATOM 870 O ILE A 57 -3.405 -1.082 -4.428 1.00 0.52 O ATOM 871 CB ILE A 57 -5.706 -1.227 -2.041 1.00 0.91 C ATOM 872 CG1 ILE A 57 -6.716 -2.197 -1.419 1.00 0.87 C ATOM 873 CG2 ILE A 57 -6.010 0.207 -1.625 1.00 2.20 C ATOM 874 CD1 ILE A 57 -6.420 -2.441 0.062 1.00 1.07 C ATOM 0 H ILE A 57 -7.492 -2.274 -3.592 1.00 0.49 H new ATOM 0 HA ILE A 57 -5.698 -0.221 -3.907 1.00 0.58 H new ATOM 0 HB ILE A 57 -4.743 -1.568 -1.662 1.00 0.91 H new ATOM 0 HG12 ILE A 57 -7.723 -1.795 -1.528 1.00 0.87 H new ATOM 0 HG13 ILE A 57 -6.691 -3.145 -1.957 1.00 0.87 H new ATOM 0 HG21 ILE A 57 -6.068 0.266 -0.538 1.00 2.20 H new ATOM 0 HG22 ILE A 57 -5.218 0.865 -1.982 1.00 2.20 H new ATOM 0 HG23 ILE A 57 -6.962 0.517 -2.057 1.00 2.20 H new ATOM 0 HD11 ILE A 57 -7.156 -3.134 0.471 1.00 1.07 H new ATOM 0 HD12 ILE A 57 -5.422 -2.867 0.168 1.00 1.07 H new ATOM 0 HD13 ILE A 57 -6.471 -1.496 0.604 1.00 1.07 H new ATOM 886 N ALA A 58 -4.152 -3.171 -4.038 1.00 0.48 N ATOM 887 CA ALA A 58 -2.976 -3.812 -4.608 1.00 0.53 C ATOM 888 C ALA A 58 -2.651 -3.235 -5.981 1.00 0.50 C ATOM 889 O ALA A 58 -1.566 -2.694 -6.174 1.00 0.54 O ATOM 890 CB ALA A 58 -3.156 -5.329 -4.694 1.00 0.64 C ATOM 0 H ALA A 58 -4.835 -3.817 -3.642 1.00 0.48 H new ATOM 0 HA ALA A 58 -2.137 -3.609 -3.942 1.00 0.53 H new ATOM 0 HB1 ALA A 58 -2.261 -5.778 -5.124 1.00 0.64 H new ATOM 0 HB2 ALA A 58 -3.321 -5.733 -3.695 1.00 0.64 H new ATOM 0 HB3 ALA A 58 -4.015 -5.558 -5.324 1.00 0.64 H new ATOM 896 N GLU A 59 -3.569 -3.334 -6.939 1.00 0.49 N ATOM 897 CA GLU A 59 -3.296 -2.837 -8.272 1.00 0.55 C ATOM 898 C GLU A 59 -2.910 -1.356 -8.285 1.00 0.52 C ATOM 899 O GLU A 59 -1.902 -1.014 -8.897 1.00 0.59 O ATOM 900 CB GLU A 59 -4.466 -3.160 -9.179 1.00 0.65 C ATOM 901 CG GLU A 59 -4.481 -4.678 -9.439 1.00 0.90 C ATOM 902 CD GLU A 59 -5.447 -5.104 -10.532 1.00 1.25 C ATOM 903 OE1 GLU A 59 -6.442 -4.379 -10.746 1.00 2.35 O ATOM 904 OE2 GLU A 59 -5.156 -6.163 -11.131 1.00 1.86 O ATOM 0 H GLU A 59 -4.493 -3.748 -6.815 1.00 0.49 H new ATOM 0 HA GLU A 59 -2.416 -3.348 -8.661 1.00 0.55 H new ATOM 0 HB2 GLU A 59 -5.402 -2.846 -8.716 1.00 0.65 H new ATOM 0 HB3 GLU A 59 -4.377 -2.616 -10.119 1.00 0.65 H new ATOM 0 HG2 GLU A 59 -3.476 -5.001 -9.710 1.00 0.90 H new ATOM 0 HG3 GLU A 59 -4.743 -5.193 -8.515 1.00 0.90 H new ATOM 911 N PHE A 60 -3.637 -0.499 -7.563 1.00 0.49 N ATOM 912 CA PHE A 60 -3.258 0.892 -7.342 1.00 0.52 C ATOM 913 C PHE A 60 -1.781 1.037 -6.978 1.00 0.54 C ATOM 914 O PHE A 60 -1.116 1.977 -7.403 1.00 0.68 O ATOM 915 CB PHE A 60 -4.122 1.493 -6.221 1.00 0.53 C ATOM 916 CG PHE A 60 -4.664 2.861 -6.559 1.00 0.61 C ATOM 917 CD1 PHE A 60 -3.791 3.916 -6.878 1.00 2.04 C ATOM 918 CD2 PHE A 60 -6.051 3.044 -6.669 1.00 1.80 C ATOM 919 CE1 PHE A 60 -4.304 5.131 -7.358 1.00 2.11 C ATOM 920 CE2 PHE A 60 -6.564 4.262 -7.134 1.00 1.87 C ATOM 921 CZ PHE A 60 -5.692 5.305 -7.494 1.00 0.98 C ATOM 0 H PHE A 60 -4.514 -0.758 -7.112 1.00 0.49 H new ATOM 0 HA PHE A 60 -3.424 1.428 -8.276 1.00 0.52 H new ATOM 0 HB2 PHE A 60 -4.954 0.821 -6.012 1.00 0.53 H new ATOM 0 HB3 PHE A 60 -3.529 1.559 -5.309 1.00 0.53 H new ATOM 0 HD1 PHE A 60 -2.725 3.791 -6.754 1.00 2.04 H new ATOM 0 HD2 PHE A 60 -6.724 2.245 -6.395 1.00 1.80 H new ATOM 0 HE1 PHE A 60 -3.631 5.933 -7.623 1.00 2.11 H new ATOM 0 HE2 PHE A 60 -7.632 4.400 -7.216 1.00 1.87 H new ATOM 0 HZ PHE A 60 -6.087 6.236 -7.873 1.00 0.98 H new ATOM 931 N ILE A 61 -1.262 0.127 -6.155 1.00 0.48 N ATOM 932 CA ILE A 61 0.151 0.135 -5.811 1.00 0.50 C ATOM 933 C ILE A 61 0.948 -0.354 -7.023 1.00 0.53 C ATOM 934 O ILE A 61 1.925 0.267 -7.441 1.00 0.52 O ATOM 935 CB ILE A 61 0.393 -0.671 -4.521 1.00 0.51 C ATOM 936 CG1 ILE A 61 -0.361 -0.025 -3.340 1.00 0.53 C ATOM 937 CG2 ILE A 61 1.890 -0.738 -4.213 1.00 0.57 C ATOM 938 CD1 ILE A 61 -0.447 -0.955 -2.126 1.00 0.68 C ATOM 0 H ILE A 61 -1.800 -0.621 -5.718 1.00 0.48 H new ATOM 0 HA ILE A 61 0.500 1.142 -5.584 1.00 0.50 H new ATOM 0 HB ILE A 61 0.018 -1.684 -4.667 1.00 0.51 H new ATOM 0 HG12 ILE A 61 0.142 0.898 -3.052 1.00 0.53 H new ATOM 0 HG13 ILE A 61 -1.367 0.246 -3.659 1.00 0.53 H new ATOM 0 HG21 ILE A 61 2.048 -1.310 -3.299 1.00 0.57 H new ATOM 0 HG22 ILE A 61 2.410 -1.223 -5.039 1.00 0.57 H new ATOM 0 HG23 ILE A 61 2.280 0.271 -4.081 1.00 0.57 H new ATOM 0 HD11 ILE A 61 -0.987 -0.455 -1.322 1.00 0.68 H new ATOM 0 HD12 ILE A 61 -0.974 -1.868 -2.404 1.00 0.68 H new ATOM 0 HD13 ILE A 61 0.558 -1.205 -1.787 1.00 0.68 H new ATOM 950 N ARG A 62 0.539 -1.480 -7.606 1.00 0.62 N ATOM 951 CA ARG A 62 1.275 -2.080 -8.705 1.00 0.76 C ATOM 952 C ARG A 62 1.325 -1.192 -9.955 1.00 0.82 C ATOM 953 O ARG A 62 2.165 -1.450 -10.813 1.00 0.96 O ATOM 954 CB ARG A 62 0.700 -3.453 -9.085 1.00 0.86 C ATOM 955 CG ARG A 62 0.663 -4.469 -7.935 1.00 0.88 C ATOM 956 CD ARG A 62 -0.200 -5.681 -8.309 1.00 1.14 C ATOM 957 NE ARG A 62 0.535 -6.624 -9.166 1.00 1.21 N ATOM 958 CZ ARG A 62 -0.011 -7.574 -9.944 1.00 1.70 C ATOM 959 NH1 ARG A 62 -1.334 -7.618 -10.151 1.00 2.40 N ATOM 960 NH2 ARG A 62 0.783 -8.493 -10.507 1.00 2.00 N ATOM 0 H ARG A 62 -0.300 -1.992 -7.331 1.00 0.62 H new ATOM 0 HA ARG A 62 2.295 -2.198 -8.338 1.00 0.76 H new ATOM 0 HB2 ARG A 62 -0.313 -3.316 -9.465 1.00 0.86 H new ATOM 0 HB3 ARG A 62 1.293 -3.868 -9.900 1.00 0.86 H new ATOM 0 HG2 ARG A 62 1.676 -4.796 -7.700 1.00 0.88 H new ATOM 0 HG3 ARG A 62 0.264 -3.996 -7.038 1.00 0.88 H new ATOM 0 HD2 ARG A 62 -0.526 -6.190 -7.402 1.00 1.14 H new ATOM 0 HD3 ARG A 62 -1.099 -5.343 -8.825 1.00 1.14 H new ATOM 0 HE ARG A 62 1.552 -6.550 -9.170 1.00 1.21 H new ATOM 0 HH11 ARG A 62 -1.942 -6.924 -9.715 1.00 2.40 H new ATOM 0 HH12 ARG A 62 -1.733 -8.345 -10.744 1.00 2.40 H new ATOM 0 HH21 ARG A 62 1.789 -8.467 -10.343 1.00 2.00 H new ATOM 0 HH22 ARG A 62 0.382 -9.220 -11.100 1.00 2.00 H new ATOM 974 N GLU A 63 0.501 -0.140 -10.051 1.00 0.78 N ATOM 975 CA GLU A 63 0.668 0.954 -11.012 1.00 0.85 C ATOM 976 C GLU A 63 2.135 1.398 -11.134 1.00 0.89 C ATOM 977 O GLU A 63 2.572 1.833 -12.197 1.00 0.93 O ATOM 978 CB GLU A 63 -0.190 2.155 -10.579 1.00 0.86 C ATOM 979 CG GLU A 63 -1.696 1.925 -10.752 1.00 2.14 C ATOM 980 CD GLU A 63 -2.118 2.052 -12.210 1.00 3.40 C ATOM 981 OE1 GLU A 63 -2.336 3.208 -12.632 1.00 3.22 O ATOM 982 OE2 GLU A 63 -2.196 0.999 -12.877 1.00 5.08 O ATOM 0 H GLU A 63 -0.315 -0.025 -9.450 1.00 0.78 H new ATOM 0 HA GLU A 63 0.347 0.587 -11.987 1.00 0.85 H new ATOM 0 HB2 GLU A 63 0.017 2.381 -9.533 1.00 0.86 H new ATOM 0 HB3 GLU A 63 0.105 3.030 -11.159 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -1.958 0.934 -10.382 1.00 2.14 H new ATOM 0 HG3 GLU A 63 -2.247 2.647 -10.149 1.00 2.14 H new ATOM 989 N LEU A 64 2.911 1.280 -10.052 1.00 0.90 N ATOM 990 CA LEU A 64 4.297 1.733 -10.005 1.00 0.94 C ATOM 991 C LEU A 64 5.245 0.713 -10.652 1.00 0.91 C ATOM 992 O LEU A 64 6.403 1.023 -10.920 1.00 0.98 O ATOM 993 CB LEU A 64 4.703 1.896 -8.539 1.00 1.13 C ATOM 994 CG LEU A 64 3.744 2.773 -7.717 1.00 0.99 C ATOM 995 CD1 LEU A 64 3.809 2.337 -6.255 1.00 1.41 C ATOM 996 CD2 LEU A 64 4.086 4.260 -7.851 1.00 1.19 C ATOM 0 H LEU A 64 2.588 0.863 -9.179 1.00 0.90 H new ATOM 0 HA LEU A 64 4.370 2.673 -10.552 1.00 0.94 H new ATOM 0 HB2 LEU A 64 4.763 0.910 -8.078 1.00 1.13 H new ATOM 0 HB3 LEU A 64 5.702 2.329 -8.496 1.00 1.13 H new ATOM 0 HG LEU A 64 2.731 2.642 -8.099 1.00 0.99 H new ATOM 0 HD11 LEU A 64 3.133 2.952 -5.661 1.00 1.41 H new ATOM 0 HD12 LEU A 64 3.514 1.291 -6.174 1.00 1.41 H new ATOM 0 HD13 LEU A 64 4.827 2.456 -5.885 1.00 1.41 H new ATOM 0 HD21 LEU A 64 3.387 4.849 -7.257 1.00 1.19 H new ATOM 0 HD22 LEU A 64 5.101 4.433 -7.495 1.00 1.19 H new ATOM 0 HD23 LEU A 64 4.013 4.557 -8.897 1.00 1.19 H new ATOM 1008 N GLY A 65 4.770 -0.517 -10.870 1.00 0.85 N ATOM 1009 CA GLY A 65 5.543 -1.612 -11.437 1.00 0.86 C ATOM 1010 C GLY A 65 6.439 -2.278 -10.392 1.00 0.85 C ATOM 1011 O GLY A 65 7.438 -2.900 -10.744 1.00 0.92 O ATOM 0 H GLY A 65 3.810 -0.780 -10.649 1.00 0.85 H new ATOM 0 HA2 GLY A 65 4.866 -2.354 -11.860 1.00 0.86 H new ATOM 0 HA3 GLY A 65 6.157 -1.237 -12.256 1.00 0.86 H new ATOM 1015 N PHE A 66 6.089 -2.160 -9.108 1.00 0.85 N ATOM 1016 CA PHE A 66 6.854 -2.744 -8.011 1.00 0.88 C ATOM 1017 C PHE A 66 6.317 -4.142 -7.700 1.00 0.83 C ATOM 1018 O PHE A 66 5.145 -4.431 -7.946 1.00 0.81 O ATOM 1019 CB PHE A 66 6.775 -1.839 -6.773 1.00 0.89 C ATOM 1020 CG PHE A 66 7.226 -0.394 -6.936 1.00 0.80 C ATOM 1021 CD1 PHE A 66 7.981 0.030 -8.049 1.00 1.78 C ATOM 1022 CD2 PHE A 66 6.938 0.526 -5.909 1.00 2.31 C ATOM 1023 CE1 PHE A 66 8.376 1.372 -8.167 1.00 2.19 C ATOM 1024 CE2 PHE A 66 7.377 1.858 -6.006 1.00 2.88 C ATOM 1025 CZ PHE A 66 8.071 2.288 -7.147 1.00 2.29 C ATOM 0 H PHE A 66 5.259 -1.652 -8.802 1.00 0.85 H new ATOM 0 HA PHE A 66 7.901 -2.829 -8.302 1.00 0.88 H new ATOM 0 HB2 PHE A 66 5.742 -1.833 -6.425 1.00 0.89 H new ATOM 0 HB3 PHE A 66 7.375 -2.293 -5.984 1.00 0.89 H new ATOM 0 HD1 PHE A 66 8.257 -0.681 -8.814 1.00 1.78 H new ATOM 0 HD2 PHE A 66 6.377 0.207 -5.043 1.00 2.31 H new ATOM 0 HE1 PHE A 66 8.915 1.700 -9.043 1.00 2.19 H new ATOM 0 HE2 PHE A 66 7.180 2.551 -5.201 1.00 2.88 H new ATOM 0 HZ PHE A 66 8.370 3.321 -7.241 1.00 2.29 H new ATOM 1035 N GLY A 67 7.151 -5.005 -7.111 1.00 0.84 N ATOM 1036 CA GLY A 67 6.788 -6.391 -6.851 1.00 0.81 C ATOM 1037 C GLY A 67 5.969 -6.485 -5.568 1.00 0.77 C ATOM 1038 O GLY A 67 6.387 -7.122 -4.604 1.00 0.94 O ATOM 0 H GLY A 67 8.092 -4.758 -6.804 1.00 0.84 H new ATOM 0 HA2 GLY A 67 6.214 -6.788 -7.688 1.00 0.81 H new ATOM 0 HA3 GLY A 67 7.687 -7.001 -6.763 1.00 0.81 H new ATOM 1042 N ALA A 68 4.807 -5.832 -5.560 1.00 0.66 N ATOM 1043 CA ALA A 68 3.924 -5.789 -4.408 1.00 0.56 C ATOM 1044 C ALA A 68 3.064 -7.053 -4.370 1.00 0.43 C ATOM 1045 O ALA A 68 2.804 -7.661 -5.408 1.00 0.48 O ATOM 1046 CB ALA A 68 3.051 -4.533 -4.484 1.00 0.62 C ATOM 0 H ALA A 68 4.454 -5.314 -6.365 1.00 0.66 H new ATOM 0 HA ALA A 68 4.512 -5.749 -3.491 1.00 0.56 H new ATOM 0 HB1 ALA A 68 2.387 -4.498 -3.620 1.00 0.62 H new ATOM 0 HB2 ALA A 68 3.687 -3.648 -4.489 1.00 0.62 H new ATOM 0 HB3 ALA A 68 2.457 -4.558 -5.397 1.00 0.62 H new ATOM 1052 N THR A 69 2.615 -7.450 -3.179 1.00 0.44 N ATOM 1053 CA THR A 69 1.812 -8.637 -2.969 1.00 0.54 C ATOM 1054 C THR A 69 1.032 -8.383 -1.686 1.00 0.48 C ATOM 1055 O THR A 69 1.621 -8.104 -0.641 1.00 0.57 O ATOM 1056 CB THR A 69 2.656 -9.921 -2.977 1.00 0.82 C ATOM 1057 OG1 THR A 69 1.908 -10.995 -2.449 1.00 1.61 O ATOM 1058 CG2 THR A 69 3.945 -9.750 -2.189 1.00 1.02 C ATOM 0 H THR A 69 2.809 -6.938 -2.319 1.00 0.44 H new ATOM 0 HA THR A 69 1.113 -8.815 -3.787 1.00 0.54 H new ATOM 0 HB THR A 69 2.923 -10.137 -4.012 1.00 0.82 H new ATOM 0 HG1 THR A 69 2.453 -11.809 -2.459 1.00 1.61 H new ATOM 0 HG21 THR A 69 4.515 -10.679 -2.218 1.00 1.02 H new ATOM 0 HG22 THR A 69 4.537 -8.947 -2.629 1.00 1.02 H new ATOM 0 HG23 THR A 69 3.709 -9.501 -1.154 1.00 1.02 H new ATOM 1066 N VAL A 70 -0.294 -8.345 -1.804 1.00 0.50 N ATOM 1067 CA VAL A 70 -1.188 -7.963 -0.728 1.00 0.43 C ATOM 1068 C VAL A 70 -1.678 -9.217 -0.026 1.00 0.48 C ATOM 1069 O VAL A 70 -2.052 -10.187 -0.683 1.00 0.60 O ATOM 1070 CB VAL A 70 -2.310 -7.084 -1.289 1.00 0.48 C ATOM 1071 CG1 VAL A 70 -3.219 -7.803 -2.300 1.00 0.59 C ATOM 1072 CG2 VAL A 70 -3.207 -6.543 -0.166 1.00 0.55 C ATOM 0 H VAL A 70 -0.780 -8.584 -2.668 1.00 0.50 H new ATOM 0 HA VAL A 70 -0.677 -7.362 0.024 1.00 0.43 H new ATOM 0 HB VAL A 70 -1.791 -6.276 -1.805 1.00 0.48 H new ATOM 0 HG11 VAL A 70 -3.988 -7.115 -2.651 1.00 0.59 H new ATOM 0 HG12 VAL A 70 -2.623 -8.144 -3.147 1.00 0.59 H new ATOM 0 HG13 VAL A 70 -3.691 -8.660 -1.820 1.00 0.59 H new ATOM 0 HG21 VAL A 70 -3.994 -5.923 -0.596 1.00 0.55 H new ATOM 0 HG22 VAL A 70 -3.656 -7.376 0.374 1.00 0.55 H new ATOM 0 HG23 VAL A 70 -2.609 -5.945 0.522 1.00 0.55 H new ATOM 1082 N ILE A 71 -1.644 -9.203 1.304 1.00 0.49 N ATOM 1083 CA ILE A 71 -2.102 -10.300 2.126 1.00 0.62 C ATOM 1084 C ILE A 71 -2.963 -9.758 3.267 1.00 0.68 C ATOM 1085 O ILE A 71 -2.914 -8.570 3.609 1.00 0.59 O ATOM 1086 CB ILE A 71 -0.930 -11.178 2.590 1.00 0.77 C ATOM 1087 CG1 ILE A 71 -0.030 -10.481 3.616 1.00 1.01 C ATOM 1088 CG2 ILE A 71 -0.089 -11.662 1.399 1.00 1.50 C ATOM 1089 CD1 ILE A 71 0.579 -11.530 4.538 1.00 1.36 C ATOM 0 H ILE A 71 -1.290 -8.412 1.842 1.00 0.49 H new ATOM 0 HA ILE A 71 -2.735 -10.964 1.538 1.00 0.62 H new ATOM 0 HB ILE A 71 -1.380 -12.039 3.084 1.00 0.77 H new ATOM 0 HG12 ILE A 71 0.757 -9.924 3.109 1.00 1.01 H new ATOM 0 HG13 ILE A 71 -0.608 -9.761 4.195 1.00 1.01 H new ATOM 0 HG21 ILE A 71 0.732 -12.281 1.761 1.00 1.50 H new ATOM 0 HG22 ILE A 71 -0.715 -12.247 0.726 1.00 1.50 H new ATOM 0 HG23 ILE A 71 0.313 -10.802 0.864 1.00 1.50 H new ATOM 0 HD11 ILE A 71 1.221 -11.041 5.271 1.00 1.36 H new ATOM 0 HD12 ILE A 71 -0.217 -12.067 5.054 1.00 1.36 H new ATOM 0 HD13 ILE A 71 1.169 -12.233 3.950 1.00 1.36 H new ATOM 1101 N GLU A 72 -3.753 -10.665 3.831 1.00 1.06 N ATOM 1102 CA GLU A 72 -4.693 -10.452 4.912 1.00 1.27 C ATOM 1103 C GLU A 72 -4.279 -11.350 6.079 1.00 1.39 C ATOM 1104 O GLU A 72 -3.308 -12.101 5.975 1.00 2.35 O ATOM 1105 CB GLU A 72 -6.102 -10.734 4.371 1.00 2.43 C ATOM 1106 CG GLU A 72 -6.290 -12.176 3.852 1.00 3.47 C ATOM 1107 CD GLU A 72 -7.242 -12.290 2.661 1.00 4.68 C ATOM 1108 OE1 GLU A 72 -7.789 -11.248 2.240 1.00 5.34 O ATOM 1109 OE2 GLU A 72 -7.374 -13.432 2.172 1.00 5.42 O ATOM 0 H GLU A 72 -3.749 -11.636 3.518 1.00 1.06 H new ATOM 0 HA GLU A 72 -4.695 -9.428 5.287 1.00 1.27 H new ATOM 0 HB2 GLU A 72 -6.829 -10.543 5.160 1.00 2.43 H new ATOM 0 HB3 GLU A 72 -6.318 -10.035 3.563 1.00 2.43 H new ATOM 0 HG2 GLU A 72 -5.318 -12.578 3.566 1.00 3.47 H new ATOM 0 HG3 GLU A 72 -6.666 -12.798 4.665 1.00 3.47 H new ATOM 1116 N ASN A 73 -4.985 -11.253 7.206 1.00 1.70 N ATOM 1117 CA ASN A 73 -4.659 -12.006 8.415 1.00 2.77 C ATOM 1118 C ASN A 73 -5.905 -12.170 9.273 1.00 2.85 C ATOM 1119 O ASN A 73 -6.215 -13.276 9.706 1.00 3.87 O ATOM 1120 CB ASN A 73 -3.565 -11.299 9.233 1.00 3.76 C ATOM 1121 CG ASN A 73 -2.151 -11.567 8.726 1.00 4.25 C ATOM 1122 OD1 ASN A 73 -1.459 -10.652 8.293 1.00 4.82 O ATOM 1123 ND2 ASN A 73 -1.685 -12.809 8.824 1.00 4.74 N ATOM 0 H ASN A 73 -5.801 -10.648 7.305 1.00 1.70 H new ATOM 0 HA ASN A 73 -4.286 -12.984 8.112 1.00 2.77 H new ATOM 0 HB2 ASN A 73 -3.749 -10.225 9.218 1.00 3.76 H new ATOM 0 HB3 ASN A 73 -3.636 -11.620 10.272 1.00 3.76 H new ATOM 0 HD21 ASN A 73 -0.730 -13.020 8.535 1.00 4.74 H new ATOM 0 HD22 ASN A 73 -2.283 -13.551 9.188 1.00 4.74 H new ATOM 1130 N ILE A 74 -6.598 -11.060 9.543 1.00 2.42 N ATOM 1131 CA ILE A 74 -7.851 -11.049 10.276 1.00 2.52 C ATOM 1132 C ILE A 74 -8.830 -10.138 9.540 1.00 2.24 C ATOM 1133 O ILE A 74 -8.412 -9.138 8.956 1.00 2.63 O ATOM 1134 CB ILE A 74 -7.638 -10.592 11.733 1.00 3.19 C ATOM 1135 CG1 ILE A 74 -6.930 -9.227 11.842 1.00 3.97 C ATOM 1136 CG2 ILE A 74 -6.859 -11.659 12.517 1.00 3.92 C ATOM 1137 CD1 ILE A 74 -7.189 -8.568 13.200 1.00 4.95 C ATOM 0 H ILE A 74 -6.292 -10.132 9.250 1.00 2.42 H new ATOM 0 HA ILE A 74 -8.261 -12.058 10.324 1.00 2.52 H new ATOM 0 HB ILE A 74 -8.629 -10.466 12.169 1.00 3.19 H new ATOM 0 HG12 ILE A 74 -5.858 -9.360 11.699 1.00 3.97 H new ATOM 0 HG13 ILE A 74 -7.279 -8.570 11.045 1.00 3.97 H new ATOM 0 HG21 ILE A 74 -6.716 -11.323 13.544 1.00 3.92 H new ATOM 0 HG22 ILE A 74 -7.420 -12.594 12.516 1.00 3.92 H new ATOM 0 HG23 ILE A 74 -5.888 -11.818 12.048 1.00 3.92 H new ATOM 0 HD11 ILE A 74 -6.675 -7.608 13.242 1.00 4.95 H new ATOM 0 HD12 ILE A 74 -8.260 -8.413 13.331 1.00 4.95 H new ATOM 0 HD13 ILE A 74 -6.817 -9.214 13.995 1.00 4.95 H new ATOM 1149 N GLU A 75 -10.114 -10.497 9.590 1.00 2.28 N ATOM 1150 CA GLU A 75 -11.224 -9.760 8.997 1.00 2.58 C ATOM 1151 C GLU A 75 -12.200 -9.247 10.064 1.00 3.26 C ATOM 1152 O GLU A 75 -13.247 -8.688 9.743 1.00 4.42 O ATOM 1153 CB GLU A 75 -11.953 -10.715 8.053 1.00 3.23 C ATOM 1154 CG GLU A 75 -11.097 -11.118 6.846 1.00 3.77 C ATOM 1155 CD GLU A 75 -11.760 -12.272 6.110 1.00 4.88 C ATOM 1156 OE1 GLU A 75 -11.492 -13.422 6.522 1.00 5.67 O ATOM 1157 OE2 GLU A 75 -12.559 -11.980 5.197 1.00 5.65 O ATOM 0 H GLU A 75 -10.418 -11.346 10.066 1.00 2.28 H new ATOM 0 HA GLU A 75 -10.839 -8.889 8.467 1.00 2.58 H new ATOM 0 HB2 GLU A 75 -12.245 -11.610 8.602 1.00 3.23 H new ATOM 0 HB3 GLU A 75 -12.871 -10.243 7.702 1.00 3.23 H new ATOM 0 HG2 GLU A 75 -10.975 -10.268 6.175 1.00 3.77 H new ATOM 0 HG3 GLU A 75 -10.100 -11.409 7.176 1.00 3.77 H new ATOM 1164 N GLY A 76 -11.869 -9.479 11.334 1.00 3.69 N ATOM 1165 CA GLY A 76 -12.793 -9.443 12.446 1.00 4.85 C ATOM 1166 C GLY A 76 -12.992 -10.882 12.912 1.00 6.04 C ATOM 1167 O GLY A 76 -13.137 -11.793 12.097 1.00 7.24 O ATOM 0 H GLY A 76 -10.915 -9.704 11.617 1.00 3.69 H new ATOM 0 HA2 GLY A 76 -12.399 -8.828 13.255 1.00 4.85 H new ATOM 0 HA3 GLY A 76 -13.743 -9.001 12.143 1.00 4.85 H new ATOM 1171 N ARG A 77 -12.949 -11.088 14.223 1.00 6.22 N ATOM 1172 CA ARG A 77 -13.335 -12.315 14.889 1.00 7.53 C ATOM 1173 C ARG A 77 -13.965 -11.876 16.208 1.00 8.49 C ATOM 1174 O ARG A 77 -13.686 -10.712 16.585 1.00 8.45 O ATOM 1175 CB ARG A 77 -12.104 -13.203 15.130 1.00 7.83 C ATOM 1176 CG ARG A 77 -12.503 -14.676 15.293 1.00 8.82 C ATOM 1177 CD ARG A 77 -12.667 -15.334 13.917 1.00 9.15 C ATOM 1178 NE ARG A 77 -13.309 -16.653 14.027 1.00 10.35 N ATOM 1179 CZ ARG A 77 -13.504 -17.490 12.995 1.00 11.35 C ATOM 1180 NH1 ARG A 77 -13.055 -17.159 11.779 1.00 11.50 N ATOM 1181 NH2 ARG A 77 -14.146 -18.648 13.184 1.00 12.51 N ATOM 1182 OXT ARG A 77 -14.699 -12.695 16.798 1.00 9.70 O ATOM 0 H ARG A 77 -12.630 -10.371 14.874 1.00 6.22 H new ATOM 0 HA ARG A 77 -14.030 -12.906 14.293 1.00 7.53 H new ATOM 0 HB2 ARG A 77 -11.411 -13.102 14.295 1.00 7.83 H new ATOM 0 HB3 ARG A 77 -11.578 -12.865 16.023 1.00 7.83 H new ATOM 0 HG2 ARG A 77 -11.744 -15.205 15.869 1.00 8.82 H new ATOM 0 HG3 ARG A 77 -13.436 -14.748 15.853 1.00 8.82 H new ATOM 0 HD2 ARG A 77 -13.264 -14.689 13.272 1.00 9.15 H new ATOM 0 HD3 ARG A 77 -11.691 -15.441 13.444 1.00 9.15 H new ATOM 0 HE ARG A 77 -13.627 -16.952 14.949 1.00 10.35 H new ATOM 0 HH11 ARG A 77 -12.567 -16.274 11.639 1.00 11.50 H new ATOM 0 HH12 ARG A 77 -13.201 -17.791 10.992 1.00 11.50 H new ATOM 0 HH21 ARG A 77 -14.488 -18.896 14.112 1.00 12.51 H new ATOM 0 HH22 ARG A 77 -14.294 -19.283 12.400 1.00 12.51 H new TER 1196 ARG A 77