USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 81 LYS NZ :NH3+ -147:sc= -0.421! (180deg=-0.806!) USER MOD Set 1.2: A 88 HIS :FLIP no HD1:sc= 0.015 F(o=-1.7,f=-0.41) USER MOD Set 2.1: A 50 ASN : amide:sc= 1.11 K(o=0.19,f=-11!) USER MOD Set 2.2: A 58 THR OG1 : rot -110:sc= -0.919 USER MOD Set 3.1: A 27 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot 77:sc= 1.73 USER MOD Set 4.2: A 31 TYR OH : rot -2:sc= 0.503 USER MOD Set 5.1: A 10 THR OG1 : rot 33:sc= 0.271 USER MOD Set 5.2: A 14 CYS SG : rot -84:sc= 0.893 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-0.206) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.152 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= -1.54! USER MOD Single : A 11 THR OG1 : rot -50:sc= 0.343 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -97:sc= 0.0211 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.274 (180deg=0.199) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.1 USER MOD Single : A 38 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 39 ASN : amide:sc= 0.037 K(o=0.037,f=-0.56) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0371 X(o=0.037,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 114:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -88:sc= 0.867 USER MOD Single : A 69 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.91) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.238 (180deg=0.234) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.171 11.045 6.896 1.00 0.00 N ATOM 2 CA MET A 1 11.773 9.725 7.018 1.00 0.00 C ATOM 3 C MET A 1 10.670 8.723 7.281 1.00 0.00 C ATOM 4 O MET A 1 9.605 9.100 7.771 1.00 0.00 O ATOM 5 CB MET A 1 12.822 9.709 8.154 1.00 0.00 C ATOM 6 CG MET A 1 13.582 8.393 8.298 1.00 0.00 C ATOM 7 SD MET A 1 14.350 7.872 6.744 1.00 0.00 S ATOM 8 CE MET A 1 15.201 6.385 7.272 1.00 0.00 C ATOM 0 H1 MET A 1 11.231 11.364 5.908 1.00 0.00 H new ATOM 0 H2 MET A 1 10.173 10.999 7.185 1.00 0.00 H new ATOM 0 H3 MET A 1 11.678 11.716 7.508 1.00 0.00 H new ATOM 0 HA MET A 1 12.292 9.463 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.540 10.511 7.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.321 9.929 9.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.351 8.502 9.063 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.898 7.617 8.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.238 6.421 6.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.173 6.316 8.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.711 5.512 6.841 1.00 0.00 H new ATOM 20 N VAL A 2 10.907 7.466 6.936 1.00 0.00 N ATOM 21 CA VAL A 2 9.921 6.413 7.098 1.00 0.00 C ATOM 22 C VAL A 2 9.555 6.108 8.563 1.00 0.00 C ATOM 23 O VAL A 2 10.149 5.259 9.217 1.00 0.00 O ATOM 24 CB VAL A 2 10.283 5.106 6.317 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.161 5.341 4.825 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.702 4.627 6.644 1.00 0.00 C ATOM 0 H VAL A 2 11.790 7.149 6.536 1.00 0.00 H new ATOM 0 HA VAL A 2 9.020 6.825 6.643 1.00 0.00 H new ATOM 0 HB VAL A 2 9.582 4.332 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.415 4.426 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.138 5.630 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.842 6.137 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.917 3.718 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.419 5.401 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.780 4.422 7.712 1.00 0.00 H new ATOM 36 N THR A 3 8.637 6.885 9.084 1.00 0.00 N ATOM 37 CA THR A 3 8.053 6.621 10.377 1.00 0.00 C ATOM 38 C THR A 3 6.759 5.833 10.127 1.00 0.00 C ATOM 39 O THR A 3 6.204 5.189 11.009 1.00 0.00 O ATOM 40 CB THR A 3 7.784 7.949 11.166 1.00 0.00 C ATOM 41 OG1 THR A 3 7.311 7.674 12.491 1.00 0.00 O ATOM 42 CG2 THR A 3 6.782 8.848 10.444 1.00 0.00 C ATOM 0 H THR A 3 8.273 7.719 8.623 1.00 0.00 H new ATOM 0 HA THR A 3 8.736 6.042 10.999 1.00 0.00 H new ATOM 0 HB THR A 3 8.736 8.476 11.226 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.152 8.518 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.624 9.757 11.025 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.171 9.109 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.835 8.320 10.332 1.00 0.00 H new ATOM 50 N ALA A 4 6.318 5.915 8.894 1.00 0.00 N ATOM 51 CA ALA A 4 5.210 5.191 8.365 1.00 0.00 C ATOM 52 C ALA A 4 5.595 4.892 6.936 1.00 0.00 C ATOM 53 O ALA A 4 5.622 5.797 6.102 1.00 0.00 O ATOM 54 CB ALA A 4 3.930 6.023 8.432 1.00 0.00 C ATOM 0 H ALA A 4 6.754 6.526 8.203 1.00 0.00 H new ATOM 0 HA ALA A 4 5.003 4.282 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.100 5.447 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.716 6.279 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.059 6.937 7.852 1.00 0.00 H new ATOM 60 N ALA A 5 5.993 3.670 6.692 1.00 0.00 N ATOM 61 CA ALA A 5 6.510 3.253 5.402 1.00 0.00 C ATOM 62 C ALA A 5 5.453 3.335 4.302 1.00 0.00 C ATOM 63 O ALA A 5 5.652 4.015 3.276 1.00 0.00 O ATOM 64 CB ALA A 5 7.074 1.845 5.512 1.00 0.00 C ATOM 0 H ALA A 5 5.969 2.924 7.387 1.00 0.00 H new ATOM 0 HA ALA A 5 7.307 3.941 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.462 1.532 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.879 1.832 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.286 1.161 5.825 1.00 0.00 H new ATOM 70 N LEU A 6 4.345 2.662 4.512 1.00 0.00 N ATOM 71 CA LEU A 6 3.282 2.637 3.539 1.00 0.00 C ATOM 72 C LEU A 6 1.932 2.547 4.225 1.00 0.00 C ATOM 73 O LEU A 6 1.773 1.813 5.195 1.00 0.00 O ATOM 74 CB LEU A 6 3.456 1.507 2.480 1.00 0.00 C ATOM 75 CG LEU A 6 3.506 0.035 2.971 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.299 -0.911 1.812 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.834 -0.287 3.617 1.00 0.00 C ATOM 0 H LEU A 6 4.158 2.121 5.356 1.00 0.00 H new ATOM 0 HA LEU A 6 3.332 3.577 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.636 1.591 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.377 1.705 1.931 1.00 0.00 H new ATOM 0 HG LEU A 6 2.711 -0.087 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.337 -1.940 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.327 -0.721 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.084 -0.756 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.835 -1.325 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.636 -0.137 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.990 0.368 4.474 1.00 0.00 H new ATOM 89 N THR A 7 0.995 3.308 3.726 1.00 0.00 N ATOM 90 CA THR A 7 -0.337 3.403 4.252 1.00 0.00 C ATOM 91 C THR A 7 -1.317 2.673 3.315 1.00 0.00 C ATOM 92 O THR A 7 -1.538 3.094 2.171 1.00 0.00 O ATOM 93 CB THR A 7 -0.740 4.889 4.351 1.00 0.00 C ATOM 94 OG1 THR A 7 0.325 5.625 4.993 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.020 5.055 5.163 1.00 0.00 C ATOM 0 H THR A 7 1.146 3.901 2.910 1.00 0.00 H new ATOM 0 HA THR A 7 -0.370 2.944 5.240 1.00 0.00 H new ATOM 0 HB THR A 7 -0.915 5.269 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.076 6.571 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.282 6.112 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.829 4.505 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.865 4.667 6.170 1.00 0.00 H new ATOM 103 N ILE A 8 -1.859 1.588 3.796 1.00 0.00 N ATOM 104 CA ILE A 8 -2.796 0.767 3.056 1.00 0.00 C ATOM 105 C ILE A 8 -4.245 1.226 3.257 1.00 0.00 C ATOM 106 O ILE A 8 -4.682 1.456 4.392 1.00 0.00 O ATOM 107 CB ILE A 8 -2.663 -0.725 3.488 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.363 -1.338 2.980 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.848 -1.548 3.029 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.097 -2.726 3.499 1.00 0.00 C ATOM 0 H ILE A 8 -1.662 1.237 4.733 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.551 0.872 1.999 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.645 -0.739 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.388 -1.367 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.533 -0.690 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.719 -2.582 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.762 -1.145 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.918 -1.511 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.154 -3.092 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.038 -2.702 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.906 -3.390 3.194 1.00 0.00 H new ATOM 122 N TYR A 9 -4.958 1.358 2.149 1.00 0.00 N ATOM 123 CA TYR A 9 -6.375 1.654 2.144 1.00 0.00 C ATOM 124 C TYR A 9 -7.133 0.451 1.642 1.00 0.00 C ATOM 125 O TYR A 9 -7.072 0.137 0.445 1.00 0.00 O ATOM 126 CB TYR A 9 -6.708 2.804 1.209 1.00 0.00 C ATOM 127 CG TYR A 9 -6.089 4.114 1.534 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.476 4.829 2.650 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.153 4.665 0.693 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.941 6.070 2.915 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.614 5.879 0.948 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.009 6.591 2.055 1.00 0.00 C ATOM 133 OH TYR A 9 -4.474 7.835 2.290 1.00 0.00 O ATOM 0 H TYR A 9 -4.558 1.260 1.216 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.652 1.919 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.406 2.523 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.790 2.931 1.194 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.208 4.409 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.842 4.120 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.251 6.625 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.871 6.290 0.280 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.458 8.007 3.255 1.00 0.00 H new ATOM 143 N THR A 10 -7.763 -0.268 2.535 1.00 0.00 N ATOM 144 CA THR A 10 -8.593 -1.373 2.141 1.00 0.00 C ATOM 145 C THR A 10 -9.472 -1.794 3.301 1.00 0.00 C ATOM 146 O THR A 10 -9.056 -1.703 4.465 1.00 0.00 O ATOM 147 CB THR A 10 -7.737 -2.592 1.622 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.557 -3.594 0.991 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.936 -3.257 2.738 1.00 0.00 C ATOM 0 H THR A 10 -7.716 -0.106 3.541 1.00 0.00 H new ATOM 0 HA THR A 10 -9.222 -1.045 1.313 1.00 0.00 H new ATOM 0 HB THR A 10 -7.047 -2.171 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.314 -3.162 0.543 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.364 -4.090 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.254 -2.530 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.617 -3.626 3.504 1.00 0.00 H new ATOM 157 N THR A 11 -10.679 -2.171 3.003 1.00 0.00 N ATOM 158 CA THR A 11 -11.502 -2.818 3.960 1.00 0.00 C ATOM 159 C THR A 11 -11.476 -4.301 3.580 1.00 0.00 C ATOM 160 O THR A 11 -11.191 -4.628 2.417 1.00 0.00 O ATOM 161 CB THR A 11 -12.938 -2.242 3.960 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.862 -0.833 4.115 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.758 -2.780 5.123 1.00 0.00 C ATOM 0 H THR A 11 -11.113 -2.036 2.090 1.00 0.00 H new ATOM 0 HA THR A 11 -11.138 -2.664 4.976 1.00 0.00 H new ATOM 0 HB THR A 11 -13.413 -2.528 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.287 -0.618 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.760 -2.353 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.823 -3.866 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.279 -2.507 6.063 1.00 0.00 H new ATOM 171 N SER A 12 -11.731 -5.177 4.513 1.00 0.00 N ATOM 172 CA SER A 12 -11.617 -6.619 4.316 1.00 0.00 C ATOM 173 C SER A 12 -12.585 -7.221 3.252 1.00 0.00 C ATOM 174 O SER A 12 -12.496 -8.416 2.934 1.00 0.00 O ATOM 175 CB SER A 12 -11.819 -7.278 5.646 1.00 0.00 C ATOM 176 OG SER A 12 -10.932 -6.725 6.617 1.00 0.00 O ATOM 0 H SER A 12 -12.030 -4.917 5.453 1.00 0.00 H new ATOM 0 HA SER A 12 -10.624 -6.812 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.851 -7.146 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.647 -8.351 5.557 1.00 0.00 H new ATOM 0 HG SER A 12 -11.077 -7.165 7.481 1.00 0.00 H new ATOM 182 N TRP A 13 -13.486 -6.416 2.692 1.00 0.00 N ATOM 183 CA TRP A 13 -14.381 -6.915 1.654 1.00 0.00 C ATOM 184 C TRP A 13 -13.667 -7.018 0.317 1.00 0.00 C ATOM 185 O TRP A 13 -14.180 -7.624 -0.629 1.00 0.00 O ATOM 186 CB TRP A 13 -15.677 -6.093 1.535 1.00 0.00 C ATOM 187 CG TRP A 13 -15.495 -4.615 1.323 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.550 -3.661 2.277 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.261 -3.923 0.080 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.352 -2.428 1.728 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.176 -2.555 0.383 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.112 -4.326 -1.251 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -14.951 -1.586 -0.589 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.891 -3.367 -2.215 1.00 0.00 C ATOM 195 CH2 TRP A 13 -14.810 -2.009 -1.879 1.00 0.00 C ATOM 0 H TRP A 13 -13.614 -5.434 2.935 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.681 -7.918 1.959 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.263 -6.491 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.264 -6.242 2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.726 -3.848 3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.338 -1.548 2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.169 -5.371 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -14.890 -0.539 -0.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.778 -3.667 -3.246 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.632 -1.282 -2.657 1.00 0.00 H new ATOM 206 N CYS A 14 -12.507 -6.407 0.229 1.00 0.00 N ATOM 207 CA CYS A 14 -11.697 -6.497 -0.953 1.00 0.00 C ATOM 208 C CYS A 14 -11.013 -7.862 -0.963 1.00 0.00 C ATOM 209 O CYS A 14 -10.650 -8.370 0.088 1.00 0.00 O ATOM 210 CB CYS A 14 -10.664 -5.376 -0.953 1.00 0.00 C ATOM 211 SG CYS A 14 -11.380 -3.719 -0.808 1.00 0.00 S ATOM 0 H CYS A 14 -12.105 -5.838 0.974 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.312 -6.392 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.970 -5.535 -0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.083 -5.431 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.753 -3.303 -1.982 1.00 0.00 H new ATOM 217 N GLY A 15 -10.847 -8.450 -2.120 1.00 0.00 N ATOM 218 CA GLY A 15 -10.265 -9.777 -2.194 1.00 0.00 C ATOM 219 C GLY A 15 -8.774 -9.774 -1.941 1.00 0.00 C ATOM 220 O GLY A 15 -8.257 -10.620 -1.223 1.00 0.00 O ATOM 0 H GLY A 15 -11.102 -8.041 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.752 -10.424 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.462 -10.201 -3.179 1.00 0.00 H new ATOM 224 N TYR A 16 -8.096 -8.798 -2.503 1.00 0.00 N ATOM 225 CA TYR A 16 -6.644 -8.686 -2.386 1.00 0.00 C ATOM 226 C TYR A 16 -6.172 -8.152 -1.046 1.00 0.00 C ATOM 227 O TYR A 16 -4.972 -8.093 -0.822 1.00 0.00 O ATOM 228 CB TYR A 16 -6.021 -7.863 -3.510 1.00 0.00 C ATOM 229 CG TYR A 16 -6.187 -8.451 -4.880 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.743 -9.727 -5.162 1.00 0.00 C ATOM 231 CD2 TYR A 16 -6.772 -7.723 -5.898 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.881 -10.262 -6.415 1.00 0.00 C ATOM 233 CE2 TYR A 16 -6.915 -8.252 -7.154 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.469 -9.521 -7.407 1.00 0.00 C ATOM 235 OH TYR A 16 -6.613 -10.052 -8.661 1.00 0.00 O ATOM 0 H TYR A 16 -8.527 -8.057 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.297 -9.716 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.463 -6.866 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.957 -7.742 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.279 -10.313 -4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.122 -6.721 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.529 -11.262 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.377 -7.671 -7.939 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.050 -9.397 -9.245 1.00 0.00 H new ATOM 245 N CYS A 17 -7.094 -7.738 -0.177 1.00 0.00 N ATOM 246 CA CYS A 17 -6.726 -7.126 1.109 1.00 0.00 C ATOM 247 C CYS A 17 -5.704 -7.986 1.884 1.00 0.00 C ATOM 248 O CYS A 17 -4.575 -7.547 2.119 1.00 0.00 O ATOM 249 CB CYS A 17 -7.969 -6.828 1.972 1.00 0.00 C ATOM 250 SG CYS A 17 -8.956 -8.275 2.423 1.00 0.00 S ATOM 0 H CYS A 17 -8.099 -7.813 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.245 -6.175 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.646 -6.329 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.606 -6.127 1.433 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.954 -8.394 1.598 1.00 0.00 H new ATOM 256 N LEU A 18 -6.079 -9.223 2.205 1.00 0.00 N ATOM 257 CA LEU A 18 -5.208 -10.129 2.952 1.00 0.00 C ATOM 258 C LEU A 18 -4.059 -10.623 2.086 1.00 0.00 C ATOM 259 O LEU A 18 -3.000 -10.962 2.596 1.00 0.00 O ATOM 260 CB LEU A 18 -5.970 -11.330 3.557 1.00 0.00 C ATOM 261 CG LEU A 18 -6.472 -12.433 2.600 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.012 -13.586 3.398 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.546 -11.928 1.651 1.00 0.00 C ATOM 0 H LEU A 18 -6.985 -9.622 1.958 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.806 -9.548 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.319 -11.800 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.833 -10.939 4.096 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.623 -12.753 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.366 -14.363 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.224 -13.990 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.839 -13.243 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.866 -12.740 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.399 -11.566 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.144 -11.114 1.047 1.00 0.00 H new ATOM 275 N ARG A 19 -4.274 -10.644 0.775 1.00 0.00 N ATOM 276 CA ARG A 19 -3.244 -11.044 -0.182 1.00 0.00 C ATOM 277 C ARG A 19 -2.050 -10.104 -0.032 1.00 0.00 C ATOM 278 O ARG A 19 -0.898 -10.538 0.102 1.00 0.00 O ATOM 279 CB ARG A 19 -3.812 -10.976 -1.617 1.00 0.00 C ATOM 280 CG ARG A 19 -2.821 -11.282 -2.743 1.00 0.00 C ATOM 281 CD ARG A 19 -2.341 -12.724 -2.721 1.00 0.00 C ATOM 282 NE ARG A 19 -1.389 -12.986 -3.812 1.00 0.00 N ATOM 283 CZ ARG A 19 -1.045 -14.195 -4.275 1.00 0.00 C ATOM 284 NH1 ARG A 19 -1.610 -15.286 -3.787 1.00 0.00 N ATOM 285 NH2 ARG A 19 -0.147 -14.296 -5.249 1.00 0.00 N ATOM 0 H ARG A 19 -5.162 -10.386 0.345 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.925 -12.068 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.644 -11.676 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.220 -9.978 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.292 -11.074 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.963 -10.616 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.867 -12.938 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.195 -13.395 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.953 -12.177 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.314 -15.211 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.342 -16.203 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.277 -13.455 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.118 -15.214 -5.605 1.00 0.00 H new ATOM 299 N LEU A 20 -2.364 -8.828 0.004 1.00 0.00 N ATOM 300 CA LEU A 20 -1.403 -7.774 0.177 1.00 0.00 C ATOM 301 C LEU A 20 -0.783 -7.827 1.586 1.00 0.00 C ATOM 302 O LEU A 20 0.440 -7.730 1.735 1.00 0.00 O ATOM 303 CB LEU A 20 -2.095 -6.423 -0.092 1.00 0.00 C ATOM 304 CG LEU A 20 -1.288 -5.151 0.155 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.000 -5.138 -0.658 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.130 -3.923 -0.155 1.00 0.00 C ATOM 0 H LEU A 20 -3.322 -8.491 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.585 -7.898 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.423 -6.415 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.992 -6.377 0.526 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.011 -5.131 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.548 -4.218 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.614 -5.994 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.239 -5.193 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.542 -3.023 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.441 -3.949 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.011 -3.915 0.486 1.00 0.00 H new ATOM 318 N LYS A 21 -1.632 -8.026 2.606 1.00 0.00 N ATOM 319 CA LYS A 21 -1.175 -8.094 4.010 1.00 0.00 C ATOM 320 C LYS A 21 -0.138 -9.189 4.185 1.00 0.00 C ATOM 321 O LYS A 21 0.982 -8.935 4.641 1.00 0.00 O ATOM 322 CB LYS A 21 -2.332 -8.395 4.970 1.00 0.00 C ATOM 323 CG LYS A 21 -3.505 -7.446 4.908 1.00 0.00 C ATOM 324 CD LYS A 21 -3.146 -6.025 5.264 1.00 0.00 C ATOM 325 CE LYS A 21 -4.383 -5.157 5.182 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.159 -3.803 5.692 1.00 0.00 N ATOM 0 H LYS A 21 -2.638 -8.143 2.489 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.749 -7.118 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.694 -9.403 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.943 -8.395 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.926 -7.466 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.283 -7.797 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.727 -5.985 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.380 -5.651 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.714 -5.100 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.188 -5.625 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.028 -3.242 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.903 -3.849 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.387 -3.354 5.159 1.00 0.00 H new ATOM 340 N THR A 22 -0.510 -10.398 3.797 1.00 0.00 N ATOM 341 CA THR A 22 0.330 -11.564 3.934 1.00 0.00 C ATOM 342 C THR A 22 1.646 -11.393 3.167 1.00 0.00 C ATOM 343 O THR A 22 2.707 -11.726 3.684 1.00 0.00 O ATOM 344 CB THR A 22 -0.426 -12.823 3.455 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.704 -12.867 4.115 1.00 0.00 O ATOM 346 CG2 THR A 22 0.346 -14.091 3.797 1.00 0.00 C ATOM 0 H THR A 22 -1.417 -10.594 3.373 1.00 0.00 H new ATOM 0 HA THR A 22 0.578 -11.685 4.989 1.00 0.00 H new ATOM 0 HB THR A 22 -0.544 -12.771 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.332 -12.275 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.210 -14.961 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.322 -14.065 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.480 -14.155 4.877 1.00 0.00 H new ATOM 354 N ALA A 23 1.574 -10.811 1.969 1.00 0.00 N ATOM 355 CA ALA A 23 2.755 -10.585 1.150 1.00 0.00 C ATOM 356 C ALA A 23 3.749 -9.676 1.871 1.00 0.00 C ATOM 357 O ALA A 23 4.947 -9.986 1.960 1.00 0.00 O ATOM 358 CB ALA A 23 2.364 -9.990 -0.195 1.00 0.00 C ATOM 0 H ALA A 23 0.703 -10.488 1.547 1.00 0.00 H new ATOM 0 HA ALA A 23 3.239 -11.546 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.259 -9.827 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.697 -10.677 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.855 -9.039 -0.038 1.00 0.00 H new ATOM 364 N LEU A 24 3.245 -8.585 2.430 1.00 0.00 N ATOM 365 CA LEU A 24 4.090 -7.624 3.129 1.00 0.00 C ATOM 366 C LEU A 24 4.623 -8.214 4.416 1.00 0.00 C ATOM 367 O LEU A 24 5.809 -8.078 4.728 1.00 0.00 O ATOM 368 CB LEU A 24 3.339 -6.333 3.448 1.00 0.00 C ATOM 369 CG LEU A 24 2.678 -5.566 2.301 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.057 -4.304 2.835 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.653 -5.232 1.194 1.00 0.00 C ATOM 0 H LEU A 24 2.254 -8.342 2.414 1.00 0.00 H new ATOM 0 HA LEU A 24 4.918 -7.389 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.564 -6.573 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.038 -5.656 3.939 1.00 0.00 H new ATOM 0 HG LEU A 24 1.912 -6.211 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.586 -3.757 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.306 -4.557 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.829 -3.683 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.135 -4.688 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.458 -4.614 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.070 -6.153 0.787 1.00 0.00 H new ATOM 383 N THR A 25 3.760 -8.883 5.141 1.00 0.00 N ATOM 384 CA THR A 25 4.126 -9.483 6.401 1.00 0.00 C ATOM 385 C THR A 25 5.207 -10.570 6.183 1.00 0.00 C ATOM 386 O THR A 25 6.165 -10.675 6.956 1.00 0.00 O ATOM 387 CB THR A 25 2.879 -10.064 7.110 1.00 0.00 C ATOM 388 OG1 THR A 25 1.855 -9.044 7.184 1.00 0.00 O ATOM 389 CG2 THR A 25 3.220 -10.511 8.520 1.00 0.00 C ATOM 0 H THR A 25 2.786 -9.027 4.875 1.00 0.00 H new ATOM 0 HA THR A 25 4.546 -8.713 7.048 1.00 0.00 H new ATOM 0 HB THR A 25 2.526 -10.923 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.425 -8.948 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.328 -10.916 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.992 -11.280 8.481 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.585 -9.659 9.094 1.00 0.00 H new ATOM 397 N ALA A 26 5.087 -11.308 5.079 1.00 0.00 N ATOM 398 CA ALA A 26 6.048 -12.336 4.719 1.00 0.00 C ATOM 399 C ALA A 26 7.419 -11.737 4.416 1.00 0.00 C ATOM 400 O ALA A 26 8.442 -12.311 4.771 1.00 0.00 O ATOM 401 CB ALA A 26 5.553 -13.142 3.527 1.00 0.00 C ATOM 0 H ALA A 26 4.320 -11.206 4.414 1.00 0.00 H new ATOM 0 HA ALA A 26 6.152 -13.002 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.288 -13.906 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.605 -13.619 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.411 -12.479 2.673 1.00 0.00 H new ATOM 407 N ASN A 27 7.435 -10.562 3.793 1.00 0.00 N ATOM 408 CA ASN A 27 8.707 -9.909 3.425 1.00 0.00 C ATOM 409 C ASN A 27 9.223 -9.012 4.533 1.00 0.00 C ATOM 410 O ASN A 27 10.212 -8.305 4.346 1.00 0.00 O ATOM 411 CB ASN A 27 8.620 -9.095 2.108 1.00 0.00 C ATOM 412 CG ASN A 27 8.502 -9.932 0.832 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.048 -9.564 -0.212 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.749 -10.993 0.868 1.00 0.00 N ATOM 0 H ASN A 27 6.598 -10.041 3.531 1.00 0.00 H new ATOM 0 HA ASN A 27 9.408 -10.728 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.759 -8.429 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.506 -8.465 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.599 -11.541 0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.309 -11.276 1.743 1.00 0.00 H new ATOM 421 N ARG A 28 8.556 -9.061 5.687 1.00 0.00 N ATOM 422 CA ARG A 28 8.892 -8.238 6.853 1.00 0.00 C ATOM 423 C ARG A 28 8.831 -6.762 6.530 1.00 0.00 C ATOM 424 O ARG A 28 9.739 -5.987 6.850 1.00 0.00 O ATOM 425 CB ARG A 28 10.243 -8.615 7.477 1.00 0.00 C ATOM 426 CG ARG A 28 10.268 -9.989 8.122 1.00 0.00 C ATOM 427 CD ARG A 28 11.580 -10.233 8.849 1.00 0.00 C ATOM 428 NE ARG A 28 11.837 -9.203 9.870 1.00 0.00 N ATOM 429 CZ ARG A 28 12.320 -9.411 11.100 1.00 0.00 C ATOM 430 NH1 ARG A 28 12.626 -10.633 11.511 1.00 0.00 N ATOM 431 NH2 ARG A 28 12.506 -8.379 11.907 1.00 0.00 N ATOM 0 H ARG A 28 7.759 -9.679 5.841 1.00 0.00 H new ATOM 0 HA ARG A 28 8.131 -8.449 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.011 -8.574 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.505 -7.869 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.439 -10.079 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.125 -10.754 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.557 -11.215 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.398 -10.244 8.129 1.00 0.00 H new ATOM 0 HE ARG A 28 11.626 -8.238 9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.494 -11.429 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.994 -10.778 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.282 -7.436 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.874 -8.526 12.847 1.00 0.00 H new ATOM 445 N ILE A 29 7.770 -6.381 5.886 1.00 0.00 N ATOM 446 CA ILE A 29 7.551 -5.015 5.542 1.00 0.00 C ATOM 447 C ILE A 29 6.629 -4.395 6.570 1.00 0.00 C ATOM 448 O ILE A 29 5.511 -4.866 6.769 1.00 0.00 O ATOM 449 CB ILE A 29 6.918 -4.887 4.146 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.831 -5.532 3.095 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.672 -3.414 3.829 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.225 -5.663 1.733 1.00 0.00 C ATOM 0 H ILE A 29 7.030 -7.015 5.584 1.00 0.00 H new ATOM 0 HA ILE A 29 8.511 -4.500 5.528 1.00 0.00 H new ATOM 0 HB ILE A 29 5.961 -5.409 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.744 -4.942 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.121 -6.523 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.223 -3.325 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.998 -2.989 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.619 -2.875 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.943 -6.129 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.329 -6.280 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.961 -4.675 1.356 1.00 0.00 H new ATOM 464 N ALA A 30 7.118 -3.395 7.239 1.00 0.00 N ATOM 465 CA ALA A 30 6.357 -2.662 8.225 1.00 0.00 C ATOM 466 C ALA A 30 5.327 -1.790 7.531 1.00 0.00 C ATOM 467 O ALA A 30 5.687 -0.857 6.813 1.00 0.00 O ATOM 468 CB ALA A 30 7.304 -1.786 8.993 1.00 0.00 C ATOM 0 H ALA A 30 8.072 -3.054 7.119 1.00 0.00 H new ATOM 0 HA ALA A 30 5.847 -3.355 8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.750 -1.222 9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.055 -2.405 9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.795 -1.094 8.309 1.00 0.00 H new ATOM 474 N TYR A 31 4.073 -2.059 7.732 1.00 0.00 N ATOM 475 CA TYR A 31 3.064 -1.294 7.054 1.00 0.00 C ATOM 476 C TYR A 31 2.028 -0.744 7.986 1.00 0.00 C ATOM 477 O TYR A 31 1.798 -1.264 9.079 1.00 0.00 O ATOM 478 CB TYR A 31 2.408 -2.086 5.916 1.00 0.00 C ATOM 479 CG TYR A 31 1.702 -3.363 6.337 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.387 -4.563 6.385 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.351 -3.367 6.653 1.00 0.00 C ATOM 482 CE1 TYR A 31 1.755 -5.734 6.742 1.00 0.00 C ATOM 483 CE2 TYR A 31 -0.296 -4.533 7.006 1.00 0.00 C ATOM 484 CZ TYR A 31 0.417 -5.718 7.051 1.00 0.00 C ATOM 485 OH TYR A 31 -0.217 -6.894 7.387 1.00 0.00 O ATOM 0 H TYR A 31 3.724 -2.791 8.350 1.00 0.00 H new ATOM 0 HA TYR A 31 3.584 -0.443 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.687 -1.440 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.174 -2.339 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.438 -4.583 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.204 -2.441 6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.309 -6.660 6.779 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.349 -4.521 7.245 1.00 0.00 H new ATOM 0 HH TYR A 31 0.418 -7.638 7.324 1.00 0.00 H new ATOM 495 N ASP A 32 1.407 0.291 7.531 1.00 0.00 N ATOM 496 CA ASP A 32 0.372 0.977 8.231 1.00 0.00 C ATOM 497 C ASP A 32 -0.906 0.829 7.446 1.00 0.00 C ATOM 498 O ASP A 32 -0.886 0.822 6.217 1.00 0.00 O ATOM 499 CB ASP A 32 0.734 2.460 8.393 1.00 0.00 C ATOM 500 CG ASP A 32 1.836 2.696 9.401 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.027 2.650 9.047 1.00 0.00 O ATOM 502 OD2 ASP A 32 1.523 2.928 10.588 1.00 0.00 O ATOM 0 H ASP A 32 1.616 0.701 6.621 1.00 0.00 H new ATOM 0 HA ASP A 32 0.247 0.552 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.042 2.860 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.154 3.013 8.699 1.00 0.00 H new ATOM 507 N GLU A 33 -1.998 0.675 8.117 1.00 0.00 N ATOM 508 CA GLU A 33 -3.265 0.501 7.457 1.00 0.00 C ATOM 509 C GLU A 33 -4.319 1.359 8.109 1.00 0.00 C ATOM 510 O GLU A 33 -4.363 1.481 9.336 1.00 0.00 O ATOM 511 CB GLU A 33 -3.683 -0.980 7.471 1.00 0.00 C ATOM 512 CG GLU A 33 -3.728 -1.613 8.853 1.00 0.00 C ATOM 513 CD GLU A 33 -4.214 -3.029 8.820 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.526 -3.890 8.230 1.00 0.00 O ATOM 515 OE2 GLU A 33 -5.286 -3.318 9.357 1.00 0.00 O ATOM 0 H GLU A 33 -2.046 0.665 9.136 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.161 0.815 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.668 -1.070 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.989 -1.546 6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.732 -1.584 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.380 -1.024 9.498 1.00 0.00 H new ATOM 522 N VAL A 34 -5.144 1.955 7.307 1.00 0.00 N ATOM 523 CA VAL A 34 -6.224 2.760 7.791 1.00 0.00 C ATOM 524 C VAL A 34 -7.463 2.358 6.998 1.00 0.00 C ATOM 525 O VAL A 34 -7.352 1.986 5.817 1.00 0.00 O ATOM 526 CB VAL A 34 -5.899 4.296 7.686 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.768 4.784 6.260 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.891 5.134 8.455 1.00 0.00 C ATOM 0 H VAL A 34 -5.088 1.897 6.290 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.395 2.588 8.854 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.919 4.420 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.544 5.851 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.962 4.244 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.703 4.610 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.631 6.188 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.892 4.969 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.868 4.851 9.507 1.00 0.00 H new ATOM 538 N ASP A 35 -8.613 2.370 7.620 1.00 0.00 N ATOM 539 CA ASP A 35 -9.794 1.864 6.955 1.00 0.00 C ATOM 540 C ASP A 35 -10.491 2.942 6.136 1.00 0.00 C ATOM 541 O ASP A 35 -10.593 4.091 6.546 1.00 0.00 O ATOM 542 CB ASP A 35 -10.744 1.230 7.973 1.00 0.00 C ATOM 543 CG ASP A 35 -12.026 0.751 7.356 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.001 -0.165 6.517 1.00 0.00 O ATOM 545 OD2 ASP A 35 -13.080 1.307 7.676 1.00 0.00 O ATOM 0 H ASP A 35 -8.761 2.717 8.568 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.480 1.093 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.243 0.391 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.971 1.957 8.752 1.00 0.00 H new ATOM 550 N ILE A 36 -10.996 2.547 4.993 1.00 0.00 N ATOM 551 CA ILE A 36 -11.641 3.461 4.060 1.00 0.00 C ATOM 552 C ILE A 36 -13.092 3.707 4.432 1.00 0.00 C ATOM 553 O ILE A 36 -13.656 4.756 4.131 1.00 0.00 O ATOM 554 CB ILE A 36 -11.537 2.940 2.609 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.191 1.562 2.490 1.00 0.00 C ATOM 556 CG2 ILE A 36 -10.078 2.882 2.201 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.123 0.920 1.128 1.00 0.00 C ATOM 0 H ILE A 36 -10.975 1.578 4.675 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.113 4.412 4.123 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.065 3.620 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.719 0.893 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.239 1.652 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.001 2.515 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.643 3.880 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.540 2.210 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.617 -0.051 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.623 1.558 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.080 0.788 0.840 1.00 0.00 H new ATOM 569 N GLU A 37 -13.681 2.759 5.116 1.00 0.00 N ATOM 570 CA GLU A 37 -15.061 2.850 5.486 1.00 0.00 C ATOM 571 C GLU A 37 -15.222 3.872 6.620 1.00 0.00 C ATOM 572 O GLU A 37 -16.199 4.625 6.670 1.00 0.00 O ATOM 573 CB GLU A 37 -15.579 1.465 5.863 1.00 0.00 C ATOM 574 CG GLU A 37 -17.032 1.399 6.267 1.00 0.00 C ATOM 575 CD GLU A 37 -17.483 -0.022 6.438 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.139 -0.653 7.440 1.00 0.00 O ATOM 577 OE2 GLU A 37 -18.153 -0.553 5.534 1.00 0.00 O ATOM 0 H GLU A 37 -13.215 1.907 5.429 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.661 3.202 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.425 0.796 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.974 1.082 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.178 1.945 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.645 1.890 5.511 1.00 0.00 H new ATOM 584 N HIS A 38 -14.233 3.935 7.484 1.00 0.00 N ATOM 585 CA HIS A 38 -14.230 4.894 8.593 1.00 0.00 C ATOM 586 C HIS A 38 -13.550 6.219 8.227 1.00 0.00 C ATOM 587 O HIS A 38 -13.464 7.133 9.058 1.00 0.00 O ATOM 588 CB HIS A 38 -13.582 4.288 9.835 1.00 0.00 C ATOM 589 CG HIS A 38 -14.366 3.165 10.441 1.00 0.00 C ATOM 590 ND1 HIS A 38 -14.294 1.865 10.013 1.00 0.00 N ATOM 591 CD2 HIS A 38 -15.241 3.172 11.469 1.00 0.00 C ATOM 592 CE1 HIS A 38 -15.102 1.130 10.773 1.00 0.00 C ATOM 593 NE2 HIS A 38 -15.705 1.878 11.682 1.00 0.00 N ATOM 0 H HIS A 38 -13.410 3.333 7.448 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.274 5.120 8.812 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.588 3.925 9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.449 5.070 10.582 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.720 1.520 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.534 4.043 12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.246 0.065 10.662 1.00 0.00 H new ATOM 601 N ASN A 39 -13.064 6.332 7.006 1.00 0.00 N ATOM 602 CA ASN A 39 -12.434 7.573 6.548 1.00 0.00 C ATOM 603 C ASN A 39 -12.954 7.934 5.191 1.00 0.00 C ATOM 604 O ASN A 39 -12.499 7.393 4.181 1.00 0.00 O ATOM 605 CB ASN A 39 -10.900 7.489 6.503 1.00 0.00 C ATOM 606 CG ASN A 39 -10.254 7.304 7.852 1.00 0.00 C ATOM 607 OD1 ASN A 39 -9.975 8.267 8.559 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.974 6.089 8.201 1.00 0.00 N ATOM 0 H ASN A 39 -13.089 5.587 6.309 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.692 8.344 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.611 6.660 5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.510 8.399 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.506 5.908 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.221 5.312 7.588 1.00 0.00 H new ATOM 615 N ARG A 40 -13.894 8.847 5.156 1.00 0.00 N ATOM 616 CA ARG A 40 -14.564 9.221 3.916 1.00 0.00 C ATOM 617 C ARG A 40 -13.605 9.823 2.890 1.00 0.00 C ATOM 618 O ARG A 40 -13.645 9.461 1.718 1.00 0.00 O ATOM 619 CB ARG A 40 -15.747 10.146 4.184 1.00 0.00 C ATOM 620 CG ARG A 40 -16.498 10.536 2.928 1.00 0.00 C ATOM 621 CD ARG A 40 -17.766 11.289 3.237 1.00 0.00 C ATOM 622 NE ARG A 40 -18.492 11.614 2.018 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.738 12.071 1.964 1.00 0.00 C ATOM 624 NH1 ARG A 40 -20.410 12.323 3.082 1.00 0.00 N ATOM 625 NH2 ARG A 40 -20.306 12.279 0.790 1.00 0.00 N ATOM 0 H ARG A 40 -14.221 9.355 5.978 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.949 8.301 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.435 9.655 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.389 11.048 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.856 11.152 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.739 9.639 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.398 10.689 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.526 12.205 3.777 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.004 11.480 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.969 12.166 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.367 12.674 3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.788 12.089 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.263 12.630 0.741 1.00 0.00 H new ATOM 639 N ALA A 41 -12.723 10.699 3.334 1.00 0.00 N ATOM 640 CA ALA A 41 -11.757 11.329 2.441 1.00 0.00 C ATOM 641 C ALA A 41 -10.786 10.300 1.886 1.00 0.00 C ATOM 642 O ALA A 41 -10.326 10.413 0.747 1.00 0.00 O ATOM 643 CB ALA A 41 -11.005 12.441 3.145 1.00 0.00 C ATOM 0 H ALA A 41 -12.652 10.993 4.308 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.309 11.768 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.292 12.892 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.711 13.199 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.471 12.033 4.003 1.00 0.00 H new ATOM 649 N ALA A 42 -10.506 9.275 2.676 1.00 0.00 N ATOM 650 CA ALA A 42 -9.623 8.214 2.245 1.00 0.00 C ATOM 651 C ALA A 42 -10.315 7.362 1.191 1.00 0.00 C ATOM 652 O ALA A 42 -9.717 7.023 0.183 1.00 0.00 O ATOM 653 CB ALA A 42 -9.157 7.360 3.416 1.00 0.00 C ATOM 0 H ALA A 42 -10.880 9.160 3.618 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.734 8.667 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.496 6.574 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.620 7.984 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.021 6.910 3.905 1.00 0.00 H new ATOM 659 N ALA A 43 -11.599 7.067 1.419 1.00 0.00 N ATOM 660 CA ALA A 43 -12.419 6.292 0.476 1.00 0.00 C ATOM 661 C ALA A 43 -12.583 7.048 -0.842 1.00 0.00 C ATOM 662 O ALA A 43 -12.609 6.454 -1.934 1.00 0.00 O ATOM 663 CB ALA A 43 -13.782 6.000 1.081 1.00 0.00 C ATOM 0 H ALA A 43 -12.100 7.357 2.259 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.911 5.349 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.379 5.426 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.657 5.426 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.289 6.938 1.306 1.00 0.00 H new ATOM 669 N GLU A 44 -12.700 8.352 -0.724 1.00 0.00 N ATOM 670 CA GLU A 44 -12.797 9.248 -1.857 1.00 0.00 C ATOM 671 C GLU A 44 -11.491 9.174 -2.668 1.00 0.00 C ATOM 672 O GLU A 44 -11.503 9.087 -3.894 1.00 0.00 O ATOM 673 CB GLU A 44 -13.026 10.674 -1.332 1.00 0.00 C ATOM 674 CG GLU A 44 -13.299 11.731 -2.388 1.00 0.00 C ATOM 675 CD GLU A 44 -14.575 11.482 -3.155 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.654 11.380 -2.530 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.528 11.399 -4.398 1.00 0.00 O ATOM 0 H GLU A 44 -12.731 8.829 0.177 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.627 8.965 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.866 10.655 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.148 10.976 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.354 12.709 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.462 11.764 -3.086 1.00 0.00 H new ATOM 684 N PHE A 45 -10.377 9.175 -1.954 1.00 0.00 N ATOM 685 CA PHE A 45 -9.048 9.118 -2.544 1.00 0.00 C ATOM 686 C PHE A 45 -8.796 7.784 -3.246 1.00 0.00 C ATOM 687 O PHE A 45 -8.506 7.754 -4.449 1.00 0.00 O ATOM 688 CB PHE A 45 -7.984 9.366 -1.465 1.00 0.00 C ATOM 689 CG PHE A 45 -6.571 9.207 -1.947 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.980 10.182 -2.727 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.837 8.077 -1.616 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.684 10.039 -3.172 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.542 7.931 -2.060 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.964 8.915 -2.839 1.00 0.00 C ATOM 0 H PHE A 45 -10.370 9.216 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.983 9.901 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.110 10.374 -1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.154 8.677 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.540 11.067 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.285 7.307 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.234 10.808 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.978 7.048 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.948 8.802 -3.186 1.00 0.00 H new ATOM 704 N VAL A 46 -8.939 6.689 -2.499 1.00 0.00 N ATOM 705 CA VAL A 46 -8.673 5.337 -3.009 1.00 0.00 C ATOM 706 C VAL A 46 -9.562 4.989 -4.211 1.00 0.00 C ATOM 707 O VAL A 46 -9.170 4.221 -5.075 1.00 0.00 O ATOM 708 CB VAL A 46 -8.738 4.256 -1.866 1.00 0.00 C ATOM 709 CG1 VAL A 46 -10.033 4.285 -1.169 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.520 2.870 -2.368 1.00 0.00 C ATOM 0 H VAL A 46 -9.242 6.710 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.648 5.328 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.932 4.517 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.042 3.526 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.184 5.268 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.834 4.083 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.576 2.169 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.287 2.624 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.537 2.802 -2.834 1.00 0.00 H new ATOM 720 N GLY A 47 -10.716 5.628 -4.292 1.00 0.00 N ATOM 721 CA GLY A 47 -11.599 5.412 -5.406 1.00 0.00 C ATOM 722 C GLY A 47 -11.005 5.889 -6.727 1.00 0.00 C ATOM 723 O GLY A 47 -11.080 5.186 -7.728 1.00 0.00 O ATOM 0 H GLY A 47 -11.055 6.296 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.832 4.350 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.539 5.933 -5.226 1.00 0.00 H new ATOM 727 N SER A 48 -10.376 7.055 -6.719 1.00 0.00 N ATOM 728 CA SER A 48 -9.812 7.625 -7.940 1.00 0.00 C ATOM 729 C SER A 48 -8.534 6.906 -8.365 1.00 0.00 C ATOM 730 O SER A 48 -8.248 6.776 -9.554 1.00 0.00 O ATOM 731 CB SER A 48 -9.543 9.112 -7.750 1.00 0.00 C ATOM 732 OG SER A 48 -10.727 9.789 -7.352 1.00 0.00 O ATOM 0 H SER A 48 -10.242 7.626 -5.884 1.00 0.00 H new ATOM 0 HA SER A 48 -10.544 7.491 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.767 9.253 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.168 9.541 -8.679 1.00 0.00 H new ATOM 0 HG SER A 48 -10.534 10.743 -7.233 1.00 0.00 H new ATOM 738 N VAL A 49 -7.797 6.410 -7.401 1.00 0.00 N ATOM 739 CA VAL A 49 -6.531 5.729 -7.674 1.00 0.00 C ATOM 740 C VAL A 49 -6.740 4.231 -7.846 1.00 0.00 C ATOM 741 O VAL A 49 -5.787 3.444 -7.952 1.00 0.00 O ATOM 742 CB VAL A 49 -5.486 6.002 -6.569 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.116 7.462 -6.574 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.032 5.634 -5.213 1.00 0.00 C ATOM 0 H VAL A 49 -8.044 6.460 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.144 6.134 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.605 5.392 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.379 7.653 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.695 7.727 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.006 8.063 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.279 5.835 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.924 6.226 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.289 4.575 -5.199 1.00 0.00 H new ATOM 754 N ASN A 50 -7.982 3.845 -7.896 1.00 0.00 N ATOM 755 CA ASN A 50 -8.331 2.464 -8.057 1.00 0.00 C ATOM 756 C ASN A 50 -8.370 2.094 -9.520 1.00 0.00 C ATOM 757 O ASN A 50 -8.224 2.960 -10.399 1.00 0.00 O ATOM 758 CB ASN A 50 -9.691 2.159 -7.432 1.00 0.00 C ATOM 759 CG ASN A 50 -9.610 1.134 -6.333 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.499 0.310 -6.172 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.595 1.195 -5.541 1.00 0.00 N ATOM 0 H ASN A 50 -8.779 4.477 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.567 1.875 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.118 3.080 -7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.370 1.802 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.520 0.546 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.867 1.892 -5.698 1.00 0.00 H new ATOM 768 N GLY A 51 -8.566 0.823 -9.783 1.00 0.00 N ATOM 769 CA GLY A 51 -8.695 0.349 -11.129 1.00 0.00 C ATOM 770 C GLY A 51 -10.148 0.259 -11.502 1.00 0.00 C ATOM 771 O GLY A 51 -10.793 -0.777 -11.286 1.00 0.00 O ATOM 0 H GLY A 51 -8.639 0.097 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.176 1.022 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.224 -0.629 -11.226 1.00 0.00 H new ATOM 775 N GLY A 52 -10.676 1.343 -12.007 1.00 0.00 N ATOM 776 CA GLY A 52 -12.060 1.402 -12.374 1.00 0.00 C ATOM 777 C GLY A 52 -12.837 2.172 -11.354 1.00 0.00 C ATOM 778 O GLY A 52 -12.966 3.392 -11.448 1.00 0.00 O ATOM 0 H GLY A 52 -10.158 2.206 -12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.164 1.873 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.463 0.393 -12.462 1.00 0.00 H new ATOM 782 N ASN A 53 -13.330 1.480 -10.368 1.00 0.00 N ATOM 783 CA ASN A 53 -14.065 2.091 -9.274 1.00 0.00 C ATOM 784 C ASN A 53 -13.530 1.495 -7.988 1.00 0.00 C ATOM 785 O ASN A 53 -12.711 0.581 -8.047 1.00 0.00 O ATOM 786 CB ASN A 53 -15.601 1.869 -9.383 1.00 0.00 C ATOM 787 CG ASN A 53 -16.320 2.432 -10.646 1.00 0.00 C ATOM 788 OD1 ASN A 53 -17.330 1.882 -11.076 1.00 0.00 O ATOM 789 ND2 ASN A 53 -15.853 3.508 -11.238 1.00 0.00 N ATOM 0 H ASN A 53 -13.238 0.467 -10.291 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.920 3.171 -9.303 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.790 0.796 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.068 2.312 -8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.330 3.888 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.014 3.964 -10.880 1.00 0.00 H new ATOM 796 N ARG A 54 -13.974 2.000 -6.836 1.00 0.00 N ATOM 797 CA ARG A 54 -13.437 1.549 -5.543 1.00 0.00 C ATOM 798 C ARG A 54 -13.795 0.081 -5.217 1.00 0.00 C ATOM 799 O ARG A 54 -14.923 -0.252 -4.849 1.00 0.00 O ATOM 800 CB ARG A 54 -13.750 2.543 -4.360 1.00 0.00 C ATOM 801 CG ARG A 54 -15.177 2.583 -3.724 1.00 0.00 C ATOM 802 CD ARG A 54 -16.324 2.848 -4.703 1.00 0.00 C ATOM 803 NE ARG A 54 -16.692 1.633 -5.430 1.00 0.00 N ATOM 804 CZ ARG A 54 -17.496 1.542 -6.478 1.00 0.00 C ATOM 805 NH1 ARG A 54 -18.024 2.629 -7.016 1.00 0.00 N ATOM 806 NH2 ARG A 54 -17.756 0.347 -6.995 1.00 0.00 N ATOM 0 H ARG A 54 -14.698 2.716 -6.767 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.353 1.566 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.045 2.324 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.526 3.549 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.361 1.632 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.192 3.355 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.190 3.225 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.030 3.623 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.285 0.761 -5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.813 3.546 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.642 2.550 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.338 -0.488 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.374 0.264 -7.802 1.00 0.00 H new ATOM 820 N THR A 55 -12.847 -0.779 -5.403 1.00 0.00 N ATOM 821 CA THR A 55 -13.038 -2.179 -5.148 1.00 0.00 C ATOM 822 C THR A 55 -11.735 -2.836 -4.640 1.00 0.00 C ATOM 823 O THR A 55 -11.775 -3.808 -3.873 1.00 0.00 O ATOM 824 CB THR A 55 -13.582 -2.916 -6.427 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.820 -4.312 -6.168 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.614 -2.775 -7.601 1.00 0.00 C ATOM 0 H THR A 55 -11.914 -0.535 -5.737 1.00 0.00 H new ATOM 0 HA THR A 55 -13.787 -2.276 -4.362 1.00 0.00 H new ATOM 0 HB THR A 55 -14.528 -2.441 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.159 -4.742 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.018 -3.295 -8.470 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.482 -1.719 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.651 -3.210 -7.333 1.00 0.00 H new ATOM 834 N VAL A 56 -10.597 -2.278 -5.009 1.00 0.00 N ATOM 835 CA VAL A 56 -9.320 -2.873 -4.672 1.00 0.00 C ATOM 836 C VAL A 56 -8.495 -2.030 -3.708 1.00 0.00 C ATOM 837 O VAL A 56 -8.627 -0.807 -3.674 1.00 0.00 O ATOM 838 CB VAL A 56 -8.473 -3.203 -5.928 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.986 -4.458 -6.605 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.483 -2.052 -6.919 1.00 0.00 C ATOM 0 H VAL A 56 -10.532 -1.412 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.575 -3.803 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.448 -3.367 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.378 -4.672 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.927 -5.296 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.022 -4.310 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.880 -2.315 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.507 -1.852 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.069 -1.161 -6.446 1.00 0.00 H new ATOM 850 N PRO A 57 -7.642 -2.692 -2.900 1.00 0.00 N ATOM 851 CA PRO A 57 -6.736 -2.023 -1.969 1.00 0.00 C ATOM 852 C PRO A 57 -5.756 -1.104 -2.703 1.00 0.00 C ATOM 853 O PRO A 57 -5.321 -1.402 -3.826 1.00 0.00 O ATOM 854 CB PRO A 57 -5.953 -3.189 -1.317 1.00 0.00 C ATOM 855 CG PRO A 57 -6.155 -4.345 -2.223 1.00 0.00 C ATOM 856 CD PRO A 57 -7.511 -4.154 -2.823 1.00 0.00 C ATOM 0 HA PRO A 57 -7.274 -1.398 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.895 -2.946 -1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.326 -3.403 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.386 -4.377 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.097 -5.286 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.585 -4.617 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.291 -4.596 -2.203 1.00 0.00 H new ATOM 864 N THR A 58 -5.450 0.011 -2.115 1.00 0.00 N ATOM 865 CA THR A 58 -4.467 0.905 -2.671 1.00 0.00 C ATOM 866 C THR A 58 -3.521 1.304 -1.567 1.00 0.00 C ATOM 867 O THR A 58 -3.901 1.314 -0.394 1.00 0.00 O ATOM 868 CB THR A 58 -5.121 2.141 -3.321 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.157 1.679 -4.188 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.116 2.901 -4.173 1.00 0.00 C ATOM 0 H THR A 58 -5.868 0.331 -1.241 1.00 0.00 H new ATOM 0 HA THR A 58 -3.921 0.397 -3.466 1.00 0.00 H new ATOM 0 HB THR A 58 -5.498 2.798 -2.537 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.895 1.829 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.601 3.768 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.286 3.231 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.740 2.249 -4.961 1.00 0.00 H new ATOM 878 N VAL A 59 -2.311 1.583 -1.918 1.00 0.00 N ATOM 879 CA VAL A 59 -1.322 1.872 -0.951 1.00 0.00 C ATOM 880 C VAL A 59 -0.579 3.180 -1.261 1.00 0.00 C ATOM 881 O VAL A 59 -0.176 3.412 -2.400 1.00 0.00 O ATOM 882 CB VAL A 59 -0.337 0.676 -0.864 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.358 0.393 -2.189 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.659 0.898 0.198 1.00 0.00 C ATOM 0 H VAL A 59 -1.986 1.616 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.808 2.016 0.014 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.932 -0.203 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.035 -0.453 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.388 0.158 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.925 1.271 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.340 0.048 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.224 1.805 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.151 1.006 1.156 1.00 0.00 H new ATOM 894 N LYS A 60 -0.464 4.041 -0.259 1.00 0.00 N ATOM 895 CA LYS A 60 0.361 5.238 -0.357 1.00 0.00 C ATOM 896 C LYS A 60 1.652 4.984 0.338 1.00 0.00 C ATOM 897 O LYS A 60 1.666 4.435 1.422 1.00 0.00 O ATOM 898 CB LYS A 60 -0.240 6.486 0.319 1.00 0.00 C ATOM 899 CG LYS A 60 -1.271 7.260 -0.455 1.00 0.00 C ATOM 900 CD LYS A 60 -1.364 8.722 0.036 1.00 0.00 C ATOM 901 CE LYS A 60 -1.525 8.850 1.556 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.604 10.258 1.994 1.00 0.00 N ATOM 0 H LYS A 60 -0.936 3.931 0.639 1.00 0.00 H new ATOM 0 HA LYS A 60 0.458 5.438 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.689 6.175 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.578 7.164 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.018 7.246 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.243 6.778 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.466 9.258 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.209 9.208 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.426 8.323 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.684 8.365 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.712 10.294 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.734 10.756 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.422 10.716 1.544 1.00 0.00 H new ATOM 916 N PHE A 61 2.711 5.375 -0.254 1.00 0.00 N ATOM 917 CA PHE A 61 3.990 5.286 0.401 1.00 0.00 C ATOM 918 C PHE A 61 4.243 6.577 1.137 1.00 0.00 C ATOM 919 O PHE A 61 3.458 7.520 1.017 1.00 0.00 O ATOM 920 CB PHE A 61 5.093 5.095 -0.619 1.00 0.00 C ATOM 921 CG PHE A 61 5.038 3.821 -1.372 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.333 3.738 -2.552 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.705 2.706 -0.907 1.00 0.00 C ATOM 924 CE1 PHE A 61 4.288 2.571 -3.258 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.665 1.531 -1.606 1.00 0.00 C ATOM 926 CZ PHE A 61 4.956 1.462 -2.786 1.00 0.00 C ATOM 0 H PHE A 61 2.736 5.765 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 61 3.982 4.438 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.057 5.921 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.054 5.156 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.810 4.607 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.263 2.762 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.732 2.517 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.187 0.661 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.924 0.537 -3.342 1.00 0.00 H new ATOM 936 N ALA A 62 5.345 6.646 1.868 1.00 0.00 N ATOM 937 CA ALA A 62 5.790 7.907 2.482 1.00 0.00 C ATOM 938 C ALA A 62 6.211 8.884 1.372 1.00 0.00 C ATOM 939 O ALA A 62 6.357 10.086 1.580 1.00 0.00 O ATOM 940 CB ALA A 62 6.948 7.655 3.437 1.00 0.00 C ATOM 0 H ALA A 62 5.953 5.849 2.056 1.00 0.00 H new ATOM 0 HA ALA A 62 4.970 8.340 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.264 8.598 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.629 6.972 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.781 7.214 2.890 1.00 0.00 H new ATOM 946 N ASP A 63 6.379 8.316 0.191 1.00 0.00 N ATOM 947 CA ASP A 63 6.705 9.009 -1.053 1.00 0.00 C ATOM 948 C ASP A 63 5.451 9.742 -1.580 1.00 0.00 C ATOM 949 O ASP A 63 5.534 10.651 -2.397 1.00 0.00 O ATOM 950 CB ASP A 63 7.168 7.936 -2.055 1.00 0.00 C ATOM 951 CG ASP A 63 7.597 8.435 -3.412 1.00 0.00 C ATOM 952 OD1 ASP A 63 8.771 8.808 -3.578 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.790 8.365 -4.351 1.00 0.00 O ATOM 0 H ASP A 63 6.288 7.308 0.062 1.00 0.00 H new ATOM 0 HA ASP A 63 7.488 9.752 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.000 7.389 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.356 7.223 -2.193 1.00 0.00 H new ATOM 958 N GLY A 64 4.288 9.333 -1.080 1.00 0.00 N ATOM 959 CA GLY A 64 3.026 9.948 -1.461 1.00 0.00 C ATOM 960 C GLY A 64 2.370 9.283 -2.650 1.00 0.00 C ATOM 961 O GLY A 64 1.160 9.397 -2.841 1.00 0.00 O ATOM 0 H GLY A 64 4.197 8.573 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.343 9.914 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.197 11.000 -1.691 1.00 0.00 H new ATOM 965 N SER A 65 3.157 8.592 -3.436 1.00 0.00 N ATOM 966 CA SER A 65 2.671 7.918 -4.613 1.00 0.00 C ATOM 967 C SER A 65 1.889 6.654 -4.231 1.00 0.00 C ATOM 968 O SER A 65 2.132 6.059 -3.154 1.00 0.00 O ATOM 969 CB SER A 65 3.853 7.570 -5.504 1.00 0.00 C ATOM 970 OG SER A 65 4.637 8.735 -5.781 1.00 0.00 O ATOM 0 H SER A 65 4.158 8.481 -3.276 1.00 0.00 H new ATOM 0 HA SER A 65 1.990 8.576 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.472 6.816 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.496 7.135 -6.438 1.00 0.00 H new ATOM 0 HG SER A 65 5.522 8.639 -5.371 1.00 0.00 H new ATOM 976 N THR A 66 0.963 6.272 -5.077 1.00 0.00 N ATOM 977 CA THR A 66 0.145 5.115 -4.863 1.00 0.00 C ATOM 978 C THR A 66 0.416 4.023 -5.879 1.00 0.00 C ATOM 979 O THR A 66 0.921 4.281 -6.988 1.00 0.00 O ATOM 980 CB THR A 66 -1.351 5.478 -4.948 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.581 6.363 -6.055 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.854 6.105 -3.675 1.00 0.00 C ATOM 0 H THR A 66 0.758 6.767 -5.945 1.00 0.00 H new ATOM 0 HA THR A 66 0.396 4.748 -3.868 1.00 0.00 H new ATOM 0 HB THR A 66 -1.904 4.551 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.534 6.587 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.912 6.344 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.720 5.407 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.294 7.018 -3.473 1.00 0.00 H new ATOM 990 N LEU A 67 0.122 2.819 -5.478 1.00 0.00 N ATOM 991 CA LEU A 67 0.087 1.680 -6.354 1.00 0.00 C ATOM 992 C LEU A 67 -1.194 0.937 -6.074 1.00 0.00 C ATOM 993 O LEU A 67 -1.509 0.642 -4.906 1.00 0.00 O ATOM 994 CB LEU A 67 1.303 0.733 -6.188 1.00 0.00 C ATOM 995 CG LEU A 67 2.673 1.226 -6.688 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.744 0.180 -6.403 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.633 1.515 -8.185 1.00 0.00 C ATOM 0 H LEU A 67 -0.106 2.596 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 67 0.134 2.035 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.399 0.495 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.074 -0.199 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 67 2.914 2.148 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.709 0.540 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.800 -0.000 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.491 -0.749 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.612 1.862 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.370 0.605 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.888 2.285 -8.387 1.00 0.00 H new ATOM 1009 N THR A 68 -1.966 0.721 -7.098 1.00 0.00 N ATOM 1010 CA THR A 68 -3.181 -0.036 -7.002 1.00 0.00 C ATOM 1011 C THR A 68 -2.779 -1.507 -6.779 1.00 0.00 C ATOM 1012 O THR A 68 -1.796 -1.940 -7.374 1.00 0.00 O ATOM 1013 CB THR A 68 -3.963 0.115 -8.320 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.891 1.498 -8.753 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.423 -0.265 -8.126 1.00 0.00 C ATOM 0 H THR A 68 -1.768 1.070 -8.036 1.00 0.00 H new ATOM 0 HA THR A 68 -3.812 0.310 -6.183 1.00 0.00 H new ATOM 0 HB THR A 68 -3.524 -0.546 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.629 2.005 -8.354 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.957 -0.151 -9.069 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.488 -1.301 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.871 0.385 -7.374 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.578 -2.246 -5.971 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.297 -3.638 -5.462 1.00 0.00 C ATOM 1025 C ASN A 69 -2.025 -4.318 -6.003 1.00 0.00 C ATOM 1026 O ASN A 69 -2.025 -4.991 -7.039 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.531 -4.556 -5.606 1.00 0.00 C ATOM 1028 CG ASN A 69 -5.045 -4.703 -7.034 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -5.802 -3.872 -7.513 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.711 -5.785 -7.690 1.00 0.00 N ATOM 0 H ASN A 69 -4.472 -1.888 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.081 -3.485 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.280 -5.544 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.335 -4.164 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.085 -5.951 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.077 -6.463 -7.267 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.906 -4.061 -5.333 1.00 0.00 N ATOM 1038 CA PRO A 70 0.363 -4.646 -5.651 1.00 0.00 C ATOM 1039 C PRO A 70 0.715 -5.810 -4.727 1.00 0.00 C ATOM 1040 O PRO A 70 -0.077 -6.216 -3.869 1.00 0.00 O ATOM 1041 CB PRO A 70 1.322 -3.475 -5.405 1.00 0.00 C ATOM 1042 CG PRO A 70 0.607 -2.555 -4.447 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.769 -3.115 -4.229 1.00 0.00 C ATOM 0 HA PRO A 70 0.393 -5.064 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.265 -3.823 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.560 -2.962 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.148 -2.488 -3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.550 -1.546 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.858 -3.607 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.533 -2.338 -4.263 1.00 0.00 H new ATOM 1051 N SER A 71 1.870 -6.352 -4.935 1.00 0.00 N ATOM 1052 CA SER A 71 2.409 -7.367 -4.090 1.00 0.00 C ATOM 1053 C SER A 71 3.654 -6.775 -3.417 1.00 0.00 C ATOM 1054 O SER A 71 4.081 -5.662 -3.799 1.00 0.00 O ATOM 1055 CB SER A 71 2.749 -8.593 -4.939 1.00 0.00 C ATOM 1056 OG SER A 71 1.617 -8.989 -5.711 1.00 0.00 O ATOM 0 H SER A 71 2.478 -6.096 -5.713 1.00 0.00 H new ATOM 0 HA SER A 71 1.701 -7.686 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.586 -8.366 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.064 -9.414 -4.295 1.00 0.00 H new ATOM 0 HG SER A 71 1.848 -9.773 -6.251 1.00 0.00 H new ATOM 1062 N ALA A 72 4.247 -7.496 -2.462 1.00 0.00 N ATOM 1063 CA ALA A 72 5.397 -7.005 -1.695 1.00 0.00 C ATOM 1064 C ALA A 72 6.536 -6.600 -2.603 1.00 0.00 C ATOM 1065 O ALA A 72 7.102 -5.542 -2.432 1.00 0.00 O ATOM 1066 CB ALA A 72 5.863 -8.047 -0.700 1.00 0.00 C ATOM 0 H ALA A 72 3.945 -8.434 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 72 5.072 -6.120 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.717 -7.662 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.052 -8.278 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.156 -8.952 -1.232 1.00 0.00 H new ATOM 1072 N ASP A 73 6.815 -7.426 -3.602 1.00 0.00 N ATOM 1073 CA ASP A 73 7.892 -7.166 -4.580 1.00 0.00 C ATOM 1074 C ASP A 73 7.761 -5.788 -5.206 1.00 0.00 C ATOM 1075 O ASP A 73 8.696 -4.971 -5.162 1.00 0.00 O ATOM 1076 CB ASP A 73 7.866 -8.200 -5.702 1.00 0.00 C ATOM 1077 CG ASP A 73 8.281 -9.576 -5.275 1.00 0.00 C ATOM 1078 OD1 ASP A 73 7.421 -10.368 -4.846 1.00 0.00 O ATOM 1079 OD2 ASP A 73 9.475 -9.900 -5.378 1.00 0.00 O ATOM 0 H ASP A 73 6.309 -8.296 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 73 8.832 -7.226 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.858 -8.248 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.524 -7.866 -6.505 1.00 0.00 H new ATOM 1084 N GLU A 74 6.580 -5.526 -5.734 1.00 0.00 N ATOM 1085 CA GLU A 74 6.276 -4.292 -6.434 1.00 0.00 C ATOM 1086 C GLU A 74 6.397 -3.068 -5.547 1.00 0.00 C ATOM 1087 O GLU A 74 6.890 -2.030 -5.988 1.00 0.00 O ATOM 1088 CB GLU A 74 4.882 -4.354 -7.044 1.00 0.00 C ATOM 1089 CG GLU A 74 4.746 -5.397 -8.127 1.00 0.00 C ATOM 1090 CD GLU A 74 5.729 -5.177 -9.241 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.703 -4.092 -9.857 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.534 -6.084 -9.531 1.00 0.00 O ATOM 0 H GLU A 74 5.794 -6.174 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 74 7.019 -4.192 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.158 -4.563 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.631 -3.377 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.898 -6.388 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.732 -5.375 -8.527 1.00 0.00 H new ATOM 1099 N VAL A 75 5.958 -3.183 -4.314 1.00 0.00 N ATOM 1100 CA VAL A 75 6.025 -2.056 -3.403 1.00 0.00 C ATOM 1101 C VAL A 75 7.428 -1.861 -2.825 1.00 0.00 C ATOM 1102 O VAL A 75 7.854 -0.725 -2.584 1.00 0.00 O ATOM 1103 CB VAL A 75 4.946 -2.089 -2.286 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.580 -1.815 -2.864 1.00 0.00 C ATOM 1105 CG2 VAL A 75 4.912 -3.419 -1.589 1.00 0.00 C ATOM 0 H VAL A 75 5.555 -4.033 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 75 5.795 -1.183 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 75 5.210 -1.317 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.836 -1.842 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.574 -0.831 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.341 -2.574 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.145 -3.404 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.683 -4.203 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.883 -3.617 -1.135 1.00 0.00 H new ATOM 1115 N LYS A 76 8.164 -2.961 -2.655 1.00 0.00 N ATOM 1116 CA LYS A 76 9.543 -2.908 -2.163 1.00 0.00 C ATOM 1117 C LYS A 76 10.421 -2.097 -3.088 1.00 0.00 C ATOM 1118 O LYS A 76 11.331 -1.416 -2.633 1.00 0.00 O ATOM 1119 CB LYS A 76 10.136 -4.306 -1.987 1.00 0.00 C ATOM 1120 CG LYS A 76 9.589 -5.073 -0.800 1.00 0.00 C ATOM 1121 CD LYS A 76 10.082 -6.515 -0.773 1.00 0.00 C ATOM 1122 CE LYS A 76 11.591 -6.605 -0.681 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.055 -7.999 -0.622 1.00 0.00 N ATOM 0 H LYS A 76 7.827 -3.903 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 76 9.511 -2.423 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.951 -4.883 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.217 -4.218 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.884 -4.572 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.500 -5.063 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.637 -7.033 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.744 -7.029 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.037 -6.110 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.933 -6.071 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.093 -8.017 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.650 -8.465 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.751 -8.503 -1.480 1.00 0.00 H new ATOM 1137 N ALA A 77 10.104 -2.146 -4.384 1.00 0.00 N ATOM 1138 CA ALA A 77 10.840 -1.417 -5.414 1.00 0.00 C ATOM 1139 C ALA A 77 10.891 0.077 -5.106 1.00 0.00 C ATOM 1140 O ALA A 77 11.909 0.734 -5.324 1.00 0.00 O ATOM 1141 CB ALA A 77 10.215 -1.654 -6.777 1.00 0.00 C ATOM 0 H ALA A 77 9.326 -2.696 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 77 11.863 -1.792 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.774 -1.104 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.240 -2.719 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.181 -1.309 -6.768 1.00 0.00 H new ATOM 1147 N LYS A 78 9.792 0.610 -4.613 1.00 0.00 N ATOM 1148 CA LYS A 78 9.761 1.994 -4.217 1.00 0.00 C ATOM 1149 C LYS A 78 10.274 2.181 -2.806 1.00 0.00 C ATOM 1150 O LYS A 78 11.091 3.066 -2.553 1.00 0.00 O ATOM 1151 CB LYS A 78 8.384 2.622 -4.394 1.00 0.00 C ATOM 1152 CG LYS A 78 8.016 2.821 -5.850 1.00 0.00 C ATOM 1153 CD LYS A 78 6.680 3.520 -6.021 1.00 0.00 C ATOM 1154 CE LYS A 78 6.649 4.938 -5.419 1.00 0.00 C ATOM 1155 NZ LYS A 78 7.618 5.871 -6.050 1.00 0.00 N ATOM 0 H LYS A 78 8.916 0.106 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 78 10.436 2.523 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.636 1.988 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.359 3.584 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.794 3.405 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.982 1.852 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.443 3.579 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.901 2.918 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.644 5.346 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.859 4.876 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.510 6.818 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.586 5.529 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.437 5.920 -7.073 1.00 0.00 H new ATOM 1169 N LEU A 79 9.830 1.307 -1.909 1.00 0.00 N ATOM 1170 CA LEU A 79 10.149 1.379 -0.480 1.00 0.00 C ATOM 1171 C LEU A 79 11.660 1.432 -0.215 1.00 0.00 C ATOM 1172 O LEU A 79 12.118 2.209 0.634 1.00 0.00 O ATOM 1173 CB LEU A 79 9.528 0.188 0.255 1.00 0.00 C ATOM 1174 CG LEU A 79 9.721 0.148 1.769 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.053 1.337 2.434 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.192 -1.153 2.336 1.00 0.00 C ATOM 0 H LEU A 79 9.231 0.518 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 79 9.725 2.309 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.458 0.178 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.943 -0.728 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 79 10.789 0.205 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.206 1.284 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.488 2.260 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.985 1.322 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.337 -1.165 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.129 -1.242 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.728 -1.990 1.888 1.00 0.00 H new ATOM 1188 N VAL A 80 12.413 0.634 -0.962 1.00 0.00 N ATOM 1189 CA VAL A 80 13.866 0.555 -0.818 1.00 0.00 C ATOM 1190 C VAL A 80 14.538 1.938 -1.028 1.00 0.00 C ATOM 1191 O VAL A 80 15.510 2.276 -0.354 1.00 0.00 O ATOM 1192 CB VAL A 80 14.472 -0.532 -1.781 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.257 -0.189 -3.244 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.941 -0.788 -1.503 1.00 0.00 C ATOM 0 H VAL A 80 12.036 0.022 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 80 14.078 0.247 0.206 1.00 0.00 H new ATOM 0 HB VAL A 80 13.928 -1.453 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.693 -0.969 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.189 -0.116 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.735 0.765 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.315 -1.545 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.503 0.136 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.062 -1.139 -0.478 1.00 0.00 H new ATOM 1204 N LYS A 81 13.962 2.754 -1.902 1.00 0.00 N ATOM 1205 CA LYS A 81 14.514 4.067 -2.188 1.00 0.00 C ATOM 1206 C LYS A 81 14.106 5.044 -1.103 1.00 0.00 C ATOM 1207 O LYS A 81 14.921 5.825 -0.604 1.00 0.00 O ATOM 1208 CB LYS A 81 14.015 4.602 -3.529 1.00 0.00 C ATOM 1209 CG LYS A 81 14.280 3.717 -4.722 1.00 0.00 C ATOM 1210 CD LYS A 81 13.874 4.428 -6.006 1.00 0.00 C ATOM 1211 CE LYS A 81 14.076 3.549 -7.219 1.00 0.00 C ATOM 1212 NZ LYS A 81 15.476 3.130 -7.364 1.00 0.00 N ATOM 0 H LYS A 81 13.115 2.528 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 81 15.599 3.966 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.941 4.771 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.479 5.572 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.337 3.455 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.724 2.785 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.827 4.725 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.459 5.341 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.440 2.668 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.764 4.087 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.709 3.043 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.098 3.839 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.614 2.211 -6.896 1.00 0.00 H new ATOM 1226 N ILE A 82 12.843 4.947 -0.711 1.00 0.00 N ATOM 1227 CA ILE A 82 12.220 5.853 0.263 1.00 0.00 C ATOM 1228 C ILE A 82 12.932 5.773 1.614 1.00 0.00 C ATOM 1229 O ILE A 82 13.044 6.771 2.338 1.00 0.00 O ATOM 1230 CB ILE A 82 10.726 5.503 0.464 1.00 0.00 C ATOM 1231 CG1 ILE A 82 10.006 5.448 -0.879 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.050 6.527 1.376 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.580 4.991 -0.778 1.00 0.00 C ATOM 0 H ILE A 82 12.208 4.230 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 82 12.306 6.865 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 82 10.668 4.522 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.030 6.437 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.548 4.776 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.000 6.263 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.545 6.532 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.122 7.518 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.131 4.976 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.549 3.989 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.023 5.676 -0.138 1.00 0.00 H new ATOM 1245 N ALA A 83 13.454 4.599 1.922 1.00 0.00 N ATOM 1246 CA ALA A 83 14.159 4.359 3.173 1.00 0.00 C ATOM 1247 C ALA A 83 15.522 5.083 3.224 1.00 0.00 C ATOM 1248 O ALA A 83 16.224 5.029 4.241 1.00 0.00 O ATOM 1249 CB ALA A 83 14.338 2.865 3.397 1.00 0.00 C ATOM 0 H ALA A 83 13.402 3.783 1.312 1.00 0.00 H new ATOM 0 HA ALA A 83 13.548 4.771 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.867 2.699 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.361 2.384 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.915 2.440 2.576 1.00 0.00 H new ATOM 1255 N GLY A 84 15.883 5.747 2.137 1.00 0.00 N ATOM 1256 CA GLY A 84 17.121 6.475 2.084 1.00 0.00 C ATOM 1257 C GLY A 84 18.241 5.591 1.652 1.00 0.00 C ATOM 1258 O GLY A 84 19.383 5.751 2.086 1.00 0.00 O ATOM 0 H GLY A 84 15.328 5.791 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.026 7.312 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.342 6.896 3.065 1.00 0.00 H new ATOM 1262 N LEU A 85 17.919 4.651 0.803 1.00 0.00 N ATOM 1263 CA LEU A 85 18.871 3.680 0.344 1.00 0.00 C ATOM 1264 C LEU A 85 18.796 3.601 -1.161 1.00 0.00 C ATOM 1265 O LEU A 85 17.903 4.213 -1.774 1.00 0.00 O ATOM 1266 CB LEU A 85 18.517 2.290 0.896 1.00 0.00 C ATOM 1267 CG LEU A 85 18.326 2.123 2.405 1.00 0.00 C ATOM 1268 CD1 LEU A 85 17.950 0.689 2.715 1.00 0.00 C ATOM 1269 CD2 LEU A 85 19.570 2.508 3.166 1.00 0.00 C ATOM 0 H LEU A 85 16.984 4.539 0.410 1.00 0.00 H new ATOM 0 HA LEU A 85 19.865 3.975 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.597 1.966 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.302 1.601 0.584 1.00 0.00 H new ATOM 0 HG LEU A 85 17.524 2.789 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.815 0.573 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 85 17.021 0.438 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.743 0.023 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.398 2.377 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.400 1.875 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.813 3.551 2.963 1.00 0.00 H new ATOM 1281 N GLU A 86 19.739 2.864 -1.736 1.00 0.00 N ATOM 1282 CA GLU A 86 19.783 2.502 -3.152 1.00 0.00 C ATOM 1283 C GLU A 86 20.038 3.677 -4.108 1.00 0.00 C ATOM 1284 O GLU A 86 19.270 4.634 -4.181 1.00 0.00 O ATOM 1285 CB GLU A 86 18.520 1.724 -3.564 1.00 0.00 C ATOM 1286 CG GLU A 86 18.521 1.260 -5.007 1.00 0.00 C ATOM 1287 CD GLU A 86 17.282 0.503 -5.372 1.00 0.00 C ATOM 1288 OE1 GLU A 86 17.218 -0.705 -5.096 1.00 0.00 O ATOM 1289 OE2 GLU A 86 16.350 1.105 -5.953 1.00 0.00 O ATOM 0 H GLU A 86 20.526 2.486 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 86 20.655 1.856 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.414 0.855 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.647 2.355 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.619 2.125 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.392 0.628 -5.180 1.00 0.00 H new ATOM 1296 N HIS A 87 21.113 3.580 -4.846 1.00 0.00 N ATOM 1297 CA HIS A 87 21.407 4.522 -5.902 1.00 0.00 C ATOM 1298 C HIS A 87 20.927 3.895 -7.200 1.00 0.00 C ATOM 1299 O HIS A 87 21.623 3.056 -7.778 1.00 0.00 O ATOM 1300 CB HIS A 87 22.922 4.827 -6.017 1.00 0.00 C ATOM 1301 CG HIS A 87 23.558 5.498 -4.825 1.00 0.00 C ATOM 1302 ND1 HIS A 87 23.909 6.832 -4.790 1.00 0.00 N ATOM 1303 CD2 HIS A 87 23.960 4.981 -3.638 1.00 0.00 C ATOM 1304 CE1 HIS A 87 24.504 7.076 -3.628 1.00 0.00 C ATOM 1305 NE2 HIS A 87 24.562 5.984 -2.882 1.00 0.00 N ATOM 0 H HIS A 87 21.812 2.846 -4.734 1.00 0.00 H new ATOM 0 HA HIS A 87 20.908 5.467 -5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.447 3.890 -6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 87 23.079 5.460 -6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.834 3.954 -3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 87 24.890 8.040 -3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 87 24.964 5.896 -1.949 1.00 0.00 H new ATOM 1313 N HIS A 88 19.721 4.215 -7.600 1.00 0.00 N ATOM 1314 CA HIS A 88 19.143 3.658 -8.798 1.00 0.00 C ATOM 1315 C HIS A 88 18.184 4.671 -9.401 1.00 0.00 C ATOM 1316 O HIS A 88 18.608 5.431 -10.283 1.00 0.00 O ATOM 1317 CB HIS A 88 18.437 2.321 -8.481 1.00 0.00 C ATOM 1318 CG HIS A 88 17.857 1.589 -9.666 1.00 0.00 C ATOM 1319 ND1 HIS A 88 16.624 1.664 -10.228 1.00 0.00 N flip ATOM 1320 CD2 HIS A 88 18.530 0.628 -10.376 1.00 0.00 C flip ATOM 1321 CE1 HIS A 88 16.540 0.758 -11.268 1.00 0.00 C flip ATOM 1322 NE2 HIS A 88 17.715 0.158 -11.319 1.00 0.00 N flip ATOM 0 H HIS A 88 19.113 4.868 -7.105 1.00 0.00 H new ATOM 0 HA HIS A 88 19.926 3.445 -9.526 1.00 0.00 H new ATOM 0 HB2 HIS A 88 19.151 1.663 -7.985 1.00 0.00 H new ATOM 0 HB3 HIS A 88 17.635 2.515 -7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.546 0.307 -10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.689 0.578 -11.907 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.965 -0.568 -11.990 1.00 0.00 H new TER 1330 HIS A 88