USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 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 33 TYR OH : rot 180:sc= -0.355 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.326 K(o=-0.68,f=1.3) USER MOD Set 2.1: A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 3.1: A 66 GLN : amide:sc= 0 X(o=0.66,f=0.64) USER MOD Set 3.2: A 68 TYR OH : rot 51:sc= 0.664 USER MOD Set 4.1: A 44 ASN : amide:sc= -0.517 K(o=0.6,f=-8.1!) USER MOD Set 4.2: A 110 LYS NZ :NH3+ -170:sc= 1.11 (180deg=0) USER MOD Set 5.1: A 19 SER OG : rot -160:sc= -1.21 USER MOD Set 5.2: A 22 GLN : amide:sc= 0 K(o=-1.2,f=-2.4!) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0376 (180deg=-0.31) USER MOD Single : A 12 THR OG1 : rot 70:sc= -1.23 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 20 MET CE :methyl -154:sc= -1.99 (180deg=-3.16!) USER MOD Single : A 25 ASN : amide:sc= -0.696 K(o=-0.7,f=-1.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -6.38! C(o=-6.4!,f=-2.4!) USER MOD Single : A 46 TYR OH : rot -174:sc= -1.97! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -54:sc= 0.547 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.89 K(o=-1.9,f=-7.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0928 K(o=-0.093,f=-4.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.801 K(o=-0.8,f=-1.3) USER MOD Single : A 76 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.2!) USER MOD Single : A 82 GLN : amide:sc= -8.76! C(o=-8.8!,f=-9.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 93 SER OG : rot -130:sc= 0.208 USER MOD Single : A 94 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.0737 K(o=0.074,f=-0.66) USER MOD Single : A 102 TYR OH : rot 141:sc= 0.938 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -55:sc= 0.94 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.354 12.826 -5.380 1.00 0.00 N ATOM 67 CA VAL A 8 -9.101 12.083 -5.420 1.00 0.00 C ATOM 68 C VAL A 8 -9.017 11.213 -6.670 1.00 0.00 C ATOM 69 O VAL A 8 -9.974 10.526 -7.027 1.00 0.00 O ATOM 70 CB VAL A 8 -8.938 11.190 -4.176 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.623 10.427 -4.234 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.024 12.025 -2.907 1.00 0.00 C ATOM 0 HA VAL A 8 -8.297 12.819 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.751 10.464 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.526 9.802 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.606 9.799 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.794 11.133 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.907 11.378 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.233 12.775 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.994 12.521 -2.863 1.00 0.00 H new ATOM 82 N LYS A 9 -7.865 11.248 -7.331 1.00 0.00 N ATOM 83 CA LYS A 9 -7.654 10.462 -8.541 1.00 0.00 C ATOM 84 C LYS A 9 -7.279 9.024 -8.197 1.00 0.00 C ATOM 85 O LYS A 9 -6.797 8.743 -7.100 1.00 0.00 O ATOM 86 CB LYS A 9 -6.556 11.095 -9.400 1.00 0.00 C ATOM 87 CG LYS A 9 -6.979 12.391 -10.068 1.00 0.00 C ATOM 88 CD LYS A 9 -6.002 12.801 -11.158 1.00 0.00 C ATOM 89 CE LYS A 9 -6.259 12.040 -12.450 1.00 0.00 C ATOM 90 NZ LYS A 9 -7.535 12.456 -13.095 1.00 0.00 N ATOM 0 H LYS A 9 -7.063 11.812 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.587 10.451 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.683 11.286 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.251 10.383 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.974 12.273 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.045 13.182 -9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.088 13.872 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.982 12.616 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.432 12.207 -13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.289 10.971 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.519 12.189 -14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.332 11.983 -12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.646 13.487 -13.012 1.00 0.00 H new ATOM 104 N PHE A 10 -7.502 8.117 -9.143 1.00 0.00 N ATOM 105 CA PHE A 10 -7.188 6.707 -8.940 1.00 0.00 C ATOM 106 C PHE A 10 -6.003 6.285 -9.804 1.00 0.00 C ATOM 107 O PHE A 10 -5.845 6.752 -10.932 1.00 0.00 O ATOM 108 CB PHE A 10 -8.405 5.839 -9.264 1.00 0.00 C ATOM 109 CG PHE A 10 -9.631 6.209 -8.479 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.658 6.064 -7.101 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.757 6.703 -9.119 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.785 6.404 -6.377 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.887 7.044 -8.400 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.901 6.895 -7.027 1.00 0.00 C ATOM 0 H PHE A 10 -7.899 8.333 -10.057 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.920 6.567 -7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.626 5.920 -10.328 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.159 4.795 -9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.789 5.681 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.751 6.823 -10.192 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.793 6.286 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.758 7.427 -8.911 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.782 7.162 -6.463 1.00 0.00 H new ATOM 124 N LEU A 11 -5.173 5.399 -9.265 1.00 0.00 N ATOM 125 CA LEU A 11 -4.001 4.912 -9.985 1.00 0.00 C ATOM 126 C LEU A 11 -3.028 6.051 -10.275 1.00 0.00 C ATOM 127 O LEU A 11 -2.287 6.015 -11.258 1.00 0.00 O ATOM 128 CB LEU A 11 -4.424 4.242 -11.294 1.00 0.00 C ATOM 129 CG LEU A 11 -5.417 3.086 -11.166 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.906 2.649 -12.537 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.781 1.918 -10.426 1.00 0.00 C ATOM 0 H LEU A 11 -5.289 5.003 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.497 4.179 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.862 5.001 -11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.529 3.872 -11.795 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.276 3.431 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.612 1.826 -12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.400 3.486 -13.031 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.058 2.322 -13.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.501 1.104 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.905 1.573 -10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.481 2.239 -9.429 1.00 0.00 H new ATOM 143 N THR A 12 -3.034 7.062 -9.412 1.00 0.00 N ATOM 144 CA THR A 12 -2.152 8.211 -9.574 1.00 0.00 C ATOM 145 C THR A 12 -1.438 8.544 -8.269 1.00 0.00 C ATOM 146 O THR A 12 -2.066 8.653 -7.216 1.00 0.00 O ATOM 147 CB THR A 12 -2.929 9.452 -10.052 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.232 9.473 -9.459 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.056 9.460 -11.568 1.00 0.00 C ATOM 0 H THR A 12 -3.640 7.108 -8.593 1.00 0.00 H new ATOM 0 HA THR A 12 -1.415 7.940 -10.329 1.00 0.00 H new ATOM 0 HB THR A 12 -2.376 10.340 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.152 9.661 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.608 10.346 -11.882 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.063 9.474 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.588 8.566 -11.893 1.00 0.00 H new ATOM 157 N VAL A 13 -0.120 8.705 -8.346 1.00 0.00 N ATOM 158 CA VAL A 13 0.680 9.028 -7.171 1.00 0.00 C ATOM 159 C VAL A 13 0.421 10.457 -6.706 1.00 0.00 C ATOM 160 O VAL A 13 0.756 11.416 -7.399 1.00 0.00 O ATOM 161 CB VAL A 13 2.184 8.856 -7.452 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.006 9.298 -6.251 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.495 7.412 -7.818 1.00 0.00 C ATOM 0 H VAL A 13 0.415 8.617 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 13 0.383 8.334 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 13 2.452 9.488 -8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.066 9.169 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.804 10.348 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.737 8.694 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.562 7.308 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.212 6.758 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.934 7.134 -8.710 1.00 0.00 H new ATOM 173 N ASN A 14 -0.176 10.590 -5.526 1.00 0.00 N ATOM 174 CA ASN A 14 -0.480 11.903 -4.967 1.00 0.00 C ATOM 175 C ASN A 14 0.696 12.432 -4.151 1.00 0.00 C ATOM 176 O ASN A 14 1.206 11.749 -3.263 1.00 0.00 O ATOM 177 CB ASN A 14 -1.732 11.829 -4.090 1.00 0.00 C ATOM 178 CG ASN A 14 -2.901 11.181 -4.805 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.169 11.471 -5.971 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.605 10.297 -4.107 1.00 0.00 N ATOM 0 H ASN A 14 -0.459 9.806 -4.939 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.664 12.589 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.506 11.265 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.013 12.835 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.403 9.828 -4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.347 10.087 -3.143 1.00 0.00 H new ATOM 187 N ASP A 15 1.120 13.653 -4.459 1.00 0.00 N ATOM 188 CA ASP A 15 2.234 14.275 -3.754 1.00 0.00 C ATOM 189 C ASP A 15 2.043 14.180 -2.243 1.00 0.00 C ATOM 190 O ASP A 15 2.957 13.794 -1.514 1.00 0.00 O ATOM 191 CB ASP A 15 2.376 15.740 -4.171 1.00 0.00 C ATOM 192 CG ASP A 15 3.017 15.893 -5.536 1.00 0.00 C ATOM 193 OD1 ASP A 15 2.296 15.769 -6.548 1.00 0.00 O ATOM 194 OD2 ASP A 15 4.241 16.136 -5.593 1.00 0.00 O ATOM 0 H ASP A 15 0.709 14.231 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 15 3.145 13.739 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.392 16.209 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.975 16.269 -3.430 1.00 0.00 H new ATOM 199 N ASP A 16 0.849 14.535 -1.780 1.00 0.00 N ATOM 200 CA ASP A 16 0.537 14.490 -0.356 1.00 0.00 C ATOM 201 C ASP A 16 1.155 13.257 0.297 1.00 0.00 C ATOM 202 O ASP A 16 0.653 12.144 0.141 1.00 0.00 O ATOM 203 CB ASP A 16 -0.978 14.490 -0.144 1.00 0.00 C ATOM 204 CG ASP A 16 -1.643 15.726 -0.718 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.134 16.840 -0.475 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.672 15.578 -1.410 1.00 0.00 O ATOM 0 H ASP A 16 0.082 14.857 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 16 0.961 15.378 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.407 13.602 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.193 14.428 0.923 1.00 0.00 H new ATOM 211 N ILE A 17 2.246 13.465 1.026 1.00 0.00 N ATOM 212 CA ILE A 17 2.932 12.370 1.702 1.00 0.00 C ATOM 213 C ILE A 17 2.266 12.044 3.034 1.00 0.00 C ATOM 214 O ILE A 17 1.952 12.940 3.820 1.00 0.00 O ATOM 215 CB ILE A 17 4.415 12.703 1.950 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.541 13.900 2.894 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.122 12.984 0.632 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.970 14.331 3.136 1.00 0.00 C ATOM 0 H ILE A 17 2.674 14.381 1.164 1.00 0.00 H new ATOM 0 HA ILE A 17 2.868 11.503 1.045 1.00 0.00 H new ATOM 0 HB ILE A 17 4.892 11.843 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.982 14.739 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.079 13.649 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.169 13.218 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.058 12.105 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.646 13.830 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.983 15.184 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.529 13.507 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.430 14.613 2.189 1.00 0.00 H new ATOM 230 N LEU A 18 2.054 10.757 3.284 1.00 0.00 N ATOM 231 CA LEU A 18 1.427 10.311 4.523 1.00 0.00 C ATOM 232 C LEU A 18 1.858 8.889 4.870 1.00 0.00 C ATOM 233 O LEU A 18 1.991 8.038 3.991 1.00 0.00 O ATOM 234 CB LEU A 18 -0.096 10.379 4.401 1.00 0.00 C ATOM 235 CG LEU A 18 -0.706 11.781 4.393 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.196 11.713 4.092 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.460 12.478 5.723 1.00 0.00 C ATOM 0 H LEU A 18 2.307 10.003 2.645 1.00 0.00 H new ATOM 0 HA LEU A 18 1.751 10.975 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.390 9.871 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.532 9.819 5.228 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.223 12.362 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.613 12.720 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.349 11.255 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.694 11.115 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.901 13.474 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.915 11.899 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.613 12.560 5.898 1.00 0.00 H new ATOM 249 N SER A 19 2.071 8.639 6.158 1.00 0.00 N ATOM 250 CA SER A 19 2.487 7.320 6.622 1.00 0.00 C ATOM 251 C SER A 19 1.516 6.245 6.145 1.00 0.00 C ATOM 252 O SER A 19 0.401 6.545 5.719 1.00 0.00 O ATOM 253 CB SER A 19 2.580 7.299 8.149 1.00 0.00 C ATOM 254 OG SER A 19 1.295 7.188 8.736 1.00 0.00 O ATOM 0 H SER A 19 1.963 9.332 6.899 1.00 0.00 H new ATOM 0 HA SER A 19 3.470 7.108 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.202 6.463 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.066 8.209 8.500 1.00 0.00 H new ATOM 0 HG SER A 19 1.334 7.489 9.668 1.00 0.00 H new ATOM 260 N MET A 20 1.949 4.990 6.220 1.00 0.00 N ATOM 261 CA MET A 20 1.117 3.869 5.797 1.00 0.00 C ATOM 262 C MET A 20 -0.244 3.913 6.484 1.00 0.00 C ATOM 263 O MET A 20 -1.292 3.836 5.842 1.00 0.00 O ATOM 264 CB MET A 20 1.816 2.544 6.107 1.00 0.00 C ATOM 265 CG MET A 20 1.559 1.464 5.067 1.00 0.00 C ATOM 266 SD MET A 20 0.109 0.463 5.449 1.00 0.00 S ATOM 267 CE MET A 20 -0.285 -0.194 3.830 1.00 0.00 C ATOM 0 H MET A 20 2.870 4.724 6.569 1.00 0.00 H new ATOM 0 HA MET A 20 0.963 3.947 4.721 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.890 2.717 6.181 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.483 2.186 7.081 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.427 1.930 4.090 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.434 0.817 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.348 -0.429 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.042 0.547 3.068 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.296 -1.100 3.654 1.00 0.00 H new ATOM 277 N PRO A 21 -0.231 4.038 7.819 1.00 0.00 N ATOM 278 CA PRO A 21 -1.457 4.094 8.621 1.00 0.00 C ATOM 279 C PRO A 21 -2.229 5.392 8.409 1.00 0.00 C ATOM 280 O PRO A 21 -3.321 5.569 8.947 1.00 0.00 O ATOM 281 CB PRO A 21 -0.943 4.006 10.060 1.00 0.00 C ATOM 282 CG PRO A 21 0.450 4.530 9.998 1.00 0.00 C ATOM 283 CD PRO A 21 0.982 4.134 8.649 1.00 0.00 C ATOM 0 HA PRO A 21 -2.156 3.301 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.559 4.598 10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.964 2.979 10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.465 5.613 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.061 4.110 10.797 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.679 4.876 8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.517 3.185 8.691 1.00 0.00 H new ATOM 291 N GLN A 22 -1.653 6.296 7.622 1.00 0.00 N ATOM 292 CA GLN A 22 -2.289 7.577 7.341 1.00 0.00 C ATOM 293 C GLN A 22 -2.840 7.611 5.919 1.00 0.00 C ATOM 294 O GLN A 22 -3.839 8.275 5.646 1.00 0.00 O ATOM 295 CB GLN A 22 -1.291 8.720 7.540 1.00 0.00 C ATOM 296 CG GLN A 22 -1.200 9.203 8.979 1.00 0.00 C ATOM 297 CD GLN A 22 -0.449 10.514 9.107 1.00 0.00 C ATOM 298 OE1 GLN A 22 0.659 10.661 8.591 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.050 11.475 9.799 1.00 0.00 N ATOM 0 H GLN A 22 -0.749 6.165 7.169 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.119 7.702 8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.305 8.392 7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.577 9.556 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.205 9.324 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.703 8.443 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.969 11.309 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.593 12.379 9.920 1.00 0.00 H new ATOM 308 N ALA A 23 -2.182 6.890 5.017 1.00 0.00 N ATOM 309 CA ALA A 23 -2.607 6.836 3.624 1.00 0.00 C ATOM 310 C ALA A 23 -3.845 5.959 3.462 1.00 0.00 C ATOM 311 O ALA A 23 -4.921 6.447 3.114 1.00 0.00 O ATOM 312 CB ALA A 23 -1.476 6.322 2.746 1.00 0.00 C ATOM 0 H ALA A 23 -1.352 6.335 5.226 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.865 7.847 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.808 6.287 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.618 6.989 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.190 5.321 3.069 1.00 0.00 H new ATOM 318 N ARG A 24 -3.684 4.664 3.714 1.00 0.00 N ATOM 319 CA ARG A 24 -4.788 3.720 3.594 1.00 0.00 C ATOM 320 C ARG A 24 -6.077 4.316 4.155 1.00 0.00 C ATOM 321 O ARG A 24 -7.148 4.166 3.568 1.00 0.00 O ATOM 322 CB ARG A 24 -4.456 2.418 4.324 1.00 0.00 C ATOM 323 CG ARG A 24 -4.326 2.580 5.830 1.00 0.00 C ATOM 324 CD ARG A 24 -3.693 1.355 6.470 1.00 0.00 C ATOM 325 NE ARG A 24 -4.001 1.260 7.894 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.968 0.122 8.579 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.643 -1.011 7.973 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.261 0.117 9.873 1.00 0.00 N ATOM 0 H ARG A 24 -2.800 4.245 4.002 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.937 3.507 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.233 1.684 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.523 2.017 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.722 3.460 6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.311 2.751 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.046 0.458 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.612 1.393 6.335 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.255 2.114 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.417 -1.011 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.618 -1.883 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.512 0.987 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.236 -0.757 10.398 1.00 0.00 H new ATOM 342 N ASN A 25 -5.964 4.990 5.294 1.00 0.00 N ATOM 343 CA ASN A 25 -7.120 5.607 5.935 1.00 0.00 C ATOM 344 C ASN A 25 -7.695 6.719 5.063 1.00 0.00 C ATOM 345 O ASN A 25 -8.911 6.904 4.996 1.00 0.00 O ATOM 346 CB ASN A 25 -6.731 6.167 7.305 1.00 0.00 C ATOM 347 CG ASN A 25 -7.561 7.375 7.692 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.781 7.385 7.521 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.903 8.402 8.217 1.00 0.00 N ATOM 0 H ASN A 25 -5.084 5.123 5.793 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.884 4.841 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.851 5.390 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.676 6.442 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.409 9.242 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.892 8.350 8.341 1.00 0.00 H new ATOM 356 N PHE A 26 -6.814 7.458 4.397 1.00 0.00 N ATOM 357 CA PHE A 26 -7.234 8.552 3.529 1.00 0.00 C ATOM 358 C PHE A 26 -8.020 8.026 2.332 1.00 0.00 C ATOM 359 O PHE A 26 -9.202 8.332 2.167 1.00 0.00 O ATOM 360 CB PHE A 26 -6.018 9.344 3.047 1.00 0.00 C ATOM 361 CG PHE A 26 -6.368 10.485 2.135 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.745 10.249 0.822 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.322 11.793 2.590 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.068 11.298 -0.019 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.643 12.845 1.753 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.018 12.597 0.448 1.00 0.00 C ATOM 0 H PHE A 26 -5.804 7.319 4.442 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.883 9.211 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.481 9.733 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.338 8.669 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.787 9.235 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.032 11.993 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.359 11.102 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.600 13.860 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.272 13.417 -0.207 1.00 0.00 H new ATOM 376 N CYS A 27 -7.356 7.232 1.498 1.00 0.00 N ATOM 377 CA CYS A 27 -7.990 6.663 0.315 1.00 0.00 C ATOM 378 C CYS A 27 -9.380 6.129 0.647 1.00 0.00 C ATOM 379 O CYS A 27 -10.329 6.324 -0.113 1.00 0.00 O ATOM 380 CB CYS A 27 -7.125 5.542 -0.263 1.00 0.00 C ATOM 381 SG CYS A 27 -5.553 6.113 -0.987 1.00 0.00 S ATOM 0 H CYS A 27 -6.378 6.968 1.620 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.092 7.454 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.909 4.821 0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.695 5.016 -1.028 1.00 0.00 H new ATOM 386 N ALA A 28 -9.492 5.453 1.786 1.00 0.00 N ATOM 387 CA ALA A 28 -10.765 4.892 2.219 1.00 0.00 C ATOM 388 C ALA A 28 -11.821 5.982 2.373 1.00 0.00 C ATOM 389 O ALA A 28 -12.949 5.838 1.900 1.00 0.00 O ATOM 390 CB ALA A 28 -10.591 4.135 3.528 1.00 0.00 C ATOM 0 H ALA A 28 -8.716 5.281 2.425 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.107 4.196 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.550 3.721 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.875 3.325 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.223 4.816 4.296 1.00 0.00 H new ATOM 396 N SER A 29 -11.449 7.071 3.038 1.00 0.00 N ATOM 397 CA SER A 29 -12.366 8.183 3.258 1.00 0.00 C ATOM 398 C SER A 29 -12.843 8.764 1.931 1.00 0.00 C ATOM 399 O SER A 29 -14.025 9.061 1.761 1.00 0.00 O ATOM 400 CB SER A 29 -11.688 9.273 4.091 1.00 0.00 C ATOM 401 OG SER A 29 -11.878 9.049 5.477 1.00 0.00 O ATOM 0 H SER A 29 -10.519 7.207 3.434 1.00 0.00 H new ATOM 0 HA SER A 29 -13.232 7.806 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.622 9.296 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.093 10.248 3.818 1.00 0.00 H new ATOM 0 HG SER A 29 -11.434 9.758 5.987 1.00 0.00 H new ATOM 407 N ALA A 30 -11.915 8.923 0.994 1.00 0.00 N ATOM 408 CA ALA A 30 -12.241 9.466 -0.319 1.00 0.00 C ATOM 409 C ALA A 30 -13.179 8.537 -1.081 1.00 0.00 C ATOM 410 O ALA A 30 -14.076 8.989 -1.791 1.00 0.00 O ATOM 411 CB ALA A 30 -10.970 9.708 -1.120 1.00 0.00 C ATOM 0 H ALA A 30 -10.931 8.684 1.119 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.754 10.417 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.228 10.113 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.335 10.417 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.435 8.767 -1.247 1.00 0.00 H new ATOM 417 N GLY A 31 -12.966 7.233 -0.928 1.00 0.00 N ATOM 418 CA GLY A 31 -13.801 6.260 -1.608 1.00 0.00 C ATOM 419 C GLY A 31 -12.990 5.249 -2.394 1.00 0.00 C ATOM 420 O GLY A 31 -13.391 4.829 -3.479 1.00 0.00 O ATOM 0 H GLY A 31 -12.230 6.834 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.415 5.737 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.482 6.779 -2.283 1.00 0.00 H new ATOM 424 N GLY A 32 -11.845 4.856 -1.845 1.00 0.00 N ATOM 425 CA GLY A 32 -10.993 3.892 -2.516 1.00 0.00 C ATOM 426 C GLY A 32 -10.094 3.142 -1.552 1.00 0.00 C ATOM 427 O GLY A 32 -10.351 3.114 -0.348 1.00 0.00 O ATOM 0 H GLY A 32 -11.492 5.188 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.614 3.179 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.379 4.407 -3.255 1.00 0.00 H new ATOM 431 N TYR A 33 -9.040 2.533 -2.082 1.00 0.00 N ATOM 432 CA TYR A 33 -8.103 1.775 -1.261 1.00 0.00 C ATOM 433 C TYR A 33 -6.738 1.681 -1.937 1.00 0.00 C ATOM 434 O TYR A 33 -6.614 1.894 -3.144 1.00 0.00 O ATOM 435 CB TYR A 33 -8.648 0.372 -0.990 1.00 0.00 C ATOM 436 CG TYR A 33 -8.516 -0.567 -2.167 1.00 0.00 C ATOM 437 CD1 TYR A 33 -9.369 -0.466 -3.260 1.00 0.00 C ATOM 438 CD2 TYR A 33 -7.540 -1.555 -2.187 1.00 0.00 C ATOM 439 CE1 TYR A 33 -9.253 -1.322 -4.338 1.00 0.00 C ATOM 440 CE2 TYR A 33 -7.416 -2.414 -3.262 1.00 0.00 C ATOM 441 CZ TYR A 33 -8.274 -2.294 -4.335 1.00 0.00 C ATOM 442 OH TYR A 33 -8.154 -3.149 -5.406 1.00 0.00 O ATOM 0 H TYR A 33 -8.813 2.549 -3.076 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.984 2.300 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.122 -0.054 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.699 0.447 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.136 0.295 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.867 -1.653 -1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.925 -1.231 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.651 -3.176 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.415 -3.772 -5.246 1.00 0.00 H new ATOM 452 N LEU A 34 -5.717 1.360 -1.151 1.00 0.00 N ATOM 453 CA LEU A 34 -4.360 1.236 -1.672 1.00 0.00 C ATOM 454 C LEU A 34 -4.323 0.301 -2.877 1.00 0.00 C ATOM 455 O LEU A 34 -4.941 -0.763 -2.869 1.00 0.00 O ATOM 456 CB LEU A 34 -3.419 0.719 -0.582 1.00 0.00 C ATOM 457 CG LEU A 34 -2.930 1.757 0.429 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.181 1.081 1.567 1.00 0.00 C ATOM 459 CD2 LEU A 34 -2.046 2.791 -0.253 1.00 0.00 C ATOM 0 H LEU A 34 -5.803 1.181 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.028 2.224 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.928 -0.077 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.549 0.271 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.798 2.268 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.840 1.835 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.844 0.379 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.321 0.544 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.707 3.522 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.182 2.296 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.614 3.298 -1.033 1.00 0.00 H new ATOM 471 N ALA A 35 -3.591 0.705 -3.910 1.00 0.00 N ATOM 472 CA ALA A 35 -3.470 -0.098 -5.120 1.00 0.00 C ATOM 473 C ALA A 35 -2.403 -1.176 -4.959 1.00 0.00 C ATOM 474 O ALA A 35 -1.264 -0.887 -4.592 1.00 0.00 O ATOM 475 CB ALA A 35 -3.148 0.790 -6.313 1.00 0.00 C ATOM 0 H ALA A 35 -3.073 1.583 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.426 -0.592 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.060 0.177 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.946 1.520 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.207 1.310 -6.136 1.00 0.00 H new ATOM 481 N ASP A 36 -2.780 -2.420 -5.235 1.00 0.00 N ATOM 482 CA ASP A 36 -1.855 -3.542 -5.120 1.00 0.00 C ATOM 483 C ASP A 36 -0.972 -3.647 -6.360 1.00 0.00 C ATOM 484 O ASP A 36 -1.355 -3.212 -7.446 1.00 0.00 O ATOM 485 CB ASP A 36 -2.626 -4.847 -4.916 1.00 0.00 C ATOM 486 CG ASP A 36 -3.851 -4.941 -5.804 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.683 -5.063 -7.036 1.00 0.00 O ATOM 488 OD2 ASP A 36 -4.977 -4.894 -5.267 1.00 0.00 O ATOM 0 H ASP A 36 -3.719 -2.677 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.216 -3.367 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.967 -5.691 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.930 -4.926 -3.872 1.00 0.00 H new ATOM 493 N ASP A 37 0.211 -4.226 -6.190 1.00 0.00 N ATOM 494 CA ASP A 37 1.149 -4.389 -7.294 1.00 0.00 C ATOM 495 C ASP A 37 1.237 -5.850 -7.723 1.00 0.00 C ATOM 496 O ASP A 37 2.314 -6.348 -8.053 1.00 0.00 O ATOM 497 CB ASP A 37 2.535 -3.878 -6.895 1.00 0.00 C ATOM 498 CG ASP A 37 2.711 -2.399 -7.179 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.893 -1.597 -6.679 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.666 -2.044 -7.900 1.00 0.00 O ATOM 0 H ASP A 37 0.543 -4.591 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 37 0.783 -3.803 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.695 -4.063 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.296 -4.442 -7.435 1.00 0.00 H new ATOM 505 N LEU A 38 0.097 -6.533 -7.714 1.00 0.00 N ATOM 506 CA LEU A 38 0.044 -7.938 -8.101 1.00 0.00 C ATOM 507 C LEU A 38 -0.242 -8.082 -9.593 1.00 0.00 C ATOM 508 O LEU A 38 -1.367 -7.869 -10.043 1.00 0.00 O ATOM 509 CB LEU A 38 -1.028 -8.670 -7.292 1.00 0.00 C ATOM 510 CG LEU A 38 -0.762 -8.803 -5.792 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.063 -9.029 -5.037 1.00 0.00 C ATOM 512 CD2 LEU A 38 0.217 -9.937 -5.522 1.00 0.00 C ATOM 0 H LEU A 38 -0.803 -6.136 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 38 1.016 -8.384 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.976 -8.150 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.150 -9.670 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.317 -7.873 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.854 -9.121 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.732 -8.185 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.537 -9.943 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.394 -10.017 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.200 -10.874 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.159 -9.734 -6.031 1.00 0.00 H new ATOM 524 N GLY A 39 0.785 -8.447 -10.354 1.00 0.00 N ATOM 525 CA GLY A 39 0.623 -8.615 -11.787 1.00 0.00 C ATOM 526 C GLY A 39 1.701 -7.903 -12.580 1.00 0.00 C ATOM 527 O GLY A 39 1.971 -6.724 -12.352 1.00 0.00 O ATOM 0 H GLY A 39 1.726 -8.629 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.640 -9.678 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.354 -8.236 -12.086 1.00 0.00 H new ATOM 531 N ASP A 40 2.318 -8.620 -13.512 1.00 0.00 N ATOM 532 CA ASP A 40 3.374 -8.049 -14.341 1.00 0.00 C ATOM 533 C ASP A 40 2.908 -6.754 -14.998 1.00 0.00 C ATOM 534 O ASP A 40 3.687 -5.816 -15.166 1.00 0.00 O ATOM 535 CB ASP A 40 3.808 -9.051 -15.412 1.00 0.00 C ATOM 536 CG ASP A 40 4.325 -8.371 -16.665 1.00 0.00 C ATOM 537 OD1 ASP A 40 5.499 -7.943 -16.667 1.00 0.00 O ATOM 538 OD2 ASP A 40 3.557 -8.268 -17.644 1.00 0.00 O ATOM 0 H ASP A 40 2.106 -9.597 -13.713 1.00 0.00 H new ATOM 0 HA ASP A 40 4.225 -7.824 -13.699 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.585 -9.698 -15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.964 -9.690 -15.671 1.00 0.00 H new ATOM 543 N ASP A 41 1.633 -6.710 -15.369 1.00 0.00 N ATOM 544 CA ASP A 41 1.062 -5.529 -16.008 1.00 0.00 C ATOM 545 C ASP A 41 0.786 -4.436 -14.980 1.00 0.00 C ATOM 546 O ASP A 41 0.813 -3.247 -15.300 1.00 0.00 O ATOM 547 CB ASP A 41 -0.229 -5.894 -16.742 1.00 0.00 C ATOM 548 CG ASP A 41 0.025 -6.357 -18.163 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.477 -5.532 -18.984 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.229 -7.545 -18.455 1.00 0.00 O ATOM 0 H ASP A 41 0.975 -7.478 -15.238 1.00 0.00 H new ATOM 0 HA ASP A 41 1.786 -5.150 -16.730 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.746 -6.681 -16.193 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.892 -5.029 -16.758 1.00 0.00 H new ATOM 555 N LYS A 42 0.520 -4.845 -13.745 1.00 0.00 N ATOM 556 CA LYS A 42 0.239 -3.901 -12.669 1.00 0.00 C ATOM 557 C LYS A 42 1.512 -3.192 -12.221 1.00 0.00 C ATOM 558 O LYS A 42 1.528 -1.973 -12.053 1.00 0.00 O ATOM 559 CB LYS A 42 -0.399 -4.626 -11.482 1.00 0.00 C ATOM 560 CG LYS A 42 -1.346 -3.754 -10.675 1.00 0.00 C ATOM 561 CD LYS A 42 -2.707 -3.644 -11.342 1.00 0.00 C ATOM 562 CE LYS A 42 -3.394 -2.332 -10.995 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.752 -2.240 -11.599 1.00 0.00 N ATOM 0 H LYS A 42 0.493 -5.825 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.458 -3.153 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.943 -5.497 -11.848 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.389 -4.996 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.463 -4.171 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.916 -2.759 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.591 -3.720 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.335 -4.478 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.471 -2.238 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.784 -1.499 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.187 -1.332 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.677 -2.304 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.343 -3.020 -11.246 1.00 0.00 H new ATOM 577 N ASN A 43 2.578 -3.962 -12.031 1.00 0.00 N ATOM 578 CA ASN A 43 3.857 -3.406 -11.604 1.00 0.00 C ATOM 579 C ASN A 43 4.439 -2.493 -12.678 1.00 0.00 C ATOM 580 O ASN A 43 4.823 -1.357 -12.400 1.00 0.00 O ATOM 581 CB ASN A 43 4.844 -4.531 -11.284 1.00 0.00 C ATOM 582 CG ASN A 43 6.284 -4.055 -11.294 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.927 -3.965 -10.248 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.798 -3.748 -12.480 1.00 0.00 N ATOM 0 H ASN A 43 2.582 -4.973 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 43 3.686 -2.815 -10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.609 -4.950 -10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.724 -5.334 -12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.762 -3.423 -12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.228 -3.838 -13.321 1.00 0.00 H new ATOM 591 N ASN A 44 4.502 -2.997 -13.906 1.00 0.00 N ATOM 592 CA ASN A 44 5.037 -2.227 -15.023 1.00 0.00 C ATOM 593 C ASN A 44 4.319 -0.887 -15.153 1.00 0.00 C ATOM 594 O ASN A 44 4.953 0.166 -15.219 1.00 0.00 O ATOM 595 CB ASN A 44 4.905 -3.019 -16.325 1.00 0.00 C ATOM 596 CG ASN A 44 5.903 -4.157 -16.414 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.059 -4.016 -16.016 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.459 -5.293 -16.938 1.00 0.00 N ATOM 0 H ASN A 44 4.189 -3.936 -14.153 1.00 0.00 H new ATOM 0 HA ASN A 44 6.092 -2.036 -14.828 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.894 -3.419 -16.403 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.048 -2.347 -17.172 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.085 -6.094 -17.024 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.492 -5.365 -17.255 1.00 0.00 H new ATOM 605 N PHE A 45 2.991 -0.935 -15.190 1.00 0.00 N ATOM 606 CA PHE A 45 2.186 0.274 -15.313 1.00 0.00 C ATOM 607 C PHE A 45 2.570 1.295 -14.245 1.00 0.00 C ATOM 608 O PHE A 45 2.509 2.503 -14.475 1.00 0.00 O ATOM 609 CB PHE A 45 0.698 -0.065 -15.199 1.00 0.00 C ATOM 610 CG PHE A 45 -0.162 1.120 -14.862 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.334 2.149 -15.774 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.800 1.204 -13.635 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.125 3.241 -15.468 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.592 2.292 -13.324 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.754 3.312 -14.241 1.00 0.00 C ATOM 0 H PHE A 45 2.450 -1.798 -15.137 1.00 0.00 H new ATOM 0 HA PHE A 45 2.378 0.710 -16.293 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.358 -0.495 -16.141 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.565 -0.830 -14.434 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.156 2.097 -16.735 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.677 0.410 -12.914 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.251 4.037 -16.187 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.084 2.345 -12.364 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.372 4.164 -13.999 1.00 0.00 H new ATOM 625 N TYR A 46 2.965 0.800 -13.078 1.00 0.00 N ATOM 626 CA TYR A 46 3.357 1.667 -11.973 1.00 0.00 C ATOM 627 C TYR A 46 4.771 2.203 -12.176 1.00 0.00 C ATOM 628 O TYR A 46 5.015 3.404 -12.057 1.00 0.00 O ATOM 629 CB TYR A 46 3.272 0.909 -10.647 1.00 0.00 C ATOM 630 CG TYR A 46 1.856 0.620 -10.205 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.867 1.593 -10.291 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.505 -0.627 -9.701 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.428 1.333 -9.887 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.212 -0.896 -9.296 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.750 0.087 -9.390 1.00 0.00 C ATOM 636 OH TYR A 46 -2.040 -0.176 -8.988 1.00 0.00 O ATOM 0 H TYR A 46 3.022 -0.197 -12.872 1.00 0.00 H new ATOM 0 HA TYR A 46 2.668 2.512 -11.946 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.814 -0.032 -10.741 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.774 1.490 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.115 2.569 -10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.256 -1.399 -9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.184 2.101 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.044 -1.871 -8.908 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.080 -1.064 -8.576 1.00 0.00 H new ATOM 646 N SER A 47 5.699 1.303 -12.484 1.00 0.00 N ATOM 647 CA SER A 47 7.090 1.683 -12.701 1.00 0.00 C ATOM 648 C SER A 47 7.183 2.925 -13.583 1.00 0.00 C ATOM 649 O SER A 47 7.984 3.824 -13.326 1.00 0.00 O ATOM 650 CB SER A 47 7.862 0.529 -13.343 1.00 0.00 C ATOM 651 OG SER A 47 9.231 0.858 -13.503 1.00 0.00 O ATOM 0 H SER A 47 5.513 0.306 -12.589 1.00 0.00 H new ATOM 0 HA SER A 47 7.533 1.913 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.769 -0.364 -12.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.426 0.291 -14.313 1.00 0.00 H new ATOM 0 HG SER A 47 9.703 0.104 -13.914 1.00 0.00 H new ATOM 657 N SER A 48 6.357 2.967 -14.624 1.00 0.00 N ATOM 658 CA SER A 48 6.347 4.096 -15.547 1.00 0.00 C ATOM 659 C SER A 48 6.056 5.399 -14.809 1.00 0.00 C ATOM 660 O SER A 48 6.836 6.349 -14.874 1.00 0.00 O ATOM 661 CB SER A 48 5.306 3.875 -16.645 1.00 0.00 C ATOM 662 OG SER A 48 4.008 3.725 -16.095 1.00 0.00 O ATOM 0 H SER A 48 5.686 2.232 -14.849 1.00 0.00 H new ATOM 0 HA SER A 48 7.335 4.170 -16.002 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.317 4.718 -17.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.565 2.987 -17.222 1.00 0.00 H new ATOM 0 HG SER A 48 4.017 3.008 -15.427 1.00 0.00 H new ATOM 668 N ILE A 49 4.929 5.434 -14.107 1.00 0.00 N ATOM 669 CA ILE A 49 4.535 6.620 -13.355 1.00 0.00 C ATOM 670 C ILE A 49 5.387 6.784 -12.102 1.00 0.00 C ATOM 671 O ILE A 49 5.401 7.848 -11.484 1.00 0.00 O ATOM 672 CB ILE A 49 3.050 6.560 -12.948 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.806 5.385 -11.999 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.167 6.444 -14.182 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.536 5.519 -11.187 1.00 0.00 C ATOM 0 H ILE A 49 4.273 4.656 -14.043 1.00 0.00 H new ATOM 0 HA ILE A 49 4.690 7.476 -14.011 1.00 0.00 H new ATOM 0 HB ILE A 49 2.793 7.482 -12.427 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.762 4.463 -12.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.654 5.294 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.121 6.403 -13.878 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.324 7.310 -14.825 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.422 5.536 -14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.427 4.651 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.586 6.423 -10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.679 5.579 -11.858 1.00 0.00 H new ATOM 687 N ALA A 50 6.100 5.725 -11.734 1.00 0.00 N ATOM 688 CA ALA A 50 6.959 5.753 -10.557 1.00 0.00 C ATOM 689 C ALA A 50 8.358 6.245 -10.910 1.00 0.00 C ATOM 690 O ALA A 50 9.327 5.943 -10.213 1.00 0.00 O ATOM 691 CB ALA A 50 7.027 4.373 -9.920 1.00 0.00 C ATOM 0 H ALA A 50 6.100 4.836 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 50 6.528 6.451 -9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.672 4.409 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.026 4.060 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.432 3.660 -10.639 1.00 0.00 H new ATOM 697 N ALA A 51 8.457 7.003 -11.997 1.00 0.00 N ATOM 698 CA ALA A 51 9.738 7.537 -12.442 1.00 0.00 C ATOM 699 C ALA A 51 10.429 8.309 -11.323 1.00 0.00 C ATOM 700 O ALA A 51 10.142 9.483 -11.097 1.00 0.00 O ATOM 701 CB ALA A 51 9.544 8.429 -13.659 1.00 0.00 C ATOM 0 H ALA A 51 7.665 7.261 -12.586 1.00 0.00 H new ATOM 0 HA ALA A 51 10.377 6.698 -12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.509 8.821 -13.980 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.100 7.849 -14.468 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.884 9.257 -13.402 1.00 0.00 H new ATOM 707 N ASN A 52 11.342 7.640 -10.625 1.00 0.00 N ATOM 708 CA ASN A 52 12.073 8.264 -9.529 1.00 0.00 C ATOM 709 C ASN A 52 11.120 8.712 -8.425 1.00 0.00 C ATOM 710 O ASN A 52 11.317 9.758 -7.805 1.00 0.00 O ATOM 711 CB ASN A 52 12.878 9.461 -10.040 1.00 0.00 C ATOM 712 CG ASN A 52 13.930 9.059 -11.056 1.00 0.00 C ATOM 713 OD1 ASN A 52 15.062 8.732 -10.698 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.559 9.081 -12.331 1.00 0.00 N ATOM 0 H ASN A 52 11.592 6.667 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 52 12.758 7.524 -9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.200 10.186 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.361 9.957 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.223 8.820 -13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.610 9.359 -12.581 1.00 0.00 H new ATOM 721 N THR A 53 10.086 7.913 -8.183 1.00 0.00 N ATOM 722 CA THR A 53 9.102 8.226 -7.154 1.00 0.00 C ATOM 723 C THR A 53 8.763 6.994 -6.324 1.00 0.00 C ATOM 724 O THR A 53 8.458 5.933 -6.868 1.00 0.00 O ATOM 725 CB THR A 53 7.806 8.789 -7.769 1.00 0.00 C ATOM 726 OG1 THR A 53 8.113 9.881 -8.644 1.00 0.00 O ATOM 727 CG2 THR A 53 6.850 9.257 -6.683 1.00 0.00 C ATOM 0 H THR A 53 9.908 7.044 -8.686 1.00 0.00 H new ATOM 0 HA THR A 53 9.549 8.983 -6.509 1.00 0.00 H new ATOM 0 HB THR A 53 7.324 7.993 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.284 10.232 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.943 9.650 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.595 8.418 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.326 10.039 -6.092 1.00 0.00 H new ATOM 735 N GLN A 54 8.817 7.142 -5.004 1.00 0.00 N ATOM 736 CA GLN A 54 8.516 6.040 -4.099 1.00 0.00 C ATOM 737 C GLN A 54 7.195 6.276 -3.374 1.00 0.00 C ATOM 738 O GLN A 54 7.010 7.301 -2.717 1.00 0.00 O ATOM 739 CB GLN A 54 9.645 5.863 -3.082 1.00 0.00 C ATOM 740 CG GLN A 54 11.027 5.806 -3.712 1.00 0.00 C ATOM 741 CD GLN A 54 12.129 5.628 -2.686 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.934 5.887 -1.498 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.295 5.184 -3.140 1.00 0.00 N ATOM 0 H GLN A 54 9.066 8.014 -4.538 1.00 0.00 H new ATOM 0 HA GLN A 54 8.426 5.130 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.613 6.687 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.474 4.946 -2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.063 4.983 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.204 6.723 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.412 4.982 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.074 5.045 -2.496 1.00 0.00 H new ATOM 752 N PHE A 55 6.278 5.322 -3.498 1.00 0.00 N ATOM 753 CA PHE A 55 4.973 5.428 -2.856 1.00 0.00 C ATOM 754 C PHE A 55 4.595 4.116 -2.175 1.00 0.00 C ATOM 755 O PHE A 55 5.187 3.071 -2.444 1.00 0.00 O ATOM 756 CB PHE A 55 3.905 5.809 -3.883 1.00 0.00 C ATOM 757 CG PHE A 55 3.778 4.824 -5.009 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.799 4.673 -5.934 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.638 4.048 -5.144 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.684 3.768 -6.972 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.518 3.141 -6.180 1.00 0.00 C ATOM 762 CZ PHE A 55 3.543 3.000 -7.094 1.00 0.00 C ATOM 0 H PHE A 55 6.415 4.467 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 55 5.031 6.208 -2.097 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.943 5.898 -3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.141 6.790 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.695 5.269 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.834 4.153 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.486 3.661 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.623 2.543 -6.274 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.453 2.290 -7.903 1.00 0.00 H new ATOM 772 N TRP A 56 3.606 4.179 -1.291 1.00 0.00 N ATOM 773 CA TRP A 56 3.148 2.996 -0.570 1.00 0.00 C ATOM 774 C TRP A 56 2.286 2.113 -1.465 1.00 0.00 C ATOM 775 O TRP A 56 1.938 2.498 -2.582 1.00 0.00 O ATOM 776 CB TRP A 56 2.360 3.406 0.675 1.00 0.00 C ATOM 777 CG TRP A 56 3.202 4.080 1.716 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.129 5.386 2.109 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.243 3.482 2.495 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.063 5.636 3.085 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.759 4.484 3.340 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.790 2.198 2.562 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.794 4.239 4.239 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.817 1.957 3.454 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.310 2.973 4.283 1.00 0.00 C ATOM 0 H TRP A 56 3.106 5.036 -1.056 1.00 0.00 H new ATOM 0 HA TRP A 56 4.025 2.425 -0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.553 4.077 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.896 2.521 1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.439 6.115 1.711 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.214 6.534 3.545 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.416 1.408 1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.176 5.021 4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.247 0.968 3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.113 2.752 4.970 1.00 0.00 H new ATOM 796 N ILE A 57 1.944 0.929 -0.968 1.00 0.00 N ATOM 797 CA ILE A 57 1.121 -0.007 -1.723 1.00 0.00 C ATOM 798 C ILE A 57 0.265 -0.860 -0.793 1.00 0.00 C ATOM 799 O ILE A 57 0.324 -0.717 0.427 1.00 0.00 O ATOM 800 CB ILE A 57 1.983 -0.933 -2.602 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.094 -1.574 -1.768 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.572 -0.156 -3.770 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.049 -2.420 -2.581 1.00 0.00 C ATOM 0 H ILE A 57 2.224 0.595 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 57 0.473 0.590 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 57 1.350 -1.726 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.657 -0.789 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.644 -2.193 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.179 -0.823 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.766 0.258 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.194 0.654 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.810 -2.843 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.499 -3.227 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.528 -1.801 -3.340 1.00 0.00 H new ATOM 815 N GLY A 58 -0.531 -1.750 -1.380 1.00 0.00 N ATOM 816 CA GLY A 58 -1.387 -2.614 -0.589 1.00 0.00 C ATOM 817 C GLY A 58 -0.604 -3.661 0.178 1.00 0.00 C ATOM 818 O GLY A 58 -1.140 -4.315 1.074 1.00 0.00 O ATOM 0 H GLY A 58 -0.598 -1.887 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.961 -2.008 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.104 -3.109 -1.244 1.00 0.00 H new ATOM 822 N LEU A 59 0.667 -3.821 -0.172 1.00 0.00 N ATOM 823 CA LEU A 59 1.526 -4.798 0.489 1.00 0.00 C ATOM 824 C LEU A 59 1.978 -4.288 1.854 1.00 0.00 C ATOM 825 O LEU A 59 2.580 -3.219 1.961 1.00 0.00 O ATOM 826 CB LEU A 59 2.745 -5.107 -0.382 1.00 0.00 C ATOM 827 CG LEU A 59 3.538 -6.359 -0.005 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.696 -7.608 -0.215 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.824 -6.439 -0.814 1.00 0.00 C ATOM 0 H LEU A 59 1.126 -3.287 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 59 0.951 -5.712 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.412 -5.209 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.418 -4.250 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 59 3.800 -6.295 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.277 -8.489 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.803 -7.554 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.403 -7.678 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.376 -7.336 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.584 -6.479 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.435 -5.559 -0.613 1.00 0.00 H new ATOM 841 N PHE A 60 1.686 -5.061 2.895 1.00 0.00 N ATOM 842 CA PHE A 60 2.064 -4.689 4.253 1.00 0.00 C ATOM 843 C PHE A 60 2.142 -5.920 5.152 1.00 0.00 C ATOM 844 O PHE A 60 1.392 -6.880 4.977 1.00 0.00 O ATOM 845 CB PHE A 60 1.061 -3.687 4.828 1.00 0.00 C ATOM 846 CG PHE A 60 -0.338 -4.224 4.920 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.641 -5.259 5.790 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.351 -3.695 4.136 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.928 -5.756 5.876 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.640 -4.188 4.218 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.929 -5.219 5.090 1.00 0.00 C ATOM 0 H PHE A 60 1.189 -5.949 2.824 1.00 0.00 H new ATOM 0 HA PHE A 60 3.050 -4.225 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.391 -3.384 5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.058 -2.791 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.137 -5.682 6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.131 -2.888 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.151 -6.564 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.420 -3.767 3.601 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.936 -5.605 5.157 1.00 0.00 H new ATOM 861 N LYS A 61 3.056 -5.884 6.116 1.00 0.00 N ATOM 862 CA LYS A 61 3.233 -6.994 7.045 1.00 0.00 C ATOM 863 C LYS A 61 2.213 -6.925 8.177 1.00 0.00 C ATOM 864 O LYS A 61 2.077 -5.898 8.840 1.00 0.00 O ATOM 865 CB LYS A 61 4.651 -6.983 7.620 1.00 0.00 C ATOM 866 CG LYS A 61 4.846 -7.948 8.776 1.00 0.00 C ATOM 867 CD LYS A 61 6.319 -8.212 9.040 1.00 0.00 C ATOM 868 CE LYS A 61 6.913 -9.147 7.998 1.00 0.00 C ATOM 869 NZ LYS A 61 8.392 -9.262 8.135 1.00 0.00 N ATOM 0 H LYS A 61 3.686 -5.098 6.274 1.00 0.00 H new ATOM 0 HA LYS A 61 3.077 -7.923 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.357 -7.231 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.890 -5.974 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.382 -7.540 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.341 -8.888 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.865 -7.269 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.440 -8.647 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.461 -10.134 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.668 -8.782 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.759 -9.908 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.826 -8.324 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.625 -9.634 9.078 1.00 0.00 H new ATOM 883 N ASN A 62 1.500 -8.025 8.393 1.00 0.00 N ATOM 884 CA ASN A 62 0.493 -8.089 9.446 1.00 0.00 C ATOM 885 C ASN A 62 1.125 -8.477 10.780 1.00 0.00 C ATOM 886 O ASN A 62 2.339 -8.654 10.875 1.00 0.00 O ATOM 887 CB ASN A 62 -0.600 -9.094 9.075 1.00 0.00 C ATOM 888 CG ASN A 62 -1.943 -8.737 9.682 1.00 0.00 C ATOM 889 OD1 ASN A 62 -2.057 -7.776 10.444 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.968 -9.511 9.346 1.00 0.00 N ATOM 0 H ASN A 62 1.601 -8.884 7.853 1.00 0.00 H new ATOM 0 HA ASN A 62 0.047 -7.100 9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.695 -9.139 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.305 -10.088 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.896 -9.320 9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.827 -10.297 8.711 1.00 0.00 H new ATOM 897 N SER A 63 0.291 -8.608 11.807 1.00 0.00 N ATOM 898 CA SER A 63 0.768 -8.972 13.136 1.00 0.00 C ATOM 899 C SER A 63 1.401 -10.361 13.125 1.00 0.00 C ATOM 900 O SER A 63 2.497 -10.559 13.649 1.00 0.00 O ATOM 901 CB SER A 63 -0.384 -8.933 14.143 1.00 0.00 C ATOM 902 OG SER A 63 -0.505 -7.648 14.728 1.00 0.00 O ATOM 0 H SER A 63 -0.717 -8.468 11.744 1.00 0.00 H new ATOM 0 HA SER A 63 1.527 -8.248 13.433 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.316 -9.199 13.645 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.216 -9.677 14.922 1.00 0.00 H new ATOM 0 HG SER A 63 -1.249 -7.648 15.366 1.00 0.00 H new ATOM 908 N ASP A 64 0.702 -11.318 12.525 1.00 0.00 N ATOM 909 CA ASP A 64 1.194 -12.688 12.444 1.00 0.00 C ATOM 910 C ASP A 64 2.647 -12.717 11.978 1.00 0.00 C ATOM 911 O ASP A 64 3.486 -13.391 12.572 1.00 0.00 O ATOM 912 CB ASP A 64 0.324 -13.510 11.492 1.00 0.00 C ATOM 913 CG ASP A 64 -0.178 -12.694 10.317 1.00 0.00 C ATOM 914 OD1 ASP A 64 0.662 -12.184 9.546 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.412 -12.567 10.168 1.00 0.00 O ATOM 0 H ASP A 64 -0.207 -11.170 12.087 1.00 0.00 H new ATOM 0 HA ASP A 64 1.142 -13.126 13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.898 -14.360 11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.527 -13.915 12.040 1.00 0.00 H new ATOM 920 N GLY A 65 2.935 -11.980 10.909 1.00 0.00 N ATOM 921 CA GLY A 65 4.286 -11.936 10.381 1.00 0.00 C ATOM 922 C GLY A 65 4.329 -12.144 8.880 1.00 0.00 C ATOM 923 O GLY A 65 5.405 -12.224 8.289 1.00 0.00 O ATOM 0 H GLY A 65 2.257 -11.413 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.737 -10.974 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.888 -12.703 10.868 1.00 0.00 H new ATOM 927 N GLN A 66 3.155 -12.232 8.263 1.00 0.00 N ATOM 928 CA GLN A 66 3.063 -12.435 6.822 1.00 0.00 C ATOM 929 C GLN A 66 2.594 -11.163 6.122 1.00 0.00 C ATOM 930 O GLN A 66 1.901 -10.336 6.715 1.00 0.00 O ATOM 931 CB GLN A 66 2.107 -13.587 6.507 1.00 0.00 C ATOM 932 CG GLN A 66 2.289 -14.793 7.413 1.00 0.00 C ATOM 933 CD GLN A 66 1.824 -16.084 6.768 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.624 -16.329 6.639 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.773 -16.917 6.357 1.00 0.00 N ATOM 0 H GLN A 66 2.255 -12.166 8.738 1.00 0.00 H new ATOM 0 HA GLN A 66 4.057 -12.686 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.081 -13.230 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.252 -13.896 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.341 -14.885 7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.736 -14.634 8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.755 -16.674 6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.520 -17.800 5.914 1.00 0.00 H new ATOM 944 N PHE A 67 2.977 -11.014 4.859 1.00 0.00 N ATOM 945 CA PHE A 67 2.597 -9.842 4.078 1.00 0.00 C ATOM 946 C PHE A 67 1.241 -10.051 3.409 1.00 0.00 C ATOM 947 O PHE A 67 1.024 -11.047 2.719 1.00 0.00 O ATOM 948 CB PHE A 67 3.660 -9.541 3.020 1.00 0.00 C ATOM 949 CG PHE A 67 4.937 -8.995 3.591 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.056 -7.648 3.895 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.019 -9.829 3.826 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.230 -7.144 4.420 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.196 -9.330 4.352 1.00 0.00 C ATOM 954 CZ PHE A 67 7.301 -7.985 4.650 1.00 0.00 C ATOM 0 H PHE A 67 3.550 -11.690 4.354 1.00 0.00 H new ATOM 0 HA PHE A 67 2.520 -8.993 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.880 -10.454 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.256 -8.825 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.222 -6.985 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.942 -10.881 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.310 -6.092 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.032 -9.990 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.219 -7.592 5.062 1.00 0.00 H new ATOM 964 N TYR A 68 0.333 -9.104 3.619 1.00 0.00 N ATOM 965 CA TYR A 68 -1.002 -9.185 3.039 1.00 0.00 C ATOM 966 C TYR A 68 -1.235 -8.049 2.046 1.00 0.00 C ATOM 967 O TYR A 68 -0.336 -7.251 1.778 1.00 0.00 O ATOM 968 CB TYR A 68 -2.063 -9.139 4.140 1.00 0.00 C ATOM 969 CG TYR A 68 -2.047 -10.349 5.046 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.985 -10.581 5.911 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.096 -11.261 5.039 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.966 -11.685 6.740 1.00 0.00 C ATOM 973 CE2 TYR A 68 -3.087 -12.367 5.865 1.00 0.00 C ATOM 974 CZ TYR A 68 -2.019 -12.576 6.714 1.00 0.00 C ATOM 975 OH TYR A 68 -2.005 -13.677 7.539 1.00 0.00 O ATOM 0 H TYR A 68 0.497 -8.272 4.186 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.081 -10.132 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.912 -8.243 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.048 -9.052 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.159 -9.885 5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.933 -11.101 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.131 -11.850 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.911 -13.065 5.847 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.825 -13.394 8.460 1.00 0.00 H new ATOM 985 N TRP A 69 -2.446 -7.985 1.505 1.00 0.00 N ATOM 986 CA TRP A 69 -2.798 -6.947 0.542 1.00 0.00 C ATOM 987 C TRP A 69 -3.971 -6.114 1.045 1.00 0.00 C ATOM 988 O TRP A 69 -4.952 -6.652 1.558 1.00 0.00 O ATOM 989 CB TRP A 69 -3.143 -7.573 -0.810 1.00 0.00 C ATOM 990 CG TRP A 69 -1.954 -8.150 -1.518 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.673 -9.473 -1.703 1.00 0.00 C ATOM 992 CD2 TRP A 69 -0.887 -7.420 -2.134 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.495 -9.610 -2.397 1.00 0.00 N ATOM 994 CE2 TRP A 69 0.006 -8.366 -2.674 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.601 -6.061 -2.284 1.00 0.00 C ATOM 996 CZ2 TRP A 69 1.165 -7.993 -3.350 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.550 -5.693 -2.955 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.421 -6.656 -3.482 1.00 0.00 C ATOM 0 H TRP A 69 -3.200 -8.638 1.716 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.936 -6.291 0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.884 -8.358 -0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.604 -6.817 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.286 -10.291 -1.355 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.063 -10.495 -2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.267 -5.311 -1.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.838 -8.734 -3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.782 -4.645 -3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.312 -6.336 -4.002 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.865 -4.798 0.894 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.919 -3.890 1.331 1.00 0.00 C ATOM 1011 C ASP A 70 -6.105 -3.934 0.374 1.00 0.00 C ATOM 1012 O ASP A 70 -5.945 -3.777 -0.836 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.381 -2.462 1.433 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.337 -1.534 2.157 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -5.831 -1.917 3.237 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.591 -0.424 1.642 1.00 0.00 O ATOM 0 H ASP A 70 -3.059 -4.336 0.472 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.258 -4.213 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.425 -2.474 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.192 -2.075 0.431 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.296 -4.149 0.925 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.509 -4.215 0.120 1.00 0.00 C ATOM 1023 C ARG A 71 -9.551 -3.220 0.622 1.00 0.00 C ATOM 1024 O ARG A 71 -10.739 -3.348 0.330 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.088 -5.631 0.146 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.326 -6.617 -0.725 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.524 -6.323 -2.203 1.00 0.00 C ATOM 1028 NE ARG A 71 -8.158 -7.461 -3.042 1.00 0.00 N ATOM 1029 CZ ARG A 71 -8.127 -7.416 -4.369 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.439 -6.295 -5.005 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.783 -8.493 -5.063 1.00 0.00 N ATOM 0 H ARG A 71 -7.446 -4.280 1.925 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.248 -3.955 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.091 -5.994 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.127 -5.596 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.264 -6.573 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.661 -7.631 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.566 -6.060 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.924 -5.458 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.913 -8.339 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.704 -5.465 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.414 -6.263 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.542 -9.357 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.760 -8.457 -6.082 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.095 -2.227 1.381 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.000 -1.225 1.913 1.00 0.00 C ATOM 1047 C GLY A 72 -10.052 -1.235 3.428 1.00 0.00 C ATOM 1048 O GLY A 72 -9.347 -2.011 4.073 1.00 0.00 O ATOM 0 H GLY A 72 -8.116 -2.099 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.687 -0.239 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.001 -1.397 1.517 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.887 -0.372 3.996 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.025 -0.284 5.445 1.00 0.00 C ATOM 1054 C GLN A 73 -11.944 -1.381 5.972 1.00 0.00 C ATOM 1055 O GLN A 73 -13.097 -1.491 5.557 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.569 1.089 5.844 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.606 1.315 7.347 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.898 0.834 7.978 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -13.986 1.073 7.453 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.785 0.151 9.111 1.00 0.00 N ATOM 0 H GLN A 73 -11.478 0.276 3.476 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.038 -0.419 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.954 1.862 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.576 1.202 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.766 0.797 7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.479 2.378 7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.863 -0.024 9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.620 -0.198 9.581 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.424 -2.192 6.888 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.211 -3.271 7.456 1.00 0.00 C ATOM 1071 C GLY A 74 -12.246 -4.495 6.564 1.00 0.00 C ATOM 1072 O GLY A 74 -12.235 -5.627 7.050 1.00 0.00 O ATOM 0 H GLY A 74 -10.472 -2.121 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.799 -3.545 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.229 -2.922 7.629 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.289 -4.271 5.255 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.327 -5.365 4.293 1.00 0.00 C ATOM 1078 C ILE A 75 -11.194 -6.355 4.542 1.00 0.00 C ATOM 1079 O ILE A 75 -10.082 -5.965 4.896 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.231 -4.847 2.846 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.259 -3.738 2.609 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.437 -5.987 1.860 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.674 -4.142 2.957 1.00 0.00 C ATOM 0 H ILE A 75 -12.298 -3.341 4.836 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.284 -5.869 4.427 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.235 -4.433 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.983 -2.865 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.223 -3.438 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.366 -5.605 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.671 -6.746 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.422 -6.428 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.348 -3.308 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.969 -4.996 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.726 -4.414 4.011 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.484 -7.638 4.353 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.489 -8.685 4.557 1.00 0.00 C ATOM 1097 C ASN A 76 -9.390 -8.603 3.501 1.00 0.00 C ATOM 1098 O ASN A 76 -9.641 -8.692 2.299 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.152 -10.063 4.513 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.317 -10.175 5.476 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.491 -9.334 6.359 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -13.124 -11.217 5.311 1.00 0.00 N ATOM 0 H ASN A 76 -12.400 -7.978 4.059 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.038 -8.538 5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.501 -10.263 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.412 -10.827 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.925 -11.344 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.942 -11.890 4.566 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.141 -8.429 3.960 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.979 -8.333 3.072 1.00 0.00 C ATOM 1111 C PRO A 77 -6.652 -9.661 2.398 1.00 0.00 C ATOM 1112 O PRO A 77 -7.203 -10.702 2.757 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.846 -7.919 4.015 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.268 -8.414 5.355 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.768 -8.315 5.380 1.00 0.00 C ATOM 0 HA PRO A 77 -7.149 -7.634 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.897 -8.360 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.708 -6.838 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.942 -9.442 5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.824 -7.815 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.213 -9.110 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.101 -7.370 5.808 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.752 -9.618 1.422 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.351 -10.819 0.698 1.00 0.00 C ATOM 1125 C ASP A 78 -3.914 -11.203 1.038 1.00 0.00 C ATOM 1126 O ASP A 78 -3.004 -10.376 0.961 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.492 -10.604 -0.809 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.746 -11.897 -1.558 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -6.634 -12.665 -1.132 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -5.057 -12.142 -2.570 1.00 0.00 O ATOM 0 H ASP A 78 -5.286 -8.765 1.114 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.008 -11.634 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.311 -9.911 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.585 -10.138 -1.193 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.717 -12.462 1.415 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.390 -12.956 1.768 1.00 0.00 C ATOM 1137 C LEU A 79 -1.533 -13.150 0.522 1.00 0.00 C ATOM 1138 O LEU A 79 -1.972 -13.749 -0.461 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.503 -14.275 2.534 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.261 -14.705 3.316 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.306 -15.475 2.417 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.567 -13.495 3.923 1.00 0.00 C ATOM 0 H LEU A 79 -4.459 -13.159 1.484 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.910 -12.213 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.338 -14.197 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.752 -15.064 1.825 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.575 -15.362 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.572 -15.773 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.806 -16.363 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.001 -14.841 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.314 -13.820 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.266 -12.812 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.252 -12.984 4.600 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.306 -12.642 0.569 1.00 0.00 N ATOM 1155 CA LEU A 80 0.616 -12.762 -0.555 1.00 0.00 C ATOM 1156 C LEU A 80 0.999 -14.219 -0.793 1.00 0.00 C ATOM 1157 O LEU A 80 1.929 -14.735 -0.174 1.00 0.00 O ATOM 1158 CB LEU A 80 1.872 -11.927 -0.301 1.00 0.00 C ATOM 1159 CG LEU A 80 2.984 -12.054 -1.343 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.778 -11.052 -2.469 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.347 -11.858 -0.695 1.00 0.00 C ATOM 0 H LEU A 80 0.073 -12.143 1.374 1.00 0.00 H new ATOM 0 HA LEU A 80 0.113 -12.388 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.580 -10.879 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.279 -12.205 0.671 1.00 0.00 H new ATOM 0 HG LEU A 80 2.946 -13.058 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.579 -11.157 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.819 -11.239 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.789 -10.041 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.126 -11.952 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.396 -10.867 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.496 -12.615 0.075 1.00 0.00 H new ATOM 1173 N ASN A 81 0.276 -14.876 -1.694 1.00 0.00 N ATOM 1174 CA ASN A 81 0.542 -16.274 -2.015 1.00 0.00 C ATOM 1175 C ASN A 81 0.768 -16.455 -3.513 1.00 0.00 C ATOM 1176 O ASN A 81 0.385 -17.472 -4.089 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.621 -17.154 -1.553 1.00 0.00 C ATOM 1178 CG ASN A 81 -1.779 -17.144 -2.533 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -1.803 -16.350 -3.474 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -2.745 -18.028 -2.316 1.00 0.00 N ATOM 0 H ASN A 81 -0.498 -14.463 -2.215 1.00 0.00 H new ATOM 0 HA ASN A 81 1.449 -16.576 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.269 -18.177 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.970 -16.809 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.549 -18.069 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.683 -18.667 -1.523 1.00 0.00 H new ATOM 1187 N GLN A 82 1.393 -15.461 -4.135 1.00 0.00 N ATOM 1188 CA GLN A 82 1.671 -15.511 -5.566 1.00 0.00 C ATOM 1189 C GLN A 82 3.108 -15.947 -5.827 1.00 0.00 C ATOM 1190 O GLN A 82 4.030 -15.611 -5.083 1.00 0.00 O ATOM 1191 CB GLN A 82 1.416 -14.144 -6.204 1.00 0.00 C ATOM 1192 CG GLN A 82 2.412 -13.078 -5.777 1.00 0.00 C ATOM 1193 CD GLN A 82 2.256 -11.788 -6.558 1.00 0.00 C ATOM 1194 OE1 GLN A 82 1.317 -11.631 -7.338 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.179 -10.856 -6.351 1.00 0.00 N ATOM 0 H GLN A 82 1.716 -14.612 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 82 1.002 -16.245 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.449 -14.247 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.410 -13.814 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.285 -12.872 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.425 -13.458 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.940 -11.029 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.126 -9.967 -6.848 1.00 0.00 H new ATOM 1204 N PRO A 83 3.307 -16.714 -6.909 1.00 0.00 N ATOM 1205 CA PRO A 83 4.631 -17.213 -7.293 1.00 0.00 C ATOM 1206 C PRO A 83 5.547 -16.101 -7.792 1.00 0.00 C ATOM 1207 O PRO A 83 6.769 -16.184 -7.660 1.00 0.00 O ATOM 1208 CB PRO A 83 4.325 -18.200 -8.422 1.00 0.00 C ATOM 1209 CG PRO A 83 3.030 -17.734 -8.992 1.00 0.00 C ATOM 1210 CD PRO A 83 2.255 -17.154 -7.841 1.00 0.00 C ATOM 0 HA PRO A 83 5.158 -17.659 -6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.113 -18.197 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.248 -19.220 -8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.192 -16.987 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.487 -18.559 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.626 -16.322 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.598 -17.895 -7.385 1.00 0.00 H new ATOM 1218 N ILE A 84 4.950 -15.062 -8.365 1.00 0.00 N ATOM 1219 CA ILE A 84 5.713 -13.932 -8.883 1.00 0.00 C ATOM 1220 C ILE A 84 5.850 -12.835 -7.833 1.00 0.00 C ATOM 1221 O ILE A 84 4.867 -12.423 -7.217 1.00 0.00 O ATOM 1222 CB ILE A 84 5.058 -13.341 -10.145 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.022 -14.385 -11.264 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.808 -12.097 -10.598 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.222 -13.948 -12.471 1.00 0.00 C ATOM 0 H ILE A 84 3.940 -14.979 -8.483 1.00 0.00 H new ATOM 0 HA ILE A 84 6.702 -14.310 -9.141 1.00 0.00 H new ATOM 0 HB ILE A 84 4.033 -13.057 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.043 -14.608 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.599 -15.310 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.333 -11.691 -11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.787 -11.350 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.842 -12.358 -10.824 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.240 -14.736 -13.224 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.192 -13.753 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.658 -13.039 -12.887 1.00 0.00 H new ATOM 1237 N THR A 85 7.077 -12.363 -7.636 1.00 0.00 N ATOM 1238 CA THR A 85 7.344 -11.312 -6.661 1.00 0.00 C ATOM 1239 C THR A 85 8.418 -10.354 -7.166 1.00 0.00 C ATOM 1240 O THR A 85 9.142 -10.661 -8.113 1.00 0.00 O ATOM 1241 CB THR A 85 7.791 -11.900 -5.309 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.951 -12.719 -5.491 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.676 -12.723 -4.682 1.00 0.00 C ATOM 0 H THR A 85 7.902 -12.692 -8.138 1.00 0.00 H new ATOM 0 HA THR A 85 6.411 -10.766 -6.521 1.00 0.00 H new ATOM 0 HB THR A 85 8.031 -11.074 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.230 -13.088 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.015 -13.128 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.804 -12.090 -4.518 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.409 -13.542 -5.350 1.00 0.00 H new ATOM 1251 N TYR A 86 8.515 -9.193 -6.528 1.00 0.00 N ATOM 1252 CA TYR A 86 9.500 -8.190 -6.913 1.00 0.00 C ATOM 1253 C TYR A 86 10.401 -7.830 -5.736 1.00 0.00 C ATOM 1254 O TYR A 86 11.061 -6.790 -5.740 1.00 0.00 O ATOM 1255 CB TYR A 86 8.801 -6.934 -7.437 1.00 0.00 C ATOM 1256 CG TYR A 86 7.751 -7.219 -8.487 1.00 0.00 C ATOM 1257 CD1 TYR A 86 8.107 -7.439 -9.812 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.403 -7.268 -8.155 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.151 -7.699 -10.775 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.440 -7.529 -9.111 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.819 -7.744 -10.419 1.00 0.00 C ATOM 1262 OH TYR A 86 4.864 -8.003 -11.375 1.00 0.00 O ATOM 0 H TYR A 86 7.923 -8.923 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 86 10.119 -8.611 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.335 -6.412 -6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.548 -6.260 -7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.149 -7.406 -10.094 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.102 -7.099 -7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.445 -7.866 -11.801 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.396 -7.564 -8.835 1.00 0.00 H new ATOM 0 HH TYR A 86 3.976 -8.001 -10.960 1.00 0.00 H new ATOM 1272 N TRP A 87 10.422 -8.696 -4.730 1.00 0.00 N ATOM 1273 CA TRP A 87 11.243 -8.471 -3.545 1.00 0.00 C ATOM 1274 C TRP A 87 12.633 -7.980 -3.931 1.00 0.00 C ATOM 1275 O TRP A 87 13.294 -8.569 -4.786 1.00 0.00 O ATOM 1276 CB TRP A 87 11.352 -9.757 -2.723 1.00 0.00 C ATOM 1277 CG TRP A 87 10.079 -10.124 -2.023 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.424 -11.321 -2.087 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.306 -9.288 -1.155 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.291 -11.279 -1.311 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.197 -10.044 -0.728 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.445 -7.976 -0.694 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.233 -9.528 0.135 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.488 -7.466 0.162 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.394 -8.241 0.570 1.00 0.00 C ATOM 0 H TRP A 87 9.881 -9.560 -4.710 1.00 0.00 H new ATOM 0 HA TRP A 87 10.762 -7.702 -2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.646 -10.576 -3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.144 -9.641 -1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.749 -12.175 -2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.627 -12.044 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.286 -7.372 -1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.388 -10.123 0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.585 -6.453 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.664 -7.814 1.241 1.00 0.00 H new ATOM 1296 N ALA A 88 13.072 -6.899 -3.295 1.00 0.00 N ATOM 1297 CA ALA A 88 14.386 -6.330 -3.571 1.00 0.00 C ATOM 1298 C ALA A 88 15.497 -7.262 -3.098 1.00 0.00 C ATOM 1299 O ALA A 88 15.235 -8.375 -2.645 1.00 0.00 O ATOM 1300 CB ALA A 88 14.520 -4.967 -2.909 1.00 0.00 C ATOM 0 H ALA A 88 12.537 -6.399 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 88 14.484 -6.209 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.506 -4.554 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.753 -4.297 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.397 -5.072 -1.831 1.00 0.00 H new ATOM 1306 N ASN A 89 16.738 -6.798 -3.208 1.00 0.00 N ATOM 1307 CA ASN A 89 17.889 -7.591 -2.792 1.00 0.00 C ATOM 1308 C ASN A 89 17.806 -7.934 -1.308 1.00 0.00 C ATOM 1309 O ASN A 89 17.791 -7.048 -0.455 1.00 0.00 O ATOM 1310 CB ASN A 89 19.187 -6.833 -3.080 1.00 0.00 C ATOM 1311 CG ASN A 89 20.364 -7.765 -3.296 1.00 0.00 C ATOM 1312 OD1 ASN A 89 20.862 -8.382 -2.355 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.815 -7.869 -4.541 1.00 0.00 N ATOM 0 H ASN A 89 16.972 -5.878 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 89 17.884 -8.520 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.053 -6.211 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.405 -6.163 -2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.605 -8.480 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.371 -7.338 -5.290 1.00 0.00 H new ATOM 1320 N GLY A 90 17.754 -9.229 -1.007 1.00 0.00 N ATOM 1321 CA GLY A 90 17.674 -9.667 0.374 1.00 0.00 C ATOM 1322 C GLY A 90 16.325 -9.371 0.999 1.00 0.00 C ATOM 1323 O GLY A 90 16.151 -9.509 2.209 1.00 0.00 O ATOM 0 H GLY A 90 17.766 -9.982 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.867 -10.739 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.455 -9.175 0.954 1.00 0.00 H new ATOM 1327 N GLU A 91 15.368 -8.961 0.171 1.00 0.00 N ATOM 1328 CA GLU A 91 14.029 -8.643 0.652 1.00 0.00 C ATOM 1329 C GLU A 91 13.125 -9.871 0.598 1.00 0.00 C ATOM 1330 O GLU A 91 13.317 -10.779 -0.212 1.00 0.00 O ATOM 1331 CB GLU A 91 13.420 -7.511 -0.180 1.00 0.00 C ATOM 1332 CG GLU A 91 13.773 -6.124 0.330 1.00 0.00 C ATOM 1333 CD GLU A 91 12.774 -5.605 1.346 1.00 0.00 C ATOM 1334 OE1 GLU A 91 11.556 -5.715 1.089 1.00 0.00 O ATOM 1335 OE2 GLU A 91 13.208 -5.088 2.396 1.00 0.00 O ATOM 0 H GLU A 91 15.495 -8.842 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 91 14.111 -8.319 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.759 -7.607 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.336 -7.621 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.765 -6.148 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.822 -5.433 -0.512 1.00 0.00 H new ATOM 1342 N PRO A 92 12.115 -9.902 1.480 1.00 0.00 N ATOM 1343 CA PRO A 92 11.877 -8.827 2.448 1.00 0.00 C ATOM 1344 C PRO A 92 12.950 -8.773 3.530 1.00 0.00 C ATOM 1345 O PRO A 92 13.470 -9.805 3.954 1.00 0.00 O ATOM 1346 CB PRO A 92 10.521 -9.193 3.058 1.00 0.00 C ATOM 1347 CG PRO A 92 10.414 -10.668 2.885 1.00 0.00 C ATOM 1348 CD PRO A 92 11.128 -10.988 1.601 1.00 0.00 C ATOM 0 HA PRO A 92 11.897 -7.844 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.472 -8.913 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.706 -8.675 2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.868 -11.193 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.371 -10.981 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.609 -11.965 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.443 -11.005 0.753 1.00 0.00 H new ATOM 1356 N SER A 93 13.278 -7.563 3.973 1.00 0.00 N ATOM 1357 CA SER A 93 14.292 -7.375 5.003 1.00 0.00 C ATOM 1358 C SER A 93 13.838 -7.979 6.329 1.00 0.00 C ATOM 1359 O SER A 93 12.659 -7.928 6.675 1.00 0.00 O ATOM 1360 CB SER A 93 14.594 -5.886 5.185 1.00 0.00 C ATOM 1361 OG SER A 93 15.878 -5.692 5.752 1.00 0.00 O ATOM 0 H SER A 93 12.856 -6.698 3.634 1.00 0.00 H new ATOM 0 HA SER A 93 15.200 -7.886 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.538 -5.380 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.838 -5.434 5.827 1.00 0.00 H new ATOM 0 HG SER A 93 15.810 -5.080 6.514 1.00 0.00 H new ATOM 1367 N ASN A 94 14.785 -8.551 7.066 1.00 0.00 N ATOM 1368 CA ASN A 94 14.484 -9.166 8.353 1.00 0.00 C ATOM 1369 C ASN A 94 14.523 -8.131 9.473 1.00 0.00 C ATOM 1370 O ASN A 94 14.955 -8.423 10.588 1.00 0.00 O ATOM 1371 CB ASN A 94 15.478 -10.291 8.649 1.00 0.00 C ATOM 1372 CG ASN A 94 16.864 -9.768 8.971 1.00 0.00 C ATOM 1373 OD1 ASN A 94 17.121 -8.567 8.889 1.00 0.00 O ATOM 1374 ND2 ASN A 94 17.766 -10.671 9.339 1.00 0.00 N ATOM 0 H ASN A 94 15.767 -8.601 6.794 1.00 0.00 H new ATOM 0 HA ASN A 94 13.478 -9.583 8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.112 -10.884 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.535 -10.957 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.716 -10.379 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.508 -11.656 9.393 1.00 0.00 H new ATOM 1381 N ASP A 95 14.067 -6.920 9.168 1.00 0.00 N ATOM 1382 CA ASP A 95 14.048 -5.841 10.149 1.00 0.00 C ATOM 1383 C ASP A 95 12.713 -5.801 10.887 1.00 0.00 C ATOM 1384 O ASP A 95 11.642 -5.778 10.281 1.00 0.00 O ATOM 1385 CB ASP A 95 14.308 -4.498 9.466 1.00 0.00 C ATOM 1386 CG ASP A 95 15.786 -4.179 9.360 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.480 -4.230 10.397 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.249 -3.876 8.240 1.00 0.00 O ATOM 0 H ASP A 95 13.706 -6.662 8.250 1.00 0.00 H new ATOM 0 HA ASP A 95 14.839 -6.029 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.869 -4.510 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.808 -3.707 10.024 1.00 0.00 H new ATOM 1393 N PRO A 96 12.777 -5.794 12.227 1.00 0.00 N ATOM 1394 CA PRO A 96 11.583 -5.757 13.076 1.00 0.00 C ATOM 1395 C PRO A 96 10.862 -4.416 13.005 1.00 0.00 C ATOM 1396 O PRO A 96 9.647 -4.341 13.190 1.00 0.00 O ATOM 1397 CB PRO A 96 12.141 -5.991 14.482 1.00 0.00 C ATOM 1398 CG PRO A 96 13.553 -5.521 14.413 1.00 0.00 C ATOM 1399 CD PRO A 96 14.021 -5.820 13.016 1.00 0.00 C ATOM 0 HA PRO A 96 10.841 -6.494 12.769 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.575 -5.436 15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.087 -7.044 14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.620 -4.454 14.627 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.171 -6.034 15.150 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.736 -5.076 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.515 -6.790 12.956 1.00 0.00 H new ATOM 1407 N THR A 97 11.619 -3.356 12.736 1.00 0.00 N ATOM 1408 CA THR A 97 11.052 -2.016 12.642 1.00 0.00 C ATOM 1409 C THR A 97 10.298 -1.830 11.330 1.00 0.00 C ATOM 1410 O THR A 97 9.273 -1.149 11.284 1.00 0.00 O ATOM 1411 CB THR A 97 12.144 -0.936 12.751 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.127 -1.126 11.727 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.813 -0.978 14.116 1.00 0.00 C ATOM 0 H THR A 97 12.626 -3.400 12.579 1.00 0.00 H new ATOM 0 HA THR A 97 10.358 -1.906 13.476 1.00 0.00 H new ATOM 0 HB THR A 97 11.672 0.038 12.625 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.817 -0.434 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.581 -0.206 14.169 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.068 -0.803 14.892 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.271 -1.956 14.267 1.00 0.00 H new ATOM 1421 N ARG A 98 10.811 -2.439 10.266 1.00 0.00 N ATOM 1422 CA ARG A 98 10.185 -2.339 8.953 1.00 0.00 C ATOM 1423 C ARG A 98 9.154 -3.447 8.756 1.00 0.00 C ATOM 1424 O ARG A 98 9.493 -4.630 8.764 1.00 0.00 O ATOM 1425 CB ARG A 98 11.245 -2.412 7.853 1.00 0.00 C ATOM 1426 CG ARG A 98 12.477 -1.569 8.137 1.00 0.00 C ATOM 1427 CD ARG A 98 13.626 -1.932 7.209 1.00 0.00 C ATOM 1428 NE ARG A 98 14.496 -0.790 6.943 1.00 0.00 N ATOM 1429 CZ ARG A 98 15.367 -0.309 7.823 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.484 -0.868 9.019 1.00 0.00 N ATOM 1431 NH2 ARG A 98 16.124 0.734 7.506 1.00 0.00 N ATOM 0 H ARG A 98 11.658 -3.007 10.287 1.00 0.00 H new ATOM 0 HA ARG A 98 9.675 -1.378 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.548 -3.451 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.802 -2.087 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.232 -0.513 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.786 -1.711 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.211 -2.737 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.226 -2.310 6.268 1.00 0.00 H new ATOM 0 HE ARG A 98 14.431 -0.337 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.904 -1.670 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.154 -0.496 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.037 1.167 6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.793 1.103 8.182 1.00 0.00 H new ATOM 1445 N GLN A 99 7.897 -3.054 8.581 1.00 0.00 N ATOM 1446 CA GLN A 99 6.817 -4.014 8.383 1.00 0.00 C ATOM 1447 C GLN A 99 6.067 -3.731 7.086 1.00 0.00 C ATOM 1448 O GLN A 99 5.671 -4.653 6.372 1.00 0.00 O ATOM 1449 CB GLN A 99 5.848 -3.975 9.566 1.00 0.00 C ATOM 1450 CG GLN A 99 6.534 -3.774 10.908 1.00 0.00 C ATOM 1451 CD GLN A 99 5.733 -4.343 12.063 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.528 -4.568 11.947 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.400 -4.579 13.187 1.00 0.00 N ATOM 0 H GLN A 99 7.601 -2.078 8.572 1.00 0.00 H new ATOM 0 HA GLN A 99 7.257 -5.009 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.130 -3.170 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.282 -4.906 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.516 -4.246 10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.696 -2.709 11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.399 -4.378 13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.914 -4.962 13.998 1.00 0.00 H new ATOM 1462 N CYS A 100 5.875 -2.451 6.787 1.00 0.00 N ATOM 1463 CA CYS A 100 5.171 -2.045 5.577 1.00 0.00 C ATOM 1464 C CYS A 100 6.111 -2.050 4.374 1.00 0.00 C ATOM 1465 O CYS A 100 7.325 -1.915 4.521 1.00 0.00 O ATOM 1466 CB CYS A 100 4.564 -0.653 5.757 1.00 0.00 C ATOM 1467 SG CYS A 100 3.277 -0.564 7.044 1.00 0.00 S ATOM 0 H CYS A 100 6.198 -1.676 7.367 1.00 0.00 H new ATOM 0 HA CYS A 100 4.370 -2.762 5.395 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.360 0.049 6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.137 -0.329 4.808 1.00 0.00 H new ATOM 1472 N VAL A 101 5.539 -2.207 3.184 1.00 0.00 N ATOM 1473 CA VAL A 101 6.324 -2.228 1.956 1.00 0.00 C ATOM 1474 C VAL A 101 5.902 -1.106 1.014 1.00 0.00 C ATOM 1475 O VAL A 101 4.717 -0.789 0.900 1.00 0.00 O ATOM 1476 CB VAL A 101 6.185 -3.576 1.224 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.024 -3.585 -0.045 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.581 -4.723 2.142 1.00 0.00 C ATOM 0 H VAL A 101 4.535 -2.321 3.045 1.00 0.00 H new ATOM 0 HA VAL A 101 7.365 -2.084 2.244 1.00 0.00 H new ATOM 0 HB VAL A 101 5.141 -3.710 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.913 -4.546 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.689 -2.787 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.072 -3.429 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.477 -5.668 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.617 -4.596 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.933 -4.728 3.019 1.00 0.00 H new ATOM 1488 N TYR A 102 6.878 -0.508 0.341 1.00 0.00 N ATOM 1489 CA TYR A 102 6.608 0.581 -0.591 1.00 0.00 C ATOM 1490 C TYR A 102 7.240 0.304 -1.951 1.00 0.00 C ATOM 1491 O TYR A 102 8.277 -0.353 -2.045 1.00 0.00 O ATOM 1492 CB TYR A 102 7.138 1.902 -0.030 1.00 0.00 C ATOM 1493 CG TYR A 102 8.640 2.042 -0.125 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.468 1.552 0.878 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.232 2.662 -1.219 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.841 1.678 0.795 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.605 2.791 -1.310 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.405 2.298 -0.301 1.00 0.00 C ATOM 1499 OH TYR A 102 12.772 2.424 -0.387 1.00 0.00 O ATOM 0 H TYR A 102 7.863 -0.758 0.423 1.00 0.00 H new ATOM 0 HA TYR A 102 5.528 0.655 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.670 2.728 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.839 1.989 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.031 1.065 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.609 3.049 -2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.470 1.293 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.049 3.275 -2.167 1.00 0.00 H new ATOM 0 HH TYR A 102 13.057 2.276 -1.313 1.00 0.00 H new ATOM 1509 N PHE A 103 6.607 0.810 -3.004 1.00 0.00 N ATOM 1510 CA PHE A 103 7.105 0.617 -4.361 1.00 0.00 C ATOM 1511 C PHE A 103 8.256 1.574 -4.659 1.00 0.00 C ATOM 1512 O PHE A 103 8.042 2.763 -4.898 1.00 0.00 O ATOM 1513 CB PHE A 103 5.978 0.825 -5.375 1.00 0.00 C ATOM 1514 CG PHE A 103 6.262 0.218 -6.720 1.00 0.00 C ATOM 1515 CD1 PHE A 103 6.010 -1.124 -6.955 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.780 0.989 -7.748 1.00 0.00 C ATOM 1517 CE1 PHE A 103 6.271 -1.685 -8.191 1.00 0.00 C ATOM 1518 CE2 PHE A 103 7.042 0.433 -8.986 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.787 -0.906 -9.208 1.00 0.00 C ATOM 0 H PHE A 103 5.748 1.357 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 103 7.475 -0.405 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.059 0.395 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.803 1.894 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.605 -1.738 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 103 6.981 2.037 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.071 -2.733 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.446 1.045 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.991 -1.343 -10.174 1.00 0.00 H new ATOM 1529 N ASP A 104 9.475 1.047 -4.643 1.00 0.00 N ATOM 1530 CA ASP A 104 10.660 1.853 -4.911 1.00 0.00 C ATOM 1531 C ASP A 104 10.836 2.077 -6.410 1.00 0.00 C ATOM 1532 O ASP A 104 11.556 1.337 -7.079 1.00 0.00 O ATOM 1533 CB ASP A 104 11.905 1.176 -4.335 1.00 0.00 C ATOM 1534 CG ASP A 104 13.030 2.158 -4.075 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.227 3.068 -4.907 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.713 2.016 -3.039 1.00 0.00 O ATOM 0 H ASP A 104 9.669 0.065 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 104 10.527 2.822 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.644 0.673 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.250 0.408 -5.027 1.00 0.00 H new ATOM 1541 N GLY A 105 10.173 3.105 -6.931 1.00 0.00 N ATOM 1542 CA GLY A 105 10.268 3.408 -8.347 1.00 0.00 C ATOM 1543 C GLY A 105 11.678 3.772 -8.768 1.00 0.00 C ATOM 1544 O GLY A 105 12.106 3.445 -9.875 1.00 0.00 O ATOM 0 H GLY A 105 9.572 3.733 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.931 2.546 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.597 4.233 -8.585 1.00 0.00 H new ATOM 1602 N LYS A 110 13.122 -2.856 -11.723 1.00 0.00 N ATOM 1603 CA LYS A 110 11.729 -2.999 -11.316 1.00 0.00 C ATOM 1604 C LYS A 110 11.521 -4.295 -10.538 1.00 0.00 C ATOM 1605 O LYS A 110 10.583 -4.413 -9.750 1.00 0.00 O ATOM 1606 CB LYS A 110 10.812 -2.974 -12.541 1.00 0.00 C ATOM 1607 CG LYS A 110 11.245 -3.925 -13.644 1.00 0.00 C ATOM 1608 CD LYS A 110 10.066 -4.366 -14.494 1.00 0.00 C ATOM 1609 CE LYS A 110 9.263 -5.461 -13.808 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.385 -6.189 -14.766 1.00 0.00 N ATOM 0 HA LYS A 110 11.478 -2.161 -10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.798 -3.228 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.779 -1.960 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.988 -3.437 -14.275 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.725 -4.799 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.420 -3.511 -14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.426 -4.726 -15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.944 -6.166 -13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.653 -5.023 -13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.734 -6.807 -14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.837 -5.504 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.970 -6.765 -15.404 1.00 0.00 H new ATOM 1624 N SER A 111 12.402 -5.264 -10.765 1.00 0.00 N ATOM 1625 CA SER A 111 12.313 -6.552 -10.087 1.00 0.00 C ATOM 1626 C SER A 111 12.720 -6.425 -8.622 1.00 0.00 C ATOM 1627 O SER A 111 12.538 -7.351 -7.832 1.00 0.00 O ATOM 1628 CB SER A 111 13.200 -7.583 -10.787 1.00 0.00 C ATOM 1629 OG SER A 111 14.573 -7.274 -10.618 1.00 0.00 O ATOM 0 H SER A 111 13.185 -5.182 -11.413 1.00 0.00 H new ATOM 0 HA SER A 111 11.276 -6.886 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.995 -8.576 -10.386 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.959 -7.613 -11.850 1.00 0.00 H new ATOM 0 HG SER A 111 15.119 -7.949 -11.073 1.00 0.00 H new ATOM 1635 N LYS A 112 13.274 -5.270 -8.267 1.00 0.00 N ATOM 1636 CA LYS A 112 13.707 -5.018 -6.898 1.00 0.00 C ATOM 1637 C LYS A 112 13.074 -3.741 -6.354 1.00 0.00 C ATOM 1638 O LYS A 112 13.736 -2.942 -5.690 1.00 0.00 O ATOM 1639 CB LYS A 112 15.232 -4.910 -6.836 1.00 0.00 C ATOM 1640 CG LYS A 112 15.947 -6.221 -7.116 1.00 0.00 C ATOM 1641 CD LYS A 112 17.350 -5.989 -7.651 1.00 0.00 C ATOM 1642 CE LYS A 112 17.920 -7.248 -8.285 1.00 0.00 C ATOM 1643 NZ LYS A 112 18.301 -8.260 -7.262 1.00 0.00 N ATOM 0 H LYS A 112 13.434 -4.494 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 112 13.383 -5.855 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.565 -4.163 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.523 -4.551 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.999 -6.811 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.373 -6.802 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.331 -5.186 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 112 18.001 -5.662 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.184 -7.678 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.794 -6.990 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.822 -9.036 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.904 -7.815 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.443 -8.638 -6.811 1.00 0.00 H new ATOM 1657 N VAL A 113 11.789 -3.556 -6.637 1.00 0.00 N ATOM 1658 CA VAL A 113 11.066 -2.378 -6.173 1.00 0.00 C ATOM 1659 C VAL A 113 10.432 -2.623 -4.809 1.00 0.00 C ATOM 1660 O VAL A 113 10.264 -1.697 -4.015 1.00 0.00 O ATOM 1661 CB VAL A 113 9.967 -1.965 -7.170 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.582 -1.515 -8.487 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.992 -3.111 -7.392 1.00 0.00 C ATOM 0 H VAL A 113 11.227 -4.207 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 113 11.795 -1.572 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 113 9.415 -1.125 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.790 -1.227 -9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.237 -0.662 -8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.160 -2.333 -8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.222 -2.802 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.528 -3.972 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.527 -3.382 -6.444 1.00 0.00 H new ATOM 1673 N TRP A 114 10.083 -3.877 -4.542 1.00 0.00 N ATOM 1674 CA TRP A 114 9.468 -4.245 -3.272 1.00 0.00 C ATOM 1675 C TRP A 114 10.467 -4.120 -2.127 1.00 0.00 C ATOM 1676 O TRP A 114 11.286 -5.012 -1.904 1.00 0.00 O ATOM 1677 CB TRP A 114 8.926 -5.674 -3.339 1.00 0.00 C ATOM 1678 CG TRP A 114 7.605 -5.776 -4.039 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.998 -4.809 -4.789 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.727 -6.906 -4.052 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.796 -5.271 -5.268 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.607 -6.555 -4.830 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.779 -8.182 -3.483 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.549 -7.434 -5.051 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.728 -9.052 -3.703 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.626 -8.676 -4.482 1.00 0.00 C ATOM 0 H TRP A 114 10.215 -4.655 -5.188 1.00 0.00 H new ATOM 0 HA TRP A 114 8.642 -3.559 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.651 -6.306 -3.852 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.824 -6.064 -2.326 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.403 -3.826 -4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.149 -4.743 -5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.625 -8.482 -2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.698 -7.145 -5.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.757 -10.039 -3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.822 -9.380 -4.636 1.00 0.00 H new ATOM 1697 N THR A 115 10.394 -3.008 -1.402 1.00 0.00 N ATOM 1698 CA THR A 115 11.293 -2.767 -0.280 1.00 0.00 C ATOM 1699 C THR A 115 10.514 -2.570 1.015 1.00 0.00 C ATOM 1700 O THR A 115 9.477 -1.906 1.034 1.00 0.00 O ATOM 1701 CB THR A 115 12.179 -1.531 -0.526 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.821 -1.635 -1.802 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.230 -1.393 0.566 1.00 0.00 C ATOM 0 H THR A 115 9.722 -2.260 -1.572 1.00 0.00 H new ATOM 0 HA THR A 115 11.928 -3.648 -0.188 1.00 0.00 H new ATOM 0 HB THR A 115 11.543 -0.646 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.381 -0.845 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.844 -0.514 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.738 -1.285 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.862 -2.281 0.577 1.00 0.00 H new ATOM 1711 N THR A 116 11.021 -3.149 2.099 1.00 0.00 N ATOM 1712 CA THR A 116 10.373 -3.037 3.400 1.00 0.00 C ATOM 1713 C THR A 116 10.866 -1.809 4.156 1.00 0.00 C ATOM 1714 O THR A 116 12.030 -1.423 4.041 1.00 0.00 O ATOM 1715 CB THR A 116 10.621 -4.290 4.261 1.00 0.00 C ATOM 1716 OG1 THR A 116 12.019 -4.425 4.538 1.00 0.00 O ATOM 1717 CG2 THR A 116 10.115 -5.540 3.556 1.00 0.00 C ATOM 0 H THR A 116 11.879 -3.701 2.102 1.00 0.00 H new ATOM 0 HA THR A 116 9.304 -2.940 3.213 1.00 0.00 H new ATOM 0 HB THR A 116 10.075 -4.174 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.521 -4.428 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.301 -6.412 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.045 -5.446 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.636 -5.658 2.606 1.00 0.00 H new ATOM 1725 N ASP A 117 9.975 -1.200 4.930 1.00 0.00 N ATOM 1726 CA ASP A 117 10.321 -0.015 5.708 1.00 0.00 C ATOM 1727 C ASP A 117 9.251 0.280 6.754 1.00 0.00 C ATOM 1728 O ASP A 117 8.113 -0.178 6.641 1.00 0.00 O ATOM 1729 CB ASP A 117 10.498 1.193 4.786 1.00 0.00 C ATOM 1730 CG ASP A 117 11.941 1.398 4.371 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.817 0.674 4.890 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.196 2.282 3.527 1.00 0.00 O ATOM 0 H ASP A 117 9.008 -1.507 5.036 1.00 0.00 H new ATOM 0 HA ASP A 117 11.262 -0.210 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.882 1.060 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.138 2.089 5.292 1.00 0.00 H new ATOM 1737 N THR A 118 9.623 1.047 7.774 1.00 0.00 N ATOM 1738 CA THR A 118 8.696 1.401 8.842 1.00 0.00 C ATOM 1739 C THR A 118 7.434 2.048 8.282 1.00 0.00 C ATOM 1740 O THR A 118 7.446 2.613 7.188 1.00 0.00 O ATOM 1741 CB THR A 118 9.346 2.363 9.854 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.523 2.477 11.020 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.555 3.738 9.238 1.00 0.00 C ATOM 0 H THR A 118 10.560 1.435 7.883 1.00 0.00 H new ATOM 0 HA THR A 118 8.431 0.474 9.351 1.00 0.00 H new ATOM 0 HB THR A 118 10.318 1.957 10.134 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.944 3.089 11.659 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.015 4.399 9.972 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.206 3.652 8.368 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.593 4.149 8.932 1.00 0.00 H new ATOM 1751 N CYS A 119 6.346 1.963 9.039 1.00 0.00 N ATOM 1752 CA CYS A 119 5.074 2.540 8.620 1.00 0.00 C ATOM 1753 C CYS A 119 4.879 3.927 9.227 1.00 0.00 C ATOM 1754 O CYS A 119 3.751 4.366 9.449 1.00 0.00 O ATOM 1755 CB CYS A 119 3.916 1.626 9.025 1.00 0.00 C ATOM 1756 SG CYS A 119 4.238 -0.146 8.754 1.00 0.00 S ATOM 0 H CYS A 119 6.319 1.499 9.947 1.00 0.00 H new ATOM 0 HA CYS A 119 5.088 2.637 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.692 1.787 10.080 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.027 1.913 8.463 1.00 0.00 H new ATOM 1761 N ALA A 120 5.987 4.611 9.494 1.00 0.00 N ATOM 1762 CA ALA A 120 5.939 5.947 10.074 1.00 0.00 C ATOM 1763 C ALA A 120 6.612 6.966 9.161 1.00 0.00 C ATOM 1764 O ALA A 120 6.823 8.117 9.545 1.00 0.00 O ATOM 1765 CB ALA A 120 6.594 5.951 11.447 1.00 0.00 C ATOM 0 H ALA A 120 6.929 4.261 9.318 1.00 0.00 H new ATOM 0 HA ALA A 120 4.892 6.231 10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.551 6.956 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.066 5.259 12.104 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.635 5.641 11.354 1.00 0.00 H new ATOM 1771 N THR A 121 6.949 6.536 7.949 1.00 0.00 N ATOM 1772 CA THR A 121 7.601 7.410 6.981 1.00 0.00 C ATOM 1773 C THR A 121 6.581 8.062 6.055 1.00 0.00 C ATOM 1774 O THR A 121 5.809 7.390 5.370 1.00 0.00 O ATOM 1775 CB THR A 121 8.630 6.641 6.133 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.704 6.182 6.962 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.182 7.521 5.021 1.00 0.00 C ATOM 0 H THR A 121 6.781 5.587 7.614 1.00 0.00 H new ATOM 0 HA THR A 121 8.117 8.183 7.551 1.00 0.00 H new ATOM 0 HB THR A 121 8.128 5.785 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.353 5.692 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 121 9.907 6.956 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.366 7.844 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.669 8.394 5.456 1.00 0.00 H new ATOM 1785 N PRO A 122 6.575 9.403 6.030 1.00 0.00 N ATOM 1786 CA PRO A 122 5.654 10.175 5.190 1.00 0.00 C ATOM 1787 C PRO A 122 5.982 10.051 3.705 1.00 0.00 C ATOM 1788 O PRO A 122 6.919 10.680 3.213 1.00 0.00 O ATOM 1789 CB PRO A 122 5.863 11.615 5.665 1.00 0.00 C ATOM 1790 CG PRO A 122 7.243 11.632 6.226 1.00 0.00 C ATOM 1791 CD PRO A 122 7.466 10.269 6.820 1.00 0.00 C ATOM 0 HA PRO A 122 4.626 9.826 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.762 12.322 4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.126 11.894 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.977 11.844 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.347 12.409 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.507 9.959 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.213 10.246 7.880 1.00 0.00 H new ATOM 1799 N ARG A 123 5.205 9.238 2.998 1.00 0.00 N ATOM 1800 CA ARG A 123 5.413 9.032 1.570 1.00 0.00 C ATOM 1801 C ARG A 123 4.082 9.004 0.825 1.00 0.00 C ATOM 1802 O ARG A 123 3.020 8.788 1.408 1.00 0.00 O ATOM 1803 CB ARG A 123 6.173 7.726 1.328 1.00 0.00 C ATOM 1804 CG ARG A 123 7.683 7.895 1.304 1.00 0.00 C ATOM 1805 CD ARG A 123 8.378 6.632 0.822 1.00 0.00 C ATOM 1806 NE ARG A 123 9.821 6.684 1.039 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.639 7.479 0.359 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.157 8.286 -0.577 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.941 7.470 0.614 1.00 0.00 N ATOM 0 H ARG A 123 4.425 8.711 3.391 1.00 0.00 H new ATOM 0 HA ARG A 123 6.004 9.865 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.908 7.012 2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.849 7.297 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.946 8.728 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.038 8.148 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.964 5.769 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.176 6.490 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 123 10.223 6.076 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.157 8.297 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 123 10.787 8.896 -1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.315 6.852 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.567 8.081 0.090 1.00 0.00 H new ATOM 1823 N PRO A 124 4.139 9.229 -0.496 1.00 0.00 N ATOM 1824 CA PRO A 124 2.948 9.236 -1.350 1.00 0.00 C ATOM 1825 C PRO A 124 2.344 7.845 -1.514 1.00 0.00 C ATOM 1826 O PRO A 124 2.975 6.841 -1.182 1.00 0.00 O ATOM 1827 CB PRO A 124 3.475 9.751 -2.692 1.00 0.00 C ATOM 1828 CG PRO A 124 4.923 9.397 -2.690 1.00 0.00 C ATOM 1829 CD PRO A 124 5.371 9.494 -1.258 1.00 0.00 C ATOM 0 HA PRO A 124 2.149 9.846 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.954 9.284 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.330 10.827 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.079 8.391 -3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.492 10.077 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.149 8.765 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.780 10.478 -1.031 1.00 0.00 H new ATOM 1837 N PHE A 125 1.120 7.793 -2.028 1.00 0.00 N ATOM 1838 CA PHE A 125 0.431 6.524 -2.235 1.00 0.00 C ATOM 1839 C PHE A 125 -0.513 6.607 -3.431 1.00 0.00 C ATOM 1840 O PHE A 125 -0.653 7.661 -4.053 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.352 6.134 -0.980 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.017 7.297 -0.302 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.262 8.300 0.284 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.399 7.389 -0.252 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -0.872 9.371 0.909 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.015 8.458 0.371 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.250 9.451 0.951 1.00 0.00 C ATOM 0 H PHE A 125 0.585 8.614 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 125 1.182 5.760 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.110 5.399 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.325 5.651 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.816 8.244 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.002 6.616 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.272 10.145 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.093 8.517 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.729 10.289 1.437 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.157 5.489 -3.747 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.088 5.435 -4.868 1.00 0.00 C ATOM 1859 C ILE A 126 -3.401 4.777 -4.460 1.00 0.00 C ATOM 1860 O ILE A 126 -3.416 3.653 -3.957 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.489 4.664 -6.060 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.271 5.406 -6.615 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.537 4.470 -7.145 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.222 4.855 -7.934 1.00 0.00 C ATOM 0 H ILE A 126 -1.052 4.608 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.279 6.465 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.166 3.682 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.524 6.459 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.537 5.358 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.099 3.924 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.377 3.904 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.887 5.443 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.087 5.429 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.506 3.810 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.571 4.928 -8.678 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.505 5.484 -4.682 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.825 4.970 -4.339 1.00 0.00 C ATOM 1878 C CYS A 127 -6.463 4.268 -5.535 1.00 0.00 C ATOM 1879 O CYS A 127 -6.231 4.645 -6.684 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.729 6.106 -3.859 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.960 7.193 -2.616 1.00 0.00 S ATOM 0 H CYS A 127 -4.511 6.415 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.707 4.244 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.026 6.707 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.640 5.679 -3.439 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.266 3.247 -5.256 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.937 2.494 -6.309 1.00 0.00 C ATOM 1888 C GLN A 128 -9.364 2.142 -5.902 1.00 0.00 C ATOM 1889 O GLN A 128 -9.676 2.041 -4.715 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.156 1.218 -6.628 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.862 0.303 -7.616 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.999 -0.865 -8.050 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.890 -0.680 -8.550 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.505 -2.078 -7.859 1.00 0.00 N ATOM 0 H GLN A 128 -7.468 2.922 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.977 3.120 -7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.181 1.490 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.977 0.671 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.778 -0.076 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.155 0.879 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.429 -2.185 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.969 -2.903 -8.130 1.00 0.00 H new