USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -152:sc= -3.71! (180deg=-3.28!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.119 K(o=-3.8,f=-4.4) USER MOD Set 2.1: A 11 SER OG : rot -49:sc= 0.278 USER MOD Set 2.2: A 76 CYS SG : rot -1:sc= -0.658! USER MOD Set 3.1: A 1 MET N :NH3+ -124:sc= 1.15 (180deg=0.00347) USER MOD Set 3.2: A 4 TYR OH : rot 30:sc= 0.775 USER MOD Single : A 5 TYR OH : rot 17:sc= -5.24! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.15 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.1!) USER MOD Single : A 40 MET CE :methyl -179:sc= -5.22 (180deg=-5.26) USER MOD Single : A 41 THR OG1 : rot 87:sc= 0.9 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 105:sc= -4.54! USER MOD Single : A 57 GLN : amide:sc= -0.0465 K(o=-0.046,f=-1.7!) USER MOD Single : A 58 SER OG : rot 29:sc= 1.05 USER MOD Single : A 63 ASN : amide:sc= 0.0517 X(o=0.052,f=0) USER MOD Single : A 64 TYR OH : rot -9:sc= 0.00276 USER MOD Single : A 67 HIS : no HD1:sc= -4.19! K(o=-4.2!,f=-1.9) USER MOD Single : A 69 TYR OH : rot -84:sc= -4.13! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 158:sc= -1.44! USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0.0104 (180deg=0.0085) USER MOD Single : A 85 TYR OH : rot -15:sc= -2.93! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.7!) USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= -0.271 (180deg=-1.17!) USER MOD Single : A 101 TYR OH : rot -86:sc= -2.5! USER MOD Single : A 105 HIS : no HD1:sc= -5.55! K(o=-5.6!,f=-2.7) USER MOD Single : A 107 LYS NZ :NH3+ 150:sc= -0.299 (180deg=-1.42!) USER MOD Single : A 114 THR OG1 : rot -43:sc= 0.955 USER MOD Single : A 116 THR OG1 : rot 84:sc= -0.225 USER MOD Single : A 117 ASN : amide:sc= -2.25 K(o=-2.2,f=-6.9!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 157:sc= -11.5! (180deg=-14!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -1.82 K(o=-1.8,f=-7.7!) USER MOD Single : A 127 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 128 TYR OH : rot 120:sc= -1.23 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 148:sc= -0.566 (180deg=-1.03) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1 K(o=-1,f=-3.9!) USER MOD Single : A 136 SER OG : rot 23:sc= 1.23 USER MOD Single : A 137 GLN : amide:sc= -2.23 K(o=-2.2,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.250 8.976 1.369 1.00 0.00 N ATOM 2 CA MET A 1 -13.133 9.953 1.445 1.00 0.00 C ATOM 3 C MET A 1 -11.967 9.396 2.256 1.00 0.00 C ATOM 4 O MET A 1 -12.072 8.330 2.861 1.00 0.00 O ATOM 5 CB MET A 1 -13.655 11.240 2.086 1.00 0.00 C ATOM 6 CG MET A 1 -13.045 12.504 1.501 1.00 0.00 C ATOM 7 SD MET A 1 -12.634 13.727 2.761 1.00 0.00 S ATOM 8 CE MET A 1 -11.853 14.992 1.764 1.00 0.00 C ATOM 0 H1 MET A 1 -14.479 8.788 0.372 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.967 8.089 1.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.086 9.366 1.849 1.00 0.00 H new ATOM 0 HA MET A 1 -12.765 10.156 0.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.738 11.281 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.452 11.211 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.144 12.244 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.743 12.943 0.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.132 15.540 2.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.340 14.527 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.611 15.681 1.391 1.00 0.00 H new ATOM 20 N ARG A 2 -10.857 10.127 2.264 1.00 0.00 N ATOM 21 CA ARG A 2 -9.669 9.711 3.001 1.00 0.00 C ATOM 22 C ARG A 2 -9.128 8.386 2.472 1.00 0.00 C ATOM 23 O ARG A 2 -9.666 7.818 1.521 1.00 0.00 O ATOM 24 CB ARG A 2 -9.984 9.588 4.493 1.00 0.00 C ATOM 25 CG ARG A 2 -10.089 10.926 5.204 1.00 0.00 C ATOM 26 CD ARG A 2 -11.005 10.844 6.415 1.00 0.00 C ATOM 27 NE ARG A 2 -12.416 10.825 6.033 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.412 11.125 6.863 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.159 11.464 8.121 1.00 0.00 N ATOM 30 NH2 ARG A 2 -14.666 11.086 6.434 1.00 0.00 N ATOM 0 H ARG A 2 -10.755 11.012 1.767 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.904 10.474 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.922 9.047 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.208 8.991 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.097 11.251 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.466 11.678 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.772 9.945 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.818 11.695 7.070 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.651 10.567 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.196 11.496 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.927 11.693 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.867 10.826 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.430 11.316 7.070 1.00 0.00 H new ATOM 44 N ILE A 3 -8.058 7.903 3.094 1.00 0.00 N ATOM 45 CA ILE A 3 -7.434 6.648 2.691 1.00 0.00 C ATOM 46 C ILE A 3 -8.294 5.455 3.091 1.00 0.00 C ATOM 47 O ILE A 3 -9.163 5.567 3.956 1.00 0.00 O ATOM 48 CB ILE A 3 -6.032 6.507 3.312 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.274 5.326 2.716 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.134 6.344 4.819 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.783 5.421 2.950 1.00 0.00 C ATOM 0 H ILE A 3 -7.603 8.364 3.882 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.340 6.664 1.605 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.478 7.418 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.649 4.400 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.469 5.276 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.135 6.246 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.625 7.218 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.715 5.451 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.289 4.556 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.400 6.333 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.583 5.443 4.021 1.00 0.00 H new ATOM 63 N TYR A 4 -8.054 4.316 2.452 1.00 0.00 N ATOM 64 CA TYR A 4 -8.822 3.112 2.746 1.00 0.00 C ATOM 65 C TYR A 4 -7.960 1.852 2.700 1.00 0.00 C ATOM 66 O TYR A 4 -8.285 0.856 3.347 1.00 0.00 O ATOM 67 CB TYR A 4 -9.986 2.981 1.767 1.00 0.00 C ATOM 68 CG TYR A 4 -11.089 3.984 2.011 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.863 3.926 3.162 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.355 4.988 1.089 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.873 4.842 3.389 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.362 5.907 1.309 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.119 5.830 2.460 1.00 0.00 C ATOM 74 OH TYR A 4 -14.123 6.744 2.681 1.00 0.00 O ATOM 0 H TYR A 4 -7.340 4.201 1.733 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.204 3.211 3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.612 3.103 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.398 1.974 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.673 3.153 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.765 5.051 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.466 4.784 4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.556 6.683 0.583 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.233 6.882 3.645 1.00 0.00 H new ATOM 84 N TYR A 5 -6.874 1.879 1.932 1.00 0.00 N ATOM 85 CA TYR A 5 -6.009 0.710 1.829 1.00 0.00 C ATOM 86 C TYR A 5 -4.568 1.088 1.517 1.00 0.00 C ATOM 87 O TYR A 5 -4.296 2.088 0.851 1.00 0.00 O ATOM 88 CB TYR A 5 -6.541 -0.243 0.756 1.00 0.00 C ATOM 89 CG TYR A 5 -5.689 -1.479 0.525 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.427 -1.390 -0.057 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.157 -2.741 0.870 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.662 -2.514 -0.286 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.393 -3.873 0.647 1.00 0.00 C ATOM 94 CZ TYR A 5 -4.148 -3.752 0.067 1.00 0.00 C ATOM 95 OH TYR A 5 -3.389 -4.873 -0.166 1.00 0.00 O ATOM 0 H TYR A 5 -6.576 2.684 1.381 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.016 0.213 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.546 -0.559 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.628 0.302 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.040 -0.421 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.134 -2.840 1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.686 -2.423 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.770 -4.846 0.926 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.458 -4.611 -0.325 1.00 0.00 H new ATOM 105 N ILE A 6 -3.656 0.251 1.992 1.00 0.00 N ATOM 106 CA ILE A 6 -2.233 0.433 1.774 1.00 0.00 C ATOM 107 C ILE A 6 -1.547 -0.921 1.904 1.00 0.00 C ATOM 108 O ILE A 6 -2.158 -1.883 2.367 1.00 0.00 O ATOM 109 CB ILE A 6 -1.642 1.463 2.775 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.721 2.871 2.171 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.207 1.136 3.174 1.00 0.00 C ATOM 112 CD1 ILE A 6 -1.010 3.935 2.985 1.00 0.00 C ATOM 0 H ILE A 6 -3.887 -0.577 2.542 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.063 0.832 0.774 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.239 1.416 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.293 2.849 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.769 3.151 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.156 1.888 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.175 0.154 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.425 1.132 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.113 4.901 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.452 3.988 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.047 3.682 3.071 1.00 0.00 H new ATOM 124 N GLY A 7 -0.295 -1.005 1.492 1.00 0.00 N ATOM 125 CA GLY A 7 0.413 -2.260 1.585 1.00 0.00 C ATOM 126 C GLY A 7 1.601 -2.334 0.658 1.00 0.00 C ATOM 127 O GLY A 7 2.138 -1.312 0.229 1.00 0.00 O ATOM 0 H GLY A 7 0.241 -0.232 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.750 -2.406 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.272 -3.076 1.355 1.00 0.00 H new ATOM 131 N VAL A 8 2.012 -3.552 0.354 1.00 0.00 N ATOM 132 CA VAL A 8 3.145 -3.780 -0.520 1.00 0.00 C ATOM 133 C VAL A 8 2.878 -4.972 -1.431 1.00 0.00 C ATOM 134 O VAL A 8 1.979 -5.771 -1.163 1.00 0.00 O ATOM 135 CB VAL A 8 4.428 -4.033 0.281 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.609 -3.362 -0.394 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.287 -3.550 1.718 1.00 0.00 C ATOM 0 H VAL A 8 1.573 -4.404 0.704 1.00 0.00 H new ATOM 0 HA VAL A 8 3.282 -2.881 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 8 4.603 -5.108 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.513 -3.549 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.731 -3.766 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.432 -2.288 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.213 -3.744 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.080 -2.480 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.467 -4.080 2.201 1.00 0.00 H new ATOM 147 N PHE A 9 3.638 -5.086 -2.517 1.00 0.00 N ATOM 148 CA PHE A 9 3.437 -6.179 -3.461 1.00 0.00 C ATOM 149 C PHE A 9 4.695 -6.484 -4.271 1.00 0.00 C ATOM 150 O PHE A 9 5.262 -5.601 -4.910 1.00 0.00 O ATOM 151 CB PHE A 9 2.314 -5.815 -4.423 1.00 0.00 C ATOM 152 CG PHE A 9 1.015 -5.468 -3.757 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.820 -4.227 -3.169 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.023 -6.381 -3.745 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.386 -3.914 -2.577 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.231 -6.068 -3.159 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.411 -4.834 -2.575 1.00 0.00 C ATOM 0 H PHE A 9 4.390 -4.442 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 9 3.185 -7.067 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.633 -4.969 -5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.148 -6.652 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.619 -3.500 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.114 -7.351 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.526 -2.948 -2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.035 -6.789 -3.158 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.357 -4.587 -2.115 1.00 0.00 H new ATOM 167 N ARG A 10 5.108 -7.746 -4.270 1.00 0.00 N ATOM 168 CA ARG A 10 6.279 -8.157 -5.035 1.00 0.00 C ATOM 169 C ARG A 10 5.895 -8.415 -6.489 1.00 0.00 C ATOM 170 O ARG A 10 5.061 -9.271 -6.776 1.00 0.00 O ATOM 171 CB ARG A 10 6.903 -9.417 -4.433 1.00 0.00 C ATOM 172 CG ARG A 10 8.074 -9.958 -5.235 1.00 0.00 C ATOM 173 CD ARG A 10 7.633 -11.030 -6.218 1.00 0.00 C ATOM 174 NE ARG A 10 8.414 -10.995 -7.452 1.00 0.00 N ATOM 175 CZ ARG A 10 8.523 -12.023 -8.291 1.00 0.00 C ATOM 176 NH1 ARG A 10 7.897 -13.166 -8.038 1.00 0.00 N ATOM 177 NH2 ARG A 10 9.258 -11.907 -9.389 1.00 0.00 N ATOM 0 H ARG A 10 4.653 -8.498 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 10 7.012 -7.351 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.238 -9.198 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.138 -10.190 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.552 -9.142 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.820 -10.371 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.733 -12.011 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.577 -10.894 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 10 8.905 -10.132 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.328 -13.261 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.985 -13.950 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.739 -11.031 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.342 -12.694 -10.032 1.00 0.00 H new ATOM 191 N SER A 11 6.504 -7.668 -7.402 1.00 0.00 N ATOM 192 CA SER A 11 6.216 -7.819 -8.823 1.00 0.00 C ATOM 193 C SER A 11 6.426 -9.260 -9.277 1.00 0.00 C ATOM 194 O SER A 11 7.555 -9.687 -9.522 1.00 0.00 O ATOM 195 CB SER A 11 7.095 -6.885 -9.650 1.00 0.00 C ATOM 196 OG SER A 11 7.487 -5.751 -8.896 1.00 0.00 O ATOM 0 H SER A 11 7.199 -6.953 -7.185 1.00 0.00 H new ATOM 0 HA SER A 11 5.170 -7.556 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.980 -7.422 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.553 -6.564 -10.540 1.00 0.00 H new ATOM 0 HG SER A 11 6.700 -5.357 -8.464 1.00 0.00 H new ATOM 202 N GLY A 12 5.331 -10.000 -9.389 1.00 0.00 N ATOM 203 CA GLY A 12 5.410 -11.384 -9.817 1.00 0.00 C ATOM 204 C GLY A 12 5.377 -11.525 -11.326 1.00 0.00 C ATOM 205 O GLY A 12 5.822 -10.633 -12.049 1.00 0.00 O ATOM 0 H GLY A 12 4.388 -9.666 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.328 -11.828 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.580 -11.943 -9.384 1.00 0.00 H new ATOM 209 N GLY A 13 4.847 -12.646 -11.803 1.00 0.00 N ATOM 210 CA GLY A 13 4.767 -12.877 -13.233 1.00 0.00 C ATOM 211 C GLY A 13 3.438 -12.441 -13.818 1.00 0.00 C ATOM 212 O GLY A 13 3.339 -11.372 -14.421 1.00 0.00 O ATOM 0 H GLY A 13 4.472 -13.398 -11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.574 -12.338 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.919 -13.937 -13.436 1.00 0.00 H new ATOM 216 N GLU A 14 2.415 -13.269 -13.639 1.00 0.00 N ATOM 217 CA GLU A 14 1.084 -12.964 -14.152 1.00 0.00 C ATOM 218 C GLU A 14 0.502 -11.734 -13.462 1.00 0.00 C ATOM 219 O GLU A 14 -0.301 -11.006 -14.044 1.00 0.00 O ATOM 220 CB GLU A 14 0.154 -14.164 -13.960 1.00 0.00 C ATOM 221 CG GLU A 14 -0.101 -14.946 -15.239 1.00 0.00 C ATOM 222 CD GLU A 14 1.099 -15.765 -15.671 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.085 -15.167 -16.147 1.00 0.00 O ATOM 224 OE2 GLU A 14 1.052 -17.006 -15.532 1.00 0.00 O ATOM 0 H GLU A 14 2.482 -14.157 -13.142 1.00 0.00 H new ATOM 0 HA GLU A 14 1.172 -12.750 -15.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.586 -14.832 -13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.798 -13.815 -13.561 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.954 -15.608 -15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.369 -14.253 -16.037 1.00 0.00 H new ATOM 231 N LYS A 15 0.911 -11.510 -12.217 1.00 0.00 N ATOM 232 CA LYS A 15 0.430 -10.370 -11.448 1.00 0.00 C ATOM 233 C LYS A 15 1.367 -10.072 -10.280 1.00 0.00 C ATOM 234 O LYS A 15 2.476 -10.602 -10.213 1.00 0.00 O ATOM 235 CB LYS A 15 -0.988 -10.637 -10.935 1.00 0.00 C ATOM 236 CG LYS A 15 -1.066 -11.753 -9.904 1.00 0.00 C ATOM 237 CD LYS A 15 -1.153 -13.118 -10.566 1.00 0.00 C ATOM 238 CE LYS A 15 -1.165 -14.237 -9.537 1.00 0.00 C ATOM 239 NZ LYS A 15 -0.748 -15.538 -10.127 1.00 0.00 N ATOM 0 H LYS A 15 1.575 -12.104 -11.720 1.00 0.00 H new ATOM 0 HA LYS A 15 0.409 -9.499 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.385 -9.721 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.629 -10.890 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.188 -11.716 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.937 -11.601 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.056 -13.172 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.307 -13.251 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.497 -13.981 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.166 -14.333 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.769 -16.275 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.400 -15.796 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.217 -15.454 -10.505 1.00 0.00 H new ATOM 253 N ALA A 16 0.915 -9.223 -9.365 1.00 0.00 N ATOM 254 CA ALA A 16 1.715 -8.859 -8.204 1.00 0.00 C ATOM 255 C ALA A 16 1.559 -9.882 -7.088 1.00 0.00 C ATOM 256 O ALA A 16 0.470 -10.408 -6.861 1.00 0.00 O ATOM 257 CB ALA A 16 1.323 -7.478 -7.707 1.00 0.00 C ATOM 0 H ALA A 16 -0.000 -8.775 -9.405 1.00 0.00 H new ATOM 0 HA ALA A 16 2.762 -8.844 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.929 -7.218 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.489 -6.746 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.269 -7.477 -7.428 1.00 0.00 H new ATOM 263 N LEU A 17 2.654 -10.158 -6.389 1.00 0.00 N ATOM 264 CA LEU A 17 2.633 -11.115 -5.293 1.00 0.00 C ATOM 265 C LEU A 17 2.357 -10.409 -3.970 1.00 0.00 C ATOM 266 O LEU A 17 3.109 -9.526 -3.557 1.00 0.00 O ATOM 267 CB LEU A 17 3.960 -11.873 -5.220 1.00 0.00 C ATOM 268 CG LEU A 17 3.873 -13.283 -4.632 1.00 0.00 C ATOM 269 CD1 LEU A 17 3.611 -13.223 -3.137 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.790 -14.090 -5.333 1.00 0.00 C ATOM 0 H LEU A 17 3.565 -9.733 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 17 1.832 -11.830 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.377 -11.941 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.661 -11.290 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 17 4.829 -13.781 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.552 -14.235 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.423 -12.685 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.670 -12.705 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.744 -15.090 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.827 -13.595 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.022 -14.165 -6.395 1.00 0.00 H new ATOM 282 N GLU A 18 1.269 -10.798 -3.313 1.00 0.00 N ATOM 283 CA GLU A 18 0.881 -10.199 -2.038 1.00 0.00 C ATOM 284 C GLU A 18 2.062 -10.119 -1.073 1.00 0.00 C ATOM 285 O GLU A 18 2.414 -11.103 -0.422 1.00 0.00 O ATOM 286 CB GLU A 18 -0.255 -11.001 -1.402 1.00 0.00 C ATOM 287 CG GLU A 18 -1.590 -10.833 -2.109 1.00 0.00 C ATOM 288 CD GLU A 18 -2.458 -12.072 -2.019 1.00 0.00 C ATOM 289 OE1 GLU A 18 -2.368 -12.787 -0.999 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.230 -12.327 -2.967 1.00 0.00 O ATOM 0 H GLU A 18 0.638 -11.528 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 18 0.540 -9.183 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.015 -12.057 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.364 -10.697 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.123 -9.988 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.414 -10.593 -3.158 1.00 0.00 H new ATOM 297 N LEU A 19 2.662 -8.936 -0.978 1.00 0.00 N ATOM 298 CA LEU A 19 3.793 -8.720 -0.086 1.00 0.00 C ATOM 299 C LEU A 19 3.310 -8.500 1.343 1.00 0.00 C ATOM 300 O LEU A 19 3.586 -9.300 2.236 1.00 0.00 O ATOM 301 CB LEU A 19 4.616 -7.521 -0.551 1.00 0.00 C ATOM 302 CG LEU A 19 6.096 -7.574 -0.172 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.873 -8.393 -1.188 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.673 -6.171 -0.068 1.00 0.00 C ATOM 0 H LEU A 19 2.382 -8.112 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 19 4.424 -9.609 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.536 -7.441 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.180 -6.614 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 19 6.185 -8.054 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.925 -8.421 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.477 -9.408 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.775 -7.938 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.727 -6.230 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.573 -5.664 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.133 -5.611 0.696 1.00 0.00 H new ATOM 316 N SER A 20 2.573 -7.414 1.543 1.00 0.00 N ATOM 317 CA SER A 20 2.027 -7.081 2.854 1.00 0.00 C ATOM 318 C SER A 20 0.880 -6.085 2.698 1.00 0.00 C ATOM 319 O SER A 20 1.094 -4.943 2.297 1.00 0.00 O ATOM 320 CB SER A 20 3.114 -6.520 3.773 1.00 0.00 C ATOM 321 OG SER A 20 4.314 -6.267 3.063 1.00 0.00 O ATOM 0 H SER A 20 2.338 -6.745 0.810 1.00 0.00 H new ATOM 0 HA SER A 20 1.643 -7.991 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.762 -5.598 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.309 -7.226 4.580 1.00 0.00 H new ATOM 0 HG SER A 20 4.988 -5.908 3.677 1.00 0.00 H new ATOM 327 N GLU A 21 -0.342 -6.536 2.966 1.00 0.00 N ATOM 328 CA GLU A 21 -1.519 -5.688 2.789 1.00 0.00 C ATOM 329 C GLU A 21 -2.143 -5.199 4.097 1.00 0.00 C ATOM 330 O GLU A 21 -2.404 -5.978 5.014 1.00 0.00 O ATOM 331 CB GLU A 21 -2.574 -6.450 1.989 1.00 0.00 C ATOM 332 CG GLU A 21 -2.043 -7.047 0.694 1.00 0.00 C ATOM 333 CD GLU A 21 -1.428 -8.417 0.892 1.00 0.00 C ATOM 334 OE1 GLU A 21 -2.192 -9.399 1.010 1.00 0.00 O ATOM 335 OE2 GLU A 21 -0.183 -8.511 0.929 1.00 0.00 O ATOM 0 H GLU A 21 -0.544 -7.477 3.304 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.176 -4.799 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.980 -7.250 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.399 -5.776 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.856 -7.119 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.297 -6.376 0.268 1.00 0.00 H new ATOM 342 N VAL A 22 -2.425 -3.896 4.135 1.00 0.00 N ATOM 343 CA VAL A 22 -3.071 -3.254 5.269 1.00 0.00 C ATOM 344 C VAL A 22 -4.377 -2.614 4.802 1.00 0.00 C ATOM 345 O VAL A 22 -4.417 -1.980 3.748 1.00 0.00 O ATOM 346 CB VAL A 22 -2.169 -2.179 5.900 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.793 -1.111 4.891 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.840 -1.552 7.114 1.00 0.00 C ATOM 0 H VAL A 22 -2.208 -3.256 3.371 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.268 -4.013 6.027 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.252 -2.670 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.156 -0.367 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.256 -1.568 4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.697 -0.629 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.183 -0.795 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.779 -1.088 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.039 -2.323 7.858 1.00 0.00 H new ATOM 358 N LYS A 23 -5.450 -2.803 5.562 1.00 0.00 N ATOM 359 CA LYS A 23 -6.747 -2.255 5.174 1.00 0.00 C ATOM 360 C LYS A 23 -7.228 -1.164 6.113 1.00 0.00 C ATOM 361 O LYS A 23 -6.801 -1.070 7.264 1.00 0.00 O ATOM 362 CB LYS A 23 -7.805 -3.356 5.137 1.00 0.00 C ATOM 363 CG LYS A 23 -7.363 -4.610 4.398 1.00 0.00 C ATOM 364 CD LYS A 23 -7.229 -5.798 5.338 1.00 0.00 C ATOM 365 CE LYS A 23 -6.817 -7.055 4.591 1.00 0.00 C ATOM 366 NZ LYS A 23 -6.048 -7.990 5.458 1.00 0.00 N ATOM 0 H LYS A 23 -5.450 -3.324 6.439 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.607 -1.821 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.073 -3.624 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.706 -2.965 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.084 -4.845 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.408 -4.425 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.491 -5.573 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.178 -5.970 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.706 -7.560 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.212 -6.782 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.786 -8.835 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.187 -7.518 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.634 -8.272 6.270 1.00 0.00 H new ATOM 380 N ASP A 24 -8.166 -0.372 5.610 1.00 0.00 N ATOM 381 CA ASP A 24 -8.779 0.690 6.382 1.00 0.00 C ATOM 382 C ASP A 24 -10.278 0.672 6.128 1.00 0.00 C ATOM 383 O ASP A 24 -10.746 1.039 5.051 1.00 0.00 O ATOM 384 CB ASP A 24 -8.190 2.050 6.000 1.00 0.00 C ATOM 385 CG ASP A 24 -7.385 2.668 7.126 1.00 0.00 C ATOM 386 OD1 ASP A 24 -6.938 1.917 8.018 1.00 0.00 O ATOM 387 OD2 ASP A 24 -7.201 3.903 7.116 1.00 0.00 O ATOM 0 H ASP A 24 -8.520 -0.451 4.657 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.580 0.529 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.553 1.934 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.997 2.727 5.720 1.00 0.00 H new ATOM 392 N LEU A 25 -11.024 0.219 7.123 1.00 0.00 N ATOM 393 CA LEU A 25 -12.471 0.122 7.015 1.00 0.00 C ATOM 394 C LEU A 25 -13.155 1.237 7.797 1.00 0.00 C ATOM 395 O LEU A 25 -13.816 0.991 8.806 1.00 0.00 O ATOM 396 CB LEU A 25 -12.942 -1.246 7.519 1.00 0.00 C ATOM 397 CG LEU A 25 -12.273 -2.453 6.854 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.465 -2.410 5.346 1.00 0.00 C ATOM 399 CD2 LEU A 25 -10.792 -2.506 7.199 1.00 0.00 C ATOM 0 H LEU A 25 -10.648 -0.089 8.020 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.744 0.230 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.766 -1.300 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.019 -1.319 7.369 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.748 -3.357 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.982 -3.276 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.530 -2.426 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.020 -1.498 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.337 -3.371 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.304 -1.596 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.673 -2.589 8.279 1.00 0.00 H new ATOM 411 N SER A 26 -12.993 2.465 7.319 1.00 0.00 N ATOM 412 CA SER A 26 -13.597 3.623 7.968 1.00 0.00 C ATOM 413 C SER A 26 -15.116 3.478 8.023 1.00 0.00 C ATOM 414 O SER A 26 -15.684 3.194 9.078 1.00 0.00 O ATOM 415 CB SER A 26 -13.219 4.907 7.226 1.00 0.00 C ATOM 416 OG SER A 26 -12.233 5.636 7.938 1.00 0.00 O ATOM 0 H SER A 26 -12.449 2.685 6.485 1.00 0.00 H new ATOM 0 HA SER A 26 -13.216 3.680 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.846 4.660 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.106 5.526 7.089 1.00 0.00 H new ATOM 0 HG SER A 26 -12.007 6.451 7.443 1.00 0.00 H new ATOM 422 N GLN A 27 -15.765 3.669 6.880 1.00 0.00 N ATOM 423 CA GLN A 27 -17.217 3.552 6.796 1.00 0.00 C ATOM 424 C GLN A 27 -17.633 2.100 6.574 1.00 0.00 C ATOM 425 O GLN A 27 -18.765 1.716 6.871 1.00 0.00 O ATOM 426 CB GLN A 27 -17.754 4.429 5.663 1.00 0.00 C ATOM 427 CG GLN A 27 -17.422 5.903 5.827 1.00 0.00 C ATOM 428 CD GLN A 27 -18.264 6.793 4.936 1.00 0.00 C ATOM 429 OE1 GLN A 27 -18.593 6.430 3.807 1.00 0.00 O ATOM 430 NE2 GLN A 27 -18.619 7.969 5.441 1.00 0.00 N ATOM 0 H GLN A 27 -15.309 3.905 5.999 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.641 3.892 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.345 4.076 4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.836 4.313 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.571 6.192 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.368 6.061 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.324 8.230 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.186 8.611 4.888 1.00 0.00 H new ATOM 439 N PHE A 28 -16.709 1.295 6.055 1.00 0.00 N ATOM 440 CA PHE A 28 -16.975 -0.118 5.799 1.00 0.00 C ATOM 441 C PHE A 28 -16.987 -0.898 7.110 1.00 0.00 C ATOM 442 O PHE A 28 -16.083 -0.753 7.932 1.00 0.00 O ATOM 443 CB PHE A 28 -15.923 -0.703 4.848 1.00 0.00 C ATOM 444 CG PHE A 28 -15.291 0.314 3.937 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.064 1.276 3.308 1.00 0.00 C ATOM 446 CD2 PHE A 28 -13.923 0.311 3.718 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.484 2.216 2.477 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.338 1.249 2.891 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.119 2.202 2.269 1.00 0.00 C ATOM 0 H PHE A 28 -15.768 1.598 5.803 1.00 0.00 H new ATOM 0 HA PHE A 28 -17.954 -0.203 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.142 -1.183 5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.388 -1.480 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -17.132 1.292 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.307 -0.434 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -16.098 2.960 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.270 1.237 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.663 2.936 1.621 1.00 0.00 H new ATOM 459 N GLY A 29 -18.013 -1.724 7.310 1.00 0.00 N ATOM 460 CA GLY A 29 -18.099 -2.500 8.537 1.00 0.00 C ATOM 461 C GLY A 29 -19.408 -3.253 8.696 1.00 0.00 C ATOM 462 O GLY A 29 -19.485 -4.204 9.473 1.00 0.00 O ATOM 0 H GLY A 29 -18.779 -1.869 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.275 -3.213 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.969 -1.832 9.388 1.00 0.00 H new ATOM 466 N PHE A 30 -20.441 -2.836 7.970 1.00 0.00 N ATOM 467 CA PHE A 30 -21.744 -3.490 8.053 1.00 0.00 C ATOM 468 C PHE A 30 -21.812 -4.717 7.142 1.00 0.00 C ATOM 469 O PHE A 30 -22.845 -4.984 6.530 1.00 0.00 O ATOM 470 CB PHE A 30 -22.865 -2.504 7.706 1.00 0.00 C ATOM 471 CG PHE A 30 -22.901 -2.102 6.258 1.00 0.00 C ATOM 472 CD1 PHE A 30 -22.095 -1.079 5.788 1.00 0.00 C ATOM 473 CD2 PHE A 30 -23.748 -2.744 5.368 1.00 0.00 C ATOM 474 CE1 PHE A 30 -22.130 -0.705 4.458 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.788 -2.375 4.038 1.00 0.00 C ATOM 476 CZ PHE A 30 -22.978 -1.354 3.582 1.00 0.00 C ATOM 0 H PHE A 30 -20.402 -2.051 7.320 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.880 -3.828 9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -23.823 -2.951 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -22.750 -1.609 8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.431 -0.567 6.469 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -24.384 -3.543 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -21.495 0.094 4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -24.452 -2.884 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 30 -23.007 -1.063 2.542 1.00 0.00 H new ATOM 486 N PHE A 31 -20.701 -5.456 7.054 1.00 0.00 N ATOM 487 CA PHE A 31 -20.612 -6.656 6.218 1.00 0.00 C ATOM 488 C PHE A 31 -20.189 -6.296 4.797 1.00 0.00 C ATOM 489 O PHE A 31 -20.346 -7.092 3.872 1.00 0.00 O ATOM 490 CB PHE A 31 -21.937 -7.426 6.200 1.00 0.00 C ATOM 491 CG PHE A 31 -22.587 -7.523 7.552 1.00 0.00 C ATOM 492 CD1 PHE A 31 -21.838 -7.854 8.669 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.941 -7.276 7.705 1.00 0.00 C ATOM 494 CE1 PHE A 31 -22.428 -7.939 9.916 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.537 -7.359 8.949 1.00 0.00 C ATOM 496 CZ PHE A 31 -23.780 -7.691 10.056 1.00 0.00 C ATOM 0 H PHE A 31 -19.841 -5.239 7.559 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.852 -7.304 6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.624 -6.938 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -21.760 -8.431 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -20.781 -8.048 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -24.537 -7.016 6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -21.833 -8.199 10.779 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.594 -7.164 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.244 -7.757 11.029 1.00 0.00 H new ATOM 506 N GLU A 32 -19.638 -5.096 4.637 1.00 0.00 N ATOM 507 CA GLU A 32 -19.176 -4.633 3.337 1.00 0.00 C ATOM 508 C GLU A 32 -17.658 -4.476 3.335 1.00 0.00 C ATOM 509 O GLU A 32 -17.009 -4.631 2.302 1.00 0.00 O ATOM 510 CB GLU A 32 -19.850 -3.307 2.965 1.00 0.00 C ATOM 511 CG GLU A 32 -19.397 -2.121 3.805 1.00 0.00 C ATOM 512 CD GLU A 32 -19.439 -0.814 3.035 1.00 0.00 C ATOM 513 OE1 GLU A 32 -19.582 -0.859 1.795 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.326 0.254 3.672 1.00 0.00 O ATOM 0 H GLU A 32 -19.501 -4.427 5.395 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.449 -5.379 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.650 -3.092 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -20.929 -3.419 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.033 -2.040 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.382 -2.298 4.160 1.00 0.00 H new ATOM 521 N ARG A 33 -17.097 -4.173 4.506 1.00 0.00 N ATOM 522 CA ARG A 33 -15.656 -4.000 4.648 1.00 0.00 C ATOM 523 C ARG A 33 -14.907 -5.186 4.057 1.00 0.00 C ATOM 524 O ARG A 33 -13.835 -5.030 3.474 1.00 0.00 O ATOM 525 CB ARG A 33 -15.283 -3.831 6.121 1.00 0.00 C ATOM 526 CG ARG A 33 -15.939 -4.850 7.038 1.00 0.00 C ATOM 527 CD ARG A 33 -15.279 -4.869 8.408 1.00 0.00 C ATOM 528 NE ARG A 33 -15.760 -5.975 9.233 1.00 0.00 N ATOM 529 CZ ARG A 33 -15.298 -7.221 9.147 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.350 -7.526 8.270 1.00 0.00 N ATOM 531 NH2 ARG A 33 -15.788 -8.164 9.940 1.00 0.00 N ATOM 0 H ARG A 33 -17.622 -4.043 5.370 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.368 -3.101 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.200 -3.907 6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.564 -2.829 6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.998 -4.616 7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.876 -5.841 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.199 -4.949 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.474 -3.925 8.917 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.493 -5.781 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.971 -6.804 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.000 -8.482 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.518 -7.935 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.435 -9.119 9.875 1.00 0.00 H new ATOM 545 N SER A 34 -15.485 -6.371 4.203 1.00 0.00 N ATOM 546 CA SER A 34 -14.878 -7.584 3.675 1.00 0.00 C ATOM 547 C SER A 34 -14.761 -7.495 2.157 1.00 0.00 C ATOM 548 O SER A 34 -13.678 -7.665 1.592 1.00 0.00 O ATOM 549 CB SER A 34 -15.713 -8.805 4.068 1.00 0.00 C ATOM 550 OG SER A 34 -15.168 -9.993 3.522 1.00 0.00 O ATOM 0 H SER A 34 -16.373 -6.517 4.683 1.00 0.00 H new ATOM 0 HA SER A 34 -13.879 -7.690 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.755 -8.886 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.737 -8.677 3.718 1.00 0.00 H new ATOM 0 HG SER A 34 -15.719 -10.758 3.789 1.00 0.00 H new ATOM 556 N SER A 35 -15.884 -7.212 1.506 1.00 0.00 N ATOM 557 CA SER A 35 -15.915 -7.085 0.056 1.00 0.00 C ATOM 558 C SER A 35 -15.041 -5.922 -0.400 1.00 0.00 C ATOM 559 O SER A 35 -14.341 -6.018 -1.408 1.00 0.00 O ATOM 560 CB SER A 35 -17.351 -6.882 -0.430 1.00 0.00 C ATOM 561 OG SER A 35 -17.947 -8.116 -0.793 1.00 0.00 O ATOM 0 H SER A 35 -16.785 -7.066 1.961 1.00 0.00 H new ATOM 0 HA SER A 35 -15.523 -8.006 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.940 -6.407 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.356 -6.207 -1.285 1.00 0.00 H new ATOM 0 HG SER A 35 -18.865 -7.959 -1.098 1.00 0.00 H new ATOM 567 N VAL A 36 -15.082 -4.824 0.350 1.00 0.00 N ATOM 568 CA VAL A 36 -14.286 -3.652 0.014 1.00 0.00 C ATOM 569 C VAL A 36 -12.800 -3.966 0.094 1.00 0.00 C ATOM 570 O VAL A 36 -12.049 -3.683 -0.836 1.00 0.00 O ATOM 571 CB VAL A 36 -14.591 -2.453 0.930 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.034 -1.182 0.317 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.087 -2.326 1.183 1.00 0.00 C ATOM 0 H VAL A 36 -15.654 -4.723 1.188 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.556 -3.382 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.108 -2.618 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.253 -0.337 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.955 -1.278 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.493 -1.016 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.275 -1.471 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.605 -2.182 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.453 -3.234 1.663 1.00 0.00 H new ATOM 583 N GLY A 37 -12.377 -4.566 1.206 1.00 0.00 N ATOM 584 CA GLY A 37 -10.978 -4.920 1.360 1.00 0.00 C ATOM 585 C GLY A 37 -10.475 -5.686 0.160 1.00 0.00 C ATOM 586 O GLY A 37 -9.427 -5.364 -0.399 1.00 0.00 O ATOM 0 H GLY A 37 -12.974 -4.811 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.384 -4.016 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.849 -5.522 2.260 1.00 0.00 H new ATOM 590 N GLN A 38 -11.249 -6.681 -0.263 1.00 0.00 N ATOM 591 CA GLN A 38 -10.892 -7.463 -1.438 1.00 0.00 C ATOM 592 C GLN A 38 -10.823 -6.537 -2.645 1.00 0.00 C ATOM 593 O GLN A 38 -10.017 -6.731 -3.554 1.00 0.00 O ATOM 594 CB GLN A 38 -11.917 -8.574 -1.678 1.00 0.00 C ATOM 595 CG GLN A 38 -12.328 -9.303 -0.409 1.00 0.00 C ATOM 596 CD GLN A 38 -12.252 -10.811 -0.550 1.00 0.00 C ATOM 597 OE1 GLN A 38 -12.173 -11.339 -1.659 1.00 0.00 O ATOM 598 NE2 GLN A 38 -12.275 -11.512 0.578 1.00 0.00 N ATOM 0 H GLN A 38 -12.120 -6.962 0.187 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.921 -7.931 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.804 -8.145 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.502 -9.294 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.685 -8.986 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.346 -9.018 -0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.341 -11.032 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.226 -12.530 0.547 1.00 0.00 H new ATOM 607 N PHE A 39 -11.666 -5.505 -2.620 1.00 0.00 N ATOM 608 CA PHE A 39 -11.702 -4.512 -3.682 1.00 0.00 C ATOM 609 C PHE A 39 -10.390 -3.742 -3.709 1.00 0.00 C ATOM 610 O PHE A 39 -9.766 -3.576 -4.759 1.00 0.00 O ATOM 611 CB PHE A 39 -12.869 -3.548 -3.467 1.00 0.00 C ATOM 612 CG PHE A 39 -13.326 -2.865 -4.723 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.493 -1.979 -5.387 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.589 -3.106 -5.239 1.00 0.00 C ATOM 615 CE1 PHE A 39 -12.911 -1.347 -6.542 1.00 0.00 C ATOM 616 CE2 PHE A 39 -15.014 -2.475 -6.393 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.173 -1.595 -7.046 1.00 0.00 C ATOM 0 H PHE A 39 -12.335 -5.338 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.840 -5.020 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.707 -4.096 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.575 -2.792 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.506 -1.780 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.249 -3.795 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.252 -0.659 -7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.002 -2.670 -6.783 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.502 -1.102 -7.949 1.00 0.00 H new ATOM 627 N MET A 40 -9.978 -3.279 -2.534 1.00 0.00 N ATOM 628 CA MET A 40 -8.742 -2.527 -2.393 1.00 0.00 C ATOM 629 C MET A 40 -7.534 -3.388 -2.746 1.00 0.00 C ATOM 630 O MET A 40 -6.747 -3.039 -3.626 1.00 0.00 O ATOM 631 CB MET A 40 -8.607 -2.000 -0.966 1.00 0.00 C ATOM 632 CG MET A 40 -9.879 -1.365 -0.426 1.00 0.00 C ATOM 633 SD MET A 40 -9.737 0.422 -0.227 1.00 0.00 S ATOM 634 CE MET A 40 -11.463 0.888 -0.123 1.00 0.00 C ATOM 0 H MET A 40 -10.488 -3.414 -1.661 1.00 0.00 H new ATOM 0 HA MET A 40 -8.777 -1.685 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.315 -2.821 -0.311 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.803 -1.265 -0.934 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.705 -1.586 -1.101 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.124 -1.815 0.536 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.542 1.970 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.980 0.575 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.919 0.404 0.740 1.00 0.00 H new ATOM 644 N THR A 41 -7.392 -4.514 -2.052 1.00 0.00 N ATOM 645 CA THR A 41 -6.277 -5.426 -2.290 1.00 0.00 C ATOM 646 C THR A 41 -6.196 -5.816 -3.762 1.00 0.00 C ATOM 647 O THR A 41 -5.196 -5.556 -4.422 1.00 0.00 O ATOM 648 CB THR A 41 -6.421 -6.678 -1.426 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.974 -6.356 -0.162 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.109 -7.393 -1.185 1.00 0.00 C ATOM 0 H THR A 41 -8.035 -4.817 -1.320 1.00 0.00 H new ATOM 0 HA THR A 41 -5.356 -4.910 -2.019 1.00 0.00 H new ATOM 0 HB THR A 41 -7.080 -7.341 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.952 -6.364 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.282 -8.273 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.682 -7.700 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.417 -6.722 -0.677 1.00 0.00 H new ATOM 658 N PHE A 42 -7.258 -6.438 -4.270 1.00 0.00 N ATOM 659 CA PHE A 42 -7.309 -6.858 -5.670 1.00 0.00 C ATOM 660 C PHE A 42 -6.816 -5.741 -6.587 1.00 0.00 C ATOM 661 O PHE A 42 -6.084 -5.985 -7.548 1.00 0.00 O ATOM 662 CB PHE A 42 -8.735 -7.255 -6.052 1.00 0.00 C ATOM 663 CG PHE A 42 -8.837 -7.895 -7.407 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.194 -9.094 -7.670 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.575 -7.299 -8.416 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.286 -9.686 -8.915 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.670 -7.885 -9.663 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.024 -9.082 -9.914 1.00 0.00 C ATOM 0 H PHE A 42 -8.096 -6.663 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.655 -7.721 -5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.124 -7.945 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.369 -6.369 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.615 -9.571 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.082 -6.365 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.781 -10.621 -9.107 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.248 -7.409 -10.441 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.096 -9.543 -10.888 1.00 0.00 H new ATOM 678 N PHE A 43 -7.216 -4.515 -6.274 1.00 0.00 N ATOM 679 CA PHE A 43 -6.811 -3.356 -7.056 1.00 0.00 C ATOM 680 C PHE A 43 -5.355 -3.000 -6.772 1.00 0.00 C ATOM 681 O PHE A 43 -4.641 -2.512 -7.649 1.00 0.00 O ATOM 682 CB PHE A 43 -7.716 -2.164 -6.736 1.00 0.00 C ATOM 683 CG PHE A 43 -7.938 -1.239 -7.900 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.161 -1.741 -9.173 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.927 0.134 -7.718 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.367 -0.890 -10.242 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.132 0.989 -8.783 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.352 0.477 -10.047 1.00 0.00 C ATOM 0 H PHE A 43 -7.822 -4.298 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.907 -3.601 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.681 -2.535 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.278 -1.599 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.174 -2.809 -9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.756 0.541 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.540 -1.293 -11.229 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.120 2.058 -8.628 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.512 1.144 -10.881 1.00 0.00 H new ATOM 698 N ALA A 44 -4.923 -3.249 -5.539 1.00 0.00 N ATOM 699 CA ALA A 44 -3.553 -2.959 -5.126 1.00 0.00 C ATOM 700 C ALA A 44 -2.569 -3.974 -5.711 1.00 0.00 C ATOM 701 O ALA A 44 -1.430 -3.636 -6.052 1.00 0.00 O ATOM 702 CB ALA A 44 -3.458 -2.936 -3.610 1.00 0.00 C ATOM 0 H ALA A 44 -5.505 -3.653 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.283 -1.976 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.432 -2.719 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.121 -2.166 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.753 -3.907 -3.212 1.00 0.00 H new ATOM 708 N GLU A 45 -3.022 -5.215 -5.840 1.00 0.00 N ATOM 709 CA GLU A 45 -2.193 -6.272 -6.397 1.00 0.00 C ATOM 710 C GLU A 45 -2.018 -6.052 -7.894 1.00 0.00 C ATOM 711 O GLU A 45 -0.923 -6.201 -8.432 1.00 0.00 O ATOM 712 CB GLU A 45 -2.823 -7.640 -6.125 1.00 0.00 C ATOM 713 CG GLU A 45 -4.245 -7.762 -6.632 1.00 0.00 C ATOM 714 CD GLU A 45 -4.786 -9.174 -6.523 1.00 0.00 C ATOM 715 OE1 GLU A 45 -5.078 -9.612 -5.391 1.00 0.00 O ATOM 716 OE2 GLU A 45 -4.917 -9.842 -7.571 1.00 0.00 O ATOM 0 H GLU A 45 -3.959 -5.512 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.213 -6.247 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.212 -8.412 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.811 -7.830 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.887 -7.087 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.284 -7.442 -7.673 1.00 0.00 H new ATOM 723 N THR A 46 -3.105 -5.668 -8.557 1.00 0.00 N ATOM 724 CA THR A 46 -3.065 -5.399 -9.987 1.00 0.00 C ATOM 725 C THR A 46 -2.054 -4.293 -10.273 1.00 0.00 C ATOM 726 O THR A 46 -1.161 -4.456 -11.102 1.00 0.00 O ATOM 727 CB THR A 46 -4.463 -5.011 -10.489 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.219 -6.168 -10.799 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.457 -4.129 -11.721 1.00 0.00 C ATOM 0 H THR A 46 -4.021 -5.537 -8.127 1.00 0.00 H new ATOM 0 HA THR A 46 -2.753 -6.298 -10.518 1.00 0.00 H new ATOM 0 HB THR A 46 -4.906 -4.444 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.108 -5.903 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.483 -3.901 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.927 -3.202 -11.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.957 -4.649 -12.538 1.00 0.00 H new ATOM 737 N VAL A 47 -2.195 -3.171 -9.572 1.00 0.00 N ATOM 738 CA VAL A 47 -1.277 -2.044 -9.748 1.00 0.00 C ATOM 739 C VAL A 47 0.164 -2.512 -9.734 1.00 0.00 C ATOM 740 O VAL A 47 0.879 -2.367 -10.721 1.00 0.00 O ATOM 741 CB VAL A 47 -1.412 -0.962 -8.660 1.00 0.00 C ATOM 742 CG1 VAL A 47 -2.090 0.264 -9.207 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.129 -1.461 -7.424 1.00 0.00 C ATOM 0 H VAL A 47 -2.929 -3.016 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.549 -1.611 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.399 -0.700 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.174 1.014 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.503 0.667 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.085 0.000 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.195 -0.656 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.133 -1.790 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.576 -2.297 -6.995 1.00 0.00 H new ATOM 753 N ALA A 48 0.589 -3.082 -8.611 1.00 0.00 N ATOM 754 CA ALA A 48 1.952 -3.572 -8.504 1.00 0.00 C ATOM 755 C ALA A 48 2.267 -4.470 -9.695 1.00 0.00 C ATOM 756 O ALA A 48 3.406 -4.537 -10.157 1.00 0.00 O ATOM 757 CB ALA A 48 2.161 -4.289 -7.181 1.00 0.00 C ATOM 0 H ALA A 48 0.017 -3.213 -7.776 1.00 0.00 H new ATOM 0 HA ALA A 48 2.644 -2.730 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.188 -4.649 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.969 -3.599 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.476 -5.134 -7.113 1.00 0.00 H new ATOM 763 N SER A 49 1.229 -5.131 -10.213 1.00 0.00 N ATOM 764 CA SER A 49 1.370 -5.991 -11.376 1.00 0.00 C ATOM 765 C SER A 49 1.538 -5.132 -12.630 1.00 0.00 C ATOM 766 O SER A 49 2.305 -5.471 -13.531 1.00 0.00 O ATOM 767 CB SER A 49 0.151 -6.909 -11.511 1.00 0.00 C ATOM 768 OG SER A 49 -0.302 -6.983 -12.853 1.00 0.00 O ATOM 0 H SER A 49 0.281 -5.083 -9.839 1.00 0.00 H new ATOM 0 HA SER A 49 2.254 -6.617 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.406 -7.908 -11.157 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.654 -6.541 -10.875 1.00 0.00 H new ATOM 0 HG SER A 49 -1.079 -7.578 -12.904 1.00 0.00 H new ATOM 774 N ARG A 50 0.824 -4.005 -12.664 1.00 0.00 N ATOM 775 CA ARG A 50 0.902 -3.079 -13.791 1.00 0.00 C ATOM 776 C ARG A 50 2.196 -2.294 -13.739 1.00 0.00 C ATOM 777 O ARG A 50 2.927 -2.209 -14.727 1.00 0.00 O ATOM 778 CB ARG A 50 -0.278 -2.104 -13.786 1.00 0.00 C ATOM 779 CG ARG A 50 -1.634 -2.761 -13.599 1.00 0.00 C ATOM 780 CD ARG A 50 -2.570 -1.876 -12.789 1.00 0.00 C ATOM 781 NE ARG A 50 -3.833 -1.635 -13.485 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.942 -0.897 -14.587 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.870 -0.328 -15.122 1.00 0.00 N ATOM 784 NH2 ARG A 50 -5.127 -0.730 -15.157 1.00 0.00 N ATOM 0 H ARG A 50 0.186 -3.713 -11.923 1.00 0.00 H new ATOM 0 HA ARG A 50 0.868 -3.669 -14.707 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.128 -1.375 -12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.282 -1.552 -14.726 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.078 -2.968 -14.573 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.510 -3.720 -13.095 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.770 -2.346 -11.826 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.081 -0.924 -12.584 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.680 -2.057 -13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.955 -0.455 -14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.960 0.236 -15.967 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.954 -1.167 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.211 -0.164 -16.002 1.00 0.00 H new ATOM 798 N THR A 51 2.477 -1.725 -12.578 1.00 0.00 N ATOM 799 CA THR A 51 3.684 -0.953 -12.397 1.00 0.00 C ATOM 800 C THR A 51 4.896 -1.860 -12.546 1.00 0.00 C ATOM 801 O THR A 51 5.187 -2.675 -11.670 1.00 0.00 O ATOM 802 CB THR A 51 3.670 -0.288 -11.021 1.00 0.00 C ATOM 803 OG1 THR A 51 2.441 0.385 -10.818 1.00 0.00 O ATOM 804 CG2 THR A 51 4.781 0.720 -10.822 1.00 0.00 C ATOM 0 H THR A 51 1.883 -1.786 -11.751 1.00 0.00 H new ATOM 0 HA THR A 51 3.738 -0.173 -13.156 1.00 0.00 H new ATOM 0 HB THR A 51 3.813 -1.097 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.883 -0.133 -10.201 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.707 1.150 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.746 0.225 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.692 1.512 -11.566 1.00 0.00 H new ATOM 812 N GLY A 52 5.592 -1.721 -13.665 1.00 0.00 N ATOM 813 CA GLY A 52 6.760 -2.542 -13.923 1.00 0.00 C ATOM 814 C GLY A 52 8.000 -2.060 -13.194 1.00 0.00 C ATOM 815 O GLY A 52 9.096 -2.068 -13.754 1.00 0.00 O ATOM 0 H GLY A 52 5.369 -1.052 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.547 -3.569 -13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.958 -2.555 -14.995 1.00 0.00 H new ATOM 819 N ALA A 53 7.832 -1.644 -11.942 1.00 0.00 N ATOM 820 CA ALA A 53 8.952 -1.163 -11.142 1.00 0.00 C ATOM 821 C ALA A 53 9.661 0.001 -11.824 1.00 0.00 C ATOM 822 O ALA A 53 9.465 0.250 -13.014 1.00 0.00 O ATOM 823 CB ALA A 53 9.932 -2.295 -10.874 1.00 0.00 C ATOM 0 H ALA A 53 6.933 -1.631 -11.461 1.00 0.00 H new ATOM 0 HA ALA A 53 8.557 -0.803 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.764 -1.922 -10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.425 -3.094 -10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.310 -2.681 -11.821 1.00 0.00 H new ATOM 829 N GLY A 54 10.485 0.713 -11.064 1.00 0.00 N ATOM 830 CA GLY A 54 11.208 1.842 -11.611 1.00 0.00 C ATOM 831 C GLY A 54 10.322 3.054 -11.814 1.00 0.00 C ATOM 832 O GLY A 54 10.685 3.982 -12.537 1.00 0.00 O ATOM 0 H GLY A 54 10.664 0.527 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.028 2.103 -10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.653 1.557 -12.564 1.00 0.00 H new ATOM 836 N GLU A 55 9.156 3.049 -11.174 1.00 0.00 N ATOM 837 CA GLU A 55 8.220 4.158 -11.291 1.00 0.00 C ATOM 838 C GLU A 55 7.063 4.004 -10.310 1.00 0.00 C ATOM 839 O GLU A 55 7.046 3.086 -9.490 1.00 0.00 O ATOM 840 CB GLU A 55 7.685 4.251 -12.721 1.00 0.00 C ATOM 841 CG GLU A 55 6.904 3.023 -13.159 1.00 0.00 C ATOM 842 CD GLU A 55 5.865 3.341 -14.218 1.00 0.00 C ATOM 843 OE1 GLU A 55 5.320 4.464 -14.195 1.00 0.00 O ATOM 844 OE2 GLU A 55 5.599 2.467 -15.070 1.00 0.00 O ATOM 0 H GLU A 55 8.839 2.290 -10.571 1.00 0.00 H new ATOM 0 HA GLU A 55 8.754 5.077 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.043 5.128 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.521 4.402 -13.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.596 2.276 -13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.411 2.582 -12.293 1.00 0.00 H new ATOM 851 N ARG A 56 6.097 4.911 -10.402 1.00 0.00 N ATOM 852 CA ARG A 56 4.931 4.884 -9.525 1.00 0.00 C ATOM 853 C ARG A 56 3.646 5.037 -10.330 1.00 0.00 C ATOM 854 O ARG A 56 3.673 5.461 -11.485 1.00 0.00 O ATOM 855 CB ARG A 56 5.025 5.998 -8.478 1.00 0.00 C ATOM 856 CG ARG A 56 5.598 7.299 -9.019 1.00 0.00 C ATOM 857 CD ARG A 56 5.007 8.507 -8.309 1.00 0.00 C ATOM 858 NE ARG A 56 4.065 9.234 -9.157 1.00 0.00 N ATOM 859 CZ ARG A 56 4.430 10.102 -10.097 1.00 0.00 C ATOM 860 NH1 ARG A 56 5.715 10.350 -10.320 1.00 0.00 N ATOM 861 NH2 ARG A 56 3.508 10.724 -10.820 1.00 0.00 N ATOM 0 H ARG A 56 6.098 5.676 -11.077 1.00 0.00 H new ATOM 0 HA ARG A 56 4.911 3.920 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.031 6.189 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.645 5.655 -7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.681 7.299 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.397 7.370 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.500 8.181 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.811 9.177 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 56 3.068 9.066 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.429 9.874 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.988 11.017 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.519 10.537 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.788 11.389 -11.541 1.00 0.00 H new ATOM 875 N GLN A 57 2.518 4.699 -9.711 1.00 0.00 N ATOM 876 CA GLN A 57 1.225 4.811 -10.377 1.00 0.00 C ATOM 877 C GLN A 57 0.197 5.470 -9.473 1.00 0.00 C ATOM 878 O GLN A 57 0.442 5.707 -8.292 1.00 0.00 O ATOM 879 CB GLN A 57 0.699 3.432 -10.812 1.00 0.00 C ATOM 880 CG GLN A 57 1.347 2.908 -12.084 1.00 0.00 C ATOM 881 CD GLN A 57 0.752 3.520 -13.336 1.00 0.00 C ATOM 882 OE1 GLN A 57 -0.325 4.116 -13.299 1.00 0.00 O ATOM 883 NE2 GLN A 57 1.452 3.375 -14.456 1.00 0.00 N ATOM 0 H GLN A 57 2.473 4.347 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 57 1.377 5.431 -11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.868 2.717 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.379 3.494 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.416 3.117 -12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.235 1.825 -12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.340 2.874 -14.441 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.101 3.765 -15.331 1.00 0.00 H new ATOM 892 N SER A 58 -0.964 5.736 -10.041 1.00 0.00 N ATOM 893 CA SER A 58 -2.066 6.327 -9.323 1.00 0.00 C ATOM 894 C SER A 58 -3.353 5.902 -10.012 1.00 0.00 C ATOM 895 O SER A 58 -3.698 6.414 -11.077 1.00 0.00 O ATOM 896 CB SER A 58 -1.948 7.852 -9.288 1.00 0.00 C ATOM 897 OG SER A 58 -2.035 8.400 -10.592 1.00 0.00 O ATOM 0 H SER A 58 -1.166 5.545 -11.022 1.00 0.00 H new ATOM 0 HA SER A 58 -2.060 5.984 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.738 8.267 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.999 8.136 -8.833 1.00 0.00 H new ATOM 0 HG SER A 58 -2.579 7.813 -11.158 1.00 0.00 H new ATOM 903 N ILE A 59 -4.034 4.938 -9.421 1.00 0.00 N ATOM 904 CA ILE A 59 -5.265 4.407 -10.001 1.00 0.00 C ATOM 905 C ILE A 59 -6.468 5.246 -9.602 1.00 0.00 C ATOM 906 O ILE A 59 -6.958 5.155 -8.479 1.00 0.00 O ATOM 907 CB ILE A 59 -5.508 2.932 -9.596 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.314 2.370 -8.830 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.771 2.075 -10.823 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.620 1.089 -8.104 1.00 0.00 C ATOM 0 H ILE A 59 -3.760 4.503 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.141 4.450 -11.083 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.384 2.909 -8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.494 2.197 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.970 3.114 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.939 1.043 -10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.653 2.447 -11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.910 2.120 -11.490 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.728 0.745 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.419 1.261 -7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.935 0.331 -8.821 1.00 0.00 H new ATOM 922 N GLU A 60 -6.938 6.056 -10.539 1.00 0.00 N ATOM 923 CA GLU A 60 -8.085 6.921 -10.302 1.00 0.00 C ATOM 924 C GLU A 60 -9.392 6.194 -10.600 1.00 0.00 C ATOM 925 O GLU A 60 -9.643 5.784 -11.733 1.00 0.00 O ATOM 926 CB GLU A 60 -7.983 8.184 -11.160 1.00 0.00 C ATOM 927 CG GLU A 60 -7.398 9.376 -10.422 1.00 0.00 C ATOM 928 CD GLU A 60 -7.117 10.550 -11.341 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.008 10.604 -11.914 1.00 0.00 O ATOM 930 OE2 GLU A 60 -8.006 11.414 -11.489 1.00 0.00 O ATOM 0 H GLU A 60 -6.541 6.133 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.082 7.202 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.367 7.971 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.976 8.446 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.089 9.689 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.473 9.076 -9.929 1.00 0.00 H new ATOM 937 N GLU A 61 -10.219 6.046 -9.575 1.00 0.00 N ATOM 938 CA GLU A 61 -11.506 5.379 -9.716 1.00 0.00 C ATOM 939 C GLU A 61 -12.639 6.329 -9.348 1.00 0.00 C ATOM 940 O GLU A 61 -12.396 7.437 -8.872 1.00 0.00 O ATOM 941 CB GLU A 61 -11.557 4.130 -8.832 1.00 0.00 C ATOM 942 CG GLU A 61 -11.187 2.851 -9.564 1.00 0.00 C ATOM 943 CD GLU A 61 -12.396 2.133 -10.134 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.520 2.398 -9.659 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.218 1.308 -11.054 1.00 0.00 O ATOM 0 H GLU A 61 -10.021 6.381 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.627 5.077 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.880 4.264 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.561 4.026 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.495 3.087 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.662 2.184 -8.880 1.00 0.00 H new ATOM 952 N GLY A 62 -13.877 5.891 -9.572 1.00 0.00 N ATOM 953 CA GLY A 62 -15.032 6.719 -9.256 1.00 0.00 C ATOM 954 C GLY A 62 -14.898 7.428 -7.919 1.00 0.00 C ATOM 955 O GLY A 62 -15.446 8.513 -7.725 1.00 0.00 O ATOM 0 H GLY A 62 -14.101 4.978 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.169 7.460 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.927 6.097 -9.245 1.00 0.00 H new ATOM 959 N ASN A 63 -14.162 6.812 -6.999 1.00 0.00 N ATOM 960 CA ASN A 63 -13.949 7.387 -5.676 1.00 0.00 C ATOM 961 C ASN A 63 -12.793 6.687 -4.965 1.00 0.00 C ATOM 962 O ASN A 63 -12.901 6.322 -3.795 1.00 0.00 O ATOM 963 CB ASN A 63 -15.224 7.278 -4.839 1.00 0.00 C ATOM 964 CG ASN A 63 -15.514 8.547 -4.062 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.341 8.597 -2.843 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.960 9.583 -4.764 1.00 0.00 N ATOM 0 H ASN A 63 -13.703 5.913 -7.146 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.695 8.440 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.067 7.055 -5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.129 6.443 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.173 10.463 -4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.089 9.498 -5.772 1.00 0.00 H new ATOM 973 N TYR A 64 -11.688 6.497 -5.683 1.00 0.00 N ATOM 974 CA TYR A 64 -10.516 5.837 -5.117 1.00 0.00 C ATOM 975 C TYR A 64 -9.252 6.156 -5.915 1.00 0.00 C ATOM 976 O TYR A 64 -9.298 6.335 -7.132 1.00 0.00 O ATOM 977 CB TYR A 64 -10.725 4.319 -5.090 1.00 0.00 C ATOM 978 CG TYR A 64 -11.755 3.847 -4.086 1.00 0.00 C ATOM 979 CD1 TYR A 64 -11.526 3.958 -2.719 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.951 3.280 -4.506 1.00 0.00 C ATOM 981 CE1 TYR A 64 -12.461 3.516 -1.802 1.00 0.00 C ATOM 982 CE2 TYR A 64 -13.892 2.837 -3.594 1.00 0.00 C ATOM 983 CZ TYR A 64 -13.641 2.958 -2.244 1.00 0.00 C ATOM 984 OH TYR A 64 -14.574 2.518 -1.333 1.00 0.00 O ATOM 0 H TYR A 64 -11.581 6.790 -6.654 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.388 6.212 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.026 3.988 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.773 3.837 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.603 4.396 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.150 3.183 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -12.268 3.608 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.818 2.399 -3.938 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.190 2.548 -0.432 1.00 0.00 H new ATOM 994 N ILE A 65 -8.121 6.192 -5.217 1.00 0.00 N ATOM 995 CA ILE A 65 -6.826 6.452 -5.840 1.00 0.00 C ATOM 996 C ILE A 65 -5.797 5.462 -5.323 1.00 0.00 C ATOM 997 O ILE A 65 -5.480 5.464 -4.139 1.00 0.00 O ATOM 998 CB ILE A 65 -6.297 7.876 -5.556 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.892 8.882 -6.546 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.767 7.895 -5.634 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -6.015 10.096 -6.766 1.00 0.00 C ATOM 0 H ILE A 65 -8.075 6.043 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.976 6.349 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.603 8.164 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.059 8.385 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.866 9.207 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.405 8.903 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.356 7.207 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.450 7.588 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.495 10.768 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.868 10.615 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.049 9.780 -7.160 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.263 4.632 -6.204 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.266 3.676 -5.776 1.00 0.00 C ATOM 1015 C GLY A 66 -2.860 4.177 -5.982 1.00 0.00 C ATOM 1016 O GLY A 66 -2.246 3.922 -7.019 1.00 0.00 O ATOM 0 H GLY A 66 -5.498 4.602 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.416 3.447 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.401 2.745 -6.326 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.339 4.886 -4.986 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.991 5.407 -5.066 1.00 0.00 C ATOM 1022 C HIS A 67 0.007 4.255 -5.076 1.00 0.00 C ATOM 1023 O HIS A 67 0.147 3.543 -4.091 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.685 6.331 -3.889 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.466 7.603 -3.894 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.439 8.506 -4.935 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.295 8.123 -2.965 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.220 9.531 -4.643 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.753 9.323 -3.452 1.00 0.00 N ATOM 0 H HIS A 67 -2.831 5.109 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.905 5.982 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.886 5.797 -2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.378 6.570 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.551 7.678 -2.015 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.393 10.392 -5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.399 9.951 -2.973 1.00 0.00 H new ATOM 1038 N VAL A 68 0.692 4.072 -6.188 1.00 0.00 N ATOM 1039 CA VAL A 68 1.662 2.999 -6.323 1.00 0.00 C ATOM 1040 C VAL A 68 3.077 3.544 -6.218 1.00 0.00 C ATOM 1041 O VAL A 68 3.374 4.627 -6.721 1.00 0.00 O ATOM 1042 CB VAL A 68 1.483 2.304 -7.688 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.794 1.786 -8.244 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.483 1.172 -7.622 1.00 0.00 C ATOM 0 H VAL A 68 0.594 4.657 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 68 1.498 2.281 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 68 1.100 3.071 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.617 1.305 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.487 2.617 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.223 1.063 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.389 0.712 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.824 0.427 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.486 1.560 -7.309 1.00 0.00 H new ATOM 1054 N TYR A 69 3.950 2.779 -5.582 1.00 0.00 N ATOM 1055 CA TYR A 69 5.336 3.181 -5.438 1.00 0.00 C ATOM 1056 C TYR A 69 6.253 1.967 -5.507 1.00 0.00 C ATOM 1057 O TYR A 69 6.248 1.122 -4.612 1.00 0.00 O ATOM 1058 CB TYR A 69 5.545 3.920 -4.119 1.00 0.00 C ATOM 1059 CG TYR A 69 4.678 5.145 -3.969 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.733 6.178 -4.895 1.00 0.00 C ATOM 1061 CD2 TYR A 69 3.805 5.268 -2.899 1.00 0.00 C ATOM 1062 CE1 TYR A 69 3.941 7.301 -4.756 1.00 0.00 C ATOM 1063 CE2 TYR A 69 3.010 6.386 -2.751 1.00 0.00 C ATOM 1064 CZ TYR A 69 3.082 7.401 -3.682 1.00 0.00 C ATOM 1065 OH TYR A 69 2.293 8.517 -3.538 1.00 0.00 O ATOM 0 H TYR A 69 3.722 1.879 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 69 5.583 3.854 -6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.341 3.238 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.592 4.214 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.405 6.102 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.746 4.475 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.994 8.096 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.336 6.466 -1.911 1.00 0.00 H new ATOM 0 HH TYR A 69 2.802 9.222 -3.086 1.00 0.00 H new ATOM 1075 N ALA A 70 7.035 1.883 -6.575 1.00 0.00 N ATOM 1076 CA ALA A 70 7.951 0.764 -6.759 1.00 0.00 C ATOM 1077 C ALA A 70 9.404 1.211 -6.644 1.00 0.00 C ATOM 1078 O ALA A 70 9.735 2.363 -6.926 1.00 0.00 O ATOM 1079 CB ALA A 70 7.706 0.102 -8.105 1.00 0.00 C ATOM 0 H ALA A 70 7.054 2.574 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 70 7.762 0.040 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.396 -0.732 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.681 -0.265 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.865 0.828 -8.902 1.00 0.00 H new ATOM 1085 N ARG A 71 10.268 0.290 -6.228 1.00 0.00 N ATOM 1086 CA ARG A 71 11.686 0.584 -6.076 1.00 0.00 C ATOM 1087 C ARG A 71 12.522 -0.353 -6.941 1.00 0.00 C ATOM 1088 O ARG A 71 12.038 -1.391 -7.392 1.00 0.00 O ATOM 1089 CB ARG A 71 12.098 0.447 -4.608 1.00 0.00 C ATOM 1090 CG ARG A 71 13.246 1.357 -4.201 1.00 0.00 C ATOM 1091 CD ARG A 71 12.812 2.814 -4.135 1.00 0.00 C ATOM 1092 NE ARG A 71 13.397 3.609 -5.212 1.00 0.00 N ATOM 1093 CZ ARG A 71 13.548 4.931 -5.161 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.156 5.613 -4.093 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.094 5.574 -6.185 1.00 0.00 N ATOM 0 H ARG A 71 10.009 -0.667 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 71 11.863 1.609 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.236 0.663 -3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.382 -0.588 -4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.629 1.047 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.064 1.253 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.725 2.871 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.104 3.236 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 71 13.708 3.123 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.735 5.125 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.275 6.626 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.397 5.056 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.210 6.587 -6.148 1.00 0.00 H new ATOM 1109 N SER A 72 13.778 0.015 -7.169 1.00 0.00 N ATOM 1110 CA SER A 72 14.678 -0.800 -7.978 1.00 0.00 C ATOM 1111 C SER A 72 15.382 -1.850 -7.121 1.00 0.00 C ATOM 1112 O SER A 72 16.572 -2.112 -7.296 1.00 0.00 O ATOM 1113 CB SER A 72 15.712 0.085 -8.676 1.00 0.00 C ATOM 1114 OG SER A 72 16.049 -0.431 -9.952 1.00 0.00 O ATOM 0 H SER A 72 14.196 0.871 -6.806 1.00 0.00 H new ATOM 0 HA SER A 72 14.083 -1.315 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.318 1.096 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.609 0.156 -8.061 1.00 0.00 H new ATOM 0 HG SER A 72 16.710 0.154 -10.377 1.00 0.00 H new ATOM 1120 N GLU A 73 14.638 -2.448 -6.192 1.00 0.00 N ATOM 1121 CA GLU A 73 15.190 -3.465 -5.308 1.00 0.00 C ATOM 1122 C GLU A 73 14.748 -4.860 -5.742 1.00 0.00 C ATOM 1123 O GLU A 73 15.575 -5.755 -5.916 1.00 0.00 O ATOM 1124 CB GLU A 73 14.758 -3.198 -3.865 1.00 0.00 C ATOM 1125 CG GLU A 73 15.911 -2.850 -2.939 1.00 0.00 C ATOM 1126 CD GLU A 73 16.504 -1.486 -3.235 1.00 0.00 C ATOM 1127 OE1 GLU A 73 16.000 -0.487 -2.679 1.00 0.00 O ATOM 1128 OE2 GLU A 73 17.472 -1.417 -4.022 1.00 0.00 O ATOM 0 H GLU A 73 13.651 -2.243 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 73 16.277 -3.418 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.036 -2.381 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.246 -4.080 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.563 -2.875 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.689 -3.608 -3.032 1.00 0.00 H new ATOM 1135 N GLY A 74 13.442 -5.038 -5.919 1.00 0.00 N ATOM 1136 CA GLY A 74 12.925 -6.329 -6.334 1.00 0.00 C ATOM 1137 C GLY A 74 11.471 -6.540 -5.954 1.00 0.00 C ATOM 1138 O GLY A 74 10.786 -7.370 -6.552 1.00 0.00 O ATOM 0 H GLY A 74 12.736 -4.315 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.029 -6.425 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.529 -7.117 -5.885 1.00 0.00 H new ATOM 1142 N ILE A 75 10.992 -5.795 -4.960 1.00 0.00 N ATOM 1143 CA ILE A 75 9.607 -5.923 -4.516 1.00 0.00 C ATOM 1144 C ILE A 75 8.986 -4.541 -4.295 1.00 0.00 C ATOM 1145 O ILE A 75 9.420 -3.778 -3.432 1.00 0.00 O ATOM 1146 CB ILE A 75 9.490 -6.828 -3.247 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.333 -6.021 -1.953 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.700 -7.751 -3.133 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.588 -5.286 -1.528 1.00 0.00 C ATOM 0 H ILE A 75 11.539 -5.101 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 75 9.041 -6.420 -5.304 1.00 0.00 H new ATOM 0 HB ILE A 75 8.584 -7.421 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.528 -5.298 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.030 -6.695 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.600 -8.373 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.757 -8.387 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.608 -7.153 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.395 -4.740 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.392 -6.004 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.882 -4.585 -2.310 1.00 0.00 H new ATOM 1161 N CYS A 76 7.984 -4.218 -5.111 1.00 0.00 N ATOM 1162 CA CYS A 76 7.315 -2.921 -5.038 1.00 0.00 C ATOM 1163 C CYS A 76 6.187 -2.917 -4.013 1.00 0.00 C ATOM 1164 O CYS A 76 5.854 -3.947 -3.433 1.00 0.00 O ATOM 1165 CB CYS A 76 6.767 -2.530 -6.413 1.00 0.00 C ATOM 1166 SG CYS A 76 5.464 -3.623 -7.028 1.00 0.00 S ATOM 0 H CYS A 76 7.617 -4.839 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 76 8.058 -2.190 -4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.379 -1.513 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.588 -2.522 -7.130 1.00 0.00 H new ATOM 0 HG CYS A 76 5.258 -4.578 -6.171 1.00 0.00 H new ATOM 1172 N GLY A 77 5.602 -1.742 -3.805 1.00 0.00 N ATOM 1173 CA GLY A 77 4.511 -1.604 -2.860 1.00 0.00 C ATOM 1174 C GLY A 77 3.374 -0.791 -3.434 1.00 0.00 C ATOM 1175 O GLY A 77 3.549 -0.112 -4.446 1.00 0.00 O ATOM 0 H GLY A 77 5.867 -0.878 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.146 -2.592 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.876 -1.128 -1.950 1.00 0.00 H new ATOM 1179 N VAL A 78 2.202 -0.849 -2.804 1.00 0.00 N ATOM 1180 CA VAL A 78 1.067 -0.094 -3.307 1.00 0.00 C ATOM 1181 C VAL A 78 0.280 0.592 -2.190 1.00 0.00 C ATOM 1182 O VAL A 78 0.250 0.133 -1.049 1.00 0.00 O ATOM 1183 CB VAL A 78 0.110 -0.982 -4.140 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.234 -0.299 -4.370 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.755 -1.364 -5.462 1.00 0.00 C ATOM 0 H VAL A 78 2.020 -1.399 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 78 1.488 0.677 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.080 -1.891 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.878 -0.953 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.706 -0.092 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.079 0.637 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.069 -1.988 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.984 -0.462 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.675 -1.917 -5.272 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.372 1.693 -2.558 1.00 0.00 N ATOM 1196 CA LEU A 79 -1.195 2.472 -1.631 1.00 0.00 C ATOM 1197 C LEU A 79 -2.516 2.845 -2.296 1.00 0.00 C ATOM 1198 O LEU A 79 -2.584 2.956 -3.518 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.473 3.752 -1.198 1.00 0.00 C ATOM 1200 CG LEU A 79 0.707 3.558 -0.250 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.976 3.281 -1.038 1.00 0.00 C ATOM 1202 CD2 LEU A 79 0.882 4.789 0.629 1.00 0.00 C ATOM 0 H LEU A 79 -0.346 2.071 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.382 1.858 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.117 4.266 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.197 4.411 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 79 0.505 2.700 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.810 3.145 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.845 2.377 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.185 4.122 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.727 4.639 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.068 5.661 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.023 4.950 1.214 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.564 3.052 -1.502 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.858 3.433 -2.064 1.00 0.00 C ATOM 1216 C ILE A 80 -5.653 4.322 -1.111 1.00 0.00 C ATOM 1217 O ILE A 80 -6.013 3.908 -0.009 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.726 2.214 -2.465 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.959 0.903 -2.292 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -6.197 2.363 -3.904 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.702 -0.306 -2.822 1.00 0.00 C ATOM 0 H ILE A 80 -3.545 2.965 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.622 3.994 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.592 2.183 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.999 0.983 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.745 0.753 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.807 1.502 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.790 3.273 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.333 2.421 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.099 -1.201 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.650 -0.411 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.892 -0.178 -3.888 1.00 0.00 H new ATOM 1233 N THR A 81 -5.929 5.546 -1.557 1.00 0.00 N ATOM 1234 CA THR A 81 -6.689 6.506 -0.766 1.00 0.00 C ATOM 1235 C THR A 81 -7.648 7.298 -1.651 1.00 0.00 C ATOM 1236 O THR A 81 -7.795 7.006 -2.835 1.00 0.00 O ATOM 1237 CB THR A 81 -5.751 7.453 -0.014 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.451 8.586 0.464 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.600 7.948 -0.851 1.00 0.00 C ATOM 0 H THR A 81 -5.634 5.896 -2.469 1.00 0.00 H new ATOM 0 HA THR A 81 -7.276 5.951 -0.034 1.00 0.00 H new ATOM 0 HB THR A 81 -5.352 6.860 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.959 8.983 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.976 8.614 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.005 7.100 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.985 8.489 -1.716 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.307 8.294 -1.070 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.259 9.115 -1.803 1.00 0.00 C ATOM 1249 C ASP A 82 -8.547 10.208 -2.591 1.00 0.00 C ATOM 1250 O ASP A 82 -7.430 10.602 -2.253 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.263 9.739 -0.833 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.332 10.546 -1.545 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.099 11.747 -1.800 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.402 9.977 -1.848 1.00 0.00 O ATOM 0 H ASP A 82 -8.198 8.552 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.788 8.476 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.737 8.951 -0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.733 10.383 -0.131 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.201 10.700 -3.639 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.629 11.755 -4.470 1.00 0.00 C ATOM 1261 C LYS A 83 -8.194 12.938 -3.609 1.00 0.00 C ATOM 1262 O LYS A 83 -7.284 13.683 -3.973 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.641 12.214 -5.521 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.002 12.860 -6.740 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.230 12.034 -7.995 1.00 0.00 C ATOM 1266 CE LYS A 83 -10.490 12.470 -8.728 1.00 0.00 C ATOM 1267 NZ LYS A 83 -10.184 13.384 -9.863 1.00 0.00 N ATOM 0 H LYS A 83 -10.126 10.386 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.753 11.353 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.232 11.357 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.331 12.924 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.415 13.859 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.932 12.978 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.370 12.132 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.309 10.980 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.015 11.591 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.161 12.970 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.061 13.604 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.767 14.264 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.510 12.923 -10.508 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.841 13.094 -2.455 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.514 14.173 -1.530 1.00 0.00 C ATOM 1283 C GLN A 84 -7.439 13.717 -0.548 1.00 0.00 C ATOM 1284 O GLN A 84 -7.529 13.961 0.655 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.764 14.622 -0.771 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.532 15.733 -1.469 1.00 0.00 C ATOM 1287 CD GLN A 84 -12.012 15.432 -1.597 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -12.854 16.167 -1.081 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.337 14.345 -2.287 1.00 0.00 N ATOM 0 H GLN A 84 -9.596 12.485 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.132 15.018 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.424 13.765 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.473 14.961 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.401 16.663 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.111 15.892 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.606 13.764 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.318 14.091 -2.406 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.423 13.052 -1.082 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.317 12.546 -0.295 1.00 0.00 C ATOM 1300 C TYR A 85 -4.031 12.718 -1.091 1.00 0.00 C ATOM 1301 O TYR A 85 -3.660 11.856 -1.887 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.555 11.074 0.037 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.501 10.449 0.925 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -3.202 10.252 0.473 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.813 10.043 2.217 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -2.248 9.669 1.280 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.861 9.461 3.031 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.580 9.276 2.556 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.627 8.694 3.355 1.00 0.00 O ATOM 0 H TYR A 85 -6.347 12.850 -2.079 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.235 13.099 0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.525 10.978 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.608 10.509 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.935 10.561 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.816 10.185 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.244 9.521 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.118 9.153 4.034 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.864 8.417 2.806 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.353 13.860 -0.912 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.120 14.173 -1.630 1.00 0.00 C ATOM 1321 C PRO A 86 -1.183 12.976 -1.785 1.00 0.00 C ATOM 1322 O PRO A 86 -1.071 12.136 -0.892 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.493 15.240 -0.747 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.653 15.973 -0.170 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.753 14.957 -0.007 1.00 0.00 C ATOM 0 HA PRO A 86 -2.312 14.486 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.875 14.797 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.850 15.905 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.392 16.422 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.967 16.784 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.833 14.616 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.723 15.370 -0.283 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.520 12.915 -2.935 1.00 0.00 N ATOM 1334 CA VAL A 87 0.413 11.836 -3.244 1.00 0.00 C ATOM 1335 C VAL A 87 1.760 12.039 -2.550 1.00 0.00 C ATOM 1336 O VAL A 87 2.455 11.072 -2.238 1.00 0.00 O ATOM 1337 CB VAL A 87 0.642 11.738 -4.767 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.164 13.058 -5.316 1.00 0.00 C ATOM 1339 CG2 VAL A 87 1.595 10.601 -5.106 1.00 0.00 C ATOM 0 H VAL A 87 -0.613 13.609 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.033 10.912 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.317 11.523 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.319 12.969 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.438 13.847 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.109 13.305 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.738 10.556 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.555 10.774 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.176 9.658 -4.756 1.00 0.00 H new ATOM 1349 N ARG A 88 2.133 13.295 -2.325 1.00 0.00 N ATOM 1350 CA ARG A 88 3.409 13.607 -1.686 1.00 0.00 C ATOM 1351 C ARG A 88 3.561 12.867 -0.359 1.00 0.00 C ATOM 1352 O ARG A 88 4.543 12.152 -0.158 1.00 0.00 O ATOM 1353 CB ARG A 88 3.564 15.115 -1.484 1.00 0.00 C ATOM 1354 CG ARG A 88 3.228 15.919 -2.727 1.00 0.00 C ATOM 1355 CD ARG A 88 4.479 16.462 -3.398 1.00 0.00 C ATOM 1356 NE ARG A 88 5.063 15.499 -4.328 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.480 15.116 -5.461 1.00 0.00 C ATOM 1358 NH1 ARG A 88 3.297 15.608 -5.807 1.00 0.00 N ATOM 1359 NH2 ARG A 88 5.081 14.236 -6.251 1.00 0.00 N ATOM 0 H ARG A 88 1.573 14.111 -2.574 1.00 0.00 H new ATOM 0 HA ARG A 88 4.203 13.267 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.918 15.434 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.589 15.332 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.681 15.291 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.570 16.746 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.234 17.380 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.214 16.723 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 88 5.971 15.097 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.829 16.284 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.855 15.310 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.990 13.853 -5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.634 13.942 -7.120 1.00 0.00 H new ATOM 1373 N PRO A 89 2.590 12.999 0.561 1.00 0.00 N ATOM 1374 CA PRO A 89 2.648 12.302 1.844 1.00 0.00 C ATOM 1375 C PRO A 89 2.659 10.802 1.630 1.00 0.00 C ATOM 1376 O PRO A 89 3.312 10.061 2.365 1.00 0.00 O ATOM 1377 CB PRO A 89 1.375 12.745 2.576 1.00 0.00 C ATOM 1378 CG PRO A 89 0.908 13.962 1.848 1.00 0.00 C ATOM 1379 CD PRO A 89 1.362 13.797 0.425 1.00 0.00 C ATOM 0 HA PRO A 89 3.549 12.536 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.618 11.961 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.580 12.967 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.177 14.056 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.329 14.865 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.614 13.286 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.556 14.758 -0.051 1.00 0.00 H new ATOM 1387 N ALA A 90 1.970 10.363 0.582 1.00 0.00 N ATOM 1388 CA ALA A 90 1.949 8.956 0.238 1.00 0.00 C ATOM 1389 C ALA A 90 3.352 8.550 -0.169 1.00 0.00 C ATOM 1390 O ALA A 90 3.778 7.416 0.051 1.00 0.00 O ATOM 1391 CB ALA A 90 0.953 8.685 -0.880 1.00 0.00 C ATOM 0 H ALA A 90 1.423 10.961 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 90 1.629 8.366 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.956 7.622 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.045 8.982 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.234 9.257 -1.764 1.00 0.00 H new ATOM 1397 N TYR A 91 4.086 9.516 -0.726 1.00 0.00 N ATOM 1398 CA TYR A 91 5.461 9.286 -1.116 1.00 0.00 C ATOM 1399 C TYR A 91 6.281 9.038 0.139 1.00 0.00 C ATOM 1400 O TYR A 91 7.120 8.137 0.187 1.00 0.00 O ATOM 1401 CB TYR A 91 6.014 10.486 -1.889 1.00 0.00 C ATOM 1402 CG TYR A 91 7.147 10.134 -2.826 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.446 9.997 -2.354 1.00 0.00 C ATOM 1404 CD2 TYR A 91 6.917 9.939 -4.181 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.485 9.677 -3.207 1.00 0.00 C ATOM 1406 CE2 TYR A 91 7.951 9.618 -5.042 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.232 9.488 -4.550 1.00 0.00 C ATOM 1408 OH TYR A 91 10.263 9.169 -5.402 1.00 0.00 O ATOM 0 H TYR A 91 3.744 10.459 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 91 5.515 8.418 -1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.207 10.940 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.361 11.236 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.647 10.143 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.914 10.040 -4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.490 9.575 -2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.756 9.470 -6.094 1.00 0.00 H new ATOM 0 HH TYR A 91 9.916 9.069 -6.313 1.00 0.00 H new ATOM 1418 N THR A 92 5.997 9.829 1.177 1.00 0.00 N ATOM 1419 CA THR A 92 6.676 9.674 2.451 1.00 0.00 C ATOM 1420 C THR A 92 6.429 8.271 2.980 1.00 0.00 C ATOM 1421 O THR A 92 7.338 7.607 3.481 1.00 0.00 O ATOM 1422 CB THR A 92 6.165 10.701 3.457 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.147 11.999 2.888 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.991 10.763 4.722 1.00 0.00 C ATOM 0 H THR A 92 5.304 10.577 1.154 1.00 0.00 H new ATOM 0 HA THR A 92 7.745 9.833 2.307 1.00 0.00 H new ATOM 0 HB THR A 92 5.159 10.372 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.815 12.641 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.573 11.513 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.979 9.790 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.018 11.031 4.473 1.00 0.00 H new ATOM 1432 N LEU A 93 5.185 7.822 2.841 1.00 0.00 N ATOM 1433 CA LEU A 93 4.802 6.491 3.278 1.00 0.00 C ATOM 1434 C LEU A 93 5.558 5.452 2.472 1.00 0.00 C ATOM 1435 O LEU A 93 6.071 4.475 3.017 1.00 0.00 O ATOM 1436 CB LEU A 93 3.293 6.284 3.131 1.00 0.00 C ATOM 1437 CG LEU A 93 2.690 5.235 4.066 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.207 5.503 4.281 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.907 3.835 3.509 1.00 0.00 C ATOM 0 H LEU A 93 4.426 8.365 2.428 1.00 0.00 H new ATOM 0 HA LEU A 93 5.056 6.382 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.792 7.236 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.080 5.997 2.101 1.00 0.00 H new ATOM 0 HG LEU A 93 3.194 5.301 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.794 4.747 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.076 6.490 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.688 5.464 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.471 3.102 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.430 3.754 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.976 3.645 3.408 1.00 0.00 H new ATOM 1451 N LEU A 94 5.650 5.692 1.171 1.00 0.00 N ATOM 1452 CA LEU A 94 6.378 4.800 0.287 1.00 0.00 C ATOM 1453 C LEU A 94 7.855 4.787 0.674 1.00 0.00 C ATOM 1454 O LEU A 94 8.600 3.872 0.319 1.00 0.00 O ATOM 1455 CB LEU A 94 6.205 5.248 -1.171 1.00 0.00 C ATOM 1456 CG LEU A 94 7.453 5.833 -1.847 1.00 0.00 C ATOM 1457 CD1 LEU A 94 8.400 4.722 -2.278 1.00 0.00 C ATOM 1458 CD2 LEU A 94 7.059 6.694 -3.040 1.00 0.00 C ATOM 0 H LEU A 94 5.229 6.497 0.707 1.00 0.00 H new ATOM 0 HA LEU A 94 5.981 3.790 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.867 4.393 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.412 5.994 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 94 7.972 6.463 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.278 5.157 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.709 4.148 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.892 4.064 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.956 7.101 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.516 6.086 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.422 7.512 -2.704 1.00 0.00 H new ATOM 1470 N ASN A 95 8.264 5.813 1.414 1.00 0.00 N ATOM 1471 CA ASN A 95 9.648 5.936 1.852 1.00 0.00 C ATOM 1472 C ASN A 95 9.941 4.995 3.009 1.00 0.00 C ATOM 1473 O ASN A 95 10.708 4.042 2.870 1.00 0.00 O ATOM 1474 CB ASN A 95 9.949 7.377 2.261 1.00 0.00 C ATOM 1475 CG ASN A 95 11.434 7.684 2.250 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.211 7.022 1.562 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.836 8.692 3.015 1.00 0.00 N ATOM 0 H ASN A 95 7.655 6.571 1.722 1.00 0.00 H new ATOM 0 HA ASN A 95 10.291 5.661 1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.435 8.059 1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.551 7.559 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.824 8.944 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.157 9.214 3.569 1.00 0.00 H new ATOM 1484 N LYS A 96 9.327 5.269 4.153 1.00 0.00 N ATOM 1485 CA LYS A 96 9.523 4.444 5.335 1.00 0.00 C ATOM 1486 C LYS A 96 9.202 2.985 5.033 1.00 0.00 C ATOM 1487 O LYS A 96 9.932 2.084 5.444 1.00 0.00 O ATOM 1488 CB LYS A 96 8.650 4.947 6.485 1.00 0.00 C ATOM 1489 CG LYS A 96 9.113 6.274 7.065 1.00 0.00 C ATOM 1490 CD LYS A 96 10.244 6.082 8.063 1.00 0.00 C ATOM 1491 CE LYS A 96 11.017 7.372 8.282 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.491 7.961 7.000 1.00 0.00 N ATOM 0 H LYS A 96 8.691 6.055 4.286 1.00 0.00 H new ATOM 0 HA LYS A 96 10.570 4.514 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.624 5.052 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.639 4.198 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.445 6.928 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.275 6.771 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.838 5.734 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.921 5.307 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.383 8.092 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.872 7.177 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.366 8.498 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.678 7.200 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.761 8.597 6.619 1.00 0.00 H new ATOM 1506 N ILE A 97 8.105 2.758 4.317 1.00 0.00 N ATOM 1507 CA ILE A 97 7.686 1.415 3.968 1.00 0.00 C ATOM 1508 C ILE A 97 8.762 0.665 3.198 1.00 0.00 C ATOM 1509 O ILE A 97 9.182 -0.411 3.605 1.00 0.00 O ATOM 1510 CB ILE A 97 6.383 1.449 3.153 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.762 0.068 3.075 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.593 1.996 1.755 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.434 0.083 2.372 1.00 0.00 C ATOM 0 H ILE A 97 7.491 3.494 3.968 1.00 0.00 H new ATOM 0 HA ILE A 97 7.511 0.880 4.902 1.00 0.00 H new ATOM 0 HB ILE A 97 5.704 2.123 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.441 -0.605 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.634 -0.329 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.644 2.000 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.979 3.014 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.308 1.369 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.028 -0.928 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.745 0.734 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.565 0.453 1.355 1.00 0.00 H new ATOM 1525 N LEU A 98 9.204 1.233 2.086 1.00 0.00 N ATOM 1526 CA LEU A 98 10.233 0.596 1.274 1.00 0.00 C ATOM 1527 C LEU A 98 11.463 0.269 2.119 1.00 0.00 C ATOM 1528 O LEU A 98 11.916 -0.876 2.165 1.00 0.00 O ATOM 1529 CB LEU A 98 10.623 1.503 0.104 1.00 0.00 C ATOM 1530 CG LEU A 98 9.951 1.165 -1.228 1.00 0.00 C ATOM 1531 CD1 LEU A 98 10.489 -0.148 -1.774 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.441 1.095 -1.062 1.00 0.00 C ATOM 0 H LEU A 98 8.870 2.127 1.726 1.00 0.00 H new ATOM 0 HA LEU A 98 9.829 -0.336 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.380 2.533 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.704 1.455 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 98 10.181 1.956 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.001 -0.375 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.564 -0.064 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.288 -0.948 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.980 0.854 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.190 0.323 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.068 2.058 -0.713 1.00 0.00 H new ATOM 1544 N ASP A 99 11.980 1.279 2.805 1.00 0.00 N ATOM 1545 CA ASP A 99 13.144 1.108 3.666 1.00 0.00 C ATOM 1546 C ASP A 99 12.826 0.139 4.791 1.00 0.00 C ATOM 1547 O ASP A 99 13.713 -0.507 5.349 1.00 0.00 O ATOM 1548 CB ASP A 99 13.582 2.456 4.242 1.00 0.00 C ATOM 1549 CG ASP A 99 14.613 3.148 3.372 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.689 2.559 3.143 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.342 4.280 2.917 1.00 0.00 O ATOM 0 H ASP A 99 11.610 2.229 2.782 1.00 0.00 H new ATOM 0 HA ASP A 99 13.960 0.700 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.711 3.102 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.995 2.305 5.240 1.00 0.00 H new ATOM 1556 N GLU A 100 11.547 0.061 5.121 1.00 0.00 N ATOM 1557 CA GLU A 100 11.075 -0.806 6.185 1.00 0.00 C ATOM 1558 C GLU A 100 11.007 -2.262 5.735 1.00 0.00 C ATOM 1559 O GLU A 100 11.469 -3.156 6.446 1.00 0.00 O ATOM 1560 CB GLU A 100 9.708 -0.329 6.667 1.00 0.00 C ATOM 1561 CG GLU A 100 9.094 -1.208 7.748 1.00 0.00 C ATOM 1562 CD GLU A 100 10.109 -1.684 8.771 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.915 -0.854 9.240 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.096 -2.888 9.104 1.00 0.00 O ATOM 0 H GLU A 100 10.810 0.595 4.660 1.00 0.00 H new ATOM 0 HA GLU A 100 11.787 -0.755 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.803 0.687 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.028 -0.288 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.306 -0.652 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.623 -2.073 7.281 1.00 0.00 H new ATOM 1571 N TYR A 101 10.443 -2.506 4.553 1.00 0.00 N ATOM 1572 CA TYR A 101 10.347 -3.867 4.041 1.00 0.00 C ATOM 1573 C TYR A 101 11.736 -4.476 3.934 1.00 0.00 C ATOM 1574 O TYR A 101 11.916 -5.680 4.111 1.00 0.00 O ATOM 1575 CB TYR A 101 9.659 -3.916 2.678 1.00 0.00 C ATOM 1576 CG TYR A 101 9.240 -5.320 2.300 1.00 0.00 C ATOM 1577 CD1 TYR A 101 8.093 -5.890 2.840 1.00 0.00 C ATOM 1578 CD2 TYR A 101 10.002 -6.084 1.425 1.00 0.00 C ATOM 1579 CE1 TYR A 101 7.714 -7.179 2.515 1.00 0.00 C ATOM 1580 CE2 TYR A 101 9.631 -7.377 1.097 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.488 -7.919 1.644 1.00 0.00 C ATOM 1582 OH TYR A 101 8.120 -9.207 1.320 1.00 0.00 O ATOM 0 H TYR A 101 10.052 -1.789 3.942 1.00 0.00 H new ATOM 0 HA TYR A 101 9.741 -4.441 4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.782 -3.268 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.334 -3.523 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.487 -5.316 3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.898 -5.663 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.817 -7.605 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.235 -7.958 0.416 1.00 0.00 H new ATOM 0 HH TYR A 101 8.475 -9.827 1.991 1.00 0.00 H new ATOM 1592 N LEU A 102 12.719 -3.626 3.641 1.00 0.00 N ATOM 1593 CA LEU A 102 14.100 -4.074 3.509 1.00 0.00 C ATOM 1594 C LEU A 102 14.735 -4.328 4.873 1.00 0.00 C ATOM 1595 O LEU A 102 15.596 -5.196 5.012 1.00 0.00 O ATOM 1596 CB LEU A 102 14.928 -3.042 2.743 1.00 0.00 C ATOM 1597 CG LEU A 102 14.215 -2.376 1.567 1.00 0.00 C ATOM 1598 CD1 LEU A 102 14.664 -0.930 1.418 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.469 -3.151 0.287 1.00 0.00 C ATOM 0 H LEU A 102 12.583 -2.626 3.491 1.00 0.00 H new ATOM 0 HA LEU A 102 14.088 -5.012 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.247 -2.267 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.830 -3.528 2.372 1.00 0.00 H new ATOM 0 HG LEU A 102 13.143 -2.381 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.145 -0.473 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.430 -0.380 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.739 -0.899 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.954 -2.664 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.540 -3.177 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.096 -4.169 0.398 1.00 0.00 H new ATOM 1611 N VAL A 103 14.318 -3.561 5.875 1.00 0.00 N ATOM 1612 CA VAL A 103 14.867 -3.710 7.218 1.00 0.00 C ATOM 1613 C VAL A 103 14.449 -5.029 7.850 1.00 0.00 C ATOM 1614 O VAL A 103 15.285 -5.764 8.377 1.00 0.00 O ATOM 1615 CB VAL A 103 14.439 -2.558 8.147 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.576 -2.978 9.604 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.257 -1.305 7.862 1.00 0.00 C ATOM 0 H VAL A 103 13.607 -2.835 5.784 1.00 0.00 H new ATOM 0 HA VAL A 103 15.951 -3.690 7.104 1.00 0.00 H new ATOM 0 HB VAL A 103 13.392 -2.325 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.270 -2.155 10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.942 -3.844 9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.614 -3.236 9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.939 -0.503 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.314 -1.515 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.104 -0.998 6.827 1.00 0.00 H new ATOM 1627 N ALA A 104 13.154 -5.326 7.801 1.00 0.00 N ATOM 1628 CA ALA A 104 12.631 -6.563 8.376 1.00 0.00 C ATOM 1629 C ALA A 104 13.490 -7.763 7.982 1.00 0.00 C ATOM 1630 O ALA A 104 13.454 -8.805 8.635 1.00 0.00 O ATOM 1631 CB ALA A 104 11.190 -6.776 7.939 1.00 0.00 C ATOM 0 H ALA A 104 12.448 -4.729 7.370 1.00 0.00 H new ATOM 0 HA ALA A 104 12.662 -6.472 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.811 -7.701 8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.580 -5.939 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.145 -6.841 6.852 1.00 0.00 H new ATOM 1637 N HIS A 105 14.258 -7.605 6.909 1.00 0.00 N ATOM 1638 CA HIS A 105 15.122 -8.661 6.421 1.00 0.00 C ATOM 1639 C HIS A 105 15.989 -8.155 5.269 1.00 0.00 C ATOM 1640 O HIS A 105 15.475 -7.558 4.324 1.00 0.00 O ATOM 1641 CB HIS A 105 14.283 -9.852 5.955 1.00 0.00 C ATOM 1642 CG HIS A 105 13.085 -9.463 5.138 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.285 -10.382 4.494 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.552 -8.245 4.862 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.314 -9.752 3.857 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.453 -8.455 4.066 1.00 0.00 N ATOM 0 H HIS A 105 14.296 -6.746 6.360 1.00 0.00 H new ATOM 0 HA HIS A 105 15.773 -8.978 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.912 -10.520 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.950 -10.414 6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.923 -7.290 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.539 -10.218 3.266 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.842 -7.727 3.696 1.00 0.00 H new ATOM 1655 N PRO A 106 17.317 -8.383 5.334 1.00 0.00 N ATOM 1656 CA PRO A 106 18.258 -7.952 4.298 1.00 0.00 C ATOM 1657 C PRO A 106 17.671 -8.004 2.887 1.00 0.00 C ATOM 1658 O PRO A 106 16.692 -8.705 2.629 1.00 0.00 O ATOM 1659 CB PRO A 106 19.401 -8.949 4.451 1.00 0.00 C ATOM 1660 CG PRO A 106 19.417 -9.289 5.906 1.00 0.00 C ATOM 1661 CD PRO A 106 18.014 -9.078 6.432 1.00 0.00 C ATOM 0 HA PRO A 106 18.552 -6.909 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.237 -9.836 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.350 -8.515 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.733 -10.321 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.127 -8.658 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.532 -10.026 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.016 -8.481 7.344 1.00 0.00 H new ATOM 1669 N LYS A 107 18.270 -7.232 1.989 1.00 0.00 N ATOM 1670 CA LYS A 107 17.814 -7.141 0.604 1.00 0.00 C ATOM 1671 C LYS A 107 17.506 -8.501 -0.029 1.00 0.00 C ATOM 1672 O LYS A 107 16.374 -8.761 -0.436 1.00 0.00 O ATOM 1673 CB LYS A 107 18.861 -6.413 -0.239 1.00 0.00 C ATOM 1674 CG LYS A 107 18.794 -4.899 -0.121 1.00 0.00 C ATOM 1675 CD LYS A 107 19.810 -4.224 -1.028 1.00 0.00 C ATOM 1676 CE LYS A 107 20.195 -2.848 -0.507 1.00 0.00 C ATOM 1677 NZ LYS A 107 20.587 -2.888 0.929 1.00 0.00 N ATOM 0 H LYS A 107 19.083 -6.652 2.197 1.00 0.00 H new ATOM 0 HA LYS A 107 16.878 -6.583 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.854 -6.749 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.732 -6.693 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.791 -4.557 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.976 -4.605 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.701 -4.847 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.398 -4.131 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 107 21.022 -2.454 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.357 -2.163 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.286 -2.142 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.747 -2.735 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.002 -3.816 1.150 1.00 0.00 H new ATOM 1691 N GLU A 108 18.518 -9.349 -0.148 1.00 0.00 N ATOM 1692 CA GLU A 108 18.350 -10.659 -0.779 1.00 0.00 C ATOM 1693 C GLU A 108 17.328 -11.537 -0.060 1.00 0.00 C ATOM 1694 O GLU A 108 16.705 -12.398 -0.680 1.00 0.00 O ATOM 1695 CB GLU A 108 19.695 -11.384 -0.854 1.00 0.00 C ATOM 1696 CG GLU A 108 20.292 -11.702 0.507 1.00 0.00 C ATOM 1697 CD GLU A 108 21.579 -12.497 0.408 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.425 -12.153 -0.445 1.00 0.00 O ATOM 1699 OE2 GLU A 108 21.742 -13.464 1.182 1.00 0.00 O ATOM 0 H GLU A 108 19.464 -9.158 0.182 1.00 0.00 H new ATOM 0 HA GLU A 108 17.967 -10.478 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.567 -12.312 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.399 -10.769 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.484 -10.772 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.567 -12.264 1.095 1.00 0.00 H new ATOM 1706 N GLU A 109 17.159 -11.334 1.242 1.00 0.00 N ATOM 1707 CA GLU A 109 16.209 -12.134 2.015 1.00 0.00 C ATOM 1708 C GLU A 109 14.853 -12.211 1.323 1.00 0.00 C ATOM 1709 O GLU A 109 14.235 -13.275 1.269 1.00 0.00 O ATOM 1710 CB GLU A 109 16.044 -11.557 3.416 1.00 0.00 C ATOM 1711 CG GLU A 109 17.349 -11.478 4.182 1.00 0.00 C ATOM 1712 CD GLU A 109 17.382 -12.396 5.387 1.00 0.00 C ATOM 1713 OE1 GLU A 109 16.595 -13.366 5.417 1.00 0.00 O ATOM 1714 OE2 GLU A 109 18.194 -12.146 6.302 1.00 0.00 O ATOM 0 H GLU A 109 17.661 -10.630 1.783 1.00 0.00 H new ATOM 0 HA GLU A 109 16.611 -13.144 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.611 -10.559 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.338 -12.171 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.172 -11.733 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.511 -10.451 4.509 1.00 0.00 H new ATOM 1721 N TRP A 110 14.398 -11.086 0.787 1.00 0.00 N ATOM 1722 CA TRP A 110 13.122 -11.044 0.092 1.00 0.00 C ATOM 1723 C TRP A 110 13.330 -11.211 -1.403 1.00 0.00 C ATOM 1724 O TRP A 110 12.523 -11.847 -2.080 1.00 0.00 O ATOM 1725 CB TRP A 110 12.383 -9.731 0.371 1.00 0.00 C ATOM 1726 CG TRP A 110 13.272 -8.522 0.430 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.689 -7.873 1.555 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.845 -7.811 -0.677 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.482 -6.805 1.216 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.593 -6.745 -0.146 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.802 -7.970 -2.063 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.286 -5.846 -0.954 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.491 -7.079 -2.862 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.224 -6.028 -2.306 1.00 0.00 C ATOM 0 H TRP A 110 14.893 -10.195 0.821 1.00 0.00 H new ATOM 0 HA TRP A 110 12.512 -11.867 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.633 -9.578 -0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 110 11.850 -9.822 1.317 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.433 -8.158 2.565 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.919 -6.160 1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.238 -8.778 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.853 -5.033 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.463 -7.197 -3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.751 -5.347 -2.957 1.00 0.00 H new ATOM 1745 N ALA A 111 14.425 -10.629 -1.901 1.00 0.00 N ATOM 1746 CA ALA A 111 14.780 -10.684 -3.324 1.00 0.00 C ATOM 1747 C ALA A 111 13.603 -11.116 -4.196 1.00 0.00 C ATOM 1748 O ALA A 111 13.673 -12.123 -4.900 1.00 0.00 O ATOM 1749 CB ALA A 111 15.960 -11.620 -3.532 1.00 0.00 C ATOM 0 H ALA A 111 15.090 -10.107 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 111 15.057 -9.675 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.215 -11.654 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.817 -11.258 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.695 -12.621 -3.191 1.00 0.00 H new ATOM 1755 N ASP A 112 12.516 -10.356 -4.122 1.00 0.00 N ATOM 1756 CA ASP A 112 11.313 -10.664 -4.878 1.00 0.00 C ATOM 1757 C ASP A 112 10.661 -11.907 -4.317 1.00 0.00 C ATOM 1758 O ASP A 112 10.746 -12.991 -4.894 1.00 0.00 O ATOM 1759 CB ASP A 112 11.622 -10.867 -6.358 1.00 0.00 C ATOM 1760 CG ASP A 112 12.462 -9.747 -6.939 1.00 0.00 C ATOM 1761 OD1 ASP A 112 13.586 -9.528 -6.441 1.00 0.00 O ATOM 1762 OD2 ASP A 112 11.996 -9.087 -7.892 1.00 0.00 O ATOM 0 H ASP A 112 12.446 -9.519 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 112 10.632 -9.818 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.146 -11.814 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.687 -10.940 -6.913 1.00 0.00 H new ATOM 1767 N VAL A 113 10.012 -11.740 -3.182 1.00 0.00 N ATOM 1768 CA VAL A 113 9.344 -12.839 -2.529 1.00 0.00 C ATOM 1769 C VAL A 113 8.177 -13.330 -3.358 1.00 0.00 C ATOM 1770 O VAL A 113 7.257 -12.570 -3.664 1.00 0.00 O ATOM 1771 CB VAL A 113 8.814 -12.451 -1.145 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.634 -13.693 -0.301 1.00 0.00 C ATOM 1773 CG2 VAL A 113 9.741 -11.463 -0.461 1.00 0.00 C ATOM 0 H VAL A 113 9.935 -10.848 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 113 10.090 -13.626 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 113 7.847 -11.962 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.257 -13.413 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.923 -14.362 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.592 -14.200 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.339 -11.206 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.727 -11.911 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.823 -10.561 -1.068 1.00 0.00 H new ATOM 1783 N THR A 114 8.204 -14.604 -3.703 1.00 0.00 N ATOM 1784 CA THR A 114 7.128 -15.186 -4.476 1.00 0.00 C ATOM 1785 C THR A 114 6.092 -15.810 -3.549 1.00 0.00 C ATOM 1786 O THR A 114 5.337 -16.694 -3.956 1.00 0.00 O ATOM 1787 CB THR A 114 7.671 -16.236 -5.447 1.00 0.00 C ATOM 1788 OG1 THR A 114 6.633 -16.745 -6.267 1.00 0.00 O ATOM 1789 CG2 THR A 114 8.325 -17.410 -4.752 1.00 0.00 C ATOM 0 H THR A 114 8.955 -15.250 -3.461 1.00 0.00 H new ATOM 0 HA THR A 114 6.651 -14.395 -5.055 1.00 0.00 H new ATOM 0 HB THR A 114 8.425 -15.719 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.837 -16.912 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 114 8.688 -18.118 -5.497 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.161 -17.056 -4.149 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.597 -17.903 -4.108 1.00 0.00 H new ATOM 1797 N GLU A 115 6.065 -15.357 -2.293 1.00 0.00 N ATOM 1798 CA GLU A 115 5.126 -15.892 -1.323 1.00 0.00 C ATOM 1799 C GLU A 115 5.154 -15.103 -0.016 1.00 0.00 C ATOM 1800 O GLU A 115 5.856 -15.469 0.925 1.00 0.00 O ATOM 1801 CB GLU A 115 5.453 -17.353 -1.052 1.00 0.00 C ATOM 1802 CG GLU A 115 6.924 -17.606 -0.761 1.00 0.00 C ATOM 1803 CD GLU A 115 7.179 -18.996 -0.209 1.00 0.00 C ATOM 1804 OE1 GLU A 115 6.222 -19.615 0.302 1.00 0.00 O ATOM 1805 OE2 GLU A 115 8.334 -19.463 -0.287 1.00 0.00 O ATOM 0 H GLU A 115 6.680 -14.627 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 115 4.123 -15.806 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.860 -17.698 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.155 -17.949 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.500 -17.471 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.282 -16.864 -0.047 1.00 0.00 H new ATOM 1812 N THR A 116 4.380 -14.025 0.037 1.00 0.00 N ATOM 1813 CA THR A 116 4.310 -13.194 1.227 1.00 0.00 C ATOM 1814 C THR A 116 2.861 -12.901 1.601 1.00 0.00 C ATOM 1815 O THR A 116 1.934 -13.497 1.054 1.00 0.00 O ATOM 1816 CB THR A 116 5.067 -11.885 1.009 1.00 0.00 C ATOM 1817 OG1 THR A 116 5.646 -11.842 -0.284 1.00 0.00 O ATOM 1818 CG2 THR A 116 6.171 -11.673 2.014 1.00 0.00 C ATOM 0 H THR A 116 3.792 -13.708 -0.734 1.00 0.00 H new ATOM 0 HA THR A 116 4.776 -13.740 2.047 1.00 0.00 H new ATOM 0 HB THR A 116 4.325 -11.096 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.980 -11.526 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.673 -10.727 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.749 -11.649 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.890 -12.489 1.942 1.00 0.00 H new ATOM 1826 N ASN A 117 2.679 -11.977 2.540 1.00 0.00 N ATOM 1827 CA ASN A 117 1.349 -11.592 3.000 1.00 0.00 C ATOM 1828 C ASN A 117 1.454 -10.690 4.226 1.00 0.00 C ATOM 1829 O ASN A 117 2.545 -10.248 4.589 1.00 0.00 O ATOM 1830 CB ASN A 117 0.517 -12.836 3.338 1.00 0.00 C ATOM 1831 CG ASN A 117 1.287 -13.837 4.176 1.00 0.00 C ATOM 1832 OD1 ASN A 117 2.439 -13.604 4.541 1.00 0.00 O ATOM 1833 ND2 ASN A 117 0.651 -14.962 4.488 1.00 0.00 N ATOM 0 H ASN A 117 3.441 -11.478 2.999 1.00 0.00 H new ATOM 0 HA ASN A 117 0.853 -11.045 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.382 -12.533 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.192 -13.314 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.118 -15.673 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.304 -15.114 4.164 1.00 0.00 H new ATOM 1840 N ASP A 118 0.319 -10.425 4.865 1.00 0.00 N ATOM 1841 CA ASP A 118 0.290 -9.581 6.056 1.00 0.00 C ATOM 1842 C ASP A 118 1.272 -10.083 7.112 1.00 0.00 C ATOM 1843 O ASP A 118 1.681 -9.335 8.000 1.00 0.00 O ATOM 1844 CB ASP A 118 -1.122 -9.549 6.642 1.00 0.00 C ATOM 1845 CG ASP A 118 -1.747 -10.928 6.726 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -0.994 -11.924 6.696 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -2.989 -11.011 6.821 1.00 0.00 O ATOM 0 H ASP A 118 -0.593 -10.782 4.579 1.00 0.00 H new ATOM 0 HA ASP A 118 0.586 -8.574 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.089 -9.107 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.752 -8.905 6.029 1.00 0.00 H new ATOM 1852 N ALA A 119 1.643 -11.354 7.010 1.00 0.00 N ATOM 1853 CA ALA A 119 2.575 -11.964 7.954 1.00 0.00 C ATOM 1854 C ALA A 119 3.873 -11.170 8.035 1.00 0.00 C ATOM 1855 O ALA A 119 4.346 -10.842 9.123 1.00 0.00 O ATOM 1856 CB ALA A 119 2.860 -13.404 7.556 1.00 0.00 C ATOM 0 H ALA A 119 1.312 -11.985 6.280 1.00 0.00 H new ATOM 0 HA ALA A 119 2.112 -11.955 8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.556 -13.847 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.930 -13.972 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.298 -13.426 6.558 1.00 0.00 H new ATOM 1862 N LEU A 120 4.441 -10.856 6.875 1.00 0.00 N ATOM 1863 CA LEU A 120 5.682 -10.093 6.814 1.00 0.00 C ATOM 1864 C LEU A 120 5.404 -8.589 6.821 1.00 0.00 C ATOM 1865 O LEU A 120 6.313 -7.783 6.625 1.00 0.00 O ATOM 1866 CB LEU A 120 6.477 -10.471 5.563 1.00 0.00 C ATOM 1867 CG LEU A 120 7.443 -11.645 5.742 1.00 0.00 C ATOM 1868 CD1 LEU A 120 6.785 -12.948 5.311 1.00 0.00 C ATOM 1869 CD2 LEU A 120 8.723 -11.407 4.955 1.00 0.00 C ATOM 0 H LEU A 120 4.062 -11.118 5.965 1.00 0.00 H new ATOM 0 HA LEU A 120 6.270 -10.337 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.776 -10.715 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.044 -9.600 5.234 1.00 0.00 H new ATOM 0 HG LEU A 120 7.699 -11.722 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.486 -13.772 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.897 -13.125 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.500 -12.882 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.398 -12.252 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.485 -11.303 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.204 -10.496 5.310 1.00 0.00 H new ATOM 1881 N LYS A 121 4.144 -8.217 7.047 1.00 0.00 N ATOM 1882 CA LYS A 121 3.755 -6.812 7.079 1.00 0.00 C ATOM 1883 C LYS A 121 4.605 -6.031 8.072 1.00 0.00 C ATOM 1884 O LYS A 121 5.240 -6.611 8.953 1.00 0.00 O ATOM 1885 CB LYS A 121 2.275 -6.680 7.444 1.00 0.00 C ATOM 1886 CG LYS A 121 1.699 -5.302 7.160 1.00 0.00 C ATOM 1887 CD LYS A 121 0.182 -5.305 7.256 1.00 0.00 C ATOM 1888 CE LYS A 121 -0.290 -4.887 8.639 1.00 0.00 C ATOM 1889 NZ LYS A 121 -0.589 -6.062 9.504 1.00 0.00 N ATOM 0 H LYS A 121 3.378 -8.870 7.210 1.00 0.00 H new ATOM 0 HA LYS A 121 3.918 -6.395 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.705 -7.425 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.149 -6.906 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.109 -4.582 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.002 -4.978 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.232 -4.628 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.196 -6.301 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.475 -4.273 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.183 -4.268 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.908 -5.733 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.337 -6.635 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.269 -6.639 9.614 1.00 0.00 H new ATOM 1903 N MET A 122 4.618 -4.714 7.916 1.00 0.00 N ATOM 1904 CA MET A 122 5.396 -3.851 8.794 1.00 0.00 C ATOM 1905 C MET A 122 4.508 -2.810 9.462 1.00 0.00 C ATOM 1906 O MET A 122 3.665 -2.183 8.813 1.00 0.00 O ATOM 1907 CB MET A 122 6.512 -3.154 8.007 1.00 0.00 C ATOM 1908 CG MET A 122 7.018 -3.949 6.812 1.00 0.00 C ATOM 1909 SD MET A 122 6.343 -3.359 5.247 1.00 0.00 S ATOM 1910 CE MET A 122 7.295 -1.860 5.002 1.00 0.00 C ATOM 0 H MET A 122 4.099 -4.220 7.190 1.00 0.00 H new ATOM 0 HA MET A 122 5.841 -4.475 9.569 1.00 0.00 H new ATOM 0 HB2 MET A 122 6.148 -2.187 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.347 -2.957 8.679 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.106 -3.893 6.778 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.757 -4.999 6.943 1.00 0.00 H new ATOM 0 HE1 MET A 122 7.307 -1.606 3.942 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.841 -1.045 5.566 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.316 -2.017 5.349 1.00 0.00 H new ATOM 1920 N LYS A 123 4.711 -2.616 10.762 1.00 0.00 N ATOM 1921 CA LYS A 123 3.940 -1.636 11.518 1.00 0.00 C ATOM 1922 C LYS A 123 4.020 -0.264 10.850 1.00 0.00 C ATOM 1923 O LYS A 123 3.166 0.594 11.065 1.00 0.00 O ATOM 1924 CB LYS A 123 4.452 -1.547 12.956 1.00 0.00 C ATOM 1925 CG LYS A 123 4.497 -2.888 13.670 1.00 0.00 C ATOM 1926 CD LYS A 123 5.893 -3.490 13.644 1.00 0.00 C ATOM 1927 CE LYS A 123 6.274 -4.072 14.996 1.00 0.00 C ATOM 1928 NZ LYS A 123 5.451 -5.264 15.338 1.00 0.00 N ATOM 0 H LYS A 123 5.403 -3.124 11.313 1.00 0.00 H new ATOM 0 HA LYS A 123 2.899 -1.959 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.452 -1.114 12.950 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.813 -0.866 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.174 -2.762 14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.795 -3.576 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 123 5.940 -4.270 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.615 -2.725 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.328 -4.349 14.988 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.150 -3.311 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.741 -5.631 16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 4.447 -4.995 15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.589 -6.000 14.616 1.00 0.00 H new ATOM 1942 N GLN A 124 5.054 -0.070 10.037 1.00 0.00 N ATOM 1943 CA GLN A 124 5.252 1.185 9.330 1.00 0.00 C ATOM 1944 C GLN A 124 4.068 1.494 8.424 1.00 0.00 C ATOM 1945 O GLN A 124 3.216 2.317 8.756 1.00 0.00 O ATOM 1946 CB GLN A 124 6.526 1.118 8.493 1.00 0.00 C ATOM 1947 CG GLN A 124 7.772 1.584 9.232 1.00 0.00 C ATOM 1948 CD GLN A 124 7.951 0.898 10.573 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.035 0.865 11.393 1.00 0.00 O ATOM 1950 NE2 GLN A 124 9.138 0.347 10.801 1.00 0.00 N ATOM 0 H GLN A 124 5.770 -0.772 9.853 1.00 0.00 H new ATOM 0 HA GLN A 124 5.341 1.979 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.676 0.092 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.395 1.729 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.649 1.395 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.716 2.662 9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.869 0.399 10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.318 -0.128 11.686 1.00 0.00 H new ATOM 1959 N LEU A 125 4.028 0.832 7.271 1.00 0.00 N ATOM 1960 CA LEU A 125 2.960 1.037 6.301 1.00 0.00 C ATOM 1961 C LEU A 125 1.590 0.926 6.949 1.00 0.00 C ATOM 1962 O LEU A 125 0.683 1.688 6.622 1.00 0.00 O ATOM 1963 CB LEU A 125 3.073 0.022 5.163 1.00 0.00 C ATOM 1964 CG LEU A 125 2.662 -1.411 5.517 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.154 -1.582 5.399 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.386 -2.407 4.623 1.00 0.00 C ATOM 0 H LEU A 125 4.727 0.146 6.986 1.00 0.00 H new ATOM 0 HA LEU A 125 3.069 2.045 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.457 0.364 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.105 0.010 4.811 1.00 0.00 H new ATOM 0 HG LEU A 125 2.947 -1.605 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.883 -2.606 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.655 -0.894 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.843 -1.369 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.083 -3.420 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.132 -2.212 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.462 -2.303 4.759 1.00 0.00 H new ATOM 1978 N ASP A 126 1.442 -0.031 7.858 1.00 0.00 N ATOM 1979 CA ASP A 126 0.164 -0.237 8.532 1.00 0.00 C ATOM 1980 C ASP A 126 -0.180 0.948 9.425 1.00 0.00 C ATOM 1981 O ASP A 126 -1.219 1.586 9.255 1.00 0.00 O ATOM 1982 CB ASP A 126 0.187 -1.529 9.349 1.00 0.00 C ATOM 1983 CG ASP A 126 -1.070 -1.722 10.177 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -1.247 -0.984 11.168 1.00 0.00 O ATOM 1985 OD2 ASP A 126 -1.877 -2.611 9.833 1.00 0.00 O ATOM 0 H ASP A 126 2.183 -0.671 8.144 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.608 -0.323 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.307 -2.378 8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 126 1.054 -1.521 10.009 1.00 0.00 H new ATOM 1990 N THR A 127 0.697 1.246 10.373 1.00 0.00 N ATOM 1991 CA THR A 127 0.477 2.363 11.279 1.00 0.00 C ATOM 1992 C THR A 127 0.389 3.668 10.498 1.00 0.00 C ATOM 1993 O THR A 127 -0.299 4.605 10.905 1.00 0.00 O ATOM 1994 CB THR A 127 1.603 2.444 12.310 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.713 1.230 13.032 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.416 3.561 13.315 1.00 0.00 C ATOM 0 H THR A 127 1.563 0.732 10.534 1.00 0.00 H new ATOM 0 HA THR A 127 -0.465 2.202 11.802 1.00 0.00 H new ATOM 0 HB THR A 127 2.507 2.643 11.734 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.189 0.568 12.488 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.250 3.562 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.380 4.517 12.793 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.484 3.409 13.859 1.00 0.00 H new ATOM 2004 N TYR A 128 1.080 3.715 9.361 1.00 0.00 N ATOM 2005 CA TYR A 128 1.075 4.896 8.515 1.00 0.00 C ATOM 2006 C TYR A 128 -0.292 5.075 7.883 1.00 0.00 C ATOM 2007 O TYR A 128 -0.957 6.084 8.099 1.00 0.00 O ATOM 2008 CB TYR A 128 2.149 4.785 7.428 1.00 0.00 C ATOM 2009 CG TYR A 128 3.557 5.012 7.934 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.830 5.986 8.889 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.616 4.249 7.457 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.116 6.191 9.351 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.903 4.448 7.916 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.149 5.420 8.862 1.00 0.00 C ATOM 2015 OH TYR A 128 7.429 5.622 9.321 1.00 0.00 O ATOM 0 H TYR A 128 1.649 2.946 9.008 1.00 0.00 H new ATOM 0 HA TYR A 128 1.298 5.766 9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.091 3.796 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.934 5.510 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.024 6.592 9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.429 3.487 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.311 6.952 10.092 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.714 3.844 7.535 1.00 0.00 H new ATOM 0 HH TYR A 128 7.762 4.799 9.736 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.711 4.079 7.113 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.002 4.107 6.454 1.00 0.00 C ATOM 2027 C ILE A 129 -3.128 4.396 7.443 1.00 0.00 C ATOM 2028 O ILE A 129 -4.173 4.928 7.070 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.283 2.767 5.758 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.637 2.830 5.048 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.252 1.631 6.769 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.707 2.048 5.757 1.00 0.00 C ATOM 0 H ILE A 129 -0.167 3.236 6.931 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.968 4.907 5.714 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.508 2.577 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.950 3.871 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.527 2.448 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.453 0.687 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.269 1.589 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.012 1.802 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.644 2.131 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.413 1.000 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.842 2.445 6.763 1.00 0.00 H new ATOM 2044 N SER A 130 -2.912 4.026 8.698 1.00 0.00 N ATOM 2045 CA SER A 130 -3.913 4.228 9.734 1.00 0.00 C ATOM 2046 C SER A 130 -4.091 5.704 10.069 1.00 0.00 C ATOM 2047 O SER A 130 -5.187 6.248 9.938 1.00 0.00 O ATOM 2048 CB SER A 130 -3.521 3.451 10.988 1.00 0.00 C ATOM 2049 OG SER A 130 -4.255 3.894 12.117 1.00 0.00 O ATOM 0 H SER A 130 -2.052 3.584 9.022 1.00 0.00 H new ATOM 0 HA SER A 130 -4.866 3.859 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.699 2.387 10.830 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.454 3.572 11.175 1.00 0.00 H new ATOM 0 HG SER A 130 -3.985 3.378 12.906 1.00 0.00 H new ATOM 2055 N LYS A 131 -3.018 6.346 10.510 1.00 0.00 N ATOM 2056 CA LYS A 131 -3.082 7.762 10.870 1.00 0.00 C ATOM 2057 C LYS A 131 -2.924 8.666 9.647 1.00 0.00 C ATOM 2058 O LYS A 131 -3.263 9.847 9.697 1.00 0.00 O ATOM 2059 CB LYS A 131 -2.022 8.103 11.927 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.620 8.315 11.371 1.00 0.00 C ATOM 2061 CD LYS A 131 0.272 7.115 11.636 1.00 0.00 C ATOM 2062 CE LYS A 131 1.520 7.504 12.412 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.333 8.518 11.687 1.00 0.00 N ATOM 0 H LYS A 131 -2.100 5.917 10.628 1.00 0.00 H new ATOM 0 HA LYS A 131 -4.070 7.945 11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -2.330 9.006 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.990 7.300 12.663 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.677 8.497 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.179 9.204 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.285 6.364 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.560 6.659 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.233 7.899 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.126 6.616 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.811 9.136 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.044 8.037 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.713 9.091 11.080 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.404 8.114 8.556 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.204 8.893 7.339 1.00 0.00 C ATOM 2079 C TYR A 132 -3.528 9.302 6.716 1.00 0.00 C ATOM 2080 O TYR A 132 -3.566 10.170 5.846 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.361 8.124 6.324 1.00 0.00 C ATOM 2082 CG TYR A 132 0.120 8.411 6.434 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.783 8.288 7.649 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.855 8.810 5.324 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.136 8.551 7.753 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.207 9.075 5.421 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.844 8.945 6.637 1.00 0.00 C ATOM 2088 OH TYR A 132 4.191 9.207 6.737 1.00 0.00 O ATOM 0 H TYR A 132 -2.115 7.138 8.489 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.666 9.798 7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.528 7.055 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.699 8.374 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.232 7.982 8.526 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.361 8.915 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.637 8.448 8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.763 9.383 4.548 1.00 0.00 H new ATOM 0 HH TYR A 132 4.539 9.471 5.860 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.614 8.676 7.161 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.944 8.985 6.639 1.00 0.00 C ATOM 2100 C GLN A 133 -6.147 10.489 6.461 1.00 0.00 C ATOM 2101 O GLN A 133 -6.885 10.922 5.575 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.016 8.419 7.567 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.735 8.655 9.041 1.00 0.00 C ATOM 2104 CD GLN A 133 -7.724 9.613 9.678 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -7.890 10.745 9.225 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -8.386 9.160 10.736 1.00 0.00 N ATOM 0 H GLN A 133 -4.601 7.953 7.880 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.031 8.520 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.977 8.867 7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.107 7.347 7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.766 7.702 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -5.726 9.051 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.216 8.214 11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.064 9.758 11.208 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.485 11.279 7.297 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.590 12.731 7.219 1.00 0.00 C ATOM 2117 C ASP A 134 -4.764 13.265 6.049 1.00 0.00 C ATOM 2118 O ASP A 134 -3.982 12.530 5.450 1.00 0.00 O ATOM 2119 CB ASP A 134 -5.120 13.363 8.531 1.00 0.00 C ATOM 2120 CG ASP A 134 -6.276 13.789 9.416 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -6.936 12.904 10.000 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.523 15.010 9.524 1.00 0.00 O ATOM 0 H ASP A 134 -4.870 10.939 8.036 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.634 12.996 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.496 12.651 9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.497 14.230 8.311 1.00 0.00 H new ATOM 2127 N PRO A 135 -4.915 14.558 5.708 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.168 15.171 4.607 1.00 0.00 C ATOM 2129 C PRO A 135 -2.667 14.955 4.748 1.00 0.00 C ATOM 2130 O PRO A 135 -1.927 14.996 3.764 1.00 0.00 O ATOM 2131 CB PRO A 135 -4.508 16.664 4.713 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.123 16.828 6.060 1.00 0.00 C ATOM 2133 CD PRO A 135 -5.806 15.527 6.357 1.00 0.00 C ATOM 0 HA PRO A 135 -4.436 14.736 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.615 17.280 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.197 16.968 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.366 17.053 6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -5.834 17.654 6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -5.893 15.347 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -6.815 15.493 5.945 1.00 0.00 H new ATOM 2141 N SER A 136 -2.223 14.725 5.980 1.00 0.00 N ATOM 2142 CA SER A 136 -0.812 14.502 6.255 1.00 0.00 C ATOM 2143 C SER A 136 -0.595 14.148 7.721 1.00 0.00 C ATOM 2144 O SER A 136 -0.174 13.040 8.048 1.00 0.00 O ATOM 2145 CB SER A 136 0.001 15.748 5.899 1.00 0.00 C ATOM 2146 OG SER A 136 0.417 15.719 4.545 1.00 0.00 O ATOM 0 H SER A 136 -2.823 14.689 6.804 1.00 0.00 H new ATOM 0 HA SER A 136 -0.476 13.666 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 136 -0.599 16.640 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.874 15.814 6.549 1.00 0.00 H new ATOM 0 HG SER A 136 -0.173 15.126 4.034 1.00 0.00 H new ATOM 2152 N GLN A 137 -0.879 15.109 8.600 1.00 0.00 N ATOM 2153 CA GLN A 137 -0.711 14.920 10.041 1.00 0.00 C ATOM 2154 C GLN A 137 0.759 15.038 10.448 1.00 0.00 C ATOM 2155 O GLN A 137 1.078 15.064 11.636 1.00 0.00 O ATOM 2156 CB GLN A 137 -1.269 13.564 10.481 1.00 0.00 C ATOM 2157 CG GLN A 137 -1.976 13.611 11.826 1.00 0.00 C ATOM 2158 CD GLN A 137 -3.106 12.607 11.929 1.00 0.00 C ATOM 2159 OE1 GLN A 137 -3.484 11.977 10.940 1.00 0.00 O ATOM 2160 NE2 GLN A 137 -3.656 12.453 13.128 1.00 0.00 N ATOM 0 H GLN A 137 -1.228 16.031 8.338 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.271 15.710 10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -1.966 13.203 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -0.453 12.843 10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.253 13.420 12.619 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.371 14.614 11.989 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.312 12.995 13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -4.422 11.792 13.256 1.00 0.00 H new ATOM 2169 N ALA A 138 1.650 15.111 9.460 1.00 0.00 N ATOM 2170 CA ALA A 138 3.077 15.229 9.726 1.00 0.00 C ATOM 2171 C ALA A 138 3.598 14.013 10.483 1.00 0.00 C ATOM 2172 O ALA A 138 4.523 14.121 11.289 1.00 0.00 O ATOM 2173 CB ALA A 138 3.366 16.503 10.506 1.00 0.00 C ATOM 0 H ALA A 138 1.406 15.090 8.470 1.00 0.00 H new ATOM 0 HA ALA A 138 3.596 15.277 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.436 16.577 10.697 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.040 17.366 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.829 16.479 11.454 1.00 0.00 H new ATOM 2179 N ASP A 139 3.001 12.856 10.217 1.00 0.00 N ATOM 2180 CA ASP A 139 3.407 11.619 10.874 1.00 0.00 C ATOM 2181 C ASP A 139 3.196 11.707 12.383 1.00 0.00 C ATOM 2182 O ASP A 139 4.048 11.286 13.166 1.00 0.00 O ATOM 2183 CB ASP A 139 4.874 11.311 10.567 1.00 0.00 C ATOM 2184 CG ASP A 139 5.163 9.823 10.555 1.00 0.00 C ATOM 2185 OD1 ASP A 139 4.299 9.053 10.085 1.00 0.00 O ATOM 2186 OD2 ASP A 139 6.254 9.426 11.017 1.00 0.00 O ATOM 0 H ASP A 139 2.235 12.749 9.552 1.00 0.00 H new ATOM 0 HA ASP A 139 2.786 10.811 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.137 11.737 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.507 11.795 11.311 1.00 0.00 H new ATOM 2191 N ALA A 140 2.055 12.259 12.785 1.00 0.00 N ATOM 2192 CA ALA A 140 1.734 12.403 14.200 1.00 0.00 C ATOM 2193 C ALA A 140 0.953 11.197 14.710 1.00 0.00 C ATOM 2194 O ALA A 140 1.068 10.885 15.914 1.00 0.00 O ATOM 2195 CB ALA A 140 0.944 13.683 14.433 1.00 0.00 C ATOM 2196 OXT ALA A 140 0.230 10.576 13.902 1.00 0.00 O ATOM 0 H ALA A 140 1.339 12.613 12.151 1.00 0.00 H new ATOM 0 HA ALA A 140 2.669 12.459 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.711 13.779 15.493 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.537 14.540 14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.018 13.648 13.859 1.00 0.00 H new TER 2202 ALA A 140