USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -1.58! C(o=-3.6!,f=-4.9!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -2.06! USER MOD Set 2.1: A 16 SER OG : rot -96:sc= 0.0179 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.49 K(o=-0.47,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -0.0686 (180deg=-0.751) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.66 K(o=-0.66,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= -0.125 (180deg=-1.42) USER MOD Single : A 41 SER OG : rot -79:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0404 X(o=-0.04,f=-0.12) USER MOD Single : A 51 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.53) USER MOD Single : A 60 LYS NZ :NH3+ -113:sc= 0.555 (180deg=-0.00674) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.41! C(o=-2.9!,f=-1.4!) USER MOD Single : A 73 MET CE :methyl 179:sc= 0 (180deg=-0.00468) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.857 -5.158 -8.935 1.00 0.00 N ATOM 60 CA GLY A 7 -6.726 -4.558 -8.250 1.00 0.00 C ATOM 61 C GLY A 7 -6.414 -3.164 -8.756 1.00 0.00 C ATOM 62 O GLY A 7 -6.073 -2.983 -9.925 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.934 -4.515 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.849 -5.192 -8.379 1.00 0.00 H new ATOM 66 N ARG A 8 -6.532 -2.176 -7.875 1.00 0.00 N ATOM 67 CA ARG A 8 -6.262 -0.791 -8.240 1.00 0.00 C ATOM 68 C ARG A 8 -4.786 -0.455 -8.048 1.00 0.00 C ATOM 69 O ARG A 8 -4.076 -1.134 -7.307 1.00 0.00 O ATOM 70 CB ARG A 8 -7.125 0.156 -7.404 1.00 0.00 C ATOM 71 CG ARG A 8 -6.819 0.105 -5.916 1.00 0.00 C ATOM 72 CD ARG A 8 -7.814 0.929 -5.114 1.00 0.00 C ATOM 73 NE ARG A 8 -7.507 2.356 -5.162 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.905 3.161 -6.141 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.622 2.681 -7.148 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.586 4.448 -6.114 1.00 0.00 N ATOM 0 H ARG A 8 -6.813 -2.309 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.511 -0.664 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.981 1.176 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.175 -0.091 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.842 -0.930 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.810 0.477 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.819 0.761 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.811 0.592 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.957 2.757 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.869 1.692 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.926 3.301 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.035 4.821 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.892 5.065 -6.866 1.00 0.00 H new ATOM 90 N VAL A 9 -4.331 0.597 -8.721 1.00 0.00 N ATOM 91 CA VAL A 9 -2.941 1.024 -8.624 1.00 0.00 C ATOM 92 C VAL A 9 -2.826 2.369 -7.916 1.00 0.00 C ATOM 93 O VAL A 9 -3.448 3.351 -8.321 1.00 0.00 O ATOM 94 CB VAL A 9 -2.288 1.131 -10.015 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.857 1.631 -9.896 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.336 -0.210 -10.731 1.00 0.00 C ATOM 0 H VAL A 9 -4.906 1.169 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.418 0.265 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.851 1.853 -10.607 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.412 1.700 -10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.853 2.615 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.278 0.937 -9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.870 -0.116 -11.712 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.799 -0.955 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.374 -0.522 -10.850 1.00 0.00 H new ATOM 106 N VAL A 10 -2.027 2.407 -6.854 1.00 0.00 N ATOM 107 CA VAL A 10 -1.829 3.632 -6.089 1.00 0.00 C ATOM 108 C VAL A 10 -0.397 4.138 -6.223 1.00 0.00 C ATOM 109 O VAL A 10 0.545 3.352 -6.312 1.00 0.00 O ATOM 110 CB VAL A 10 -2.150 3.421 -4.598 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.634 4.717 -3.966 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.183 2.317 -4.427 1.00 0.00 C ATOM 0 H VAL A 10 -1.506 1.603 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.514 4.375 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.236 3.116 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.856 4.547 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.858 5.477 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.535 5.056 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.398 2.181 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.099 2.591 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.793 1.387 -4.840 1.00 0.00 H new ATOM 122 N VAL A 11 -0.241 5.458 -6.236 1.00 0.00 N ATOM 123 CA VAL A 11 1.076 6.071 -6.357 1.00 0.00 C ATOM 124 C VAL A 11 1.257 7.192 -5.340 1.00 0.00 C ATOM 125 O VAL A 11 0.433 8.104 -5.253 1.00 0.00 O ATOM 126 CB VAL A 11 1.305 6.635 -7.772 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.676 7.285 -7.873 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.148 5.538 -8.814 1.00 0.00 C ATOM 0 H VAL A 11 -1.011 6.123 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 11 1.808 5.287 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 11 0.552 7.399 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.819 7.677 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.746 8.100 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.447 6.544 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.313 5.954 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.877 4.750 -8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.142 5.123 -8.757 1.00 0.00 H new ATOM 138 N ILE A 12 2.339 7.118 -4.573 1.00 0.00 N ATOM 139 CA ILE A 12 2.628 8.128 -3.562 1.00 0.00 C ATOM 140 C ILE A 12 4.068 8.620 -3.672 1.00 0.00 C ATOM 141 O ILE A 12 4.938 7.916 -4.185 1.00 0.00 O ATOM 142 CB ILE A 12 2.390 7.586 -2.140 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.064 6.826 -2.076 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.403 8.724 -1.130 1.00 0.00 C ATOM 145 CD1 ILE A 12 1.043 5.734 -1.029 1.00 0.00 C ATOM 0 H ILE A 12 3.030 6.370 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 12 1.947 8.960 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 12 3.196 6.896 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.260 7.532 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.859 6.386 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.233 8.325 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.370 9.227 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.615 9.437 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.073 5.238 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.825 5.007 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.216 6.170 -0.045 1.00 0.00 H new ATOM 157 N LYS A 13 4.312 9.832 -3.186 1.00 0.00 N ATOM 158 CA LYS A 13 5.647 10.418 -3.226 1.00 0.00 C ATOM 159 C LYS A 13 6.033 10.984 -1.863 1.00 0.00 C ATOM 160 O LYS A 13 5.443 11.956 -1.393 1.00 0.00 O ATOM 161 CB LYS A 13 5.710 11.521 -4.284 1.00 0.00 C ATOM 162 CG LYS A 13 4.765 11.298 -5.453 1.00 0.00 C ATOM 163 CD LYS A 13 3.379 11.846 -5.161 1.00 0.00 C ATOM 164 CE LYS A 13 2.537 11.933 -6.425 1.00 0.00 C ATOM 165 NZ LYS A 13 1.994 10.605 -6.823 1.00 0.00 N ATOM 0 H LYS A 13 3.603 10.428 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 13 6.355 9.631 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.475 12.476 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.730 11.593 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.167 11.779 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.698 10.232 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.880 11.207 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.465 12.835 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.713 12.629 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.142 12.336 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.431 10.305 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.208 9.907 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.964 10.674 -6.947 1.00 0.00 H new ATOM 179 N LYS A 14 7.029 10.370 -1.233 1.00 0.00 N ATOM 180 CA LYS A 14 7.498 10.813 0.074 1.00 0.00 C ATOM 181 C LYS A 14 7.453 12.334 0.181 1.00 0.00 C ATOM 182 O LYS A 14 7.879 13.043 -0.730 1.00 0.00 O ATOM 183 CB LYS A 14 8.923 10.315 0.324 1.00 0.00 C ATOM 184 CG LYS A 14 9.236 10.077 1.791 1.00 0.00 C ATOM 185 CD LYS A 14 10.514 9.274 1.966 1.00 0.00 C ATOM 186 CE LYS A 14 10.277 7.790 1.729 1.00 0.00 C ATOM 187 NZ LYS A 14 11.517 6.991 1.932 1.00 0.00 N ATOM 0 H LYS A 14 7.527 9.563 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 14 6.836 10.393 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.076 9.387 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.629 11.043 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.334 11.034 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.406 9.548 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.272 9.638 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.905 9.425 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.500 7.434 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.909 7.638 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.314 5.985 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.250 7.314 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.854 7.115 2.908 1.00 0.00 H new ATOM 201 N GLY A 15 6.936 12.829 1.301 1.00 0.00 N ATOM 202 CA GLY A 15 6.847 14.263 1.507 1.00 0.00 C ATOM 203 C GLY A 15 7.731 14.743 2.640 1.00 0.00 C ATOM 204 O GLY A 15 8.956 14.637 2.568 1.00 0.00 O ATOM 0 H GLY A 15 6.577 12.263 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.129 14.777 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.812 14.533 1.719 1.00 0.00 H new ATOM 208 N SER A 16 7.111 15.272 3.690 1.00 0.00 N ATOM 209 CA SER A 16 7.850 15.775 4.842 1.00 0.00 C ATOM 210 C SER A 16 8.153 14.649 5.826 1.00 0.00 C ATOM 211 O SER A 16 9.309 14.281 6.028 1.00 0.00 O ATOM 212 CB SER A 16 7.057 16.880 5.541 1.00 0.00 C ATOM 213 OG SER A 16 7.742 17.352 6.689 1.00 0.00 O ATOM 0 H SER A 16 6.098 15.363 3.767 1.00 0.00 H new ATOM 0 HA SER A 16 8.794 16.187 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.890 17.705 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.076 16.501 5.829 1.00 0.00 H new ATOM 0 HG SER A 16 7.405 16.889 7.484 1.00 0.00 H new ATOM 219 N ASN A 17 7.104 14.107 6.436 1.00 0.00 N ATOM 220 CA ASN A 17 7.256 13.024 7.401 1.00 0.00 C ATOM 221 C ASN A 17 7.462 11.689 6.691 1.00 0.00 C ATOM 222 O ASN A 17 8.422 10.970 6.965 1.00 0.00 O ATOM 223 CB ASN A 17 6.029 12.947 8.311 1.00 0.00 C ATOM 224 CG ASN A 17 5.794 14.235 9.075 1.00 0.00 C ATOM 225 OD1 ASN A 17 6.077 15.325 8.578 1.00 0.00 O ATOM 226 ND2 ASN A 17 5.274 14.115 10.291 1.00 0.00 N ATOM 0 H ASN A 17 6.140 14.400 6.279 1.00 0.00 H new ATOM 0 HA ASN A 17 8.137 13.233 8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.149 12.718 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.155 12.127 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.094 14.947 10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.055 13.191 10.663 1.00 0.00 H new ATOM 233 N GLY A 18 6.553 11.365 5.776 1.00 0.00 N ATOM 234 CA GLY A 18 6.653 10.118 5.041 1.00 0.00 C ATOM 235 C GLY A 18 5.596 9.995 3.961 1.00 0.00 C ATOM 236 O GLY A 18 5.460 10.878 3.113 1.00 0.00 O ATOM 0 H GLY A 18 5.750 11.944 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.642 10.045 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.558 9.282 5.735 1.00 0.00 H new ATOM 240 N TYR A 19 4.847 8.899 3.990 1.00 0.00 N ATOM 241 CA TYR A 19 3.800 8.662 3.004 1.00 0.00 C ATOM 242 C TYR A 19 2.433 9.057 3.555 1.00 0.00 C ATOM 243 O TYR A 19 1.731 9.883 2.973 1.00 0.00 O ATOM 244 CB TYR A 19 3.788 7.191 2.585 1.00 0.00 C ATOM 245 CG TYR A 19 5.029 6.765 1.834 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.189 7.069 0.487 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.042 6.059 2.471 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.321 6.681 -0.203 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.179 5.669 1.789 1.00 0.00 C ATOM 250 CZ TYR A 19 7.313 5.982 0.452 1.00 0.00 C ATOM 251 OH TYR A 19 8.443 5.595 -0.232 1.00 0.00 O ATOM 0 H TYR A 19 4.945 8.160 4.686 1.00 0.00 H new ATOM 0 HA TYR A 19 4.012 9.280 2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.680 6.570 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.914 7.007 1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.415 7.618 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.939 5.811 3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.429 6.924 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.958 5.122 2.300 1.00 0.00 H new ATOM 0 HH TYR A 19 9.043 5.113 0.374 1.00 0.00 H new ATOM 261 N GLY A 20 2.062 8.459 4.683 1.00 0.00 N ATOM 262 CA GLY A 20 0.781 8.761 5.296 1.00 0.00 C ATOM 263 C GLY A 20 -0.132 7.552 5.355 1.00 0.00 C ATOM 264 O GLY A 20 -1.349 7.677 5.219 1.00 0.00 O ATOM 0 H GLY A 20 2.625 7.771 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.945 9.139 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.291 9.556 4.734 1.00 0.00 H new ATOM 268 N PHE A 21 0.457 6.378 5.557 1.00 0.00 N ATOM 269 CA PHE A 21 -0.312 5.140 5.631 1.00 0.00 C ATOM 270 C PHE A 21 0.407 4.104 6.490 1.00 0.00 C ATOM 271 O PHE A 21 1.636 4.087 6.562 1.00 0.00 O ATOM 272 CB PHE A 21 -0.552 4.579 4.228 1.00 0.00 C ATOM 273 CG PHE A 21 0.655 3.910 3.636 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.692 4.662 3.110 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.751 2.528 3.605 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.805 4.049 2.564 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.861 1.909 3.061 1.00 0.00 C ATOM 278 CZ PHE A 21 2.888 2.670 2.539 1.00 0.00 C ATOM 0 H PHE A 21 1.463 6.257 5.672 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.273 5.365 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.372 3.862 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.868 5.389 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.631 5.740 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.050 1.928 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.608 4.647 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.925 0.831 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.755 2.188 2.112 1.00 0.00 H new ATOM 288 N TYR A 22 -0.367 3.242 7.138 1.00 0.00 N ATOM 289 CA TYR A 22 0.195 2.204 7.994 1.00 0.00 C ATOM 290 C TYR A 22 -0.065 0.818 7.412 1.00 0.00 C ATOM 291 O TYR A 22 -0.904 0.651 6.526 1.00 0.00 O ATOM 292 CB TYR A 22 -0.399 2.297 9.401 1.00 0.00 C ATOM 293 CG TYR A 22 -0.042 3.576 10.125 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.518 4.803 9.681 1.00 0.00 C ATOM 295 CD2 TYR A 22 0.770 3.556 11.252 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.195 5.975 10.339 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.098 4.722 11.916 1.00 0.00 C ATOM 298 CZ TYR A 22 0.613 5.928 11.456 1.00 0.00 C ATOM 299 OH TYR A 22 0.938 7.092 12.115 1.00 0.00 O ATOM 0 H TYR A 22 -1.386 3.241 7.087 1.00 0.00 H new ATOM 0 HA TYR A 22 1.272 2.359 8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.484 2.218 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.053 1.447 9.989 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.151 4.842 8.807 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.151 2.613 11.615 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.573 6.921 9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.731 4.689 12.791 1.00 0.00 H new ATOM 0 HH TYR A 22 1.513 6.885 12.881 1.00 0.00 H new ATOM 309 N LEU A 23 0.661 -0.174 7.916 1.00 0.00 N ATOM 310 CA LEU A 23 0.511 -1.547 7.447 1.00 0.00 C ATOM 311 C LEU A 23 0.500 -2.524 8.619 1.00 0.00 C ATOM 312 O LEU A 23 1.356 -2.460 9.501 1.00 0.00 O ATOM 313 CB LEU A 23 1.642 -1.904 6.481 1.00 0.00 C ATOM 314 CG LEU A 23 1.670 -1.128 5.164 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.960 -1.405 4.408 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.462 -1.483 4.310 1.00 0.00 C ATOM 0 H LEU A 23 1.359 -0.053 8.649 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.442 -1.624 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.592 -1.748 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.575 -2.967 6.252 1.00 0.00 H new ATOM 0 HG LEU A 23 1.628 -0.063 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.962 -0.844 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.811 -1.099 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.033 -2.471 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.499 -0.921 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.472 -2.551 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.451 -1.232 4.849 1.00 0.00 H new ATOM 328 N ARG A 24 -0.473 -3.429 8.618 1.00 0.00 N ATOM 329 CA ARG A 24 -0.594 -4.421 9.680 1.00 0.00 C ATOM 330 C ARG A 24 -0.939 -5.792 9.107 1.00 0.00 C ATOM 331 O ARG A 24 -1.628 -5.897 8.093 1.00 0.00 O ATOM 332 CB ARG A 24 -1.664 -3.993 10.687 1.00 0.00 C ATOM 333 CG ARG A 24 -1.979 -5.054 11.729 1.00 0.00 C ATOM 334 CD ARG A 24 -3.260 -4.731 12.483 1.00 0.00 C ATOM 335 NE ARG A 24 -3.428 -5.575 13.663 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.403 -5.413 14.549 1.00 0.00 C ATOM 337 NH1 ARG A 24 -5.294 -4.444 14.390 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.490 -6.222 15.598 1.00 0.00 N ATOM 0 H ARG A 24 -1.189 -3.496 7.894 1.00 0.00 H new ATOM 0 HA ARG A 24 0.367 -4.491 10.189 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.333 -3.086 11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.578 -3.742 10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.076 -6.025 11.243 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.151 -5.131 12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.249 -3.684 12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.114 -4.862 11.819 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.759 -6.330 13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.231 -3.821 13.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.042 -4.322 15.073 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.807 -6.969 15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.240 -6.096 16.278 1.00 0.00 H new ATOM 352 N ALA A 25 -0.455 -6.841 9.764 1.00 0.00 N ATOM 353 CA ALA A 25 -0.713 -8.206 9.321 1.00 0.00 C ATOM 354 C ALA A 25 -2.192 -8.553 9.445 1.00 0.00 C ATOM 355 O ALA A 25 -2.703 -8.751 10.546 1.00 0.00 O ATOM 356 CB ALA A 25 0.130 -9.188 10.120 1.00 0.00 C ATOM 0 H ALA A 25 0.118 -6.772 10.605 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.437 -8.279 8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.073 -10.203 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.186 -8.961 9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.119 -9.104 11.178 1.00 0.00 H new ATOM 362 N GLY A 26 -2.876 -8.623 8.307 1.00 0.00 N ATOM 363 CA GLY A 26 -4.291 -8.945 8.311 1.00 0.00 C ATOM 364 C GLY A 26 -4.548 -10.427 8.497 1.00 0.00 C ATOM 365 O GLY A 26 -3.704 -11.166 9.004 1.00 0.00 O ATOM 0 H GLY A 26 -2.476 -8.463 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.784 -8.391 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.738 -8.617 7.372 1.00 0.00 H new ATOM 369 N PRO A 27 -5.740 -10.882 8.082 1.00 0.00 N ATOM 370 CA PRO A 27 -6.133 -12.290 8.196 1.00 0.00 C ATOM 371 C PRO A 27 -5.349 -13.190 7.248 1.00 0.00 C ATOM 372 O PRO A 27 -4.516 -12.717 6.475 1.00 0.00 O ATOM 373 CB PRO A 27 -7.616 -12.276 7.816 1.00 0.00 C ATOM 374 CG PRO A 27 -7.773 -11.075 6.949 1.00 0.00 C ATOM 375 CD PRO A 27 -6.794 -10.058 7.468 1.00 0.00 C ATOM 0 HA PRO A 27 -5.937 -12.688 9.192 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.898 -13.186 7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.251 -12.212 8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.568 -11.317 5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.793 -10.693 6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.400 -9.434 6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.256 -9.390 8.195 1.00 0.00 H new ATOM 383 N GLU A 28 -5.620 -14.490 7.313 1.00 0.00 N ATOM 384 CA GLU A 28 -4.939 -15.456 6.459 1.00 0.00 C ATOM 385 C GLU A 28 -4.654 -14.860 5.084 1.00 0.00 C ATOM 386 O GLU A 28 -3.567 -15.037 4.533 1.00 0.00 O ATOM 387 CB GLU A 28 -5.781 -16.725 6.313 1.00 0.00 C ATOM 388 CG GLU A 28 -7.277 -16.478 6.420 1.00 0.00 C ATOM 389 CD GLU A 28 -7.789 -16.610 7.841 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.966 -17.755 8.306 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.014 -15.566 8.489 1.00 0.00 O ATOM 0 H GLU A 28 -6.306 -14.898 7.948 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.989 -15.712 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.565 -17.185 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.483 -17.439 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.504 -15.479 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.805 -17.185 5.780 1.00 0.00 H new ATOM 398 N GLN A 29 -5.638 -14.155 4.535 1.00 0.00 N ATOM 399 CA GLN A 29 -5.494 -13.535 3.224 1.00 0.00 C ATOM 400 C GLN A 29 -4.138 -12.848 3.092 1.00 0.00 C ATOM 401 O GLN A 29 -3.858 -11.867 3.781 1.00 0.00 O ATOM 402 CB GLN A 29 -6.616 -12.523 2.989 1.00 0.00 C ATOM 403 CG GLN A 29 -7.905 -13.150 2.481 1.00 0.00 C ATOM 404 CD GLN A 29 -7.738 -13.810 1.127 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.241 -14.933 1.027 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.155 -13.116 0.074 1.00 0.00 N ATOM 0 H GLN A 29 -6.543 -13.999 4.978 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.558 -14.320 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.821 -11.997 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.277 -11.777 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.253 -13.890 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.676 -12.383 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.561 -12.189 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.069 -13.510 -0.863 1.00 0.00 H new ATOM 415 N LYS A 30 -3.300 -13.371 2.204 1.00 0.00 N ATOM 416 CA LYS A 30 -1.973 -12.809 1.981 1.00 0.00 C ATOM 417 C LYS A 30 -2.062 -11.329 1.622 1.00 0.00 C ATOM 418 O LYS A 30 -2.861 -10.933 0.775 1.00 0.00 O ATOM 419 CB LYS A 30 -1.254 -13.572 0.866 1.00 0.00 C ATOM 420 CG LYS A 30 -1.220 -15.075 1.082 1.00 0.00 C ATOM 421 CD LYS A 30 -0.320 -15.452 2.247 1.00 0.00 C ATOM 422 CE LYS A 30 -0.798 -16.722 2.933 1.00 0.00 C ATOM 423 NZ LYS A 30 0.266 -17.330 3.779 1.00 0.00 N ATOM 0 H LYS A 30 -3.516 -14.184 1.627 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.404 -12.907 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.746 -13.361 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.232 -13.202 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.230 -15.439 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.867 -15.566 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.700 -15.592 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.295 -14.635 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.668 -16.496 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.119 -17.442 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.099 -18.193 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.086 -17.569 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.555 -16.653 4.513 1.00 0.00 H new ATOM 437 N GLY A 31 -1.235 -10.516 2.273 1.00 0.00 N ATOM 438 CA GLY A 31 -1.236 -9.089 2.007 1.00 0.00 C ATOM 439 C GLY A 31 -1.364 -8.264 3.273 1.00 0.00 C ATOM 440 O GLY A 31 -1.863 -8.748 4.288 1.00 0.00 O ATOM 0 H GLY A 31 -0.565 -10.820 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.315 -8.818 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.060 -8.848 1.335 1.00 0.00 H new ATOM 444 N GLN A 32 -0.912 -7.016 3.212 1.00 0.00 N ATOM 445 CA GLN A 32 -0.976 -6.123 4.363 1.00 0.00 C ATOM 446 C GLN A 32 -2.146 -5.153 4.235 1.00 0.00 C ATOM 447 O GLN A 32 -2.474 -4.703 3.136 1.00 0.00 O ATOM 448 CB GLN A 32 0.334 -5.346 4.506 1.00 0.00 C ATOM 449 CG GLN A 32 1.557 -6.237 4.649 1.00 0.00 C ATOM 450 CD GLN A 32 1.504 -7.106 5.890 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.616 -6.613 7.013 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.332 -8.408 5.694 1.00 0.00 N ATOM 0 H GLN A 32 -0.497 -6.600 2.378 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.128 -6.731 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.463 -4.704 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.266 -4.693 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.643 -6.873 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.452 -5.616 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.244 -8.774 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.288 -9.042 6.492 1.00 0.00 H new ATOM 461 N ILE A 33 -2.771 -4.835 5.363 1.00 0.00 N ATOM 462 CA ILE A 33 -3.903 -3.918 5.376 1.00 0.00 C ATOM 463 C ILE A 33 -3.458 -2.499 5.714 1.00 0.00 C ATOM 464 O ILE A 33 -2.458 -2.300 6.405 1.00 0.00 O ATOM 465 CB ILE A 33 -4.976 -4.362 6.389 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.319 -5.839 6.187 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.222 -3.499 6.253 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.425 -6.332 7.094 1.00 0.00 C ATOM 0 H ILE A 33 -2.512 -5.199 6.280 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.332 -3.933 4.374 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.579 -4.236 7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.614 -5.997 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.425 -6.438 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.971 -3.825 6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.965 -2.457 6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.624 -3.597 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.615 -7.387 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.125 -6.207 8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.333 -5.758 6.906 1.00 0.00 H new ATOM 480 N ILE A 34 -4.206 -1.517 5.223 1.00 0.00 N ATOM 481 CA ILE A 34 -3.890 -0.117 5.475 1.00 0.00 C ATOM 482 C ILE A 34 -4.851 0.490 6.491 1.00 0.00 C ATOM 483 O ILE A 34 -6.028 0.130 6.541 1.00 0.00 O ATOM 484 CB ILE A 34 -3.939 0.713 4.179 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.868 0.232 3.198 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.754 2.191 4.489 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.828 1.024 1.910 1.00 0.00 C ATOM 0 H ILE A 34 -5.035 -1.665 4.648 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.877 -0.090 5.876 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.916 0.578 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.892 0.290 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.046 -0.818 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.791 2.764 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.549 2.525 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.789 2.343 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.045 0.627 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.791 0.946 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.619 2.070 2.133 1.00 0.00 H new ATOM 499 N LYS A 35 -4.344 1.414 7.299 1.00 0.00 N ATOM 500 CA LYS A 35 -5.157 2.075 8.313 1.00 0.00 C ATOM 501 C LYS A 35 -4.427 3.280 8.896 1.00 0.00 C ATOM 502 O LYS A 35 -3.228 3.456 8.679 1.00 0.00 O ATOM 503 CB LYS A 35 -5.515 1.092 9.430 1.00 0.00 C ATOM 504 CG LYS A 35 -4.306 0.551 10.174 1.00 0.00 C ATOM 505 CD LYS A 35 -3.529 -0.443 9.328 1.00 0.00 C ATOM 506 CE LYS A 35 -2.609 -1.303 10.183 1.00 0.00 C ATOM 507 NZ LYS A 35 -1.760 -0.478 11.086 1.00 0.00 N ATOM 0 H LYS A 35 -3.372 1.723 7.271 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.073 2.424 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.177 1.587 10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.072 0.258 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.653 1.376 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.631 0.069 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.225 -1.082 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.940 0.093 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.207 -1.994 10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.972 -1.907 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.777 -0.816 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.797 0.517 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.112 -0.557 12.062 1.00 0.00 H new ATOM 521 N ASP A 36 -5.156 4.106 9.638 1.00 0.00 N ATOM 522 CA ASP A 36 -4.576 5.293 10.256 1.00 0.00 C ATOM 523 C ASP A 36 -4.055 6.257 9.195 1.00 0.00 C ATOM 524 O ASP A 36 -2.966 6.817 9.332 1.00 0.00 O ATOM 525 CB ASP A 36 -3.444 4.899 11.205 1.00 0.00 C ATOM 526 CG ASP A 36 -3.956 4.404 12.543 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.342 3.220 12.630 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.972 5.202 13.505 1.00 0.00 O ATOM 0 H ASP A 36 -6.150 3.976 9.826 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.358 5.795 10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.839 4.121 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.792 5.758 11.364 1.00 0.00 H new ATOM 533 N ILE A 37 -4.838 6.446 8.138 1.00 0.00 N ATOM 534 CA ILE A 37 -4.455 7.342 7.054 1.00 0.00 C ATOM 535 C ILE A 37 -4.512 8.800 7.500 1.00 0.00 C ATOM 536 O ILE A 37 -5.464 9.221 8.156 1.00 0.00 O ATOM 537 CB ILE A 37 -5.363 7.158 5.824 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.177 5.760 5.231 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.065 8.225 4.781 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.087 5.476 4.056 1.00 0.00 C ATOM 0 H ILE A 37 -5.742 5.990 8.009 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.431 7.087 6.781 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.401 7.264 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.141 5.644 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.358 5.017 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.715 8.081 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.243 9.212 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.024 8.147 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.900 4.468 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.127 5.560 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.890 6.196 3.261 1.00 0.00 H new ATOM 552 N GLU A 38 -3.486 9.564 7.138 1.00 0.00 N ATOM 553 CA GLU A 38 -3.420 10.975 7.501 1.00 0.00 C ATOM 554 C GLU A 38 -4.019 11.847 6.401 1.00 0.00 C ATOM 555 O GLU A 38 -3.887 11.566 5.210 1.00 0.00 O ATOM 556 CB GLU A 38 -1.971 11.390 7.764 1.00 0.00 C ATOM 557 CG GLU A 38 -1.336 10.669 8.942 1.00 0.00 C ATOM 558 CD GLU A 38 0.109 11.071 9.160 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.397 12.286 9.150 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.954 10.169 9.343 1.00 0.00 O ATOM 0 H GLU A 38 -2.690 9.230 6.594 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.001 11.118 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.379 11.198 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.937 12.464 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.909 10.881 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.389 9.593 8.776 1.00 0.00 H new ATOM 567 N PRO A 39 -4.694 12.933 6.809 1.00 0.00 N ATOM 568 CA PRO A 39 -5.326 13.869 5.875 1.00 0.00 C ATOM 569 C PRO A 39 -4.304 14.680 5.086 1.00 0.00 C ATOM 570 O PRO A 39 -3.187 14.908 5.549 1.00 0.00 O ATOM 571 CB PRO A 39 -6.144 14.784 6.790 1.00 0.00 C ATOM 572 CG PRO A 39 -5.451 14.721 8.107 1.00 0.00 C ATOM 573 CD PRO A 39 -4.890 13.329 8.214 1.00 0.00 C ATOM 0 HA PRO A 39 -5.922 13.353 5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.173 15.804 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.177 14.444 6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.658 15.467 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.144 14.926 8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.953 13.315 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.577 12.657 8.729 1.00 0.00 H new ATOM 581 N GLY A 40 -4.695 15.114 3.892 1.00 0.00 N ATOM 582 CA GLY A 40 -3.800 15.896 3.058 1.00 0.00 C ATOM 583 C GLY A 40 -2.425 15.271 2.939 1.00 0.00 C ATOM 584 O GLY A 40 -1.457 15.947 2.589 1.00 0.00 O ATOM 0 H GLY A 40 -5.615 14.938 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.235 16.002 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.705 16.899 3.473 1.00 0.00 H new ATOM 588 N SER A 41 -2.336 13.978 3.232 1.00 0.00 N ATOM 589 CA SER A 41 -1.067 13.263 3.161 1.00 0.00 C ATOM 590 C SER A 41 -0.920 12.549 1.821 1.00 0.00 C ATOM 591 O SER A 41 -1.900 12.195 1.166 1.00 0.00 O ATOM 592 CB SER A 41 -0.963 12.251 4.305 1.00 0.00 C ATOM 593 OG SER A 41 -1.709 11.081 4.019 1.00 0.00 O ATOM 0 H SER A 41 -3.128 13.404 3.521 1.00 0.00 H new ATOM 0 HA SER A 41 -0.262 13.992 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.082 11.989 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.327 12.702 5.228 1.00 0.00 H new ATOM 0 HG SER A 41 -2.659 11.249 4.191 1.00 0.00 H new ATOM 599 N PRO A 42 0.336 12.332 1.402 1.00 0.00 N ATOM 600 CA PRO A 42 0.643 11.659 0.137 1.00 0.00 C ATOM 601 C PRO A 42 -0.153 10.371 -0.043 1.00 0.00 C ATOM 602 O PRO A 42 -0.439 9.959 -1.167 1.00 0.00 O ATOM 603 CB PRO A 42 2.138 11.351 0.253 1.00 0.00 C ATOM 604 CG PRO A 42 2.665 12.381 1.191 1.00 0.00 C ATOM 605 CD PRO A 42 1.552 12.728 2.132 1.00 0.00 C ATOM 0 HA PRO A 42 0.386 12.275 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.306 10.344 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.631 11.410 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.527 11.999 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.999 13.264 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.644 12.191 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.547 13.792 2.370 1.00 0.00 H new ATOM 613 N ALA A 43 -0.510 9.741 1.071 1.00 0.00 N ATOM 614 CA ALA A 43 -1.275 8.501 1.036 1.00 0.00 C ATOM 615 C ALA A 43 -2.740 8.770 0.708 1.00 0.00 C ATOM 616 O ALA A 43 -3.330 8.095 -0.135 1.00 0.00 O ATOM 617 CB ALA A 43 -1.156 7.769 2.364 1.00 0.00 C ATOM 0 H ALA A 43 -0.282 10.069 2.009 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.862 7.871 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.732 6.845 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.109 7.535 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.541 8.402 3.164 1.00 0.00 H new ATOM 623 N GLU A 44 -3.320 9.760 1.379 1.00 0.00 N ATOM 624 CA GLU A 44 -4.717 10.116 1.158 1.00 0.00 C ATOM 625 C GLU A 44 -4.905 10.760 -0.213 1.00 0.00 C ATOM 626 O GLU A 44 -5.902 10.519 -0.892 1.00 0.00 O ATOM 627 CB GLU A 44 -5.203 11.069 2.252 1.00 0.00 C ATOM 628 CG GLU A 44 -6.652 11.496 2.089 1.00 0.00 C ATOM 629 CD GLU A 44 -7.325 11.796 3.414 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.284 10.927 4.310 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.892 12.900 3.556 1.00 0.00 O ATOM 0 H GLU A 44 -2.845 10.329 2.079 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.308 9.201 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.082 10.587 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.570 11.956 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.697 12.381 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.203 10.708 1.576 1.00 0.00 H new ATOM 638 N ALA A 45 -3.938 11.580 -0.612 1.00 0.00 N ATOM 639 CA ALA A 45 -3.995 12.257 -1.901 1.00 0.00 C ATOM 640 C ALA A 45 -3.725 11.285 -3.044 1.00 0.00 C ATOM 641 O ALA A 45 -4.141 11.516 -4.179 1.00 0.00 O ATOM 642 CB ALA A 45 -2.999 13.407 -1.937 1.00 0.00 C ATOM 0 H ALA A 45 -3.106 11.791 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.001 12.657 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.052 13.904 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.239 14.121 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.992 13.021 -1.782 1.00 0.00 H new ATOM 648 N ALA A 46 -3.025 10.198 -2.738 1.00 0.00 N ATOM 649 CA ALA A 46 -2.700 9.190 -3.740 1.00 0.00 C ATOM 650 C ALA A 46 -3.946 8.425 -4.172 1.00 0.00 C ATOM 651 O ALA A 46 -4.032 7.947 -5.303 1.00 0.00 O ATOM 652 CB ALA A 46 -1.649 8.230 -3.202 1.00 0.00 C ATOM 0 H ALA A 46 -2.672 9.993 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.296 9.700 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.416 7.483 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.745 8.784 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.032 7.734 -2.310 1.00 0.00 H new ATOM 658 N GLY A 47 -4.911 8.313 -3.265 1.00 0.00 N ATOM 659 CA GLY A 47 -6.140 7.604 -3.572 1.00 0.00 C ATOM 660 C GLY A 47 -6.335 6.379 -2.701 1.00 0.00 C ATOM 661 O GLY A 47 -7.284 5.617 -2.892 1.00 0.00 O ATOM 0 H GLY A 47 -4.864 8.701 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.987 8.278 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.131 7.303 -4.620 1.00 0.00 H new ATOM 665 N LEU A 48 -5.436 6.186 -1.743 1.00 0.00 N ATOM 666 CA LEU A 48 -5.512 5.043 -0.840 1.00 0.00 C ATOM 667 C LEU A 48 -6.895 4.943 -0.204 1.00 0.00 C ATOM 668 O LEU A 48 -7.778 5.755 -0.481 1.00 0.00 O ATOM 669 CB LEU A 48 -4.444 5.157 0.250 1.00 0.00 C ATOM 670 CG LEU A 48 -3.085 4.537 -0.075 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.178 4.568 1.145 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.255 3.111 -0.580 1.00 0.00 C ATOM 0 H LEU A 48 -4.645 6.807 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.333 4.139 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.295 6.213 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.827 4.689 1.157 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.618 5.127 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.215 4.122 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.029 5.600 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.639 4.003 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.277 2.686 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.744 2.509 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.866 3.115 -1.482 1.00 0.00 H new ATOM 684 N LYS A 49 -7.076 3.942 0.650 1.00 0.00 N ATOM 685 CA LYS A 49 -8.350 3.736 1.329 1.00 0.00 C ATOM 686 C LYS A 49 -8.190 2.784 2.510 1.00 0.00 C ATOM 687 O LYS A 49 -7.565 1.731 2.390 1.00 0.00 O ATOM 688 CB LYS A 49 -9.389 3.181 0.351 1.00 0.00 C ATOM 689 CG LYS A 49 -9.968 4.231 -0.582 1.00 0.00 C ATOM 690 CD LYS A 49 -11.372 3.865 -1.031 1.00 0.00 C ATOM 691 CE LYS A 49 -11.356 2.731 -2.044 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.709 2.141 -2.239 1.00 0.00 N ATOM 0 H LYS A 49 -6.356 3.260 0.889 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.692 4.700 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.930 2.392 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.200 2.723 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.987 5.197 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.323 4.340 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.967 3.573 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.854 4.739 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.981 3.102 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.667 1.956 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.655 1.372 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.057 1.764 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.361 2.875 -2.582 1.00 0.00 H new ATOM 706 N ASN A 50 -8.760 3.162 3.650 1.00 0.00 N ATOM 707 CA ASN A 50 -8.681 2.341 4.853 1.00 0.00 C ATOM 708 C ASN A 50 -9.085 0.900 4.556 1.00 0.00 C ATOM 709 O ASN A 50 -10.003 0.650 3.776 1.00 0.00 O ATOM 710 CB ASN A 50 -9.578 2.918 5.949 1.00 0.00 C ATOM 711 CG ASN A 50 -9.202 4.341 6.314 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.767 5.299 5.786 1.00 0.00 O ATOM 713 ND2 ASN A 50 -8.244 4.485 7.223 1.00 0.00 N ATOM 0 H ASN A 50 -9.281 4.031 3.766 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.647 2.346 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.616 2.893 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.513 2.289 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.949 5.418 7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.803 3.662 7.634 1.00 0.00 H new ATOM 720 N ASN A 51 -8.391 -0.045 5.183 1.00 0.00 N ATOM 721 CA ASN A 51 -8.678 -1.461 4.986 1.00 0.00 C ATOM 722 C ASN A 51 -8.252 -1.914 3.593 1.00 0.00 C ATOM 723 O ASN A 51 -8.875 -2.792 2.997 1.00 0.00 O ATOM 724 CB ASN A 51 -10.169 -1.734 5.190 1.00 0.00 C ATOM 725 CG ASN A 51 -10.745 -0.958 6.358 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.445 -1.245 7.517 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.578 0.032 6.057 1.00 0.00 N ATOM 0 H ASN A 51 -7.627 0.144 5.831 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.108 -2.027 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.711 -1.472 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.321 -2.801 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.997 0.590 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.798 0.235 5.082 1.00 0.00 H new ATOM 734 N ASP A 52 -7.186 -1.308 3.080 1.00 0.00 N ATOM 735 CA ASP A 52 -6.675 -1.649 1.758 1.00 0.00 C ATOM 736 C ASP A 52 -5.666 -2.791 1.843 1.00 0.00 C ATOM 737 O ASP A 52 -4.588 -2.639 2.419 1.00 0.00 O ATOM 738 CB ASP A 52 -6.026 -0.427 1.107 1.00 0.00 C ATOM 739 CG ASP A 52 -7.013 0.388 0.294 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.188 -0.025 0.198 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.611 1.439 -0.246 1.00 0.00 O ATOM 0 H ASP A 52 -6.659 -0.578 3.560 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.515 -1.975 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.588 0.204 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.210 -0.753 0.462 1.00 0.00 H new ATOM 746 N LEU A 53 -6.024 -3.933 1.267 1.00 0.00 N ATOM 747 CA LEU A 53 -5.150 -5.102 1.279 1.00 0.00 C ATOM 748 C LEU A 53 -4.180 -5.068 0.103 1.00 0.00 C ATOM 749 O LEU A 53 -4.583 -5.198 -1.053 1.00 0.00 O ATOM 750 CB LEU A 53 -5.982 -6.385 1.232 1.00 0.00 C ATOM 751 CG LEU A 53 -5.212 -7.691 1.431 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.954 -7.939 2.909 1.00 0.00 C ATOM 753 CD2 LEU A 53 -5.973 -8.857 0.817 1.00 0.00 C ATOM 0 H LEU A 53 -6.912 -4.075 0.786 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.572 -5.084 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.755 -6.322 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.491 -6.429 0.269 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.250 -7.604 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.405 -8.873 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.367 -7.117 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.905 -8.005 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.411 -9.778 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.949 -8.946 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.105 -8.683 -0.251 1.00 0.00 H new ATOM 765 N VAL A 54 -2.897 -4.893 0.405 1.00 0.00 N ATOM 766 CA VAL A 54 -1.868 -4.845 -0.626 1.00 0.00 C ATOM 767 C VAL A 54 -1.298 -6.233 -0.899 1.00 0.00 C ATOM 768 O VAL A 54 -0.834 -6.915 0.014 1.00 0.00 O ATOM 769 CB VAL A 54 -0.719 -3.899 -0.229 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.365 -3.898 -1.296 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.245 -2.492 0.009 1.00 0.00 C ATOM 0 H VAL A 54 -2.546 -4.782 1.356 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.344 -4.467 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.280 -4.260 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.168 -3.224 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.762 -4.906 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.057 -3.563 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.420 -1.837 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.711 -2.119 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.982 -2.510 0.812 1.00 0.00 H new ATOM 781 N VAL A 55 -1.337 -6.644 -2.162 1.00 0.00 N ATOM 782 CA VAL A 55 -0.823 -7.951 -2.557 1.00 0.00 C ATOM 783 C VAL A 55 0.547 -7.827 -3.213 1.00 0.00 C ATOM 784 O VAL A 55 1.368 -8.741 -3.137 1.00 0.00 O ATOM 785 CB VAL A 55 -1.783 -8.661 -3.529 1.00 0.00 C ATOM 786 CG1 VAL A 55 -2.898 -9.359 -2.765 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.353 -7.671 -4.533 1.00 0.00 C ATOM 0 H VAL A 55 -1.719 -6.091 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.735 -8.545 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.222 -9.418 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.566 -9.855 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.468 -10.099 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.459 -8.624 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.029 -8.190 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.899 -6.890 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.540 -7.222 -5.104 1.00 0.00 H new ATOM 797 N ALA A 56 0.789 -6.689 -3.857 1.00 0.00 N ATOM 798 CA ALA A 56 2.061 -6.445 -4.524 1.00 0.00 C ATOM 799 C ALA A 56 2.497 -4.993 -4.359 1.00 0.00 C ATOM 800 O ALA A 56 1.668 -4.103 -4.170 1.00 0.00 O ATOM 801 CB ALA A 56 1.961 -6.803 -6.000 1.00 0.00 C ATOM 0 H ALA A 56 0.120 -5.922 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 56 2.815 -7.079 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.919 -6.616 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.703 -7.857 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.190 -6.193 -6.471 1.00 0.00 H new ATOM 807 N VAL A 57 3.804 -4.760 -4.431 1.00 0.00 N ATOM 808 CA VAL A 57 4.350 -3.416 -4.290 1.00 0.00 C ATOM 809 C VAL A 57 5.468 -3.168 -5.296 1.00 0.00 C ATOM 810 O VAL A 57 6.382 -3.980 -5.435 1.00 0.00 O ATOM 811 CB VAL A 57 4.892 -3.177 -2.868 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.391 -1.747 -2.720 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.822 -3.486 -1.832 1.00 0.00 C ATOM 0 H VAL A 57 4.504 -5.485 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 57 3.532 -2.721 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 57 5.733 -3.849 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.770 -1.597 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.190 -1.564 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.570 -1.054 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.222 -3.312 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.960 -2.840 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.517 -4.528 -1.924 1.00 0.00 H new ATOM 823 N ASN A 58 5.389 -2.041 -5.995 1.00 0.00 N ATOM 824 CA ASN A 58 6.395 -1.686 -6.989 1.00 0.00 C ATOM 825 C ASN A 58 6.569 -2.806 -8.011 1.00 0.00 C ATOM 826 O ASN A 58 7.642 -2.971 -8.589 1.00 0.00 O ATOM 827 CB ASN A 58 7.733 -1.389 -6.309 1.00 0.00 C ATOM 828 CG ASN A 58 7.849 0.058 -5.869 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.340 0.962 -6.531 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.523 0.282 -4.747 1.00 0.00 N ATOM 0 H ASN A 58 4.639 -1.358 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 58 6.054 -0.792 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.850 -2.040 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.546 -1.624 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.636 1.235 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.928 -0.499 -4.231 1.00 0.00 H new ATOM 837 N GLY A 59 5.504 -3.572 -8.228 1.00 0.00 N ATOM 838 CA GLY A 59 5.560 -4.666 -9.180 1.00 0.00 C ATOM 839 C GLY A 59 6.273 -5.883 -8.624 1.00 0.00 C ATOM 840 O GLY A 59 6.924 -6.622 -9.363 1.00 0.00 O ATOM 0 H GLY A 59 4.604 -3.455 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.547 -4.943 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.070 -4.331 -10.084 1.00 0.00 H new ATOM 844 N LYS A 60 6.151 -6.092 -7.318 1.00 0.00 N ATOM 845 CA LYS A 60 6.789 -7.228 -6.662 1.00 0.00 C ATOM 846 C LYS A 60 5.845 -7.873 -5.652 1.00 0.00 C ATOM 847 O LYS A 60 5.169 -7.182 -4.890 1.00 0.00 O ATOM 848 CB LYS A 60 8.075 -6.782 -5.961 1.00 0.00 C ATOM 849 CG LYS A 60 9.112 -6.201 -6.906 1.00 0.00 C ATOM 850 CD LYS A 60 9.845 -7.292 -7.669 1.00 0.00 C ATOM 851 CE LYS A 60 10.700 -6.714 -8.786 1.00 0.00 C ATOM 852 NZ LYS A 60 9.880 -6.318 -9.964 1.00 0.00 N ATOM 0 H LYS A 60 5.616 -5.490 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 60 7.035 -7.966 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.827 -6.037 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.509 -7.635 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.626 -5.527 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.829 -5.607 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.475 -7.857 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.123 -7.993 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.245 -5.846 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.444 -7.450 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.108 -6.936 -10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.871 -6.411 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.088 -5.331 -10.216 1.00 0.00 H new ATOM 866 N SER A 61 5.806 -9.202 -5.651 1.00 0.00 N ATOM 867 CA SER A 61 4.943 -9.941 -4.737 1.00 0.00 C ATOM 868 C SER A 61 5.342 -9.683 -3.287 1.00 0.00 C ATOM 869 O SER A 61 6.474 -9.953 -2.885 1.00 0.00 O ATOM 870 CB SER A 61 5.010 -11.439 -5.037 1.00 0.00 C ATOM 871 OG SER A 61 4.749 -11.697 -6.406 1.00 0.00 O ATOM 0 H SER A 61 6.362 -9.789 -6.273 1.00 0.00 H new ATOM 0 HA SER A 61 3.920 -9.595 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.996 -11.822 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.286 -11.970 -4.419 1.00 0.00 H new ATOM 0 HG SER A 61 4.799 -12.661 -6.573 1.00 0.00 H new ATOM 877 N VAL A 62 4.403 -9.160 -2.505 1.00 0.00 N ATOM 878 CA VAL A 62 4.654 -8.866 -1.099 1.00 0.00 C ATOM 879 C VAL A 62 3.718 -9.661 -0.196 1.00 0.00 C ATOM 880 O VAL A 62 4.035 -9.924 0.963 1.00 0.00 O ATOM 881 CB VAL A 62 4.485 -7.365 -0.800 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.224 -6.528 -1.834 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.010 -6.993 -0.757 1.00 0.00 C ATOM 0 H VAL A 62 3.461 -8.931 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 62 5.685 -9.156 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 62 4.918 -7.156 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.093 -5.470 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.285 -6.776 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.824 -6.738 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.909 -5.929 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.550 -7.216 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.512 -7.568 0.024 1.00 0.00 H new ATOM 893 N GLU A 63 2.565 -10.042 -0.736 1.00 0.00 N ATOM 894 CA GLU A 63 1.583 -10.808 0.022 1.00 0.00 C ATOM 895 C GLU A 63 2.227 -12.030 0.669 1.00 0.00 C ATOM 896 O GLU A 63 1.715 -12.570 1.648 1.00 0.00 O ATOM 897 CB GLU A 63 0.432 -11.245 -0.887 1.00 0.00 C ATOM 898 CG GLU A 63 0.781 -12.416 -1.790 1.00 0.00 C ATOM 899 CD GLU A 63 1.562 -11.992 -3.019 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.557 -11.255 -2.865 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.176 -12.399 -4.135 1.00 0.00 O ATOM 0 H GLU A 63 2.288 -9.833 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 63 1.190 -10.166 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.425 -11.516 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.126 -10.400 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.365 -13.143 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.136 -12.916 -2.101 1.00 0.00 H new ATOM 908 N ALA A 64 3.354 -12.462 0.112 1.00 0.00 N ATOM 909 CA ALA A 64 4.070 -13.619 0.634 1.00 0.00 C ATOM 910 C ALA A 64 5.025 -13.215 1.753 1.00 0.00 C ATOM 911 O ALA A 64 5.331 -14.013 2.640 1.00 0.00 O ATOM 912 CB ALA A 64 4.830 -14.318 -0.484 1.00 0.00 C ATOM 0 H ALA A 64 3.791 -12.028 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 64 3.338 -14.311 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.360 -15.180 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.128 -14.650 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.547 -13.625 -0.925 1.00 0.00 H new ATOM 918 N LEU A 65 5.492 -11.973 1.706 1.00 0.00 N ATOM 919 CA LEU A 65 6.413 -11.463 2.715 1.00 0.00 C ATOM 920 C LEU A 65 5.689 -11.208 4.034 1.00 0.00 C ATOM 921 O LEU A 65 4.473 -11.374 4.128 1.00 0.00 O ATOM 922 CB LEU A 65 7.075 -10.173 2.226 1.00 0.00 C ATOM 923 CG LEU A 65 8.379 -10.342 1.447 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.684 -9.090 0.639 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.528 -10.662 2.392 1.00 0.00 C ATOM 0 H LEU A 65 5.248 -11.300 0.980 1.00 0.00 H new ATOM 0 HA LEU A 65 7.182 -12.217 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.364 -9.640 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.271 -9.539 3.090 1.00 0.00 H new ATOM 0 HG LEU A 65 8.261 -11.176 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.616 -9.229 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.873 -8.905 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.782 -8.238 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.448 -10.779 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.647 -9.849 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.313 -11.588 2.926 1.00 0.00 H new ATOM 937 N ASP A 66 6.444 -10.802 5.048 1.00 0.00 N ATOM 938 CA ASP A 66 5.874 -10.520 6.361 1.00 0.00 C ATOM 939 C ASP A 66 5.777 -9.017 6.600 1.00 0.00 C ATOM 940 O ASP A 66 6.247 -8.217 5.790 1.00 0.00 O ATOM 941 CB ASP A 66 6.719 -11.170 7.457 1.00 0.00 C ATOM 942 CG ASP A 66 8.206 -10.972 7.237 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.736 -11.510 6.242 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.840 -10.277 8.058 1.00 0.00 O ATOM 0 H ASP A 66 7.452 -10.661 4.987 1.00 0.00 H new ATOM 0 HA ASP A 66 4.868 -10.940 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.439 -10.751 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.500 -12.237 7.496 1.00 0.00 H new ATOM 949 N HIS A 67 5.163 -8.639 7.717 1.00 0.00 N ATOM 950 CA HIS A 67 5.003 -7.231 8.062 1.00 0.00 C ATOM 951 C HIS A 67 6.243 -6.432 7.673 1.00 0.00 C ATOM 952 O HIS A 67 6.149 -5.422 6.974 1.00 0.00 O ATOM 953 CB HIS A 67 4.734 -7.079 9.560 1.00 0.00 C ATOM 954 CG HIS A 67 4.803 -5.662 10.040 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.765 -4.722 9.890 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.798 -5.066 10.772 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.328 -3.586 10.527 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.138 -3.820 11.051 1.00 0.00 N flip ATOM 0 H HIS A 67 4.768 -9.288 8.398 1.00 0.00 H new ATOM 0 HA HIS A 67 4.151 -6.840 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.747 -7.483 9.786 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.458 -7.677 10.113 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.876 -5.543 11.071 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.869 -2.653 10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.577 -3.153 11.581 1.00 0.00 H new ATOM 967 N ASP A 68 7.404 -6.890 8.129 1.00 0.00 N ATOM 968 CA ASP A 68 8.663 -6.218 7.827 1.00 0.00 C ATOM 969 C ASP A 68 8.963 -6.271 6.333 1.00 0.00 C ATOM 970 O ASP A 68 9.256 -5.250 5.712 1.00 0.00 O ATOM 971 CB ASP A 68 9.808 -6.859 8.613 1.00 0.00 C ATOM 972 CG ASP A 68 11.169 -6.502 8.048 1.00 0.00 C ATOM 973 OD1 ASP A 68 11.583 -5.333 8.193 1.00 0.00 O ATOM 974 OD2 ASP A 68 11.819 -7.392 7.461 1.00 0.00 O ATOM 0 H ASP A 68 7.499 -7.724 8.709 1.00 0.00 H new ATOM 0 HA ASP A 68 8.569 -5.173 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.754 -6.539 9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.688 -7.942 8.606 1.00 0.00 H new ATOM 979 N GLY A 69 8.888 -7.469 5.761 1.00 0.00 N ATOM 980 CA GLY A 69 9.155 -7.633 4.344 1.00 0.00 C ATOM 981 C GLY A 69 8.385 -6.645 3.491 1.00 0.00 C ATOM 982 O GLY A 69 8.975 -5.881 2.726 1.00 0.00 O ATOM 0 H GLY A 69 8.647 -8.329 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.223 -7.511 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.895 -8.648 4.043 1.00 0.00 H new ATOM 986 N VAL A 70 7.062 -6.659 3.619 1.00 0.00 N ATOM 987 CA VAL A 70 6.209 -5.758 2.853 1.00 0.00 C ATOM 988 C VAL A 70 6.574 -4.301 3.116 1.00 0.00 C ATOM 989 O VAL A 70 6.788 -3.525 2.184 1.00 0.00 O ATOM 990 CB VAL A 70 4.721 -5.972 3.189 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.845 -5.072 2.331 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.339 -7.433 3.005 1.00 0.00 C ATOM 0 H VAL A 70 6.557 -7.285 4.247 1.00 0.00 H new ATOM 0 HA VAL A 70 6.372 -5.986 1.800 1.00 0.00 H new ATOM 0 HB VAL A 70 4.560 -5.706 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.797 -5.237 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.103 -4.029 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.006 -5.304 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.285 -7.567 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.514 -7.727 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.944 -8.053 3.666 1.00 0.00 H new ATOM 1002 N VAL A 71 6.643 -3.935 4.392 1.00 0.00 N ATOM 1003 CA VAL A 71 6.983 -2.571 4.779 1.00 0.00 C ATOM 1004 C VAL A 71 8.380 -2.196 4.299 1.00 0.00 C ATOM 1005 O VAL A 71 8.721 -1.017 4.211 1.00 0.00 O ATOM 1006 CB VAL A 71 6.910 -2.386 6.306 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.204 -0.942 6.684 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.547 -2.815 6.830 1.00 0.00 C ATOM 0 H VAL A 71 6.468 -4.564 5.175 1.00 0.00 H new ATOM 0 HA VAL A 71 6.251 -1.916 4.306 1.00 0.00 H new ATOM 0 HB VAL A 71 7.668 -3.019 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.148 -0.831 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.204 -0.673 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.471 -0.286 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.513 -2.678 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.770 -2.210 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.380 -3.866 6.592 1.00 0.00 H new ATOM 1018 N GLU A 72 9.185 -3.207 3.988 1.00 0.00 N ATOM 1019 CA GLU A 72 10.546 -2.983 3.517 1.00 0.00 C ATOM 1020 C GLU A 72 10.550 -2.532 2.059 1.00 0.00 C ATOM 1021 O GLU A 72 11.187 -1.540 1.708 1.00 0.00 O ATOM 1022 CB GLU A 72 11.379 -4.257 3.670 1.00 0.00 C ATOM 1023 CG GLU A 72 12.876 -4.023 3.556 1.00 0.00 C ATOM 1024 CD GLU A 72 13.688 -5.257 3.901 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.259 -6.371 3.536 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.752 -5.107 4.538 1.00 0.00 O ATOM 0 H GLU A 72 8.918 -4.189 4.054 1.00 0.00 H new ATOM 0 HA GLU A 72 10.988 -2.194 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.163 -4.708 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.073 -4.975 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.114 -3.708 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.164 -3.207 4.218 1.00 0.00 H new ATOM 1033 N MET A 73 9.834 -3.268 1.216 1.00 0.00 N ATOM 1034 CA MET A 73 9.754 -2.944 -0.203 1.00 0.00 C ATOM 1035 C MET A 73 9.444 -1.464 -0.406 1.00 0.00 C ATOM 1036 O MET A 73 10.029 -0.811 -1.271 1.00 0.00 O ATOM 1037 CB MET A 73 8.684 -3.799 -0.884 1.00 0.00 C ATOM 1038 CG MET A 73 9.025 -5.280 -0.926 1.00 0.00 C ATOM 1039 SD MET A 73 10.416 -5.642 -2.014 1.00 0.00 S ATOM 1040 CE MET A 73 9.905 -7.214 -2.705 1.00 0.00 C ATOM 0 H MET A 73 9.301 -4.093 1.491 1.00 0.00 H new ATOM 0 HA MET A 73 10.722 -3.160 -0.654 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.737 -3.667 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.537 -3.439 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.258 -5.624 0.082 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.152 -5.841 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.657 -7.561 -3.414 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.796 -7.945 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.951 -7.093 -3.218 1.00 0.00 H new ATOM 1050 N ILE A 74 8.522 -0.942 0.396 1.00 0.00 N ATOM 1051 CA ILE A 74 8.136 0.460 0.304 1.00 0.00 C ATOM 1052 C ILE A 74 9.298 1.376 0.673 1.00 0.00 C ATOM 1053 O ILE A 74 9.542 2.385 0.011 1.00 0.00 O ATOM 1054 CB ILE A 74 6.938 0.776 1.218 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.695 0.017 0.748 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.672 2.274 1.245 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.735 -0.322 1.867 1.00 0.00 C ATOM 0 H ILE A 74 8.029 -1.469 1.117 1.00 0.00 H new ATOM 0 HA ILE A 74 7.849 0.640 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 74 7.178 0.451 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.174 0.617 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.006 -0.904 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.822 2.481 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.553 2.793 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.450 2.622 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.878 -0.859 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.240 -0.948 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.394 0.597 2.345 1.00 0.00 H new ATOM 1069 N ARG A 75 10.014 1.016 1.734 1.00 0.00 N ATOM 1070 CA ARG A 75 11.151 1.804 2.191 1.00 0.00 C ATOM 1071 C ARG A 75 12.196 1.943 1.087 1.00 0.00 C ATOM 1072 O ARG A 75 12.870 2.968 0.981 1.00 0.00 O ATOM 1073 CB ARG A 75 11.782 1.159 3.427 1.00 0.00 C ATOM 1074 CG ARG A 75 10.976 1.362 4.699 1.00 0.00 C ATOM 1075 CD ARG A 75 11.639 0.692 5.892 1.00 0.00 C ATOM 1076 NE ARG A 75 11.203 1.273 7.158 1.00 0.00 N ATOM 1077 CZ ARG A 75 11.744 2.363 7.691 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.735 2.987 7.070 1.00 0.00 N ATOM 1079 NH2 ARG A 75 11.292 2.832 8.848 1.00 0.00 N ATOM 0 H ARG A 75 9.826 0.183 2.293 1.00 0.00 H new ATOM 0 HA ARG A 75 10.790 2.799 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.900 0.090 3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.781 1.570 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.865 2.429 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.973 0.957 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.409 -0.373 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.722 0.785 5.804 1.00 0.00 H new ATOM 0 HE ARG A 75 10.441 0.817 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.084 2.630 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.148 3.824 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.529 2.355 9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.708 3.669 9.257 1.00 0.00 H new ATOM 1093 N LYS A 76 12.324 0.906 0.268 1.00 0.00 N ATOM 1094 CA LYS A 76 13.285 0.911 -0.829 1.00 0.00 C ATOM 1095 C LYS A 76 12.722 1.643 -2.043 1.00 0.00 C ATOM 1096 O LYS A 76 13.309 1.615 -3.124 1.00 0.00 O ATOM 1097 CB LYS A 76 13.660 -0.523 -1.213 1.00 0.00 C ATOM 1098 CG LYS A 76 13.958 -1.414 -0.020 1.00 0.00 C ATOM 1099 CD LYS A 76 14.687 -2.680 -0.438 1.00 0.00 C ATOM 1100 CE LYS A 76 15.542 -3.230 0.694 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.984 -4.626 0.426 1.00 0.00 N ATOM 0 H LYS A 76 11.774 0.050 0.343 1.00 0.00 H new ATOM 0 HA LYS A 76 14.179 1.436 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.844 -0.961 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.533 -0.499 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.563 -0.866 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.026 -1.678 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.962 -3.433 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.317 -2.470 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.415 -2.593 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.975 -3.201 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.564 -4.965 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.151 -5.239 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.546 -4.650 -0.449 1.00 0.00 H new ATOM 1115 N GLY A 77 11.580 2.298 -1.856 1.00 0.00 N ATOM 1116 CA GLY A 77 10.958 3.029 -2.944 1.00 0.00 C ATOM 1117 C GLY A 77 11.753 4.255 -3.348 1.00 0.00 C ATOM 1118 O GLY A 77 11.711 4.679 -4.502 1.00 0.00 O ATOM 0 H GLY A 77 11.075 2.335 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.850 2.370 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.954 3.332 -2.647 1.00 0.00 H new ATOM 1122 N GLY A 78 12.480 4.829 -2.393 1.00 0.00 N ATOM 1123 CA GLY A 78 13.276 6.009 -2.675 1.00 0.00 C ATOM 1124 C GLY A 78 12.499 7.295 -2.470 1.00 0.00 C ATOM 1125 O GLY A 78 12.575 7.911 -1.407 1.00 0.00 O ATOM 0 H GLY A 78 12.531 4.498 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.155 6.013 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.634 5.965 -3.703 1.00 0.00 H new ATOM 1129 N ASP A 79 11.751 7.701 -3.490 1.00 0.00 N ATOM 1130 CA ASP A 79 10.958 8.922 -3.418 1.00 0.00 C ATOM 1131 C ASP A 79 9.484 8.629 -3.684 1.00 0.00 C ATOM 1132 O ASP A 79 8.605 9.353 -3.219 1.00 0.00 O ATOM 1133 CB ASP A 79 11.475 9.952 -4.424 1.00 0.00 C ATOM 1134 CG ASP A 79 12.824 10.520 -4.028 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.827 9.783 -4.119 1.00 0.00 O ATOM 1136 OD2 ASP A 79 12.875 11.702 -3.626 1.00 0.00 O ATOM 0 H ASP A 79 11.677 7.202 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 79 11.054 9.329 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.554 9.488 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.753 10.764 -4.512 1.00 0.00 H new ATOM 1141 N GLN A 80 9.224 7.564 -4.435 1.00 0.00 N ATOM 1142 CA GLN A 80 7.857 7.177 -4.764 1.00 0.00 C ATOM 1143 C GLN A 80 7.757 5.673 -4.991 1.00 0.00 C ATOM 1144 O GLN A 80 8.707 5.038 -5.450 1.00 0.00 O ATOM 1145 CB GLN A 80 7.378 7.926 -6.009 1.00 0.00 C ATOM 1146 CG GLN A 80 8.011 7.428 -7.299 1.00 0.00 C ATOM 1147 CD GLN A 80 7.590 8.241 -8.507 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.346 9.443 -8.406 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.502 7.587 -9.660 1.00 0.00 N ATOM 0 H GLN A 80 9.941 6.954 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 80 7.218 7.442 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.295 7.832 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.598 8.987 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.096 7.462 -7.203 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.737 6.385 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.714 6.590 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.223 8.082 -10.507 1.00 0.00 H new ATOM 1158 N THR A 81 6.599 5.106 -4.665 1.00 0.00 N ATOM 1159 CA THR A 81 6.375 3.675 -4.831 1.00 0.00 C ATOM 1160 C THR A 81 4.935 3.389 -5.242 1.00 0.00 C ATOM 1161 O THR A 81 4.013 4.111 -4.859 1.00 0.00 O ATOM 1162 CB THR A 81 6.691 2.903 -3.536 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.538 1.496 -3.756 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.777 3.347 -2.404 1.00 0.00 C ATOM 0 H THR A 81 5.802 5.616 -4.285 1.00 0.00 H new ATOM 0 HA THR A 81 7.049 3.338 -5.619 1.00 0.00 H new ATOM 0 HB THR A 81 7.722 3.117 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.742 1.011 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.019 2.788 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.917 4.412 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.739 3.159 -2.679 1.00 0.00 H new ATOM 1172 N THR A 82 4.747 2.329 -6.022 1.00 0.00 N ATOM 1173 CA THR A 82 3.419 1.947 -6.485 1.00 0.00 C ATOM 1174 C THR A 82 2.829 0.844 -5.614 1.00 0.00 C ATOM 1175 O THR A 82 3.503 -0.136 -5.296 1.00 0.00 O ATOM 1176 CB THR A 82 3.450 1.468 -7.949 1.00 0.00 C ATOM 1177 OG1 THR A 82 3.885 2.532 -8.803 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.077 0.986 -8.390 1.00 0.00 C ATOM 0 H THR A 82 5.498 1.720 -6.346 1.00 0.00 H new ATOM 0 HA THR A 82 2.792 2.836 -6.415 1.00 0.00 H new ATOM 0 HB THR A 82 4.150 0.635 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.904 2.219 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.124 0.653 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.762 0.157 -7.756 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.360 1.802 -8.303 1.00 0.00 H new ATOM 1186 N LEU A 83 1.567 1.010 -5.232 1.00 0.00 N ATOM 1187 CA LEU A 83 0.886 0.027 -4.397 1.00 0.00 C ATOM 1188 C LEU A 83 -0.258 -0.635 -5.159 1.00 0.00 C ATOM 1189 O LEU A 83 -0.962 0.016 -5.932 1.00 0.00 O ATOM 1190 CB LEU A 83 0.351 0.690 -3.127 1.00 0.00 C ATOM 1191 CG LEU A 83 1.156 1.879 -2.600 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.708 2.246 -1.194 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.645 1.566 -2.623 1.00 0.00 C ATOM 0 H LEU A 83 0.995 1.815 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 83 1.608 -0.742 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.669 1.023 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.299 -0.064 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 83 0.974 2.734 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.292 3.094 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.349 2.513 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.859 1.395 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.203 2.423 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.844 0.698 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.956 1.353 -3.646 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.439 -1.932 -4.934 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.500 -2.683 -5.598 1.00 0.00 C ATOM 1207 C LEU A 84 -2.432 -3.327 -4.577 1.00 0.00 C ATOM 1208 O LEU A 84 -2.111 -4.363 -3.994 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.899 -3.757 -6.507 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.895 -4.566 -7.338 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.575 -3.678 -8.369 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.198 -5.736 -8.016 1.00 0.00 C ATOM 0 H LEU A 84 0.135 -2.485 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.081 -1.987 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.195 -3.277 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.326 -4.448 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.659 -4.963 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.280 -4.271 -8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.109 -2.874 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.824 -3.252 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.922 -6.300 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.413 -5.361 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.759 -6.386 -7.259 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.589 -2.708 -4.365 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.569 -3.222 -3.417 1.00 0.00 C ATOM 1226 C VAL A 85 -5.788 -3.787 -4.139 1.00 0.00 C ATOM 1227 O VAL A 85 -6.039 -3.466 -5.301 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.029 -2.128 -2.435 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.844 -1.296 -1.971 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.090 -1.248 -3.078 1.00 0.00 C ATOM 0 H VAL A 85 -3.870 -1.849 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.080 -4.019 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.469 -2.609 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.188 -0.528 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.121 -1.940 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.372 -0.823 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.404 -0.480 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.678 -0.774 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.949 -1.858 -3.356 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.544 -4.628 -3.442 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.739 -5.238 -4.016 1.00 0.00 C ATOM 1242 C LEU A 86 -8.987 -4.446 -3.641 1.00 0.00 C ATOM 1243 O LEU A 86 -9.156 -4.041 -2.491 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.876 -6.685 -3.540 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.586 -7.643 -4.497 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.949 -7.094 -4.887 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.734 -7.889 -5.734 1.00 0.00 C ATOM 0 H LEU A 86 -6.351 -4.903 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.637 -5.228 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.879 -7.076 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.414 -6.685 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.733 -8.595 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.440 -7.789 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.560 -6.969 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.825 -6.129 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.255 -8.573 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.556 -6.944 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.781 -8.327 -5.438 1.00 0.00 H new