USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 5 CYS SG : rot 180:sc= -1.02 USER MOD Set 1.2: A 47 TYR OH : rot -23:sc= -0.0416 USER MOD Single : A 1 ASN : amide:sc= 1.61 K(o=1.6,f=-5.6!) USER MOD Single : A 1 ASN N :NH3+ 171:sc= 0.808 (180deg=0.683) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 0.552 (180deg=-0.835!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.057) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 12 MET CE :methyl -178:sc= 0 (180deg=-0.00604) USER MOD Single : A 13 THR OG1 : rot -57:sc= 0.707 USER MOD Single : A 16 SER OG : rot 62:sc= 0.0794 USER MOD Single : A 20 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.6) USER MOD Single : A 24 ASN : amide:sc= -8.59! C(o=-8.6!,f=-6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 46:sc= 1.19 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 137:sc= 0.914 (180deg=0.0725) USER MOD Single : A 48 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.6!) USER MOD Single : A 53 GLN : amide:sc= -0.888 K(o=-0.89,f=-0.32) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -43:sc= 0.253 USER MOD Single : A 73 ASN : amide:sc= 1.98 K(o=2,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -1.381 14.143 -11.383 1.00 3.82 N ATOM 2 CA ASN A 1 -1.350 12.675 -11.202 1.00 4.02 C ATOM 3 C ASN A 1 -1.494 12.214 -9.752 1.00 3.17 C ATOM 4 O ASN A 1 -2.020 11.131 -9.546 1.00 4.05 O ATOM 5 CB ASN A 1 -0.096 12.048 -11.827 1.00 5.11 C ATOM 6 CG ASN A 1 -0.107 12.238 -13.335 1.00 6.37 C ATOM 7 OD1 ASN A 1 -0.463 13.327 -13.785 1.00 6.01 O ATOM 8 ND2 ASN A 1 0.232 11.213 -14.110 1.00 8.16 N ATOM 0 H1 ASN A 1 -1.127 14.377 -12.364 1.00 3.82 H new ATOM 0 H2 ASN A 1 -2.337 14.498 -11.179 1.00 3.82 H new ATOM 0 H3 ASN A 1 -0.701 14.587 -10.733 1.00 3.82 H new ATOM 0 HA ASN A 1 -2.235 12.319 -11.730 1.00 4.02 H new ATOM 0 HB2 ASN A 1 0.798 12.505 -11.403 1.00 5.11 H new ATOM 0 HB3 ASN A 1 -0.055 10.985 -11.588 1.00 5.11 H new ATOM 0 HD21 ASN A 1 0.204 11.310 -15.125 1.00 8.16 H new ATOM 0 HD22 ASN A 1 0.521 10.330 -13.690 1.00 8.16 H new ATOM 17 N SER A 2 -1.006 12.965 -8.755 1.00 2.05 N ATOM 18 CA SER A 2 -0.773 12.442 -7.412 1.00 1.30 C ATOM 19 C SER A 2 -2.052 12.151 -6.608 1.00 1.17 C ATOM 20 O SER A 2 -2.417 12.892 -5.685 1.00 2.09 O ATOM 21 CB SER A 2 0.159 13.407 -6.690 1.00 1.76 C ATOM 22 OG SER A 2 -0.207 14.736 -7.021 1.00 2.47 O ATOM 0 H SER A 2 -0.764 13.950 -8.862 1.00 2.05 H new ATOM 0 HA SER A 2 -0.309 11.460 -7.506 1.00 1.30 H new ATOM 0 HB2 SER A 2 0.096 13.256 -5.612 1.00 1.76 H new ATOM 0 HB3 SER A 2 1.193 13.218 -6.978 1.00 1.76 H new ATOM 0 HG SER A 2 0.387 15.364 -6.559 1.00 2.47 H new ATOM 28 N SER A 3 -2.700 11.051 -6.964 1.00 0.72 N ATOM 29 CA SER A 3 -3.954 10.541 -6.440 1.00 0.79 C ATOM 30 C SER A 3 -3.713 9.579 -5.277 1.00 0.65 C ATOM 31 O SER A 3 -2.574 9.194 -4.998 1.00 0.62 O ATOM 32 CB SER A 3 -4.671 9.822 -7.594 1.00 1.23 C ATOM 33 OG SER A 3 -3.769 8.938 -8.235 1.00 2.21 O ATOM 0 H SER A 3 -2.327 10.441 -7.691 1.00 0.72 H new ATOM 0 HA SER A 3 -4.563 11.359 -6.055 1.00 0.79 H new ATOM 0 HB2 SER A 3 -5.530 9.269 -7.214 1.00 1.23 H new ATOM 0 HB3 SER A 3 -5.052 10.551 -8.309 1.00 1.23 H new ATOM 0 HG SER A 3 -4.227 8.479 -8.970 1.00 2.21 H new ATOM 39 N LYS A 4 -4.807 9.177 -4.622 1.00 0.89 N ATOM 40 CA LYS A 4 -4.849 8.071 -3.679 1.00 0.91 C ATOM 41 C LYS A 4 -5.608 6.914 -4.321 1.00 0.80 C ATOM 42 O LYS A 4 -6.417 7.159 -5.208 1.00 0.95 O ATOM 43 CB LYS A 4 -5.428 8.542 -2.323 1.00 1.36 C ATOM 44 CG LYS A 4 -6.515 7.630 -1.724 1.00 1.62 C ATOM 45 CD LYS A 4 -6.956 8.086 -0.327 1.00 2.48 C ATOM 46 CE LYS A 4 -8.096 7.173 0.150 1.00 3.45 C ATOM 47 NZ LYS A 4 -8.363 7.282 1.597 1.00 4.60 N ATOM 0 H LYS A 4 -5.712 9.631 -4.742 1.00 0.89 H new ATOM 0 HA LYS A 4 -3.848 7.707 -3.449 1.00 0.91 H new ATOM 0 HB2 LYS A 4 -4.611 8.626 -1.606 1.00 1.36 H new ATOM 0 HB3 LYS A 4 -5.844 9.541 -2.451 1.00 1.36 H new ATOM 0 HG2 LYS A 4 -7.379 7.615 -2.388 1.00 1.62 H new ATOM 0 HG3 LYS A 4 -6.138 6.609 -1.668 1.00 1.62 H new ATOM 0 HD2 LYS A 4 -6.118 8.039 0.368 1.00 2.48 H new ATOM 0 HD3 LYS A 4 -7.289 9.123 -0.355 1.00 2.48 H new ATOM 0 HE2 LYS A 4 -9.004 7.420 -0.400 1.00 3.45 H new ATOM 0 HE3 LYS A 4 -7.849 6.139 -0.090 1.00 3.45 H new ATOM 0 HZ1 LYS A 4 -8.977 6.498 1.897 1.00 4.60 H new ATOM 0 HZ2 LYS A 4 -7.465 7.237 2.120 1.00 4.60 H new ATOM 0 HZ3 LYS A 4 -8.835 8.187 1.796 1.00 4.60 H new ATOM 61 N CYS A 5 -5.354 5.685 -3.854 1.00 0.74 N ATOM 62 CA CYS A 5 -6.229 4.541 -4.077 1.00 0.80 C ATOM 63 C CYS A 5 -6.210 3.624 -2.856 1.00 0.81 C ATOM 64 O CYS A 5 -5.485 3.871 -1.887 1.00 0.83 O ATOM 65 CB CYS A 5 -5.917 3.797 -5.387 1.00 0.91 C ATOM 66 SG CYS A 5 -4.753 2.427 -5.165 1.00 2.06 S ATOM 0 H CYS A 5 -4.524 5.461 -3.305 1.00 0.74 H new ATOM 0 HA CYS A 5 -7.245 4.914 -4.203 1.00 0.80 H new ATOM 0 HB2 CYS A 5 -6.845 3.413 -5.810 1.00 0.91 H new ATOM 0 HB3 CYS A 5 -5.506 4.502 -6.109 1.00 0.91 H new ATOM 0 HG CYS A 5 -4.541 1.848 -6.309 1.00 2.06 H new ATOM 72 N TYR A 6 -7.049 2.588 -2.901 1.00 0.89 N ATOM 73 CA TYR A 6 -7.341 1.671 -1.815 1.00 0.89 C ATOM 74 C TYR A 6 -6.864 0.279 -2.221 1.00 0.89 C ATOM 75 O TYR A 6 -7.053 -0.112 -3.376 1.00 0.95 O ATOM 76 CB TYR A 6 -8.857 1.641 -1.588 1.00 0.89 C ATOM 77 CG TYR A 6 -9.521 2.993 -1.415 1.00 0.74 C ATOM 78 CD1 TYR A 6 -10.004 3.688 -2.540 1.00 2.31 C ATOM 79 CD2 TYR A 6 -9.731 3.523 -0.131 1.00 1.58 C ATOM 80 CE1 TYR A 6 -10.713 4.889 -2.378 1.00 2.85 C ATOM 81 CE2 TYR A 6 -10.497 4.690 0.032 1.00 1.55 C ATOM 82 CZ TYR A 6 -10.961 5.391 -1.093 1.00 1.81 C ATOM 83 OH TYR A 6 -11.586 6.589 -0.928 1.00 2.55 O ATOM 0 H TYR A 6 -7.569 2.359 -3.748 1.00 0.89 H new ATOM 0 HA TYR A 6 -6.839 1.987 -0.900 1.00 0.89 H new ATOM 0 HB2 TYR A 6 -9.323 1.133 -2.433 1.00 0.89 H new ATOM 0 HB3 TYR A 6 -9.062 1.040 -0.702 1.00 0.89 H new ATOM 0 HD1 TYR A 6 -9.829 3.296 -3.531 1.00 2.31 H new ATOM 0 HD2 TYR A 6 -9.303 3.033 0.731 1.00 1.58 H new ATOM 0 HE1 TYR A 6 -11.068 5.427 -3.245 1.00 2.85 H new ATOM 0 HE2 TYR A 6 -10.729 5.048 1.024 1.00 1.55 H new ATOM 0 HH TYR A 6 -11.677 6.782 0.029 1.00 2.55 H new ATOM 93 N ILE A 7 -6.272 -0.463 -1.281 1.00 0.90 N ATOM 94 CA ILE A 7 -5.780 -1.822 -1.504 1.00 0.90 C ATOM 95 C ILE A 7 -6.162 -2.733 -0.332 1.00 1.00 C ATOM 96 O ILE A 7 -5.758 -2.469 0.795 1.00 1.36 O ATOM 97 CB ILE A 7 -4.250 -1.833 -1.726 1.00 0.92 C ATOM 98 CG1 ILE A 7 -3.517 -0.761 -0.905 1.00 2.19 C ATOM 99 CG2 ILE A 7 -3.915 -1.655 -3.207 1.00 1.07 C ATOM 100 CD1 ILE A 7 -2.030 -1.078 -0.730 1.00 3.15 C ATOM 0 H ILE A 7 -6.120 -0.129 -0.329 1.00 0.90 H new ATOM 0 HA ILE A 7 -6.252 -2.205 -2.408 1.00 0.90 H new ATOM 0 HB ILE A 7 -3.902 -2.807 -1.381 1.00 0.92 H new ATOM 0 HG12 ILE A 7 -3.624 0.206 -1.396 1.00 2.19 H new ATOM 0 HG13 ILE A 7 -3.985 -0.674 0.075 1.00 2.19 H new ATOM 0 HG21 ILE A 7 -2.833 -1.666 -3.339 1.00 1.07 H new ATOM 0 HG22 ILE A 7 -4.359 -2.469 -3.781 1.00 1.07 H new ATOM 0 HG23 ILE A 7 -4.314 -0.703 -3.558 1.00 1.07 H new ATOM 0 HD11 ILE A 7 -1.557 -0.291 -0.143 1.00 3.15 H new ATOM 0 HD12 ILE A 7 -1.920 -2.032 -0.214 1.00 3.15 H new ATOM 0 HD13 ILE A 7 -1.553 -1.138 -1.708 1.00 3.15 H new ATOM 112 N GLN A 8 -6.876 -3.839 -0.565 1.00 0.90 N ATOM 113 CA GLN A 8 -7.102 -4.811 0.503 1.00 0.98 C ATOM 114 C GLN A 8 -5.840 -5.657 0.598 1.00 0.92 C ATOM 115 O GLN A 8 -5.330 -6.095 -0.436 1.00 0.98 O ATOM 116 CB GLN A 8 -8.297 -5.729 0.227 1.00 1.34 C ATOM 117 CG GLN A 8 -9.583 -4.961 -0.061 1.00 1.59 C ATOM 118 CD GLN A 8 -10.775 -5.894 -0.240 1.00 2.53 C ATOM 119 OE1 GLN A 8 -11.787 -5.755 0.439 1.00 3.13 O ATOM 120 NE2 GLN A 8 -10.674 -6.847 -1.162 1.00 3.76 N ATOM 0 H GLN A 8 -7.298 -4.078 -1.462 1.00 0.90 H new ATOM 0 HA GLN A 8 -7.324 -4.277 1.427 1.00 0.98 H new ATOM 0 HB2 GLN A 8 -8.066 -6.372 -0.622 1.00 1.34 H new ATOM 0 HB3 GLN A 8 -8.454 -6.381 1.087 1.00 1.34 H new ATOM 0 HG2 GLN A 8 -9.783 -4.269 0.757 1.00 1.59 H new ATOM 0 HG3 GLN A 8 -9.453 -4.361 -0.962 1.00 1.59 H new ATOM 0 HE21 GLN A 8 -9.819 -6.937 -1.711 1.00 3.76 H new ATOM 0 HE22 GLN A 8 -11.452 -7.488 -1.320 1.00 3.76 H new ATOM 129 N VAL A 9 -5.337 -5.851 1.820 1.00 0.90 N ATOM 130 CA VAL A 9 -4.102 -6.582 2.069 1.00 0.89 C ATOM 131 C VAL A 9 -4.424 -7.935 2.697 1.00 1.03 C ATOM 132 O VAL A 9 -5.041 -7.984 3.762 1.00 1.42 O ATOM 133 CB VAL A 9 -3.121 -5.753 2.919 1.00 1.02 C ATOM 134 CG1 VAL A 9 -2.420 -4.730 2.017 1.00 1.79 C ATOM 135 CG2 VAL A 9 -3.776 -5.034 4.108 1.00 2.11 C ATOM 0 H VAL A 9 -5.783 -5.500 2.668 1.00 0.90 H new ATOM 0 HA VAL A 9 -3.597 -6.766 1.121 1.00 0.89 H new ATOM 0 HB VAL A 9 -2.408 -6.455 3.350 1.00 1.02 H new ATOM 0 HG11 VAL A 9 -1.723 -4.138 2.611 1.00 1.79 H new ATOM 0 HG12 VAL A 9 -1.874 -5.252 1.231 1.00 1.79 H new ATOM 0 HG13 VAL A 9 -3.163 -4.072 1.567 1.00 1.79 H new ATOM 0 HG21 VAL A 9 -3.019 -4.473 4.656 1.00 2.11 H new ATOM 0 HG22 VAL A 9 -4.542 -4.350 3.742 1.00 2.11 H new ATOM 0 HG23 VAL A 9 -4.233 -5.769 4.771 1.00 2.11 H new ATOM 145 N THR A 10 -4.015 -9.029 2.046 1.00 1.08 N ATOM 146 CA THR A 10 -4.192 -10.389 2.540 1.00 1.37 C ATOM 147 C THR A 10 -3.366 -10.641 3.812 1.00 1.34 C ATOM 148 O THR A 10 -2.357 -11.342 3.787 1.00 1.85 O ATOM 149 CB THR A 10 -3.857 -11.381 1.417 1.00 1.69 C ATOM 150 OG1 THR A 10 -4.413 -10.909 0.206 1.00 2.46 O ATOM 151 CG2 THR A 10 -4.417 -12.778 1.704 1.00 1.95 C ATOM 0 H THR A 10 -3.543 -8.988 1.143 1.00 1.08 H new ATOM 0 HA THR A 10 -5.233 -10.535 2.828 1.00 1.37 H new ATOM 0 HB THR A 10 -2.772 -11.457 1.348 1.00 1.69 H new ATOM 0 HG1 THR A 10 -4.202 -11.536 -0.517 1.00 2.46 H new ATOM 0 HG21 THR A 10 -4.158 -13.449 0.885 1.00 1.95 H new ATOM 0 HG22 THR A 10 -3.991 -13.157 2.633 1.00 1.95 H new ATOM 0 HG23 THR A 10 -5.501 -12.723 1.798 1.00 1.95 H new ATOM 159 N GLY A 11 -3.819 -10.069 4.926 1.00 1.26 N ATOM 160 CA GLY A 11 -3.304 -10.276 6.269 1.00 1.39 C ATOM 161 C GLY A 11 -4.241 -9.542 7.217 1.00 1.98 C ATOM 162 O GLY A 11 -4.855 -10.160 8.083 1.00 3.37 O ATOM 0 H GLY A 11 -4.599 -9.412 4.910 1.00 1.26 H new ATOM 0 HA2 GLY A 11 -3.266 -11.339 6.509 1.00 1.39 H new ATOM 0 HA3 GLY A 11 -2.287 -9.893 6.357 1.00 1.39 H new ATOM 166 N MET A 12 -4.373 -8.224 7.018 1.00 1.61 N ATOM 167 CA MET A 12 -5.344 -7.337 7.657 1.00 2.18 C ATOM 168 C MET A 12 -5.110 -7.105 9.157 1.00 2.47 C ATOM 169 O MET A 12 -5.434 -6.037 9.668 1.00 3.26 O ATOM 170 CB MET A 12 -6.775 -7.809 7.364 1.00 2.75 C ATOM 171 CG MET A 12 -7.745 -6.622 7.377 1.00 2.39 C ATOM 172 SD MET A 12 -9.505 -7.052 7.370 1.00 3.30 S ATOM 173 CE MET A 12 -9.649 -7.864 5.763 1.00 4.17 C ATOM 0 H MET A 12 -3.768 -7.723 6.368 1.00 1.61 H new ATOM 0 HA MET A 12 -5.195 -6.355 7.208 1.00 2.18 H new ATOM 0 HB2 MET A 12 -6.809 -8.304 6.393 1.00 2.75 H new ATOM 0 HB3 MET A 12 -7.081 -8.545 8.108 1.00 2.75 H new ATOM 0 HG2 MET A 12 -7.540 -6.018 8.261 1.00 2.39 H new ATOM 0 HG3 MET A 12 -7.538 -5.997 6.508 1.00 2.39 H new ATOM 0 HE1 MET A 12 -10.686 -8.156 5.594 1.00 4.17 H new ATOM 0 HE2 MET A 12 -9.333 -7.176 4.978 1.00 4.17 H new ATOM 0 HE3 MET A 12 -9.015 -8.750 5.745 1.00 4.17 H new ATOM 183 N THR A 13 -4.600 -8.107 9.871 1.00 2.45 N ATOM 184 CA THR A 13 -4.265 -8.029 11.276 1.00 2.83 C ATOM 185 C THR A 13 -3.187 -9.078 11.569 1.00 2.33 C ATOM 186 O THR A 13 -3.343 -9.874 12.495 1.00 2.98 O ATOM 187 CB THR A 13 -5.545 -8.187 12.123 1.00 3.81 C ATOM 188 OG1 THR A 13 -5.233 -8.262 13.499 1.00 4.47 O ATOM 189 CG2 THR A 13 -6.379 -9.416 11.738 1.00 4.73 C ATOM 0 H THR A 13 -4.405 -9.023 9.466 1.00 2.45 H new ATOM 0 HA THR A 13 -3.851 -7.057 11.543 1.00 2.83 H new ATOM 0 HB THR A 13 -6.143 -7.299 11.918 1.00 3.81 H new ATOM 0 HG1 THR A 13 -4.609 -9.002 13.653 1.00 4.47 H new ATOM 0 HG21 THR A 13 -7.264 -9.468 12.372 1.00 4.73 H new ATOM 0 HG22 THR A 13 -6.684 -9.337 10.694 1.00 4.73 H new ATOM 0 HG23 THR A 13 -5.782 -10.318 11.874 1.00 4.73 H new ATOM 197 N CYS A 14 -2.085 -9.071 10.806 1.00 1.55 N ATOM 198 CA CYS A 14 -0.894 -9.801 11.227 1.00 1.29 C ATOM 199 C CYS A 14 -0.460 -9.270 12.599 1.00 1.45 C ATOM 200 O CYS A 14 -0.155 -10.044 13.502 1.00 2.70 O ATOM 201 CB CYS A 14 0.227 -9.741 10.177 1.00 1.45 C ATOM 202 SG CYS A 14 0.633 -8.054 9.656 1.00 2.38 S ATOM 0 H CYS A 14 -1.998 -8.579 9.917 1.00 1.55 H new ATOM 0 HA CYS A 14 -1.129 -10.861 11.319 1.00 1.29 H new ATOM 0 HB2 CYS A 14 1.121 -10.213 10.583 1.00 1.45 H new ATOM 0 HB3 CYS A 14 -0.071 -10.321 9.304 1.00 1.45 H new ATOM 207 N ALA A 15 -0.502 -7.938 12.727 1.00 1.41 N ATOM 208 CA ALA A 15 -0.413 -7.118 13.930 1.00 1.73 C ATOM 209 C ALA A 15 0.059 -5.738 13.499 1.00 2.05 C ATOM 210 O ALA A 15 -0.629 -4.740 13.693 1.00 3.89 O ATOM 211 CB ALA A 15 0.519 -7.702 15.001 1.00 2.10 C ATOM 0 H ALA A 15 -0.611 -7.352 11.900 1.00 1.41 H new ATOM 0 HA ALA A 15 -1.395 -7.078 14.401 1.00 1.73 H new ATOM 0 HB1 ALA A 15 0.537 -7.041 15.867 1.00 2.10 H new ATOM 0 HB2 ALA A 15 0.156 -8.685 15.302 1.00 2.10 H new ATOM 0 HB3 ALA A 15 1.526 -7.796 14.595 1.00 2.10 H new ATOM 217 N SER A 16 1.240 -5.681 12.892 1.00 1.27 N ATOM 218 CA SER A 16 1.904 -4.452 12.509 1.00 1.40 C ATOM 219 C SER A 16 1.684 -4.152 11.026 1.00 1.67 C ATOM 220 O SER A 16 2.601 -3.702 10.342 1.00 1.91 O ATOM 221 CB SER A 16 3.387 -4.622 12.833 1.00 1.93 C ATOM 222 OG SER A 16 3.802 -5.941 12.510 1.00 3.07 O ATOM 0 H SER A 16 1.772 -6.516 12.648 1.00 1.27 H new ATOM 0 HA SER A 16 1.494 -3.604 13.057 1.00 1.40 H new ATOM 0 HB2 SER A 16 3.977 -3.898 12.271 1.00 1.93 H new ATOM 0 HB3 SER A 16 3.563 -4.424 13.890 1.00 1.93 H new ATOM 0 HG SER A 16 3.680 -6.096 11.550 1.00 3.07 H new ATOM 228 N CYS A 17 0.462 -4.341 10.531 1.00 2.21 N ATOM 229 CA CYS A 17 0.133 -4.064 9.140 1.00 2.77 C ATOM 230 C CYS A 17 0.567 -2.639 8.815 1.00 2.27 C ATOM 231 O CYS A 17 1.316 -2.388 7.874 1.00 2.23 O ATOM 232 CB CYS A 17 -1.372 -4.214 8.902 1.00 3.61 C ATOM 233 SG CYS A 17 -1.954 -5.816 9.509 1.00 4.70 S ATOM 0 H CYS A 17 -0.322 -4.689 11.083 1.00 2.21 H new ATOM 0 HA CYS A 17 0.652 -4.774 8.496 1.00 2.77 H new ATOM 0 HB2 CYS A 17 -1.908 -3.411 9.408 1.00 3.61 H new ATOM 0 HB3 CYS A 17 -1.589 -4.121 7.838 1.00 3.61 H new ATOM 238 N VAL A 18 0.137 -1.696 9.645 1.00 2.02 N ATOM 239 CA VAL A 18 0.467 -0.308 9.407 1.00 1.76 C ATOM 240 C VAL A 18 1.954 -0.077 9.498 1.00 1.13 C ATOM 241 O VAL A 18 2.583 0.460 8.594 1.00 0.90 O ATOM 242 CB VAL A 18 -0.308 0.607 10.353 1.00 2.11 C ATOM 243 CG1 VAL A 18 -0.173 0.369 11.862 1.00 2.87 C ATOM 244 CG2 VAL A 18 0.024 2.045 9.958 1.00 3.62 C ATOM 0 H VAL A 18 -0.431 -1.869 10.474 1.00 2.02 H new ATOM 0 HA VAL A 18 0.165 -0.058 8.390 1.00 1.76 H new ATOM 0 HB VAL A 18 -1.362 0.365 10.216 1.00 2.11 H new ATOM 0 HG11 VAL A 18 -0.781 1.096 12.401 1.00 2.87 H new ATOM 0 HG12 VAL A 18 -0.513 -0.638 12.103 1.00 2.87 H new ATOM 0 HG13 VAL A 18 0.871 0.480 12.156 1.00 2.87 H new ATOM 0 HG21 VAL A 18 -0.511 2.734 10.611 1.00 3.62 H new ATOM 0 HG22 VAL A 18 1.097 2.211 10.056 1.00 3.62 H new ATOM 0 HG23 VAL A 18 -0.277 2.217 8.925 1.00 3.62 H new ATOM 254 N ALA A 19 2.500 -0.469 10.632 1.00 1.04 N ATOM 255 CA ALA A 19 3.893 -0.241 10.945 1.00 0.81 C ATOM 256 C ALA A 19 4.832 -0.863 9.921 1.00 0.87 C ATOM 257 O ALA A 19 5.888 -0.277 9.684 1.00 0.96 O ATOM 258 CB ALA A 19 4.161 -0.718 12.372 1.00 1.08 C ATOM 0 H ALA A 19 1.985 -0.957 11.365 1.00 1.04 H new ATOM 0 HA ALA A 19 4.101 0.828 10.891 1.00 0.81 H new ATOM 0 HB1 ALA A 19 5.209 -0.551 12.621 1.00 1.08 H new ATOM 0 HB2 ALA A 19 3.531 -0.162 13.066 1.00 1.08 H new ATOM 0 HB3 ALA A 19 3.935 -1.781 12.449 1.00 1.08 H new ATOM 264 N ASN A 20 4.468 -1.976 9.281 1.00 1.18 N ATOM 265 CA ASN A 20 5.236 -2.458 8.144 1.00 1.32 C ATOM 266 C ASN A 20 5.056 -1.468 6.988 1.00 1.11 C ATOM 267 O ASN A 20 6.035 -0.922 6.481 1.00 1.05 O ATOM 268 CB ASN A 20 4.880 -3.915 7.780 1.00 1.67 C ATOM 269 CG ASN A 20 4.160 -4.014 6.440 1.00 2.48 C ATOM 270 OD1 ASN A 20 4.791 -3.988 5.389 1.00 3.06 O ATOM 271 ND2 ASN A 20 2.837 -3.963 6.478 1.00 2.84 N ATOM 0 H ASN A 20 3.660 -2.548 9.529 1.00 1.18 H new ATOM 0 HA ASN A 20 6.296 -2.498 8.396 1.00 1.32 H new ATOM 0 HB2 ASN A 20 5.791 -4.512 7.746 1.00 1.67 H new ATOM 0 HB3 ASN A 20 4.250 -4.339 8.561 1.00 1.67 H new ATOM 0 HD21 ASN A 20 2.304 -3.899 5.611 1.00 2.84 H new ATOM 0 HD22 ASN A 20 2.351 -3.987 7.375 1.00 2.84 H new ATOM 278 N ILE A 21 3.809 -1.217 6.567 1.00 1.13 N ATOM 279 CA ILE A 21 3.555 -0.528 5.327 1.00 1.07 C ATOM 280 C ILE A 21 4.122 0.891 5.381 1.00 0.83 C ATOM 281 O ILE A 21 4.685 1.359 4.399 1.00 0.87 O ATOM 282 CB ILE A 21 2.081 -0.688 4.892 1.00 1.34 C ATOM 283 CG1 ILE A 21 1.892 -1.917 3.979 1.00 1.78 C ATOM 284 CG2 ILE A 21 1.503 0.540 4.185 1.00 1.61 C ATOM 285 CD1 ILE A 21 0.538 -2.597 4.201 1.00 1.97 C ATOM 0 H ILE A 21 2.969 -1.488 7.079 1.00 1.13 H new ATOM 0 HA ILE A 21 4.100 -0.992 4.505 1.00 1.07 H new ATOM 0 HB ILE A 21 1.533 -0.820 5.825 1.00 1.34 H new ATOM 0 HG12 ILE A 21 1.976 -1.610 2.937 1.00 1.78 H new ATOM 0 HG13 ILE A 21 2.692 -2.633 4.166 1.00 1.78 H new ATOM 0 HG21 ILE A 21 0.465 0.348 3.912 1.00 1.61 H new ATOM 0 HG22 ILE A 21 1.549 1.400 4.853 1.00 1.61 H new ATOM 0 HG23 ILE A 21 2.082 0.748 3.286 1.00 1.61 H new ATOM 0 HD11 ILE A 21 0.449 -3.457 3.537 1.00 1.97 H new ATOM 0 HD12 ILE A 21 0.463 -2.929 5.236 1.00 1.97 H new ATOM 0 HD13 ILE A 21 -0.264 -1.890 3.988 1.00 1.97 H new ATOM 297 N GLU A 22 4.074 1.551 6.534 1.00 0.69 N ATOM 298 CA GLU A 22 4.742 2.821 6.762 1.00 0.73 C ATOM 299 C GLU A 22 6.149 2.791 6.184 1.00 0.66 C ATOM 300 O GLU A 22 6.509 3.601 5.329 1.00 0.77 O ATOM 301 CB GLU A 22 4.751 3.148 8.247 1.00 0.97 C ATOM 302 CG GLU A 22 3.490 3.885 8.726 1.00 1.46 C ATOM 303 CD GLU A 22 3.833 4.500 10.077 1.00 2.53 C ATOM 304 OE1 GLU A 22 4.306 3.745 10.954 1.00 3.34 O ATOM 305 OE2 GLU A 22 3.851 5.754 10.123 1.00 3.38 O ATOM 0 H GLU A 22 3.561 1.210 7.347 1.00 0.69 H new ATOM 0 HA GLU A 22 4.193 3.612 6.250 1.00 0.73 H new ATOM 0 HB2 GLU A 22 4.857 2.223 8.813 1.00 0.97 H new ATOM 0 HB3 GLU A 22 5.625 3.760 8.470 1.00 0.97 H new ATOM 0 HG2 GLU A 22 3.197 4.655 8.013 1.00 1.46 H new ATOM 0 HG3 GLU A 22 2.649 3.197 8.816 1.00 1.46 H new ATOM 312 N ARG A 23 6.932 1.818 6.639 1.00 0.74 N ATOM 313 CA ARG A 23 8.267 1.629 6.096 1.00 1.08 C ATOM 314 C ARG A 23 8.193 1.257 4.610 1.00 1.17 C ATOM 315 O ARG A 23 8.955 1.790 3.803 1.00 1.45 O ATOM 316 CB ARG A 23 9.047 0.579 6.900 1.00 1.34 C ATOM 317 CG ARG A 23 9.558 1.100 8.254 1.00 1.41 C ATOM 318 CD ARG A 23 8.501 1.023 9.361 1.00 2.73 C ATOM 319 NE ARG A 23 8.662 2.044 10.412 1.00 3.33 N ATOM 320 CZ ARG A 23 7.623 2.620 11.049 1.00 4.80 C ATOM 321 NH1 ARG A 23 6.395 2.122 10.906 1.00 5.96 N ATOM 322 NH2 ARG A 23 7.798 3.703 11.812 1.00 5.67 N ATOM 0 H ARG A 23 6.668 1.159 7.371 1.00 0.74 H new ATOM 0 HA ARG A 23 8.809 2.571 6.181 1.00 1.08 H new ATOM 0 HB2 ARG A 23 8.406 -0.286 7.071 1.00 1.34 H new ATOM 0 HB3 ARG A 23 9.895 0.236 6.308 1.00 1.34 H new ATOM 0 HG2 ARG A 23 10.433 0.522 8.553 1.00 1.41 H new ATOM 0 HG3 ARG A 23 9.883 2.134 8.140 1.00 1.41 H new ATOM 0 HD2 ARG A 23 7.512 1.128 8.914 1.00 2.73 H new ATOM 0 HD3 ARG A 23 8.540 0.035 9.819 1.00 2.73 H new ATOM 0 HE ARG A 23 9.607 2.329 10.670 1.00 3.33 H new ATOM 0 HH11 ARG A 23 6.242 1.305 10.315 1.00 5.96 H new ATOM 0 HH12 ARG A 23 5.609 2.558 11.388 1.00 5.96 H new ATOM 0 HH21 ARG A 23 8.729 4.106 11.919 1.00 5.67 H new ATOM 0 HH22 ARG A 23 7.001 4.126 12.287 1.00 5.67 H new ATOM 336 N ASN A 24 7.287 0.341 4.251 1.00 1.15 N ATOM 337 CA ASN A 24 7.266 -0.276 2.935 1.00 1.48 C ATOM 338 C ASN A 24 7.076 0.755 1.833 1.00 1.36 C ATOM 339 O ASN A 24 7.711 0.657 0.792 1.00 1.84 O ATOM 340 CB ASN A 24 6.273 -1.453 2.893 1.00 1.76 C ATOM 341 CG ASN A 24 4.956 -1.290 2.115 1.00 2.65 C ATOM 342 OD1 ASN A 24 4.638 -2.146 1.298 1.00 3.94 O ATOM 343 ND2 ASN A 24 4.109 -0.284 2.366 1.00 2.91 N ATOM 0 H ASN A 24 6.549 0.011 4.872 1.00 1.15 H new ATOM 0 HA ASN A 24 8.244 -0.714 2.736 1.00 1.48 H new ATOM 0 HB2 ASN A 24 6.798 -2.312 2.475 1.00 1.76 H new ATOM 0 HB3 ASN A 24 6.018 -1.705 3.922 1.00 1.76 H new ATOM 0 HD21 ASN A 24 3.214 -0.238 1.880 1.00 2.91 H new ATOM 0 HD22 ASN A 24 4.359 0.436 3.043 1.00 2.91 H new ATOM 350 N LEU A 25 6.176 1.714 2.048 1.00 0.89 N ATOM 351 CA LEU A 25 5.907 2.829 1.186 1.00 0.73 C ATOM 352 C LEU A 25 6.924 3.975 1.345 1.00 0.85 C ATOM 353 O LEU A 25 7.410 4.500 0.349 1.00 1.20 O ATOM 354 CB LEU A 25 4.383 3.083 1.280 1.00 0.81 C ATOM 355 CG LEU A 25 3.739 2.439 0.041 1.00 1.52 C ATOM 356 CD1 LEU A 25 4.052 0.958 -0.245 1.00 1.40 C ATOM 357 CD2 LEU A 25 2.233 2.503 0.170 1.00 2.80 C ATOM 0 H LEU A 25 5.589 1.719 2.882 1.00 0.89 H new ATOM 0 HA LEU A 25 6.096 2.648 0.128 1.00 0.73 H new ATOM 0 HB2 LEU A 25 3.976 2.650 2.194 1.00 0.81 H new ATOM 0 HB3 LEU A 25 4.172 4.152 1.312 1.00 0.81 H new ATOM 0 HG LEU A 25 4.171 3.018 -0.775 1.00 1.52 H new ATOM 0 HD11 LEU A 25 3.529 0.643 -1.148 1.00 1.40 H new ATOM 0 HD12 LEU A 25 5.126 0.834 -0.386 1.00 1.40 H new ATOM 0 HD13 LEU A 25 3.723 0.348 0.596 1.00 1.40 H new ATOM 0 HD21 LEU A 25 1.773 2.047 -0.707 1.00 2.80 H new ATOM 0 HD22 LEU A 25 1.921 1.964 1.065 1.00 2.80 H new ATOM 0 HD23 LEU A 25 1.918 3.544 0.245 1.00 2.80 H new ATOM 369 N ARG A 26 7.322 4.376 2.559 1.00 0.93 N ATOM 370 CA ARG A 26 8.198 5.548 2.690 1.00 1.40 C ATOM 371 C ARG A 26 9.581 5.319 2.092 1.00 2.12 C ATOM 372 O ARG A 26 10.275 6.282 1.778 1.00 2.80 O ATOM 373 CB ARG A 26 8.316 5.982 4.145 1.00 1.38 C ATOM 374 CG ARG A 26 7.000 6.645 4.546 1.00 2.00 C ATOM 375 CD ARG A 26 6.993 6.768 6.083 1.00 2.93 C ATOM 376 NE ARG A 26 5.774 7.405 6.615 1.00 4.45 N ATOM 377 CZ ARG A 26 5.242 7.116 7.816 1.00 5.76 C ATOM 378 NH1 ARG A 26 5.956 6.475 8.741 1.00 5.75 N ATOM 379 NH2 ARG A 26 3.982 7.430 8.120 1.00 7.51 N ATOM 0 H ARG A 26 7.063 3.925 3.437 1.00 0.93 H new ATOM 0 HA ARG A 26 7.729 6.348 2.118 1.00 1.40 H new ATOM 0 HB2 ARG A 26 8.520 5.123 4.784 1.00 1.38 H new ATOM 0 HB3 ARG A 26 9.147 6.677 4.270 1.00 1.38 H new ATOM 0 HG2 ARG A 26 6.909 7.627 4.082 1.00 2.00 H new ATOM 0 HG3 ARG A 26 6.152 6.051 4.205 1.00 2.00 H new ATOM 0 HD2 ARG A 26 7.095 5.775 6.520 1.00 2.93 H new ATOM 0 HD3 ARG A 26 7.862 7.345 6.398 1.00 2.93 H new ATOM 0 HE ARG A 26 5.307 8.105 6.039 1.00 4.45 H new ATOM 0 HH11 ARG A 26 6.917 6.198 8.542 1.00 5.75 H new ATOM 0 HH12 ARG A 26 5.541 6.262 9.648 1.00 5.75 H new ATOM 0 HH21 ARG A 26 3.394 7.902 7.433 1.00 7.51 H new ATOM 0 HH22 ARG A 26 3.606 7.198 9.039 1.00 7.51 H new ATOM 393 N ARG A 27 9.956 4.052 1.936 1.00 2.38 N ATOM 394 CA ARG A 27 11.024 3.588 1.082 1.00 3.15 C ATOM 395 C ARG A 27 11.236 4.477 -0.148 1.00 2.81 C ATOM 396 O ARG A 27 12.310 5.059 -0.288 1.00 3.48 O ATOM 397 CB ARG A 27 10.612 2.165 0.670 1.00 3.87 C ATOM 398 CG ARG A 27 11.436 1.112 1.394 1.00 4.19 C ATOM 399 CD ARG A 27 12.753 1.013 0.611 1.00 4.70 C ATOM 400 NE ARG A 27 13.660 -0.027 1.102 1.00 5.87 N ATOM 401 CZ ARG A 27 14.770 -0.392 0.437 1.00 6.94 C ATOM 402 NH1 ARG A 27 15.115 0.220 -0.703 1.00 6.94 N ATOM 403 NH2 ARG A 27 15.536 -1.378 0.918 1.00 8.33 N ATOM 0 H ARG A 27 9.494 3.289 2.431 1.00 2.38 H new ATOM 0 HA ARG A 27 11.978 3.614 1.608 1.00 3.15 H new ATOM 0 HB2 ARG A 27 9.555 2.014 0.888 1.00 3.87 H new ATOM 0 HB3 ARG A 27 10.735 2.047 -0.407 1.00 3.87 H new ATOM 0 HG2 ARG A 27 11.616 1.398 2.430 1.00 4.19 H new ATOM 0 HG3 ARG A 27 10.918 0.153 1.414 1.00 4.19 H new ATOM 0 HD2 ARG A 27 12.527 0.818 -0.437 1.00 4.70 H new ATOM 0 HD3 ARG A 27 13.263 1.975 0.654 1.00 4.70 H new ATOM 0 HE ARG A 27 13.441 -0.492 1.983 1.00 5.87 H new ATOM 0 HH11 ARG A 27 14.534 0.971 -1.075 1.00 6.94 H new ATOM 0 HH12 ARG A 27 15.959 -0.065 -1.199 1.00 6.94 H new ATOM 0 HH21 ARG A 27 15.277 -1.849 1.785 1.00 8.33 H new ATOM 0 HH22 ARG A 27 16.379 -1.659 0.418 1.00 8.33 H new ATOM 417 N GLU A 28 10.216 4.555 -1.009 1.00 2.14 N ATOM 418 CA GLU A 28 10.253 4.949 -2.417 1.00 2.39 C ATOM 419 C GLU A 28 9.108 4.215 -3.097 1.00 2.61 C ATOM 420 O GLU A 28 8.413 3.465 -2.416 1.00 3.83 O ATOM 421 CB GLU A 28 11.605 4.641 -3.098 1.00 4.01 C ATOM 422 CG GLU A 28 11.908 3.138 -3.039 1.00 5.06 C ATOM 423 CD GLU A 28 13.400 2.832 -2.972 1.00 6.68 C ATOM 424 OE1 GLU A 28 14.127 3.355 -3.841 1.00 7.50 O ATOM 425 OE2 GLU A 28 13.791 2.072 -2.054 1.00 7.35 O ATOM 0 H GLU A 28 9.267 4.325 -0.713 1.00 2.14 H new ATOM 0 HA GLU A 28 10.143 6.030 -2.502 1.00 2.39 H new ATOM 0 HB2 GLU A 28 11.579 4.972 -4.136 1.00 4.01 H new ATOM 0 HB3 GLU A 28 12.402 5.198 -2.605 1.00 4.01 H new ATOM 0 HG2 GLU A 28 11.415 2.708 -2.167 1.00 5.06 H new ATOM 0 HG3 GLU A 28 11.483 2.653 -3.917 1.00 5.06 H new ATOM 432 N GLU A 29 8.927 4.492 -4.396 1.00 2.55 N ATOM 433 CA GLU A 29 7.798 4.165 -5.269 1.00 3.45 C ATOM 434 C GLU A 29 6.891 5.375 -5.483 1.00 2.41 C ATOM 435 O GLU A 29 5.683 5.244 -5.669 1.00 2.78 O ATOM 436 CB GLU A 29 7.000 2.940 -4.815 1.00 4.93 C ATOM 437 CG GLU A 29 7.792 1.629 -4.808 1.00 5.94 C ATOM 438 CD GLU A 29 7.022 0.555 -4.048 1.00 7.61 C ATOM 439 OE1 GLU A 29 5.784 0.507 -4.220 1.00 8.42 O ATOM 440 OE2 GLU A 29 7.689 -0.222 -3.332 1.00 8.54 O ATOM 0 H GLU A 29 9.644 5.003 -4.911 1.00 2.55 H new ATOM 0 HA GLU A 29 8.237 3.890 -6.228 1.00 3.45 H new ATOM 0 HB2 GLU A 29 6.618 3.124 -3.811 1.00 4.93 H new ATOM 0 HB3 GLU A 29 6.136 2.823 -5.469 1.00 4.93 H new ATOM 0 HG2 GLU A 29 7.975 1.301 -5.831 1.00 5.94 H new ATOM 0 HG3 GLU A 29 8.766 1.786 -4.344 1.00 5.94 H new ATOM 447 N GLY A 30 7.475 6.574 -5.482 1.00 1.73 N ATOM 448 CA GLY A 30 6.726 7.794 -5.718 1.00 0.99 C ATOM 449 C GLY A 30 5.565 7.941 -4.739 1.00 0.82 C ATOM 450 O GLY A 30 4.485 8.378 -5.138 1.00 0.84 O ATOM 0 H GLY A 30 8.471 6.719 -5.319 1.00 1.73 H new ATOM 0 HA2 GLY A 30 7.391 8.653 -5.626 1.00 0.99 H new ATOM 0 HA3 GLY A 30 6.344 7.795 -6.739 1.00 0.99 H new ATOM 454 N ILE A 31 5.807 7.640 -3.458 1.00 0.81 N ATOM 455 CA ILE A 31 4.798 7.809 -2.413 1.00 0.73 C ATOM 456 C ILE A 31 4.623 9.285 -2.089 1.00 0.65 C ATOM 457 O ILE A 31 5.614 10.009 -2.002 1.00 0.90 O ATOM 458 CB ILE A 31 5.306 7.120 -1.131 1.00 1.05 C ATOM 459 CG1 ILE A 31 4.924 5.648 -1.165 1.00 1.40 C ATOM 460 CG2 ILE A 31 4.768 7.666 0.196 1.00 1.87 C ATOM 461 CD1 ILE A 31 5.860 4.882 -2.067 1.00 2.20 C ATOM 0 H ILE A 31 6.699 7.276 -3.122 1.00 0.81 H new ATOM 0 HA ILE A 31 3.855 7.384 -2.757 1.00 0.73 H new ATOM 0 HB ILE A 31 6.379 7.309 -1.145 1.00 1.05 H new ATOM 0 HG12 ILE A 31 4.959 5.233 -0.158 1.00 1.40 H new ATOM 0 HG13 ILE A 31 3.899 5.540 -1.519 1.00 1.40 H new ATOM 0 HG21 ILE A 31 5.198 7.101 1.023 1.00 1.87 H new ATOM 0 HG22 ILE A 31 5.041 8.717 0.294 1.00 1.87 H new ATOM 0 HG23 ILE A 31 3.682 7.569 0.216 1.00 1.87 H new ATOM 0 HD11 ILE A 31 5.573 3.831 -2.080 1.00 2.20 H new ATOM 0 HD12 ILE A 31 5.804 5.286 -3.078 1.00 2.20 H new ATOM 0 HD13 ILE A 31 6.881 4.975 -1.696 1.00 2.20 H new ATOM 473 N TYR A 32 3.377 9.708 -1.818 1.00 0.58 N ATOM 474 CA TYR A 32 3.167 10.947 -1.068 1.00 0.77 C ATOM 475 C TYR A 32 1.936 10.911 -0.151 1.00 0.79 C ATOM 476 O TYR A 32 1.230 11.900 0.046 1.00 0.97 O ATOM 477 CB TYR A 32 2.954 12.078 -2.068 1.00 1.05 C ATOM 478 CG TYR A 32 4.067 12.304 -3.074 1.00 1.43 C ATOM 479 CD1 TYR A 32 5.184 13.085 -2.727 1.00 2.15 C ATOM 480 CD2 TYR A 32 4.062 11.592 -4.289 1.00 3.11 C ATOM 481 CE1 TYR A 32 6.306 13.122 -3.573 1.00 2.67 C ATOM 482 CE2 TYR A 32 5.204 11.588 -5.106 1.00 3.64 C ATOM 483 CZ TYR A 32 6.332 12.340 -4.738 1.00 2.87 C ATOM 484 OH TYR A 32 7.451 12.323 -5.517 1.00 3.69 O ATOM 0 H TYR A 32 2.525 9.223 -2.100 1.00 0.58 H new ATOM 0 HA TYR A 32 4.046 11.088 -0.439 1.00 0.77 H new ATOM 0 HB2 TYR A 32 2.032 11.881 -2.616 1.00 1.05 H new ATOM 0 HB3 TYR A 32 2.803 13.003 -1.511 1.00 1.05 H new ATOM 0 HD1 TYR A 32 5.180 13.656 -1.811 1.00 2.15 H new ATOM 0 HD2 TYR A 32 3.179 11.049 -4.593 1.00 3.11 H new ATOM 0 HE1 TYR A 32 7.148 13.752 -3.326 1.00 2.67 H new ATOM 0 HE2 TYR A 32 5.215 11.007 -6.017 1.00 3.64 H new ATOM 0 HH TYR A 32 7.306 11.732 -6.285 1.00 3.69 H new ATOM 494 N SER A 33 1.766 9.783 0.511 1.00 0.74 N ATOM 495 CA SER A 33 1.464 9.491 1.912 1.00 1.03 C ATOM 496 C SER A 33 1.713 7.984 2.042 1.00 1.06 C ATOM 497 O SER A 33 1.588 7.298 1.028 1.00 1.07 O ATOM 498 CB SER A 33 0.017 9.839 2.281 1.00 1.17 C ATOM 499 OG SER A 33 -0.187 11.237 2.285 1.00 2.30 O ATOM 0 H SER A 33 1.850 8.906 -0.002 1.00 0.74 H new ATOM 0 HA SER A 33 2.078 10.086 2.588 1.00 1.03 H new ATOM 0 HB2 SER A 33 -0.665 9.371 1.571 1.00 1.17 H new ATOM 0 HB3 SER A 33 -0.218 9.432 3.264 1.00 1.17 H new ATOM 0 HG SER A 33 0.207 11.627 1.477 1.00 2.30 H new ATOM 505 N ILE A 34 1.969 7.422 3.228 1.00 1.20 N ATOM 506 CA ILE A 34 1.681 6.019 3.426 1.00 1.04 C ATOM 507 C ILE A 34 0.500 5.999 4.366 1.00 1.85 C ATOM 508 O ILE A 34 0.357 6.873 5.222 1.00 2.56 O ATOM 509 CB ILE A 34 2.866 5.254 3.997 1.00 1.14 C ATOM 510 CG1 ILE A 34 2.412 3.841 4.411 1.00 2.09 C ATOM 511 CG2 ILE A 34 3.607 6.028 5.085 1.00 1.29 C ATOM 512 CD1 ILE A 34 1.655 3.694 5.754 1.00 2.25 C ATOM 0 H ILE A 34 2.362 7.907 4.034 1.00 1.20 H new ATOM 0 HA ILE A 34 1.466 5.520 2.481 1.00 1.04 H new ATOM 0 HB ILE A 34 3.621 5.135 3.220 1.00 1.14 H new ATOM 0 HG12 ILE A 34 1.772 3.449 3.620 1.00 2.09 H new ATOM 0 HG13 ILE A 34 3.295 3.203 4.452 1.00 2.09 H new ATOM 0 HG21 ILE A 34 4.441 5.430 5.453 1.00 1.29 H new ATOM 0 HG22 ILE A 34 3.985 6.964 4.673 1.00 1.29 H new ATOM 0 HG23 ILE A 34 2.925 6.243 5.907 1.00 1.29 H new ATOM 0 HD11 ILE A 34 1.398 2.647 5.914 1.00 2.25 H new ATOM 0 HD12 ILE A 34 2.290 4.041 6.569 1.00 2.25 H new ATOM 0 HD13 ILE A 34 0.743 4.291 5.725 1.00 2.25 H new ATOM 524 N LEU A 35 -0.353 5.016 4.137 1.00 2.00 N ATOM 525 CA LEU A 35 -1.669 4.896 4.694 1.00 2.80 C ATOM 526 C LEU A 35 -1.932 3.425 4.855 1.00 1.79 C ATOM 527 O LEU A 35 -1.484 2.606 4.060 1.00 1.83 O ATOM 528 CB LEU A 35 -2.720 5.425 3.725 1.00 4.00 C ATOM 529 CG LEU A 35 -2.209 6.628 2.972 1.00 5.38 C ATOM 530 CD1 LEU A 35 -1.370 6.163 1.763 1.00 5.78 C ATOM 531 CD2 LEU A 35 -3.357 7.498 2.475 1.00 6.56 C ATOM 0 H LEU A 35 -0.121 4.239 3.519 1.00 2.00 H new ATOM 0 HA LEU A 35 -1.723 5.454 5.629 1.00 2.80 H new ATOM 0 HB2 LEU A 35 -2.996 4.641 3.020 1.00 4.00 H new ATOM 0 HB3 LEU A 35 -3.623 5.692 4.274 1.00 4.00 H new ATOM 0 HG LEU A 35 -1.596 7.218 3.654 1.00 5.38 H new ATOM 0 HD11 LEU A 35 -1.001 7.033 1.220 1.00 5.78 H new ATOM 0 HD12 LEU A 35 -0.526 5.569 2.113 1.00 5.78 H new ATOM 0 HD13 LEU A 35 -1.990 5.558 1.101 1.00 5.78 H new ATOM 0 HD21 LEU A 35 -2.956 8.357 1.936 1.00 6.56 H new ATOM 0 HD22 LEU A 35 -3.992 6.916 1.808 1.00 6.56 H new ATOM 0 HD23 LEU A 35 -3.945 7.845 3.325 1.00 6.56 H new ATOM 543 N VAL A 36 -2.707 3.130 5.872 1.00 1.33 N ATOM 544 CA VAL A 36 -3.204 1.825 6.181 1.00 0.69 C ATOM 545 C VAL A 36 -4.459 2.062 7.016 1.00 0.97 C ATOM 546 O VAL A 36 -4.419 2.286 8.224 1.00 2.11 O ATOM 547 CB VAL A 36 -2.101 0.934 6.790 1.00 0.98 C ATOM 548 CG1 VAL A 36 -2.644 0.019 7.871 1.00 1.42 C ATOM 549 CG2 VAL A 36 -1.461 -0.008 5.764 1.00 1.21 C ATOM 0 H VAL A 36 -3.020 3.837 6.537 1.00 1.33 H new ATOM 0 HA VAL A 36 -3.492 1.236 5.310 1.00 0.69 H new ATOM 0 HB VAL A 36 -1.373 1.645 7.180 1.00 0.98 H new ATOM 0 HG11 VAL A 36 -1.834 -0.590 8.272 1.00 1.42 H new ATOM 0 HG12 VAL A 36 -3.078 0.619 8.671 1.00 1.42 H new ATOM 0 HG13 VAL A 36 -3.411 -0.630 7.447 1.00 1.42 H new ATOM 0 HG21 VAL A 36 -0.693 -0.609 6.251 1.00 1.21 H new ATOM 0 HG22 VAL A 36 -2.225 -0.664 5.347 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -1.010 0.578 4.964 1.00 1.21 H new ATOM 559 N ALA A 37 -5.601 2.038 6.342 1.00 0.66 N ATOM 560 CA ALA A 37 -6.894 2.168 6.995 1.00 0.69 C ATOM 561 C ALA A 37 -7.265 0.834 7.665 1.00 0.68 C ATOM 562 O ALA A 37 -8.255 0.188 7.313 1.00 0.66 O ATOM 563 CB ALA A 37 -7.939 2.600 5.960 1.00 0.70 C ATOM 0 H ALA A 37 -5.656 1.928 5.329 1.00 0.66 H new ATOM 0 HA ALA A 37 -6.856 2.930 7.773 1.00 0.69 H new ATOM 0 HB1 ALA A 37 -8.911 2.699 6.444 1.00 0.70 H new ATOM 0 HB2 ALA A 37 -7.649 3.558 5.528 1.00 0.70 H new ATOM 0 HB3 ALA A 37 -8.001 1.850 5.171 1.00 0.70 H new ATOM 569 N LEU A 38 -6.493 0.453 8.694 1.00 0.81 N ATOM 570 CA LEU A 38 -6.781 -0.715 9.526 1.00 0.98 C ATOM 571 C LEU A 38 -8.208 -0.653 10.076 1.00 1.19 C ATOM 572 O LEU A 38 -8.886 -1.673 10.133 1.00 1.47 O ATOM 573 CB LEU A 38 -5.750 -0.882 10.663 1.00 1.34 C ATOM 574 CG LEU A 38 -4.498 -1.692 10.303 1.00 1.65 C ATOM 575 CD1 LEU A 38 -3.717 -2.000 11.588 1.00 2.44 C ATOM 576 CD2 LEU A 38 -4.851 -2.995 9.576 1.00 2.64 C ATOM 0 H LEU A 38 -5.648 0.952 8.970 1.00 0.81 H new ATOM 0 HA LEU A 38 -6.699 -1.597 8.890 1.00 0.98 H new ATOM 0 HB2 LEU A 38 -5.438 0.108 10.996 1.00 1.34 H new ATOM 0 HB3 LEU A 38 -6.242 -1.362 11.509 1.00 1.34 H new ATOM 0 HG LEU A 38 -3.887 -1.098 9.623 1.00 1.65 H new ATOM 0 HD11 LEU A 38 -2.825 -2.576 11.342 1.00 2.44 H new ATOM 0 HD12 LEU A 38 -3.425 -1.066 12.069 1.00 2.44 H new ATOM 0 HD13 LEU A 38 -4.346 -2.577 12.266 1.00 2.44 H new ATOM 0 HD21 LEU A 38 -3.936 -3.539 9.339 1.00 2.64 H new ATOM 0 HD22 LEU A 38 -5.483 -3.610 10.217 1.00 2.64 H new ATOM 0 HD23 LEU A 38 -5.385 -2.764 8.654 1.00 2.64 H new ATOM 588 N MET A 39 -8.682 0.549 10.416 1.00 1.26 N ATOM 589 CA MET A 39 -10.061 0.789 10.827 1.00 1.57 C ATOM 590 C MET A 39 -11.066 0.207 9.821 1.00 1.48 C ATOM 591 O MET A 39 -12.102 -0.321 10.218 1.00 1.76 O ATOM 592 CB MET A 39 -10.259 2.303 11.006 1.00 1.83 C ATOM 593 CG MET A 39 -11.624 2.660 11.610 1.00 3.05 C ATOM 594 SD MET A 39 -11.904 2.062 13.298 1.00 3.27 S ATOM 595 CE MET A 39 -13.584 2.666 13.569 1.00 5.09 C ATOM 0 H MET A 39 -8.108 1.392 10.412 1.00 1.26 H new ATOM 0 HA MET A 39 -10.248 0.280 11.772 1.00 1.57 H new ATOM 0 HB2 MET A 39 -9.470 2.694 11.648 1.00 1.83 H new ATOM 0 HB3 MET A 39 -10.156 2.795 10.039 1.00 1.83 H new ATOM 0 HG2 MET A 39 -11.733 3.744 11.603 1.00 3.05 H new ATOM 0 HG3 MET A 39 -12.405 2.257 10.965 1.00 3.05 H new ATOM 0 HE1 MET A 39 -13.916 2.383 14.568 1.00 5.09 H new ATOM 0 HE2 MET A 39 -13.600 3.752 13.475 1.00 5.09 H new ATOM 0 HE3 MET A 39 -14.252 2.228 12.827 1.00 5.09 H new ATOM 605 N ALA A 40 -10.778 0.328 8.520 1.00 1.32 N ATOM 606 CA ALA A 40 -11.620 -0.200 7.455 1.00 1.34 C ATOM 607 C ALA A 40 -11.248 -1.647 7.112 1.00 1.19 C ATOM 608 O ALA A 40 -12.068 -2.377 6.563 1.00 1.61 O ATOM 609 CB ALA A 40 -11.504 0.703 6.224 1.00 1.34 C ATOM 0 H ALA A 40 -9.942 0.802 8.179 1.00 1.32 H new ATOM 0 HA ALA A 40 -12.655 -0.210 7.797 1.00 1.34 H new ATOM 0 HB1 ALA A 40 -12.133 0.311 5.425 1.00 1.34 H new ATOM 0 HB2 ALA A 40 -11.829 1.711 6.480 1.00 1.34 H new ATOM 0 HB3 ALA A 40 -10.467 0.731 5.889 1.00 1.34 H new ATOM 615 N GLY A 41 -10.009 -2.050 7.402 1.00 0.82 N ATOM 616 CA GLY A 41 -9.505 -3.395 7.159 1.00 0.88 C ATOM 617 C GLY A 41 -8.911 -3.488 5.765 1.00 0.75 C ATOM 618 O GLY A 41 -9.119 -4.466 5.050 1.00 0.86 O ATOM 0 H GLY A 41 -9.315 -1.432 7.822 1.00 0.82 H new ATOM 0 HA2 GLY A 41 -8.749 -3.648 7.902 1.00 0.88 H new ATOM 0 HA3 GLY A 41 -10.313 -4.119 7.267 1.00 0.88 H new ATOM 622 N LYS A 42 -8.169 -2.458 5.365 1.00 0.64 N ATOM 623 CA LYS A 42 -7.495 -2.419 4.090 1.00 0.82 C ATOM 624 C LYS A 42 -6.327 -1.454 4.209 1.00 0.72 C ATOM 625 O LYS A 42 -6.330 -0.587 5.083 1.00 0.64 O ATOM 626 CB LYS A 42 -8.484 -2.027 2.986 1.00 1.27 C ATOM 627 CG LYS A 42 -9.237 -0.715 3.243 1.00 1.32 C ATOM 628 CD LYS A 42 -10.141 -0.423 2.037 1.00 1.76 C ATOM 629 CE LYS A 42 -10.923 0.885 2.224 1.00 2.69 C ATOM 630 NZ LYS A 42 -11.728 1.228 1.031 1.00 3.67 N ATOM 0 H LYS A 42 -8.023 -1.622 5.931 1.00 0.64 H new ATOM 0 HA LYS A 42 -7.105 -3.399 3.815 1.00 0.82 H new ATOM 0 HB2 LYS A 42 -7.942 -1.942 2.044 1.00 1.27 H new ATOM 0 HB3 LYS A 42 -9.211 -2.830 2.864 1.00 1.27 H new ATOM 0 HG2 LYS A 42 -9.833 -0.793 4.152 1.00 1.32 H new ATOM 0 HG3 LYS A 42 -8.532 0.102 3.394 1.00 1.32 H new ATOM 0 HD2 LYS A 42 -9.535 -0.360 1.133 1.00 1.76 H new ATOM 0 HD3 LYS A 42 -10.839 -1.248 1.896 1.00 1.76 H new ATOM 0 HE2 LYS A 42 -11.579 0.794 3.090 1.00 2.69 H new ATOM 0 HE3 LYS A 42 -10.226 1.696 2.436 1.00 2.69 H new ATOM 0 HZ1 LYS A 42 -12.669 1.556 1.330 1.00 3.67 H new ATOM 0 HZ2 LYS A 42 -11.252 1.982 0.496 1.00 3.67 H new ATOM 0 HZ3 LYS A 42 -11.830 0.387 0.428 1.00 3.67 H new ATOM 644 N ALA A 43 -5.340 -1.602 3.333 1.00 1.42 N ATOM 645 CA ALA A 43 -4.276 -0.633 3.206 1.00 1.28 C ATOM 646 C ALA A 43 -4.745 0.496 2.289 1.00 1.26 C ATOM 647 O ALA A 43 -5.735 0.352 1.562 1.00 1.27 O ATOM 648 CB ALA A 43 -2.998 -1.317 2.717 1.00 1.38 C ATOM 0 H ALA A 43 -5.261 -2.396 2.697 1.00 1.42 H new ATOM 0 HA ALA A 43 -4.034 -0.192 4.173 1.00 1.28 H new ATOM 0 HB1 ALA A 43 -2.202 -0.578 2.625 1.00 1.38 H new ATOM 0 HB2 ALA A 43 -2.700 -2.084 3.432 1.00 1.38 H new ATOM 0 HB3 ALA A 43 -3.180 -1.777 1.746 1.00 1.38 H new ATOM 654 N GLU A 44 -4.033 1.624 2.320 1.00 1.35 N ATOM 655 CA GLU A 44 -4.295 2.734 1.425 1.00 1.38 C ATOM 656 C GLU A 44 -2.976 3.192 0.789 1.00 1.59 C ATOM 657 O GLU A 44 -1.911 2.923 1.338 1.00 2.66 O ATOM 658 CB GLU A 44 -5.095 3.831 2.138 1.00 1.56 C ATOM 659 CG GLU A 44 -6.608 3.582 2.153 1.00 1.65 C ATOM 660 CD GLU A 44 -7.358 4.821 2.616 1.00 1.70 C ATOM 661 OE1 GLU A 44 -6.702 5.839 2.931 1.00 2.34 O ATOM 662 OE2 GLU A 44 -8.604 4.849 2.503 1.00 2.60 O ATOM 0 H GLU A 44 -3.262 1.786 2.968 1.00 1.35 H new ATOM 0 HA GLU A 44 -4.937 2.427 0.599 1.00 1.38 H new ATOM 0 HB2 GLU A 44 -4.740 3.917 3.165 1.00 1.56 H new ATOM 0 HB3 GLU A 44 -4.898 4.786 1.651 1.00 1.56 H new ATOM 0 HG2 GLU A 44 -6.944 3.301 1.155 1.00 1.65 H new ATOM 0 HG3 GLU A 44 -6.836 2.746 2.814 1.00 1.65 H new ATOM 669 N VAL A 45 -3.027 3.865 -0.365 1.00 0.80 N ATOM 670 CA VAL A 45 -1.851 4.476 -0.986 1.00 0.76 C ATOM 671 C VAL A 45 -2.198 5.887 -1.451 1.00 0.74 C ATOM 672 O VAL A 45 -3.313 6.107 -1.920 1.00 0.85 O ATOM 673 CB VAL A 45 -1.309 3.625 -2.137 1.00 0.75 C ATOM 674 CG1 VAL A 45 -0.653 2.361 -1.600 1.00 2.60 C ATOM 675 CG2 VAL A 45 -2.396 3.216 -3.119 1.00 2.66 C ATOM 0 H VAL A 45 -3.888 4.001 -0.895 1.00 0.80 H new ATOM 0 HA VAL A 45 -1.056 4.533 -0.243 1.00 0.76 H new ATOM 0 HB VAL A 45 -0.581 4.245 -2.661 1.00 0.75 H new ATOM 0 HG11 VAL A 45 -0.273 1.767 -2.431 1.00 2.60 H new ATOM 0 HG12 VAL A 45 0.171 2.631 -0.940 1.00 2.60 H new ATOM 0 HG13 VAL A 45 -1.387 1.778 -1.044 1.00 2.60 H new ATOM 0 HG21 VAL A 45 -1.959 2.614 -3.916 1.00 2.66 H new ATOM 0 HG22 VAL A 45 -3.156 2.633 -2.599 1.00 2.66 H new ATOM 0 HG23 VAL A 45 -2.854 4.108 -3.547 1.00 2.66 H new ATOM 685 N ARG A 46 -1.253 6.828 -1.316 1.00 0.79 N ATOM 686 CA ARG A 46 -1.234 8.064 -2.078 1.00 0.76 C ATOM 687 C ARG A 46 0.138 8.155 -2.716 1.00 0.74 C ATOM 688 O ARG A 46 1.146 8.003 -2.028 1.00 0.76 O ATOM 689 CB ARG A 46 -1.560 9.314 -1.253 1.00 0.72 C ATOM 690 CG ARG A 46 -1.944 10.416 -2.250 1.00 1.01 C ATOM 691 CD ARG A 46 -1.943 11.834 -1.688 1.00 1.29 C ATOM 692 NE ARG A 46 -2.198 12.776 -2.791 1.00 2.78 N ATOM 693 CZ ARG A 46 -2.176 14.112 -2.704 1.00 3.86 C ATOM 694 NH1 ARG A 46 -1.912 14.707 -1.536 1.00 3.76 N ATOM 695 NH2 ARG A 46 -2.420 14.823 -3.807 1.00 5.52 N ATOM 0 H ARG A 46 -0.474 6.742 -0.663 1.00 0.79 H new ATOM 0 HA ARG A 46 -2.026 8.036 -2.826 1.00 0.76 H new ATOM 0 HB2 ARG A 46 -2.378 9.117 -0.560 1.00 0.72 H new ATOM 0 HB3 ARG A 46 -0.701 9.617 -0.654 1.00 0.72 H new ATOM 0 HG2 ARG A 46 -1.254 10.377 -3.093 1.00 1.01 H new ATOM 0 HG3 ARG A 46 -2.938 10.199 -2.641 1.00 1.01 H new ATOM 0 HD2 ARG A 46 -2.708 11.937 -0.918 1.00 1.29 H new ATOM 0 HD3 ARG A 46 -0.985 12.054 -1.217 1.00 1.29 H new ATOM 0 HE ARG A 46 -2.411 12.374 -3.704 1.00 2.78 H new ATOM 0 HH11 ARG A 46 -1.726 14.143 -0.707 1.00 3.76 H new ATOM 0 HH12 ARG A 46 -1.896 15.725 -1.474 1.00 3.76 H new ATOM 0 HH21 ARG A 46 -2.617 14.347 -4.687 1.00 5.52 H new ATOM 0 HH22 ARG A 46 -2.410 15.842 -3.769 1.00 5.52 H new ATOM 709 N TYR A 47 0.168 8.322 -4.035 1.00 0.74 N ATOM 710 CA TYR A 47 1.362 8.085 -4.816 1.00 0.77 C ATOM 711 C TYR A 47 1.270 8.863 -6.117 1.00 0.74 C ATOM 712 O TYR A 47 0.219 9.421 -6.423 1.00 0.76 O ATOM 713 CB TYR A 47 1.507 6.577 -5.065 1.00 0.83 C ATOM 714 CG TYR A 47 0.366 5.950 -5.853 1.00 0.83 C ATOM 715 CD1 TYR A 47 -0.882 5.712 -5.245 1.00 1.93 C ATOM 716 CD2 TYR A 47 0.570 5.558 -7.187 1.00 2.04 C ATOM 717 CE1 TYR A 47 -1.909 5.080 -5.966 1.00 2.03 C ATOM 718 CE2 TYR A 47 -0.418 4.824 -7.865 1.00 2.12 C ATOM 719 CZ TYR A 47 -1.653 4.571 -7.246 1.00 1.22 C ATOM 720 OH TYR A 47 -2.592 3.810 -7.874 1.00 1.60 O ATOM 0 H TYR A 47 -0.636 8.625 -4.585 1.00 0.74 H new ATOM 0 HA TYR A 47 2.247 8.427 -4.280 1.00 0.77 H new ATOM 0 HB2 TYR A 47 2.440 6.399 -5.599 1.00 0.83 H new ATOM 0 HB3 TYR A 47 1.588 6.070 -4.104 1.00 0.83 H new ATOM 0 HD1 TYR A 47 -1.050 6.016 -4.222 1.00 1.93 H new ATOM 0 HD2 TYR A 47 1.488 5.821 -7.692 1.00 2.04 H new ATOM 0 HE1 TYR A 47 -2.894 4.987 -5.534 1.00 2.03 H new ATOM 0 HE2 TYR A 47 -0.228 4.455 -8.862 1.00 2.12 H new ATOM 0 HH TYR A 47 -3.193 3.416 -7.208 1.00 1.60 H new ATOM 730 N ASN A 48 2.360 8.890 -6.885 1.00 0.73 N ATOM 731 CA ASN A 48 2.397 9.525 -8.196 1.00 0.72 C ATOM 732 C ASN A 48 2.349 8.469 -9.307 1.00 0.63 C ATOM 733 O ASN A 48 3.407 7.973 -9.707 1.00 0.76 O ATOM 734 CB ASN A 48 3.634 10.419 -8.329 1.00 0.95 C ATOM 735 CG ASN A 48 3.641 11.157 -9.667 1.00 1.40 C ATOM 736 OD1 ASN A 48 2.680 11.100 -10.428 1.00 2.63 O ATOM 737 ND2 ASN A 48 4.715 11.881 -9.961 1.00 1.83 N ATOM 0 H ASN A 48 3.247 8.468 -6.610 1.00 0.73 H new ATOM 0 HA ASN A 48 1.517 10.159 -8.300 1.00 0.72 H new ATOM 0 HB2 ASN A 48 3.654 11.141 -7.512 1.00 0.95 H new ATOM 0 HB3 ASN A 48 4.535 9.813 -8.240 1.00 0.95 H new ATOM 0 HD21 ASN A 48 4.753 12.405 -10.835 1.00 1.83 H new ATOM 0 HD22 ASN A 48 5.502 11.913 -9.313 1.00 1.83 H new ATOM 744 N PRO A 49 1.158 8.127 -9.838 1.00 0.71 N ATOM 745 CA PRO A 49 1.029 7.312 -11.036 1.00 0.72 C ATOM 746 C PRO A 49 1.600 8.056 -12.248 1.00 0.97 C ATOM 747 O PRO A 49 0.886 8.658 -13.049 1.00 1.68 O ATOM 748 CB PRO A 49 -0.457 6.988 -11.166 1.00 0.83 C ATOM 749 CG PRO A 49 -1.143 8.156 -10.468 1.00 1.11 C ATOM 750 CD PRO A 49 -0.161 8.500 -9.349 1.00 1.09 C ATOM 0 HA PRO A 49 1.599 6.385 -10.978 1.00 0.72 H new ATOM 0 HB2 PRO A 49 -0.760 6.911 -12.210 1.00 0.83 H new ATOM 0 HB3 PRO A 49 -0.703 6.038 -10.692 1.00 0.83 H new ATOM 0 HG2 PRO A 49 -1.298 8.997 -11.144 1.00 1.11 H new ATOM 0 HG3 PRO A 49 -2.121 7.876 -10.077 1.00 1.11 H new ATOM 0 HD2 PRO A 49 -0.201 9.562 -9.109 1.00 1.09 H new ATOM 0 HD3 PRO A 49 -0.406 7.957 -8.436 1.00 1.09 H new ATOM 758 N ALA A 50 2.922 7.982 -12.344 1.00 0.84 N ATOM 759 CA ALA A 50 3.783 8.433 -13.418 1.00 0.95 C ATOM 760 C ALA A 50 5.150 7.833 -13.103 1.00 0.91 C ATOM 761 O ALA A 50 5.676 7.033 -13.869 1.00 1.05 O ATOM 762 CB ALA A 50 3.840 9.962 -13.476 1.00 1.08 C ATOM 0 H ALA A 50 3.468 7.561 -11.592 1.00 0.84 H new ATOM 0 HA ALA A 50 3.419 8.117 -14.396 1.00 0.95 H new ATOM 0 HB1 ALA A 50 4.494 10.271 -14.292 1.00 1.08 H new ATOM 0 HB2 ALA A 50 2.838 10.357 -13.644 1.00 1.08 H new ATOM 0 HB3 ALA A 50 4.229 10.348 -12.534 1.00 1.08 H new ATOM 768 N VAL A 51 5.659 8.140 -11.904 1.00 0.81 N ATOM 769 CA VAL A 51 6.849 7.542 -11.342 1.00 0.81 C ATOM 770 C VAL A 51 6.679 6.025 -11.272 1.00 0.81 C ATOM 771 O VAL A 51 7.518 5.288 -11.777 1.00 0.95 O ATOM 772 CB VAL A 51 7.064 8.160 -9.949 1.00 0.81 C ATOM 773 CG1 VAL A 51 8.178 7.443 -9.193 1.00 0.93 C ATOM 774 CG2 VAL A 51 7.427 9.646 -10.058 1.00 0.93 C ATOM 0 H VAL A 51 5.232 8.833 -11.289 1.00 0.81 H new ATOM 0 HA VAL A 51 7.724 7.738 -11.961 1.00 0.81 H new ATOM 0 HB VAL A 51 6.126 8.050 -9.404 1.00 0.81 H new ATOM 0 HG11 VAL A 51 8.306 7.902 -8.213 1.00 0.93 H new ATOM 0 HG12 VAL A 51 7.916 6.392 -9.070 1.00 0.93 H new ATOM 0 HG13 VAL A 51 9.108 7.522 -9.755 1.00 0.93 H new ATOM 0 HG21 VAL A 51 7.574 10.059 -9.060 1.00 0.93 H new ATOM 0 HG22 VAL A 51 8.346 9.755 -10.634 1.00 0.93 H new ATOM 0 HG23 VAL A 51 6.620 10.182 -10.557 1.00 0.93 H new ATOM 784 N ILE A 52 5.608 5.571 -10.611 1.00 0.76 N ATOM 785 CA ILE A 52 5.418 4.154 -10.325 1.00 0.94 C ATOM 786 C ILE A 52 4.530 3.482 -11.377 1.00 1.04 C ATOM 787 O ILE A 52 5.061 2.789 -12.232 1.00 1.57 O ATOM 788 CB ILE A 52 5.035 3.939 -8.858 1.00 1.10 C ATOM 789 CG1 ILE A 52 4.985 2.447 -8.523 1.00 1.41 C ATOM 790 CG2 ILE A 52 3.728 4.603 -8.410 1.00 1.07 C ATOM 791 CD1 ILE A 52 6.335 1.722 -8.589 1.00 2.51 C ATOM 0 H ILE A 52 4.860 6.171 -10.265 1.00 0.76 H new ATOM 0 HA ILE A 52 6.364 3.623 -10.427 1.00 0.94 H new ATOM 0 HB ILE A 52 5.827 4.440 -8.301 1.00 1.10 H new ATOM 0 HG12 ILE A 52 4.575 2.329 -7.520 1.00 1.41 H new ATOM 0 HG13 ILE A 52 4.294 1.959 -9.210 1.00 1.41 H new ATOM 0 HG21 ILE A 52 3.553 4.387 -7.356 1.00 1.07 H new ATOM 0 HG22 ILE A 52 3.800 5.681 -8.552 1.00 1.07 H new ATOM 0 HG23 ILE A 52 2.900 4.213 -9.003 1.00 1.07 H new ATOM 0 HD11 ILE A 52 6.196 0.671 -8.336 1.00 2.51 H new ATOM 0 HD12 ILE A 52 6.742 1.802 -9.597 1.00 2.51 H new ATOM 0 HD13 ILE A 52 7.028 2.177 -7.881 1.00 2.51 H new ATOM 803 N GLN A 53 3.211 3.717 -11.314 1.00 0.88 N ATOM 804 CA GLN A 53 2.094 3.134 -12.071 1.00 0.99 C ATOM 805 C GLN A 53 1.241 2.344 -11.074 1.00 0.91 C ATOM 806 O GLN A 53 1.800 1.634 -10.248 1.00 0.86 O ATOM 807 CB GLN A 53 2.443 2.234 -13.281 1.00 1.26 C ATOM 808 CG GLN A 53 2.601 2.948 -14.631 1.00 1.38 C ATOM 809 CD GLN A 53 3.817 3.852 -14.686 1.00 1.58 C ATOM 810 OE1 GLN A 53 4.770 3.588 -15.411 1.00 2.43 O ATOM 811 NE2 GLN A 53 3.777 4.937 -13.927 1.00 2.30 N ATOM 0 H GLN A 53 2.860 4.406 -10.649 1.00 0.88 H new ATOM 0 HA GLN A 53 1.579 3.976 -12.533 1.00 0.99 H new ATOM 0 HB2 GLN A 53 3.372 1.708 -13.061 1.00 1.26 H new ATOM 0 HB3 GLN A 53 1.664 1.478 -13.382 1.00 1.26 H new ATOM 0 HG2 GLN A 53 2.673 2.203 -15.423 1.00 1.38 H new ATOM 0 HG3 GLN A 53 1.707 3.539 -14.830 1.00 1.38 H new ATOM 0 HE21 GLN A 53 2.964 5.118 -13.338 1.00 2.30 H new ATOM 0 HE22 GLN A 53 4.559 5.591 -13.931 1.00 2.30 H new ATOM 820 N PRO A 54 -0.096 2.427 -11.124 1.00 0.93 N ATOM 821 CA PRO A 54 -0.983 1.654 -10.259 1.00 0.88 C ATOM 822 C PRO A 54 -0.695 0.148 -10.233 1.00 0.81 C ATOM 823 O PRO A 54 -0.533 -0.399 -9.141 1.00 0.76 O ATOM 824 CB PRO A 54 -2.410 2.009 -10.682 1.00 1.00 C ATOM 825 CG PRO A 54 -2.183 3.445 -11.144 1.00 1.09 C ATOM 826 CD PRO A 54 -0.883 3.352 -11.919 1.00 1.07 C ATOM 0 HA PRO A 54 -0.815 1.924 -9.216 1.00 0.88 H new ATOM 0 HB2 PRO A 54 -2.783 1.366 -11.479 1.00 1.00 H new ATOM 0 HB3 PRO A 54 -3.121 1.941 -9.858 1.00 1.00 H new ATOM 0 HG2 PRO A 54 -3.001 3.802 -11.770 1.00 1.09 H new ATOM 0 HG3 PRO A 54 -2.103 4.132 -10.302 1.00 1.09 H new ATOM 0 HD2 PRO A 54 -1.042 2.980 -12.931 1.00 1.07 H new ATOM 0 HD3 PRO A 54 -0.396 4.323 -12.009 1.00 1.07 H new ATOM 834 N PRO A 55 -0.582 -0.546 -11.380 1.00 0.87 N ATOM 835 CA PRO A 55 -0.064 -1.894 -11.382 1.00 0.86 C ATOM 836 C PRO A 55 1.271 -1.950 -10.653 1.00 0.89 C ATOM 837 O PRO A 55 1.447 -2.812 -9.798 1.00 0.93 O ATOM 838 CB PRO A 55 0.095 -2.306 -12.846 1.00 1.00 C ATOM 839 CG PRO A 55 -0.050 -1.040 -13.657 1.00 1.03 C ATOM 840 CD PRO A 55 -0.821 -0.110 -12.744 1.00 1.03 C ATOM 0 HA PRO A 55 -0.740 -2.575 -10.864 1.00 0.86 H new ATOM 0 HB2 PRO A 55 1.067 -2.769 -13.017 1.00 1.00 H new ATOM 0 HB3 PRO A 55 -0.661 -3.038 -13.129 1.00 1.00 H new ATOM 0 HG2 PRO A 55 0.921 -0.623 -13.924 1.00 1.03 H new ATOM 0 HG3 PRO A 55 -0.586 -1.221 -14.588 1.00 1.03 H new ATOM 0 HD2 PRO A 55 -0.494 0.921 -12.881 1.00 1.03 H new ATOM 0 HD3 PRO A 55 -1.886 -0.140 -12.976 1.00 1.03 H new ATOM 848 N MET A 56 2.217 -1.051 -10.963 1.00 0.98 N ATOM 849 CA MET A 56 3.544 -1.221 -10.399 1.00 1.09 C ATOM 850 C MET A 56 3.518 -1.041 -8.880 1.00 1.02 C ATOM 851 O MET A 56 4.216 -1.772 -8.184 1.00 1.17 O ATOM 852 CB MET A 56 4.563 -0.339 -11.119 1.00 1.26 C ATOM 853 CG MET A 56 4.807 -0.876 -12.536 1.00 1.52 C ATOM 854 SD MET A 56 5.960 0.081 -13.553 1.00 1.86 S ATOM 855 CE MET A 56 6.034 -0.975 -15.016 1.00 2.96 C ATOM 0 H MET A 56 2.091 -0.241 -11.570 1.00 0.98 H new ATOM 0 HA MET A 56 3.877 -2.245 -10.567 1.00 1.09 H new ATOM 0 HB2 MET A 56 4.199 0.687 -11.167 1.00 1.26 H new ATOM 0 HB3 MET A 56 5.499 -0.320 -10.561 1.00 1.26 H new ATOM 0 HG2 MET A 56 5.182 -1.897 -12.458 1.00 1.52 H new ATOM 0 HG3 MET A 56 3.850 -0.927 -13.055 1.00 1.52 H new ATOM 0 HE1 MET A 56 6.706 -0.532 -15.751 1.00 2.96 H new ATOM 0 HE2 MET A 56 6.404 -1.961 -14.735 1.00 2.96 H new ATOM 0 HE3 MET A 56 5.037 -1.071 -15.446 1.00 2.96 H new ATOM 865 N ILE A 57 2.683 -0.146 -8.336 1.00 0.88 N ATOM 866 CA ILE A 57 2.602 -0.035 -6.886 1.00 0.88 C ATOM 867 C ILE A 57 1.921 -1.281 -6.303 1.00 0.89 C ATOM 868 O ILE A 57 2.419 -1.875 -5.344 1.00 1.06 O ATOM 869 CB ILE A 57 2.001 1.322 -6.471 1.00 0.92 C ATOM 870 CG1 ILE A 57 2.659 1.801 -5.169 1.00 2.10 C ATOM 871 CG2 ILE A 57 0.474 1.349 -6.340 1.00 1.64 C ATOM 872 CD1 ILE A 57 2.275 3.248 -4.878 1.00 2.26 C ATOM 0 H ILE A 57 2.078 0.487 -8.860 1.00 0.88 H new ATOM 0 HA ILE A 57 3.598 -0.026 -6.443 1.00 0.88 H new ATOM 0 HB ILE A 57 2.221 2.004 -7.293 1.00 0.92 H new ATOM 0 HG12 ILE A 57 2.349 1.163 -4.342 1.00 2.10 H new ATOM 0 HG13 ILE A 57 3.743 1.715 -5.249 1.00 2.10 H new ATOM 0 HG21 ILE A 57 0.152 2.347 -6.044 1.00 1.64 H new ATOM 0 HG22 ILE A 57 0.022 1.091 -7.298 1.00 1.64 H new ATOM 0 HG23 ILE A 57 0.161 0.628 -5.585 1.00 1.64 H new ATOM 0 HD11 ILE A 57 2.750 3.571 -3.952 1.00 2.26 H new ATOM 0 HD12 ILE A 57 2.608 3.885 -5.698 1.00 2.26 H new ATOM 0 HD13 ILE A 57 1.192 3.324 -4.776 1.00 2.26 H new ATOM 884 N ALA A 58 0.812 -1.722 -6.915 1.00 0.83 N ATOM 885 CA ALA A 58 0.129 -2.944 -6.515 1.00 0.90 C ATOM 886 C ALA A 58 1.069 -4.150 -6.485 1.00 0.95 C ATOM 887 O ALA A 58 0.956 -4.996 -5.597 1.00 1.10 O ATOM 888 CB ALA A 58 -1.046 -3.205 -7.456 1.00 0.99 C ATOM 0 H ALA A 58 0.371 -1.238 -7.697 1.00 0.83 H new ATOM 0 HA ALA A 58 -0.238 -2.804 -5.498 1.00 0.90 H new ATOM 0 HB1 ALA A 58 -1.556 -4.120 -7.156 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -1.743 -2.368 -7.408 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -0.678 -3.313 -8.476 1.00 0.99 H new ATOM 894 N GLU A 59 1.955 -4.259 -7.478 1.00 0.95 N ATOM 895 CA GLU A 59 2.980 -5.263 -7.560 1.00 1.04 C ATOM 896 C GLU A 59 4.011 -5.069 -6.450 1.00 1.06 C ATOM 897 O GLU A 59 4.208 -5.968 -5.638 1.00 1.09 O ATOM 898 CB GLU A 59 3.662 -5.130 -8.917 1.00 1.12 C ATOM 899 CG GLU A 59 2.942 -5.718 -10.147 1.00 1.38 C ATOM 900 CD GLU A 59 2.294 -7.078 -9.939 1.00 1.47 C ATOM 901 OE1 GLU A 59 2.907 -7.968 -9.319 1.00 2.50 O ATOM 902 OE2 GLU A 59 1.097 -7.201 -10.289 1.00 2.62 O ATOM 0 H GLU A 59 1.965 -3.617 -8.271 1.00 0.95 H new ATOM 0 HA GLU A 59 2.537 -6.252 -7.445 1.00 1.04 H new ATOM 0 HB2 GLU A 59 3.831 -4.070 -9.104 1.00 1.12 H new ATOM 0 HB3 GLU A 59 4.642 -5.601 -8.846 1.00 1.12 H new ATOM 0 HG2 GLU A 59 2.174 -5.014 -10.467 1.00 1.38 H new ATOM 0 HG3 GLU A 59 3.661 -5.798 -10.963 1.00 1.38 H new ATOM 909 N PHE A 60 4.678 -3.913 -6.412 1.00 1.15 N ATOM 910 CA PHE A 60 5.809 -3.700 -5.526 1.00 1.34 C ATOM 911 C PHE A 60 5.415 -4.010 -4.082 1.00 1.39 C ATOM 912 O PHE A 60 6.145 -4.700 -3.376 1.00 1.48 O ATOM 913 CB PHE A 60 6.369 -2.283 -5.675 1.00 1.57 C ATOM 914 CG PHE A 60 7.421 -2.090 -6.761 1.00 2.20 C ATOM 915 CD1 PHE A 60 7.243 -2.628 -8.050 1.00 3.72 C ATOM 916 CD2 PHE A 60 8.609 -1.395 -6.464 1.00 2.45 C ATOM 917 CE1 PHE A 60 8.217 -2.427 -9.044 1.00 4.48 C ATOM 918 CE2 PHE A 60 9.574 -1.176 -7.463 1.00 3.02 C ATOM 919 CZ PHE A 60 9.375 -1.686 -8.756 1.00 3.76 C ATOM 0 H PHE A 60 4.446 -3.107 -6.993 1.00 1.15 H new ATOM 0 HA PHE A 60 6.608 -4.386 -5.809 1.00 1.34 H new ATOM 0 HB2 PHE A 60 5.539 -1.605 -5.876 1.00 1.57 H new ATOM 0 HB3 PHE A 60 6.802 -1.983 -4.721 1.00 1.57 H new ATOM 0 HD1 PHE A 60 6.354 -3.198 -8.276 1.00 3.72 H new ATOM 0 HD2 PHE A 60 8.780 -1.028 -5.463 1.00 2.45 H new ATOM 0 HE1 PHE A 60 8.075 -2.843 -10.030 1.00 4.48 H new ATOM 0 HE2 PHE A 60 10.469 -0.615 -7.236 1.00 3.02 H new ATOM 0 HZ PHE A 60 10.110 -1.509 -9.527 1.00 3.76 H new ATOM 929 N ILE A 61 4.230 -3.577 -3.646 1.00 1.38 N ATOM 930 CA ILE A 61 3.753 -3.899 -2.304 1.00 1.45 C ATOM 931 C ILE A 61 3.720 -5.424 -2.062 1.00 1.39 C ATOM 932 O ILE A 61 4.053 -5.896 -0.971 1.00 1.52 O ATOM 933 CB ILE A 61 2.404 -3.200 -2.070 1.00 1.48 C ATOM 934 CG1 ILE A 61 2.638 -1.680 -2.087 1.00 1.59 C ATOM 935 CG2 ILE A 61 1.813 -3.606 -0.715 1.00 1.53 C ATOM 936 CD1 ILE A 61 1.342 -0.869 -2.098 1.00 1.67 C ATOM 0 H ILE A 61 3.590 -3.007 -4.199 1.00 1.38 H new ATOM 0 HA ILE A 61 4.452 -3.518 -1.559 1.00 1.45 H new ATOM 0 HB ILE A 61 1.704 -3.492 -2.853 1.00 1.48 H new ATOM 0 HG12 ILE A 61 3.226 -1.400 -1.213 1.00 1.59 H new ATOM 0 HG13 ILE A 61 3.229 -1.420 -2.965 1.00 1.59 H new ATOM 0 HG21 ILE A 61 0.858 -3.101 -0.568 1.00 1.53 H new ATOM 0 HG22 ILE A 61 1.659 -4.685 -0.694 1.00 1.53 H new ATOM 0 HG23 ILE A 61 2.500 -3.322 0.082 1.00 1.53 H new ATOM 0 HD11 ILE A 61 1.579 0.195 -2.110 1.00 1.67 H new ATOM 0 HD12 ILE A 61 0.762 -1.122 -2.986 1.00 1.67 H new ATOM 0 HD13 ILE A 61 0.760 -1.101 -1.206 1.00 1.67 H new ATOM 948 N ARG A 62 3.359 -6.207 -3.083 1.00 1.25 N ATOM 949 CA ARG A 62 3.422 -7.661 -3.035 1.00 1.29 C ATOM 950 C ARG A 62 4.868 -8.152 -3.038 1.00 1.43 C ATOM 951 O ARG A 62 5.202 -9.013 -2.227 1.00 1.56 O ATOM 952 CB ARG A 62 2.572 -8.287 -4.152 1.00 1.10 C ATOM 953 CG ARG A 62 1.100 -8.147 -3.759 1.00 1.01 C ATOM 954 CD ARG A 62 0.118 -8.613 -4.832 1.00 1.16 C ATOM 955 NE ARG A 62 -0.034 -7.590 -5.872 1.00 2.02 N ATOM 956 CZ ARG A 62 0.284 -7.698 -7.169 1.00 2.53 C ATOM 957 NH1 ARG A 62 1.046 -8.710 -7.596 1.00 2.36 N ATOM 958 NH2 ARG A 62 -0.157 -6.783 -8.031 1.00 3.88 N ATOM 0 H ARG A 62 3.013 -5.842 -3.970 1.00 1.25 H new ATOM 0 HA ARG A 62 2.988 -7.995 -2.092 1.00 1.29 H new ATOM 0 HB2 ARG A 62 2.762 -7.787 -5.102 1.00 1.10 H new ATOM 0 HB3 ARG A 62 2.833 -9.337 -4.287 1.00 1.10 H new ATOM 0 HG2 ARG A 62 0.923 -8.718 -2.848 1.00 1.01 H new ATOM 0 HG3 ARG A 62 0.896 -7.102 -3.525 1.00 1.01 H new ATOM 0 HD2 ARG A 62 0.472 -9.543 -5.278 1.00 1.16 H new ATOM 0 HD3 ARG A 62 -0.850 -8.825 -4.379 1.00 1.16 H new ATOM 0 HE ARG A 62 -0.426 -6.696 -5.575 1.00 2.02 H new ATOM 0 HH11 ARG A 62 1.389 -9.405 -6.933 1.00 2.36 H new ATOM 0 HH12 ARG A 62 1.285 -8.787 -8.585 1.00 2.36 H new ATOM 0 HH21 ARG A 62 -0.732 -6.008 -7.702 1.00 3.88 H new ATOM 0 HH22 ARG A 62 0.081 -6.858 -9.020 1.00 3.88 H new ATOM 972 N GLU A 63 5.741 -7.600 -3.883 1.00 1.48 N ATOM 973 CA GLU A 63 7.155 -7.926 -3.894 1.00 1.65 C ATOM 974 C GLU A 63 7.802 -7.686 -2.520 1.00 1.90 C ATOM 975 O GLU A 63 8.666 -8.452 -2.100 1.00 2.17 O ATOM 976 CB GLU A 63 7.825 -7.116 -5.003 1.00 1.73 C ATOM 977 CG GLU A 63 7.302 -7.477 -6.393 1.00 1.67 C ATOM 978 CD GLU A 63 7.937 -6.621 -7.479 1.00 2.30 C ATOM 979 OE1 GLU A 63 9.166 -6.761 -7.657 1.00 3.24 O ATOM 980 OE2 GLU A 63 7.181 -5.850 -8.109 1.00 2.69 O ATOM 0 H GLU A 63 5.476 -6.908 -4.584 1.00 1.48 H new ATOM 0 HA GLU A 63 7.289 -8.988 -4.099 1.00 1.65 H new ATOM 0 HB2 GLU A 63 7.661 -6.054 -4.822 1.00 1.73 H new ATOM 0 HB3 GLU A 63 8.902 -7.282 -4.970 1.00 1.73 H new ATOM 0 HG2 GLU A 63 7.505 -8.529 -6.595 1.00 1.67 H new ATOM 0 HG3 GLU A 63 6.220 -7.350 -6.418 1.00 1.67 H new ATOM 987 N LEU A 64 7.338 -6.670 -1.785 1.00 1.86 N ATOM 988 CA LEU A 64 7.781 -6.382 -0.428 1.00 2.10 C ATOM 989 C LEU A 64 7.112 -7.319 0.590 1.00 1.98 C ATOM 990 O LEU A 64 7.600 -7.429 1.713 1.00 2.30 O ATOM 991 CB LEU A 64 7.494 -4.912 -0.085 1.00 2.28 C ATOM 992 CG LEU A 64 8.270 -3.908 -0.957 1.00 2.45 C ATOM 993 CD1 LEU A 64 7.930 -2.484 -0.511 1.00 3.08 C ATOM 994 CD2 LEU A 64 9.782 -4.137 -0.874 1.00 2.48 C ATOM 0 H LEU A 64 6.633 -6.017 -2.127 1.00 1.86 H new ATOM 0 HA LEU A 64 8.856 -6.555 -0.374 1.00 2.10 H new ATOM 0 HB2 LEU A 64 6.426 -4.725 -0.195 1.00 2.28 H new ATOM 0 HB3 LEU A 64 7.742 -4.738 0.962 1.00 2.28 H new ATOM 0 HG LEU A 64 7.973 -4.055 -1.995 1.00 2.45 H new ATOM 0 HD11 LEU A 64 8.477 -1.770 -1.126 1.00 3.08 H new ATOM 0 HD12 LEU A 64 6.859 -2.314 -0.623 1.00 3.08 H new ATOM 0 HD13 LEU A 64 8.211 -2.353 0.534 1.00 3.08 H new ATOM 0 HD21 LEU A 64 10.295 -3.409 -1.503 1.00 2.48 H new ATOM 0 HD22 LEU A 64 10.111 -4.021 0.159 1.00 2.48 H new ATOM 0 HD23 LEU A 64 10.017 -5.144 -1.219 1.00 2.48 H new ATOM 1006 N GLY A 65 6.022 -7.999 0.216 1.00 1.73 N ATOM 1007 CA GLY A 65 5.490 -9.139 0.955 1.00 2.03 C ATOM 1008 C GLY A 65 3.970 -9.126 1.107 1.00 1.65 C ATOM 1009 O GLY A 65 3.399 -10.126 1.540 1.00 1.66 O ATOM 0 H GLY A 65 5.482 -7.767 -0.618 1.00 1.73 H new ATOM 0 HA2 GLY A 65 5.786 -10.058 0.449 1.00 2.03 H new ATOM 0 HA3 GLY A 65 5.944 -9.161 1.946 1.00 2.03 H new ATOM 1013 N PHE A 66 3.304 -8.009 0.804 1.00 1.94 N ATOM 1014 CA PHE A 66 1.960 -7.746 1.304 1.00 2.41 C ATOM 1015 C PHE A 66 0.939 -7.875 0.183 1.00 2.21 C ATOM 1016 O PHE A 66 1.008 -7.162 -0.813 1.00 2.91 O ATOM 1017 CB PHE A 66 1.943 -6.378 1.996 1.00 3.23 C ATOM 1018 CG PHE A 66 2.833 -6.374 3.225 1.00 3.09 C ATOM 1019 CD1 PHE A 66 2.321 -6.839 4.451 1.00 2.81 C ATOM 1020 CD2 PHE A 66 4.225 -6.224 3.067 1.00 4.03 C ATOM 1021 CE1 PHE A 66 3.195 -7.213 5.487 1.00 2.68 C ATOM 1022 CE2 PHE A 66 5.101 -6.664 4.075 1.00 3.99 C ATOM 1023 CZ PHE A 66 4.586 -7.159 5.286 1.00 2.95 C ATOM 0 H PHE A 66 3.680 -7.270 0.210 1.00 1.94 H new ATOM 0 HA PHE A 66 1.676 -8.489 2.049 1.00 2.41 H new ATOM 0 HB2 PHE A 66 2.278 -5.610 1.298 1.00 3.23 H new ATOM 0 HB3 PHE A 66 0.922 -6.125 2.282 1.00 3.23 H new ATOM 0 HD1 PHE A 66 1.253 -6.909 4.596 1.00 2.81 H new ATOM 0 HD2 PHE A 66 4.620 -5.770 2.170 1.00 4.03 H new ATOM 0 HE1 PHE A 66 2.799 -7.541 6.436 1.00 2.68 H new ATOM 0 HE2 PHE A 66 6.169 -6.622 3.919 1.00 3.99 H new ATOM 0 HZ PHE A 66 5.258 -7.497 6.061 1.00 2.95 H new ATOM 1033 N GLY A 67 -0.004 -8.807 0.350 1.00 1.64 N ATOM 1034 CA GLY A 67 -0.981 -9.220 -0.645 1.00 1.43 C ATOM 1035 C GLY A 67 -2.019 -8.155 -0.972 1.00 1.13 C ATOM 1036 O GLY A 67 -3.190 -8.292 -0.638 1.00 1.19 O ATOM 0 H GLY A 67 -0.106 -9.315 1.228 1.00 1.64 H new ATOM 0 HA2 GLY A 67 -0.458 -9.496 -1.560 1.00 1.43 H new ATOM 0 HA3 GLY A 67 -1.492 -10.114 -0.288 1.00 1.43 H new ATOM 1040 N ALA A 68 -1.552 -7.108 -1.631 1.00 1.42 N ATOM 1041 CA ALA A 68 -2.282 -5.892 -1.951 1.00 1.23 C ATOM 1042 C ALA A 68 -3.111 -6.077 -3.221 1.00 1.05 C ATOM 1043 O ALA A 68 -2.562 -6.369 -4.285 1.00 1.23 O ATOM 1044 CB ALA A 68 -1.289 -4.741 -2.121 1.00 1.31 C ATOM 0 H ALA A 68 -0.593 -7.083 -1.979 1.00 1.42 H new ATOM 0 HA ALA A 68 -2.968 -5.661 -1.136 1.00 1.23 H new ATOM 0 HB1 ALA A 68 -1.830 -3.826 -2.361 1.00 1.31 H new ATOM 0 HB2 ALA A 68 -0.732 -4.601 -1.194 1.00 1.31 H new ATOM 0 HB3 ALA A 68 -0.596 -4.975 -2.929 1.00 1.31 H new ATOM 1050 N THR A 69 -4.428 -5.894 -3.103 1.00 0.87 N ATOM 1051 CA THR A 69 -5.397 -6.033 -4.174 1.00 0.84 C ATOM 1052 C THR A 69 -6.184 -4.721 -4.292 1.00 0.69 C ATOM 1053 O THR A 69 -6.813 -4.295 -3.327 1.00 0.75 O ATOM 1054 CB THR A 69 -6.298 -7.236 -3.855 1.00 1.22 C ATOM 1055 OG1 THR A 69 -6.828 -7.186 -2.544 1.00 2.72 O ATOM 1056 CG2 THR A 69 -5.533 -8.554 -4.012 1.00 2.46 C ATOM 0 H THR A 69 -4.859 -5.634 -2.216 1.00 0.87 H new ATOM 0 HA THR A 69 -4.919 -6.219 -5.136 1.00 0.84 H new ATOM 0 HB THR A 69 -7.121 -7.187 -4.568 1.00 1.22 H new ATOM 0 HG1 THR A 69 -6.126 -6.913 -1.917 1.00 2.72 H new ATOM 0 HG21 THR A 69 -6.195 -9.389 -3.780 1.00 2.46 H new ATOM 0 HG22 THR A 69 -5.176 -8.648 -5.038 1.00 2.46 H new ATOM 0 HG23 THR A 69 -4.683 -8.565 -3.330 1.00 2.46 H new ATOM 1064 N VAL A 70 -6.120 -4.056 -5.450 1.00 0.67 N ATOM 1065 CA VAL A 70 -6.540 -2.683 -5.642 1.00 0.68 C ATOM 1066 C VAL A 70 -8.054 -2.633 -5.822 1.00 0.75 C ATOM 1067 O VAL A 70 -8.599 -3.370 -6.641 1.00 0.74 O ATOM 1068 CB VAL A 70 -5.785 -2.172 -6.878 1.00 0.71 C ATOM 1069 CG1 VAL A 70 -6.258 -0.801 -7.329 1.00 1.57 C ATOM 1070 CG2 VAL A 70 -4.292 -2.035 -6.582 1.00 1.74 C ATOM 0 H VAL A 70 -5.760 -4.483 -6.304 1.00 0.67 H new ATOM 0 HA VAL A 70 -6.311 -2.051 -4.784 1.00 0.68 H new ATOM 0 HB VAL A 70 -5.979 -2.907 -7.659 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -5.690 -0.490 -8.206 1.00 1.57 H new ATOM 0 HG12 VAL A 70 -7.318 -0.846 -7.581 1.00 1.57 H new ATOM 0 HG13 VAL A 70 -6.107 -0.081 -6.525 1.00 1.57 H new ATOM 0 HG21 VAL A 70 -3.777 -1.672 -7.471 1.00 1.74 H new ATOM 0 HG22 VAL A 70 -4.146 -1.329 -5.764 1.00 1.74 H new ATOM 0 HG23 VAL A 70 -3.887 -3.006 -6.299 1.00 1.74 H new ATOM 1080 N ILE A 71 -8.730 -1.779 -5.044 1.00 0.92 N ATOM 1081 CA ILE A 71 -10.193 -1.723 -5.004 1.00 1.13 C ATOM 1082 C ILE A 71 -10.713 -0.290 -4.948 1.00 1.39 C ATOM 1083 O ILE A 71 -11.466 0.100 -4.056 1.00 2.19 O ATOM 1084 CB ILE A 71 -10.741 -2.556 -3.840 1.00 1.30 C ATOM 1085 CG1 ILE A 71 -10.130 -2.133 -2.492 1.00 2.05 C ATOM 1086 CG2 ILE A 71 -10.510 -4.044 -4.116 1.00 2.85 C ATOM 1087 CD1 ILE A 71 -11.139 -2.336 -1.360 1.00 2.92 C ATOM 0 H ILE A 71 -8.276 -1.108 -4.425 1.00 0.92 H new ATOM 0 HA ILE A 71 -10.557 -2.156 -5.936 1.00 1.13 H new ATOM 0 HB ILE A 71 -11.813 -2.374 -3.764 1.00 1.30 H new ATOM 0 HG12 ILE A 71 -9.231 -2.716 -2.295 1.00 2.05 H new ATOM 0 HG13 ILE A 71 -9.828 -1.086 -2.535 1.00 2.05 H new ATOM 0 HG21 ILE A 71 -10.901 -4.633 -3.286 1.00 2.85 H new ATOM 0 HG22 ILE A 71 -11.023 -4.327 -5.035 1.00 2.85 H new ATOM 0 HG23 ILE A 71 -9.442 -4.233 -4.223 1.00 2.85 H new ATOM 0 HD11 ILE A 71 -10.691 -2.032 -0.414 1.00 2.92 H new ATOM 0 HD12 ILE A 71 -12.027 -1.733 -1.551 1.00 2.92 H new ATOM 0 HD13 ILE A 71 -11.420 -3.388 -1.307 1.00 2.92 H new ATOM 1099 N GLU A 72 -10.364 0.485 -5.966 1.00 1.19 N ATOM 1100 CA GLU A 72 -10.924 1.806 -6.163 1.00 1.31 C ATOM 1101 C GLU A 72 -12.270 1.664 -6.883 1.00 1.50 C ATOM 1102 O GLU A 72 -12.401 2.008 -8.056 1.00 2.20 O ATOM 1103 CB GLU A 72 -9.898 2.627 -6.936 1.00 1.64 C ATOM 1104 CG GLU A 72 -10.297 4.109 -7.025 1.00 2.70 C ATOM 1105 CD GLU A 72 -9.224 5.000 -6.423 1.00 3.72 C ATOM 1106 OE1 GLU A 72 -8.188 5.163 -7.101 1.00 3.82 O ATOM 1107 OE2 GLU A 72 -9.439 5.443 -5.275 1.00 5.08 O ATOM 0 H GLU A 72 -9.684 0.211 -6.676 1.00 1.19 H new ATOM 0 HA GLU A 72 -11.126 2.325 -5.226 1.00 1.31 H new ATOM 0 HB2 GLU A 72 -8.925 2.542 -6.451 1.00 1.64 H new ATOM 0 HB3 GLU A 72 -9.790 2.219 -7.941 1.00 1.64 H new ATOM 0 HG2 GLU A 72 -10.460 4.383 -8.067 1.00 2.70 H new ATOM 0 HG3 GLU A 72 -11.241 4.267 -6.503 1.00 2.70 H new ATOM 1114 N ASN A 73 -13.272 1.117 -6.189 1.00 2.38 N ATOM 1115 CA ASN A 73 -14.609 0.931 -6.739 1.00 2.87 C ATOM 1116 C ASN A 73 -15.601 0.734 -5.594 1.00 3.93 C ATOM 1117 O ASN A 73 -15.210 0.230 -4.543 1.00 5.05 O ATOM 1118 CB ASN A 73 -14.626 -0.277 -7.684 1.00 4.29 C ATOM 1119 CG ASN A 73 -15.952 -0.346 -8.429 1.00 5.19 C ATOM 1120 OD1 ASN A 73 -16.908 -0.938 -7.940 1.00 5.90 O ATOM 1121 ND2 ASN A 73 -16.021 0.295 -9.589 1.00 5.91 N ATOM 0 H ASN A 73 -13.174 0.791 -5.227 1.00 2.38 H new ATOM 0 HA ASN A 73 -14.896 1.814 -7.310 1.00 2.87 H new ATOM 0 HB2 ASN A 73 -13.804 -0.202 -8.396 1.00 4.29 H new ATOM 0 HB3 ASN A 73 -14.472 -1.194 -7.116 1.00 4.29 H new ATOM 0 HD21 ASN A 73 -16.896 0.309 -10.113 1.00 5.91 H new ATOM 0 HD22 ASN A 73 -15.199 0.774 -9.957 1.00 5.91 H new ATOM 1128 N ILE A 74 -16.860 1.146 -5.786 1.00 4.19 N ATOM 1129 CA ILE A 74 -17.924 1.025 -4.790 1.00 5.61 C ATOM 1130 C ILE A 74 -19.267 0.659 -5.445 1.00 6.35 C ATOM 1131 O ILE A 74 -20.323 0.937 -4.880 1.00 7.14 O ATOM 1132 CB ILE A 74 -18.030 2.328 -3.965 1.00 6.05 C ATOM 1133 CG1 ILE A 74 -18.303 3.547 -4.868 1.00 6.29 C ATOM 1134 CG2 ILE A 74 -16.772 2.546 -3.113 1.00 6.53 C ATOM 1135 CD1 ILE A 74 -18.635 4.809 -4.066 1.00 7.31 C ATOM 0 H ILE A 74 -17.170 1.580 -6.655 1.00 4.19 H new ATOM 0 HA ILE A 74 -17.671 0.211 -4.111 1.00 5.61 H new ATOM 0 HB ILE A 74 -18.880 2.221 -3.291 1.00 6.05 H new ATOM 0 HG12 ILE A 74 -17.429 3.736 -5.491 1.00 6.29 H new ATOM 0 HG13 ILE A 74 -19.131 3.319 -5.540 1.00 6.29 H new ATOM 0 HG21 ILE A 74 -16.874 3.470 -2.543 1.00 6.53 H new ATOM 0 HG22 ILE A 74 -16.648 1.708 -2.427 1.00 6.53 H new ATOM 0 HG23 ILE A 74 -15.900 2.615 -3.763 1.00 6.53 H new ATOM 0 HD11 ILE A 74 -18.818 5.637 -4.750 1.00 7.31 H new ATOM 0 HD12 ILE A 74 -19.525 4.633 -3.463 1.00 7.31 H new ATOM 0 HD13 ILE A 74 -17.798 5.056 -3.413 1.00 7.31 H new ATOM 1147 N GLU A 75 -19.243 0.058 -6.637 1.00 6.70 N ATOM 1148 CA GLU A 75 -20.456 -0.305 -7.358 1.00 7.72 C ATOM 1149 C GLU A 75 -21.022 -1.620 -6.815 1.00 8.90 C ATOM 1150 O GLU A 75 -20.321 -2.384 -6.153 1.00 9.64 O ATOM 1151 CB GLU A 75 -20.146 -0.397 -8.857 1.00 8.11 C ATOM 1152 CG GLU A 75 -19.687 0.959 -9.409 1.00 7.97 C ATOM 1153 CD GLU A 75 -19.349 0.847 -10.886 1.00 8.65 C ATOM 1154 OE1 GLU A 75 -18.193 0.459 -11.160 1.00 9.18 O ATOM 1155 OE2 GLU A 75 -20.249 1.135 -11.702 1.00 9.08 O ATOM 0 H GLU A 75 -18.382 -0.188 -7.125 1.00 6.70 H new ATOM 0 HA GLU A 75 -21.217 0.461 -7.211 1.00 7.72 H new ATOM 0 HB2 GLU A 75 -19.370 -1.144 -9.026 1.00 8.11 H new ATOM 0 HB3 GLU A 75 -21.033 -0.731 -9.395 1.00 8.11 H new ATOM 0 HG2 GLU A 75 -20.472 1.701 -9.265 1.00 7.97 H new ATOM 0 HG3 GLU A 75 -18.815 1.307 -8.856 1.00 7.97 H new ATOM 1162 N GLY A 76 -22.301 -1.885 -7.097 1.00 9.40 N ATOM 1163 CA GLY A 76 -22.982 -3.079 -6.619 1.00 10.76 C ATOM 1164 C GLY A 76 -24.492 -2.927 -6.773 1.00 11.38 C ATOM 1165 O GLY A 76 -25.188 -2.632 -5.803 1.00 11.72 O ATOM 0 H GLY A 76 -22.889 -1.274 -7.664 1.00 9.40 H new ATOM 0 HA2 GLY A 76 -22.639 -3.950 -7.178 1.00 10.76 H new ATOM 0 HA3 GLY A 76 -22.732 -3.253 -5.572 1.00 10.76 H new ATOM 1169 N ARG A 77 -24.998 -3.123 -7.989 1.00 11.87 N ATOM 1170 CA ARG A 77 -26.408 -3.162 -8.319 1.00 12.70 C ATOM 1171 C ARG A 77 -26.490 -3.971 -9.610 1.00 13.54 C ATOM 1172 O ARG A 77 -25.435 -4.057 -10.276 1.00 13.76 O ATOM 1173 CB ARG A 77 -26.953 -1.732 -8.476 1.00 12.55 C ATOM 1174 CG ARG A 77 -28.432 -1.694 -8.892 1.00 13.70 C ATOM 1175 CD ARG A 77 -28.598 -1.547 -10.413 1.00 14.22 C ATOM 1176 NE ARG A 77 -30.004 -1.699 -10.824 1.00 15.40 N ATOM 1177 CZ ARG A 77 -30.627 -2.866 -11.064 1.00 16.39 C ATOM 1178 NH1 ARG A 77 -30.000 -4.032 -10.885 1.00 16.54 N ATOM 1179 NH2 ARG A 77 -31.897 -2.862 -11.486 1.00 17.52 N ATOM 1180 OXT ARG A 77 -27.594 -4.476 -9.910 1.00 14.18 O ATOM 0 H ARG A 77 -24.402 -3.265 -8.804 1.00 11.87 H new ATOM 0 HA ARG A 77 -27.018 -3.622 -7.542 1.00 12.70 H new ATOM 0 HB2 ARG A 77 -26.833 -1.198 -7.533 1.00 12.55 H new ATOM 0 HB3 ARG A 77 -26.358 -1.202 -9.220 1.00 12.55 H new ATOM 0 HG2 ARG A 77 -28.926 -2.607 -8.560 1.00 13.70 H new ATOM 0 HG3 ARG A 77 -28.928 -0.863 -8.391 1.00 13.70 H new ATOM 0 HD2 ARG A 77 -28.231 -0.570 -10.727 1.00 14.22 H new ATOM 0 HD3 ARG A 77 -27.988 -2.295 -10.920 1.00 14.22 H new ATOM 0 HE ARG A 77 -30.552 -0.846 -10.936 1.00 15.40 H new ATOM 0 HH11 ARG A 77 -29.033 -4.047 -10.561 1.00 16.54 H new ATOM 0 HH12 ARG A 77 -30.488 -4.908 -11.072 1.00 16.54 H new ATOM 0 HH21 ARG A 77 -32.386 -1.977 -11.624 1.00 17.52 H new ATOM 0 HH22 ARG A 77 -32.376 -3.744 -11.670 1.00 17.52 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 -0.918 -7.310 8.407 1.00 3.31 CU