USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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 8 THR OG1 : rot -77:sc= 0.306 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0326 (180deg=-0.145) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 19 TYR OH : rot 161:sc= -0.0305 USER MOD Single : A 21 ASN : amide:sc= -1.32! C(o=-1.3!,f=-3.5!) USER MOD Single : B 1 PHE N :NH3+ -161:sc= -1.48! (180deg=-2.06!) USER MOD Single : B 3 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.49) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 165:sc= -0.908 USER MOD Single : B 26 TYR OH : rot 180:sc= -2.15 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -106:sc= -1.25 (180deg=-4.79!) USER MOD Single : B 30 THR OG1 : rot -170:sc= -2.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.129 4.425 4.426 1.00 0.00 N ATOM 2 CA GLY A 1 -7.413 5.440 3.604 1.00 0.00 C ATOM 3 C GLY A 1 -6.231 4.853 2.859 1.00 0.00 C ATOM 4 O GLY A 1 -5.258 5.552 2.575 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.806 4.902 5.055 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.640 3.770 3.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.442 3.893 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.108 5.879 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.067 6.247 4.249 1.00 0.00 H new ATOM 10 N ILE A 2 -6.312 3.563 2.545 1.00 0.00 N ATOM 11 CA ILE A 2 -5.235 2.877 1.830 1.00 0.00 C ATOM 12 C ILE A 2 -4.765 3.681 0.624 1.00 0.00 C ATOM 13 O ILE A 2 -3.566 3.795 0.368 1.00 0.00 O ATOM 14 CB ILE A 2 -5.651 1.471 1.337 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.159 1.391 1.084 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.223 0.407 2.333 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.570 0.156 0.314 1.00 0.00 C ATOM 0 H ILE A 2 -7.110 2.971 2.773 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.425 2.775 2.553 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.143 1.288 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.682 1.406 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.476 2.277 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.525 -0.575 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.140 0.433 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.697 0.598 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.650 0.161 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.073 0.150 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.283 -0.734 0.874 1.00 0.00 H new ATOM 29 N VAL A 3 -5.717 4.220 -0.123 1.00 0.00 N ATOM 30 CA VAL A 3 -5.405 4.995 -1.314 1.00 0.00 C ATOM 31 C VAL A 3 -5.231 6.479 -0.996 1.00 0.00 C ATOM 32 O VAL A 3 -4.289 7.116 -1.463 1.00 0.00 O ATOM 33 CB VAL A 3 -6.498 4.817 -2.390 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.728 5.652 -2.070 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.954 5.153 -3.769 1.00 0.00 C ATOM 0 H VAL A 3 -6.714 4.135 0.075 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.459 4.616 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.802 3.770 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.479 5.505 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.136 5.345 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.452 6.706 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.740 5.021 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.612 6.188 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.120 4.492 -4.002 1.00 0.00 H new ATOM 45 N GLU A 4 -6.149 7.024 -0.209 1.00 0.00 N ATOM 46 CA GLU A 4 -6.104 8.434 0.159 1.00 0.00 C ATOM 47 C GLU A 4 -4.829 8.777 0.922 1.00 0.00 C ATOM 48 O GLU A 4 -4.165 9.769 0.627 1.00 0.00 O ATOM 49 CB GLU A 4 -7.325 8.799 1.003 1.00 0.00 C ATOM 50 CG GLU A 4 -8.649 8.481 0.328 1.00 0.00 C ATOM 51 CD GLU A 4 -9.817 8.517 1.293 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.886 9.461 2.108 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.664 7.599 1.236 1.00 0.00 O ATOM 0 H GLU A 4 -6.936 6.510 0.188 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.111 9.014 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.273 8.265 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.291 9.864 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.824 9.196 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.591 7.494 -0.131 1.00 0.00 H new ATOM 60 N GLN A 5 -4.501 7.958 1.912 1.00 0.00 N ATOM 61 CA GLN A 5 -3.314 8.181 2.733 1.00 0.00 C ATOM 62 C GLN A 5 -2.029 8.030 1.924 1.00 0.00 C ATOM 63 O GLN A 5 -1.286 8.994 1.734 1.00 0.00 O ATOM 64 CB GLN A 5 -3.300 7.210 3.914 1.00 0.00 C ATOM 65 CG GLN A 5 -2.272 7.564 4.977 1.00 0.00 C ATOM 66 CD GLN A 5 -2.905 8.101 6.247 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.828 9.295 6.536 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.535 7.218 7.013 1.00 0.00 N ATOM 0 H GLN A 5 -5.040 7.131 2.168 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.358 9.205 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.290 7.190 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.098 6.204 3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.683 6.679 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.583 8.308 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.574 6.238 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.980 7.520 7.880 1.00 0.00 H new ATOM 77 N CYS A 6 -1.760 6.812 1.465 1.00 0.00 N ATOM 78 CA CYS A 6 -0.553 6.527 0.696 1.00 0.00 C ATOM 79 C CYS A 6 -0.396 7.470 -0.497 1.00 0.00 C ATOM 80 O CYS A 6 0.722 7.766 -0.916 1.00 0.00 O ATOM 81 CB CYS A 6 -0.564 5.077 0.206 1.00 0.00 C ATOM 82 SG CYS A 6 0.281 3.899 1.312 1.00 0.00 S ATOM 0 H CYS A 6 -2.364 6.003 1.613 1.00 0.00 H new ATOM 0 HA CYS A 6 0.296 6.684 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.598 4.758 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.094 5.035 -0.776 1.00 0.00 H new ATOM 87 N CYS A 7 -1.514 7.928 -1.049 1.00 0.00 N ATOM 88 CA CYS A 7 -1.474 8.823 -2.202 1.00 0.00 C ATOM 89 C CYS A 7 -0.845 10.165 -1.845 1.00 0.00 C ATOM 90 O CYS A 7 0.210 10.519 -2.370 1.00 0.00 O ATOM 91 CB CYS A 7 -2.878 9.052 -2.757 1.00 0.00 C ATOM 92 SG CYS A 7 -2.935 10.205 -4.166 1.00 0.00 S ATOM 0 H CYS A 7 -2.452 7.698 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.859 8.342 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.296 8.094 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.515 9.436 -1.960 1.00 0.00 H new ATOM 97 N THR A 8 -1.514 10.910 -0.960 1.00 0.00 N ATOM 98 CA THR A 8 -1.048 12.234 -0.520 1.00 0.00 C ATOM 99 C THR A 8 0.449 12.407 -0.742 1.00 0.00 C ATOM 100 O THR A 8 0.888 13.329 -1.429 1.00 0.00 O ATOM 101 CB THR A 8 -1.376 12.441 0.959 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.471 11.726 1.781 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.776 11.999 1.328 1.00 0.00 C ATOM 0 H THR A 8 -2.390 10.616 -0.528 1.00 0.00 H new ATOM 0 HA THR A 8 -1.567 12.982 -1.120 1.00 0.00 H new ATOM 0 HB THR A 8 -1.294 13.515 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.709 10.775 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.944 12.173 2.391 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.502 12.568 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.891 10.937 1.112 1.00 0.00 H new ATOM 111 N SER A 9 1.219 11.499 -0.167 1.00 0.00 N ATOM 112 CA SER A 9 2.667 11.523 -0.304 1.00 0.00 C ATOM 113 C SER A 9 3.138 10.298 -1.080 1.00 0.00 C ATOM 114 O SER A 9 2.324 9.526 -1.585 1.00 0.00 O ATOM 115 CB SER A 9 3.330 11.562 1.075 1.00 0.00 C ATOM 116 OG SER A 9 2.525 10.917 2.046 1.00 0.00 O ATOM 0 H SER A 9 0.864 10.731 0.403 1.00 0.00 H new ATOM 0 HA SER A 9 2.953 12.420 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.305 11.078 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.502 12.597 1.370 1.00 0.00 H new ATOM 0 HG SER A 9 2.971 10.954 2.918 1.00 0.00 H new ATOM 122 N ILE A 10 4.446 10.115 -1.164 1.00 0.00 N ATOM 123 CA ILE A 10 5.004 8.972 -1.870 1.00 0.00 C ATOM 124 C ILE A 10 5.189 7.815 -0.902 1.00 0.00 C ATOM 125 O ILE A 10 6.282 7.585 -0.385 1.00 0.00 O ATOM 126 CB ILE A 10 6.350 9.313 -2.545 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.215 10.572 -3.406 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.819 8.150 -3.401 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.015 11.838 -2.609 1.00 0.00 C ATOM 0 H ILE A 10 5.139 10.741 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 10 4.304 8.690 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 10 7.088 9.500 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.109 10.678 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.373 10.446 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.769 8.404 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.948 7.267 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.077 7.943 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.928 12.686 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.105 11.754 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.868 11.990 -1.947 1.00 0.00 H new ATOM 141 N CYS A 11 4.094 7.109 -0.636 1.00 0.00 N ATOM 142 CA CYS A 11 4.103 5.988 0.299 1.00 0.00 C ATOM 143 C CYS A 11 5.297 5.069 0.083 1.00 0.00 C ATOM 144 O CYS A 11 5.657 4.748 -1.050 1.00 0.00 O ATOM 145 CB CYS A 11 2.807 5.178 0.190 1.00 0.00 C ATOM 146 SG CYS A 11 2.024 4.821 1.797 1.00 0.00 S ATOM 0 H CYS A 11 3.184 7.295 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 11 4.182 6.415 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.100 5.724 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.020 4.237 -0.317 1.00 0.00 H new ATOM 151 N SER A 12 5.893 4.631 1.188 1.00 0.00 N ATOM 152 CA SER A 12 7.030 3.726 1.134 1.00 0.00 C ATOM 153 C SER A 12 6.540 2.285 1.106 1.00 0.00 C ATOM 154 O SER A 12 5.670 1.905 1.883 1.00 0.00 O ATOM 155 CB SER A 12 7.948 3.947 2.338 1.00 0.00 C ATOM 156 OG SER A 12 8.983 4.865 2.028 1.00 0.00 O ATOM 0 H SER A 12 5.605 4.890 2.132 1.00 0.00 H new ATOM 0 HA SER A 12 7.598 3.929 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.365 4.321 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.382 2.996 2.648 1.00 0.00 H new ATOM 0 HG SER A 12 9.555 4.991 2.814 1.00 0.00 H new ATOM 162 N LEU A 13 7.096 1.492 0.203 1.00 0.00 N ATOM 163 CA LEU A 13 6.708 0.088 0.062 1.00 0.00 C ATOM 164 C LEU A 13 6.559 -0.584 1.413 1.00 0.00 C ATOM 165 O LEU A 13 5.691 -1.434 1.609 1.00 0.00 O ATOM 166 CB LEU A 13 7.745 -0.652 -0.770 1.00 0.00 C ATOM 167 CG LEU A 13 7.607 -0.446 -2.272 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.334 1.017 -2.587 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.852 -0.932 -2.996 1.00 0.00 C ATOM 0 H LEU A 13 7.821 1.794 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 13 5.741 0.054 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.739 -0.329 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.674 -1.718 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 13 6.759 -1.034 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.238 1.145 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.409 1.327 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.159 1.628 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.734 -0.776 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.720 -0.375 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.997 -1.994 -2.798 1.00 0.00 H new ATOM 181 N TYR A 14 7.402 -0.180 2.346 1.00 0.00 N ATOM 182 CA TYR A 14 7.359 -0.725 3.693 1.00 0.00 C ATOM 183 C TYR A 14 5.941 -0.623 4.238 1.00 0.00 C ATOM 184 O TYR A 14 5.454 -1.523 4.920 1.00 0.00 O ATOM 185 CB TYR A 14 8.333 0.025 4.604 1.00 0.00 C ATOM 186 CG TYR A 14 8.333 -0.474 6.030 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.453 -1.829 6.313 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.211 0.410 7.094 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.453 -2.288 7.616 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.211 -0.041 8.400 1.00 0.00 C ATOM 191 CZ TYR A 14 8.333 -1.391 8.655 1.00 0.00 C ATOM 192 OH TYR A 14 8.332 -1.844 9.955 1.00 0.00 O ATOM 0 H TYR A 14 8.125 0.524 2.197 1.00 0.00 H new ATOM 0 HA TYR A 14 7.657 -1.773 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.340 -0.064 4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.079 1.085 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.548 -2.535 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.115 1.468 6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.547 -3.345 7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.116 0.660 9.216 1.00 0.00 H new ATOM 0 HH TYR A 14 8.240 -1.084 10.566 1.00 0.00 H new ATOM 202 N GLN A 15 5.273 0.469 3.892 1.00 0.00 N ATOM 203 CA GLN A 15 3.894 0.687 4.315 1.00 0.00 C ATOM 204 C GLN A 15 2.955 -0.027 3.361 1.00 0.00 C ATOM 205 O GLN A 15 1.872 -0.470 3.744 1.00 0.00 O ATOM 206 CB GLN A 15 3.573 2.183 4.355 1.00 0.00 C ATOM 207 CG GLN A 15 4.541 2.989 5.205 1.00 0.00 C ATOM 208 CD GLN A 15 4.190 2.956 6.680 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.588 3.890 7.209 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.568 1.875 7.353 1.00 0.00 N ATOM 0 H GLN A 15 5.662 1.218 3.320 1.00 0.00 H new ATOM 0 HA GLN A 15 3.763 0.285 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.581 2.575 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.563 2.319 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.550 2.601 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.547 4.023 4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.065 1.124 6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.361 1.796 8.349 1.00 0.00 H new ATOM 219 N LEU A 16 3.395 -0.149 2.118 1.00 0.00 N ATOM 220 CA LEU A 16 2.622 -0.824 1.097 1.00 0.00 C ATOM 221 C LEU A 16 2.545 -2.318 1.389 1.00 0.00 C ATOM 222 O LEU A 16 1.624 -2.999 0.944 1.00 0.00 O ATOM 223 CB LEU A 16 3.254 -0.590 -0.272 1.00 0.00 C ATOM 224 CG LEU A 16 2.326 -0.816 -1.462 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.053 -0.005 -1.305 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.028 -0.453 -2.757 1.00 0.00 C ATOM 0 H LEU A 16 4.291 0.215 1.794 1.00 0.00 H new ATOM 0 HA LEU A 16 1.611 -0.418 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.628 0.433 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.117 -1.249 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 16 2.060 -1.873 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.403 -0.178 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.539 -0.308 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.302 1.055 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.353 -0.620 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.321 0.597 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.915 -1.075 -2.876 1.00 0.00 H new ATOM 238 N GLU A 17 3.515 -2.824 2.153 1.00 0.00 N ATOM 239 CA GLU A 17 3.537 -4.237 2.502 1.00 0.00 C ATOM 240 C GLU A 17 2.470 -4.549 3.550 1.00 0.00 C ATOM 241 O GLU A 17 2.161 -5.712 3.806 1.00 0.00 O ATOM 242 CB GLU A 17 4.924 -4.643 3.016 1.00 0.00 C ATOM 243 CG GLU A 17 5.222 -4.169 4.429 1.00 0.00 C ATOM 244 CD GLU A 17 5.337 -5.314 5.417 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.023 -6.307 5.097 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.742 -5.217 6.510 1.00 0.00 O ATOM 0 H GLU A 17 4.287 -2.279 2.537 1.00 0.00 H new ATOM 0 HA GLU A 17 3.318 -4.814 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.009 -5.729 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.682 -4.243 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.152 -3.600 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.433 -3.491 4.755 1.00 0.00 H new ATOM 253 N ASN A 18 1.906 -3.501 4.150 1.00 0.00 N ATOM 254 CA ASN A 18 0.871 -3.668 5.164 1.00 0.00 C ATOM 255 C ASN A 18 -0.500 -3.907 4.526 1.00 0.00 C ATOM 256 O ASN A 18 -1.509 -4.001 5.226 1.00 0.00 O ATOM 257 CB ASN A 18 0.814 -2.436 6.070 1.00 0.00 C ATOM 258 CG ASN A 18 -0.027 -2.669 7.310 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.085 -2.062 7.479 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.440 -3.551 8.185 1.00 0.00 N ATOM 0 H ASN A 18 2.149 -2.531 3.951 1.00 0.00 H new ATOM 0 HA ASN A 18 1.127 -4.544 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.826 -2.160 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.405 -1.595 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.083 -3.749 9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.322 -4.031 8.004 1.00 0.00 H new ATOM 267 N TYR A 19 -0.532 -4.010 3.198 1.00 0.00 N ATOM 268 CA TYR A 19 -1.777 -4.244 2.475 1.00 0.00 C ATOM 269 C TYR A 19 -1.917 -5.727 2.135 1.00 0.00 C ATOM 270 O TYR A 19 -3.024 -6.235 1.957 1.00 0.00 O ATOM 271 CB TYR A 19 -1.814 -3.419 1.185 1.00 0.00 C ATOM 272 CG TYR A 19 -1.979 -1.924 1.381 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.461 -1.274 2.498 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.644 -1.157 0.431 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.605 0.092 2.661 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.787 0.209 0.586 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.267 0.828 1.701 1.00 0.00 C ATOM 278 OH TYR A 19 -2.405 2.188 1.857 1.00 0.00 O ATOM 0 H TYR A 19 0.292 -3.935 2.602 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.606 -3.939 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.892 -3.597 0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.634 -3.781 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.938 -1.846 3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.056 -1.637 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.201 0.580 3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.304 0.789 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.617 2.597 0.992 1.00 0.00 H new ATOM 288 N CYS A 20 -0.776 -6.411 2.047 1.00 0.00 N ATOM 289 CA CYS A 20 -0.744 -7.838 1.726 1.00 0.00 C ATOM 290 C CYS A 20 -1.791 -8.609 2.527 1.00 0.00 C ATOM 291 O CYS A 20 -2.007 -8.333 3.708 1.00 0.00 O ATOM 292 CB CYS A 20 0.645 -8.410 2.005 1.00 0.00 C ATOM 293 SG CYS A 20 2.012 -7.371 1.404 1.00 0.00 S ATOM 0 H CYS A 20 0.144 -5.996 2.195 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.975 -7.948 0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.758 -8.554 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.720 -9.394 1.542 1.00 0.00 H new ATOM 298 N ASN A 21 -2.438 -9.575 1.882 1.00 0.00 N ATOM 299 CA ASN A 21 -3.461 -10.379 2.542 1.00 0.00 C ATOM 300 C ASN A 21 -3.499 -11.794 1.962 1.00 0.00 C ATOM 301 O ASN A 21 -2.636 -12.179 1.174 1.00 0.00 O ATOM 302 CB ASN A 21 -4.833 -9.696 2.414 1.00 0.00 C ATOM 303 CG ASN A 21 -5.869 -10.538 1.688 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.252 -11.610 2.156 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.325 -10.055 0.538 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.264 -12.627 2.505 1.00 0.00 O ATOM 0 H ASN A 21 -2.273 -9.820 0.906 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.211 -10.460 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.205 -9.458 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.711 -8.751 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.021 -10.577 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.980 -9.162 0.187 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.183 2.730 -2.408 1.00 0.00 N ATOM 315 CA PHE B 1 12.288 2.465 -3.321 1.00 0.00 C ATOM 316 C PHE B 1 12.515 3.652 -4.258 1.00 0.00 C ATOM 317 O PHE B 1 13.623 3.864 -4.752 1.00 0.00 O ATOM 318 CB PHE B 1 12.023 1.184 -4.124 1.00 0.00 C ATOM 319 CG PHE B 1 11.014 1.341 -5.229 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.835 2.040 -5.024 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.248 0.784 -6.476 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.909 2.181 -6.041 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.326 0.921 -7.498 1.00 0.00 C ATOM 324 CZ PHE B 1 9.156 1.620 -7.279 1.00 0.00 C ATOM 0 H1 PHE B 1 11.244 2.086 -1.593 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.235 3.714 -2.076 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.280 2.579 -2.902 1.00 0.00 H new ATOM 0 HA PHE B 1 13.193 2.322 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.963 0.838 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.679 0.407 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.637 2.480 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.162 0.236 -6.652 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.994 2.729 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.521 0.482 -8.465 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.434 1.728 -8.075 1.00 0.00 H new ATOM 336 N VAL B 2 11.459 4.429 -4.486 1.00 0.00 N ATOM 337 CA VAL B 2 11.535 5.603 -5.349 1.00 0.00 C ATOM 338 C VAL B 2 10.568 6.678 -4.875 1.00 0.00 C ATOM 339 O VAL B 2 9.937 6.542 -3.827 1.00 0.00 O ATOM 340 CB VAL B 2 11.203 5.263 -6.818 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.049 4.108 -7.309 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.725 4.944 -6.982 1.00 0.00 C ATOM 0 H VAL B 2 10.537 4.265 -4.083 1.00 0.00 H new ATOM 0 HA VAL B 2 12.562 5.965 -5.294 1.00 0.00 H new ATOM 0 HB VAL B 2 11.433 6.140 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.797 3.887 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.104 4.375 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.857 3.229 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.517 4.708 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.466 4.089 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.131 5.807 -6.680 1.00 0.00 H new ATOM 352 N ASN B 3 10.434 7.731 -5.667 1.00 0.00 N ATOM 353 CA ASN B 3 9.517 8.807 -5.339 1.00 0.00 C ATOM 354 C ASN B 3 8.273 8.692 -6.191 1.00 0.00 C ATOM 355 O ASN B 3 7.866 9.636 -6.869 1.00 0.00 O ATOM 356 CB ASN B 3 10.180 10.174 -5.530 1.00 0.00 C ATOM 357 CG ASN B 3 9.491 11.265 -4.735 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.803 11.489 -3.566 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.547 11.952 -5.368 1.00 0.00 N ATOM 0 H ASN B 3 10.948 7.861 -6.538 1.00 0.00 H new ATOM 0 HA ASN B 3 9.239 8.721 -4.289 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.226 10.113 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.168 10.436 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.049 12.699 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.320 11.733 -6.338 1.00 0.00 H new ATOM 366 N GLN B 4 7.674 7.512 -6.141 1.00 0.00 N ATOM 367 CA GLN B 4 6.472 7.236 -6.895 1.00 0.00 C ATOM 368 C GLN B 4 5.230 7.314 -6.011 1.00 0.00 C ATOM 369 O GLN B 4 5.191 6.728 -4.929 1.00 0.00 O ATOM 370 CB GLN B 4 6.577 5.862 -7.553 1.00 0.00 C ATOM 371 CG GLN B 4 5.295 5.060 -7.496 1.00 0.00 C ATOM 372 CD GLN B 4 5.264 3.924 -8.500 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.412 2.757 -8.137 1.00 0.00 O ATOM 374 NE2 GLN B 4 5.071 4.260 -9.770 1.00 0.00 N ATOM 0 H GLN B 4 8.008 6.728 -5.580 1.00 0.00 H new ATOM 0 HA GLN B 4 6.372 7.996 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.869 5.990 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.371 5.296 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.171 4.654 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.449 5.723 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.953 5.240 -10.026 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.041 3.538 -10.490 1.00 0.00 H new ATOM 383 N ALA B 5 4.207 8.018 -6.484 1.00 0.00 N ATOM 384 CA ALA B 5 2.964 8.142 -5.728 1.00 0.00 C ATOM 385 C ALA B 5 2.363 6.765 -5.474 1.00 0.00 C ATOM 386 O ALA B 5 3.045 5.754 -5.629 1.00 0.00 O ATOM 387 CB ALA B 5 1.967 9.032 -6.451 1.00 0.00 C ATOM 0 H ALA B 5 4.212 8.508 -7.379 1.00 0.00 H new ATOM 0 HA ALA B 5 3.195 8.609 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.052 9.105 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.395 10.026 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.738 8.604 -7.427 1.00 0.00 H new ATOM 393 N LEU B 6 1.095 6.717 -5.073 1.00 0.00 N ATOM 394 CA LEU B 6 0.451 5.439 -4.788 1.00 0.00 C ATOM 395 C LEU B 6 -0.933 5.316 -5.396 1.00 0.00 C ATOM 396 O LEU B 6 -1.213 4.373 -6.136 1.00 0.00 O ATOM 397 CB LEU B 6 0.384 5.226 -3.285 1.00 0.00 C ATOM 398 CG LEU B 6 1.468 4.296 -2.776 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.321 2.944 -3.444 1.00 0.00 C ATOM 400 CD2 LEU B 6 2.830 4.885 -3.082 1.00 0.00 C ATOM 0 H LEU B 6 0.501 7.535 -4.940 1.00 0.00 H new ATOM 0 HA LEU B 6 1.061 4.664 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.471 6.189 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.592 4.817 -3.023 1.00 0.00 H new ATOM 0 HG LEU B 6 1.372 4.175 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.099 2.272 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.342 2.527 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.416 3.059 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.607 4.215 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.938 5.011 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.926 5.854 -2.592 1.00 0.00 H new ATOM 412 N CYS B 7 -1.796 6.251 -5.052 1.00 0.00 N ATOM 413 CA CYS B 7 -3.186 6.255 -5.541 1.00 0.00 C ATOM 414 C CYS B 7 -3.299 5.644 -6.939 1.00 0.00 C ATOM 415 O CYS B 7 -2.378 5.741 -7.752 1.00 0.00 O ATOM 416 CB CYS B 7 -3.771 7.672 -5.564 1.00 0.00 C ATOM 417 SG CYS B 7 -2.550 9.009 -5.757 1.00 0.00 S ATOM 0 H CYS B 7 -1.570 7.029 -4.432 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.757 5.644 -4.842 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.491 7.738 -6.380 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.323 7.836 -4.638 1.00 0.00 H new ATOM 422 N GLY B 8 -4.438 5.015 -7.207 1.00 0.00 N ATOM 423 CA GLY B 8 -4.653 4.397 -8.501 1.00 0.00 C ATOM 424 C GLY B 8 -3.934 3.070 -8.632 1.00 0.00 C ATOM 425 O GLY B 8 -4.166 2.149 -7.848 1.00 0.00 O ATOM 0 H GLY B 8 -5.215 4.922 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.721 4.245 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.310 5.072 -9.285 1.00 0.00 H new ATOM 429 N SER B 9 -3.060 2.971 -9.626 1.00 0.00 N ATOM 430 CA SER B 9 -2.305 1.747 -9.859 1.00 0.00 C ATOM 431 C SER B 9 -0.983 1.757 -9.095 1.00 0.00 C ATOM 432 O SER B 9 -0.429 0.701 -8.794 1.00 0.00 O ATOM 433 CB SER B 9 -2.046 1.562 -11.357 1.00 0.00 C ATOM 434 OG SER B 9 -2.576 0.331 -11.818 1.00 0.00 O ATOM 0 H SER B 9 -2.857 3.724 -10.284 1.00 0.00 H new ATOM 0 HA SER B 9 -2.900 0.911 -9.493 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.496 2.386 -11.911 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.974 1.595 -11.551 1.00 0.00 H new ATOM 0 HG SER B 9 -2.399 0.238 -12.777 1.00 0.00 H new ATOM 440 N ASP B 10 -0.478 2.950 -8.774 1.00 0.00 N ATOM 441 CA ASP B 10 0.782 3.068 -8.039 1.00 0.00 C ATOM 442 C ASP B 10 0.778 2.176 -6.803 1.00 0.00 C ATOM 443 O ASP B 10 1.834 1.755 -6.332 1.00 0.00 O ATOM 444 CB ASP B 10 1.063 4.526 -7.675 1.00 0.00 C ATOM 445 CG ASP B 10 1.865 5.241 -8.747 1.00 0.00 C ATOM 446 OD1 ASP B 10 2.504 4.551 -9.569 1.00 0.00 O ATOM 447 OD2 ASP B 10 1.853 6.489 -8.763 1.00 0.00 O ATOM 0 H ASP B 10 -0.918 3.840 -9.009 1.00 0.00 H new ATOM 0 HA ASP B 10 1.589 2.726 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.119 5.049 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.606 4.565 -6.731 1.00 0.00 H new ATOM 452 N LEU B 11 -0.412 1.849 -6.308 1.00 0.00 N ATOM 453 CA LEU B 11 -0.531 0.960 -5.164 1.00 0.00 C ATOM 454 C LEU B 11 -0.400 -0.471 -5.631 1.00 0.00 C ATOM 455 O LEU B 11 0.650 -1.076 -5.478 1.00 0.00 O ATOM 456 CB LEU B 11 -1.867 1.152 -4.450 1.00 0.00 C ATOM 457 CG LEU B 11 -2.008 2.451 -3.665 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.474 2.784 -3.491 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.323 2.344 -2.311 1.00 0.00 C ATOM 0 H LEU B 11 -1.300 2.185 -6.680 1.00 0.00 H new ATOM 0 HA LEU B 11 0.264 1.196 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.665 1.106 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.018 0.316 -3.767 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.523 3.251 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.572 3.713 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.939 2.901 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.968 1.978 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.438 3.283 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.777 1.537 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.263 2.135 -2.455 1.00 0.00 H new ATOM 471 N VAL B 12 -1.464 -0.998 -6.225 1.00 0.00 N ATOM 472 CA VAL B 12 -1.463 -2.357 -6.735 1.00 0.00 C ATOM 473 C VAL B 12 -0.168 -2.670 -7.468 1.00 0.00 C ATOM 474 O VAL B 12 0.427 -3.729 -7.276 1.00 0.00 O ATOM 475 CB VAL B 12 -2.639 -2.585 -7.692 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.962 -2.497 -6.953 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.598 -1.589 -8.836 1.00 0.00 C ATOM 0 H VAL B 12 -2.342 -0.498 -6.364 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.559 -3.020 -5.875 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.549 -3.589 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.781 -2.662 -7.653 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.994 -3.256 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.063 -1.509 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.441 -1.767 -9.504 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.658 -0.576 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.666 -1.707 -9.388 1.00 0.00 H new ATOM 487 N GLU B 13 0.270 -1.734 -8.301 1.00 0.00 N ATOM 488 CA GLU B 13 1.498 -1.909 -9.052 1.00 0.00 C ATOM 489 C GLU B 13 2.671 -2.079 -8.104 1.00 0.00 C ATOM 490 O GLU B 13 3.491 -2.985 -8.262 1.00 0.00 O ATOM 491 CB GLU B 13 1.735 -0.709 -9.970 1.00 0.00 C ATOM 492 CG GLU B 13 0.759 -0.629 -11.133 1.00 0.00 C ATOM 493 CD GLU B 13 1.372 0.007 -12.365 1.00 0.00 C ATOM 494 OE1 GLU B 13 2.610 -0.067 -12.519 1.00 0.00 O ATOM 495 OE2 GLU B 13 0.614 0.579 -13.177 1.00 0.00 O ATOM 0 H GLU B 13 -0.209 -0.849 -8.470 1.00 0.00 H new ATOM 0 HA GLU B 13 1.406 -2.806 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.663 0.207 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.751 -0.757 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.412 -1.632 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.116 -0.055 -10.829 1.00 0.00 H new ATOM 502 N ALA B 14 2.730 -1.216 -7.104 1.00 0.00 N ATOM 503 CA ALA B 14 3.796 -1.282 -6.117 1.00 0.00 C ATOM 504 C ALA B 14 3.482 -2.327 -5.055 1.00 0.00 C ATOM 505 O ALA B 14 4.353 -2.724 -4.281 1.00 0.00 O ATOM 506 CB ALA B 14 4.005 0.084 -5.481 1.00 0.00 C ATOM 0 H ALA B 14 2.056 -0.465 -6.954 1.00 0.00 H new ATOM 0 HA ALA B 14 4.717 -1.577 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.805 0.023 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.275 0.806 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.084 0.402 -4.992 1.00 0.00 H new ATOM 512 N LEU B 15 2.221 -2.749 -5.016 1.00 0.00 N ATOM 513 CA LEU B 15 1.757 -3.724 -4.046 1.00 0.00 C ATOM 514 C LEU B 15 1.986 -5.161 -4.508 1.00 0.00 C ATOM 515 O LEU B 15 2.717 -5.913 -3.865 1.00 0.00 O ATOM 516 CB LEU B 15 0.280 -3.500 -3.760 1.00 0.00 C ATOM 517 CG LEU B 15 -0.070 -3.317 -2.287 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.548 -3.542 -2.080 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.735 -4.266 -1.415 1.00 0.00 C ATOM 0 H LEU B 15 1.497 -2.423 -5.656 1.00 0.00 H new ATOM 0 HA LEU B 15 2.340 -3.582 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.052 -2.619 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.283 -4.348 -4.149 1.00 0.00 H new ATOM 0 HG LEU B 15 0.181 -2.297 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.792 -3.410 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.112 -2.824 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.809 -4.554 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.467 -4.115 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.518 -5.295 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.799 -4.069 -1.549 1.00 0.00 H new ATOM 531 N TYR B 16 1.356 -5.566 -5.605 1.00 0.00 N ATOM 532 CA TYR B 16 1.534 -6.929 -6.071 1.00 0.00 C ATOM 533 C TYR B 16 2.984 -7.205 -6.387 1.00 0.00 C ATOM 534 O TYR B 16 3.400 -8.362 -6.449 1.00 0.00 O ATOM 535 CB TYR B 16 0.683 -7.251 -7.302 1.00 0.00 C ATOM 536 CG TYR B 16 0.791 -6.296 -8.468 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.006 -6.055 -9.094 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.342 -5.668 -8.971 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.090 -5.214 -10.188 1.00 0.00 C ATOM 540 CE2 TYR B 16 -0.266 -4.821 -10.059 1.00 0.00 C ATOM 541 CZ TYR B 16 0.952 -4.599 -10.666 1.00 0.00 C ATOM 542 OH TYR B 16 1.033 -3.762 -11.755 1.00 0.00 O ATOM 0 H TYR B 16 0.736 -4.987 -6.171 1.00 0.00 H new ATOM 0 HA TYR B 16 1.202 -7.572 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.953 -8.247 -7.652 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.361 -7.294 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.900 -6.532 -8.721 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.299 -5.845 -8.503 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.043 -5.039 -10.666 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.155 -4.335 -10.432 1.00 0.00 H new ATOM 0 HH TYR B 16 0.135 -3.602 -12.112 1.00 0.00 H new ATOM 552 N LEU B 17 3.754 -6.153 -6.615 1.00 0.00 N ATOM 553 CA LEU B 17 5.140 -6.342 -6.950 1.00 0.00 C ATOM 554 C LEU B 17 5.980 -6.444 -5.680 1.00 0.00 C ATOM 555 O LEU B 17 7.059 -7.037 -5.688 1.00 0.00 O ATOM 556 CB LEU B 17 5.616 -5.216 -7.855 1.00 0.00 C ATOM 557 CG LEU B 17 6.453 -5.702 -9.027 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.614 -6.679 -9.853 1.00 0.00 C ATOM 559 CD2 LEU B 17 6.921 -4.531 -9.880 1.00 0.00 C ATOM 0 H LEU B 17 3.444 -5.182 -6.574 1.00 0.00 H new ATOM 0 HA LEU B 17 5.257 -7.278 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.750 -4.674 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.202 -4.509 -7.267 1.00 0.00 H new ATOM 0 HG LEU B 17 7.344 -6.209 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.201 -7.037 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.322 -7.524 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.721 -6.172 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.518 -4.903 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.055 -3.993 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.525 -3.857 -9.273 1.00 0.00 H new ATOM 571 N VAL B 18 5.464 -5.897 -4.573 1.00 0.00 N ATOM 572 CA VAL B 18 6.169 -5.982 -3.299 1.00 0.00 C ATOM 573 C VAL B 18 5.897 -7.333 -2.645 1.00 0.00 C ATOM 574 O VAL B 18 6.830 -8.054 -2.291 1.00 0.00 O ATOM 575 CB VAL B 18 5.790 -4.850 -2.310 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.529 -3.567 -2.657 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.296 -4.612 -2.277 1.00 0.00 C ATOM 0 H VAL B 18 4.574 -5.399 -4.537 1.00 0.00 H new ATOM 0 HA VAL B 18 7.229 -5.868 -3.525 1.00 0.00 H new ATOM 0 HB VAL B 18 6.093 -5.170 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.250 -2.784 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.604 -3.740 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.264 -3.256 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.071 -3.812 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.951 -4.328 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.789 -5.525 -1.964 1.00 0.00 H new ATOM 587 N CYS B 19 4.617 -7.684 -2.501 1.00 0.00 N ATOM 588 CA CYS B 19 4.257 -8.965 -1.906 1.00 0.00 C ATOM 589 C CYS B 19 4.095 -10.041 -2.968 1.00 0.00 C ATOM 590 O CYS B 19 4.853 -11.010 -3.005 1.00 0.00 O ATOM 591 CB CYS B 19 2.991 -8.846 -1.054 1.00 0.00 C ATOM 592 SG CYS B 19 3.354 -8.723 0.726 1.00 0.00 S ATOM 0 H CYS B 19 3.826 -7.106 -2.785 1.00 0.00 H new ATOM 0 HA CYS B 19 5.076 -9.262 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.428 -7.967 -1.368 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.355 -9.713 -1.232 1.00 0.00 H new ATOM 597 N GLY B 20 3.099 -9.866 -3.826 1.00 0.00 N ATOM 598 CA GLY B 20 2.847 -10.833 -4.876 1.00 0.00 C ATOM 599 C GLY B 20 2.378 -12.158 -4.319 1.00 0.00 C ATOM 600 O GLY B 20 1.204 -12.509 -4.436 1.00 0.00 O ATOM 0 H GLY B 20 2.460 -9.071 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.095 -10.439 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.757 -10.985 -5.457 1.00 0.00 H new ATOM 604 N GLU B 21 3.295 -12.891 -3.701 1.00 0.00 N ATOM 605 CA GLU B 21 2.968 -14.180 -3.109 1.00 0.00 C ATOM 606 C GLU B 21 1.982 -14.006 -1.957 1.00 0.00 C ATOM 607 O GLU B 21 1.326 -14.963 -1.544 1.00 0.00 O ATOM 608 CB GLU B 21 4.236 -14.875 -2.614 1.00 0.00 C ATOM 609 CG GLU B 21 5.384 -14.828 -3.608 1.00 0.00 C ATOM 610 CD GLU B 21 6.221 -16.092 -3.594 1.00 0.00 C ATOM 611 OE1 GLU B 21 7.169 -16.167 -2.785 1.00 0.00 O ATOM 612 OE2 GLU B 21 5.926 -17.007 -4.391 1.00 0.00 O ATOM 0 H GLU B 21 4.271 -12.614 -3.597 1.00 0.00 H new ATOM 0 HA GLU B 21 2.503 -14.801 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.555 -14.409 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.005 -15.916 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.985 -14.672 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.021 -13.973 -3.382 1.00 0.00 H new ATOM 619 N ARG B 22 1.876 -12.781 -1.441 1.00 0.00 N ATOM 620 CA ARG B 22 0.965 -12.496 -0.342 1.00 0.00 C ATOM 621 C ARG B 22 -0.151 -11.558 -0.785 1.00 0.00 C ATOM 622 O ARG B 22 -0.833 -10.961 0.048 1.00 0.00 O ATOM 623 CB ARG B 22 1.723 -11.886 0.840 1.00 0.00 C ATOM 624 CG ARG B 22 3.120 -12.458 1.037 1.00 0.00 C ATOM 625 CD ARG B 22 3.330 -12.953 2.459 1.00 0.00 C ATOM 626 NE ARG B 22 4.102 -12.007 3.261 1.00 0.00 N ATOM 627 CZ ARG B 22 4.742 -12.334 4.382 1.00 0.00 C ATOM 628 NH1 ARG B 22 4.703 -13.580 4.838 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.422 -11.413 5.048 1.00 0.00 N ATOM 0 H ARG B 22 2.410 -11.975 -1.768 1.00 0.00 H new ATOM 0 HA ARG B 22 0.517 -13.439 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.799 -10.809 0.693 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.145 -12.043 1.750 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.279 -13.280 0.339 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.862 -11.694 0.804 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.362 -13.122 2.930 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.845 -13.913 2.436 1.00 0.00 H new ATOM 0 HE ARG B 22 4.154 -11.039 2.944 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.181 -14.293 4.329 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.195 -13.824 5.697 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.455 -10.454 4.702 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.912 -11.663 5.907 1.00 0.00 H new ATOM 643 N GLY B 23 -0.335 -11.431 -2.102 1.00 0.00 N ATOM 644 CA GLY B 23 -1.374 -10.562 -2.636 1.00 0.00 C ATOM 645 C GLY B 23 -1.516 -9.272 -1.852 1.00 0.00 C ATOM 646 O GLY B 23 -0.524 -8.708 -1.390 1.00 0.00 O ATOM 0 H GLY B 23 0.219 -11.916 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.147 -10.328 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.326 -11.093 -2.629 1.00 0.00 H new ATOM 650 N PHE B 24 -2.748 -8.808 -1.693 1.00 0.00 N ATOM 651 CA PHE B 24 -3.003 -7.587 -0.951 1.00 0.00 C ATOM 652 C PHE B 24 -4.482 -7.401 -0.659 1.00 0.00 C ATOM 653 O PHE B 24 -5.309 -8.243 -1.010 1.00 0.00 O ATOM 654 CB PHE B 24 -2.456 -6.388 -1.711 1.00 0.00 C ATOM 655 CG PHE B 24 -2.768 -6.388 -3.180 1.00 0.00 C ATOM 656 CD1 PHE B 24 -4.071 -6.502 -3.631 1.00 0.00 C ATOM 657 CD2 PHE B 24 -1.750 -6.253 -4.109 1.00 0.00 C ATOM 658 CE1 PHE B 24 -4.356 -6.479 -4.984 1.00 0.00 C ATOM 659 CE2 PHE B 24 -2.027 -6.232 -5.463 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.332 -6.343 -5.901 1.00 0.00 C ATOM 0 H PHE B 24 -3.583 -9.259 -2.068 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.490 -7.668 0.007 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.858 -5.478 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.374 -6.354 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.875 -6.610 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.728 -6.163 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.378 -6.567 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.224 -6.129 -6.178 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.551 -6.324 -6.958 1.00 0.00 H new ATOM 670 N PHE B 25 -4.807 -6.296 0.004 1.00 0.00 N ATOM 671 CA PHE B 25 -6.188 -6.002 0.363 1.00 0.00 C ATOM 672 C PHE B 25 -6.608 -4.609 -0.097 1.00 0.00 C ATOM 673 O PHE B 25 -7.529 -4.018 0.465 1.00 0.00 O ATOM 674 CB PHE B 25 -6.374 -6.124 1.876 1.00 0.00 C ATOM 675 CG PHE B 25 -7.807 -6.030 2.315 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.686 -7.076 2.086 1.00 0.00 C ATOM 677 CD2 PHE B 25 -8.276 -4.894 2.957 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.005 -6.993 2.489 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.594 -4.805 3.362 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.459 -5.856 3.129 1.00 0.00 C ATOM 0 H PHE B 25 -4.133 -5.591 0.303 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.822 -6.729 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.963 -7.077 2.209 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.800 -5.340 2.369 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.336 -7.967 1.586 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.604 -4.070 3.143 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.680 -7.816 2.304 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.947 -3.914 3.860 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.489 -5.789 3.447 1.00 0.00 H new ATOM 690 N TYR B 26 -5.942 -4.089 -1.123 1.00 0.00 N ATOM 691 CA TYR B 26 -6.279 -2.767 -1.640 1.00 0.00 C ATOM 692 C TYR B 26 -7.704 -2.755 -2.182 1.00 0.00 C ATOM 693 O TYR B 26 -7.931 -3.019 -3.364 1.00 0.00 O ATOM 694 CB TYR B 26 -5.305 -2.342 -2.739 1.00 0.00 C ATOM 695 CG TYR B 26 -5.629 -0.980 -3.306 1.00 0.00 C ATOM 696 CD1 TYR B 26 -5.828 0.106 -2.464 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.756 -0.781 -4.673 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.140 1.349 -2.968 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.072 0.460 -5.187 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.263 1.522 -4.331 1.00 0.00 C ATOM 701 OH TYR B 26 -6.582 2.759 -4.840 1.00 0.00 O ATOM 0 H TYR B 26 -5.175 -4.555 -1.608 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.203 -2.057 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.292 -2.333 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.324 -3.080 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.737 -0.026 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.605 -1.612 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.288 2.184 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.169 0.598 -6.254 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.628 2.708 -5.818 1.00 0.00 H new ATOM 711 N THR B 27 -8.664 -2.454 -1.313 1.00 0.00 N ATOM 712 CA THR B 27 -10.066 -2.416 -1.710 1.00 0.00 C ATOM 713 C THR B 27 -10.710 -1.086 -1.338 1.00 0.00 C ATOM 714 O THR B 27 -10.079 -0.228 -0.722 1.00 0.00 O ATOM 715 CB THR B 27 -10.831 -3.567 -1.056 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.021 -3.320 0.325 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.133 -4.903 -1.193 1.00 0.00 C ATOM 0 H THR B 27 -8.497 -2.233 -0.331 1.00 0.00 H new ATOM 0 HA THR B 27 -10.111 -2.524 -2.794 1.00 0.00 H new ATOM 0 HB THR B 27 -11.784 -3.618 -1.583 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.513 -4.066 0.726 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.729 -5.676 -0.708 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.015 -5.145 -2.249 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.152 -4.851 -0.721 1.00 0.00 H new ATOM 725 N LYS B 28 -11.972 -0.925 -1.718 1.00 0.00 N ATOM 726 CA LYS B 28 -12.712 0.298 -1.430 1.00 0.00 C ATOM 727 C LYS B 28 -14.161 0.171 -1.900 1.00 0.00 C ATOM 728 O LYS B 28 -14.516 -0.797 -2.574 1.00 0.00 O ATOM 729 CB LYS B 28 -12.035 1.494 -2.104 1.00 0.00 C ATOM 730 CG LYS B 28 -12.000 1.402 -3.620 1.00 0.00 C ATOM 731 CD LYS B 28 -11.738 2.759 -4.252 1.00 0.00 C ATOM 732 CE LYS B 28 -10.391 3.320 -3.829 1.00 0.00 C ATOM 733 NZ LYS B 28 -10.504 4.195 -2.631 1.00 0.00 N ATOM 0 H LYS B 28 -12.506 -1.629 -2.228 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.714 0.458 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.558 2.406 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.015 1.581 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.224 0.701 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.948 1.006 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.771 2.668 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.528 3.453 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.707 2.499 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.959 3.888 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.400 5.190 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.435 4.058 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.757 3.950 -1.950 1.00 0.00 H new ATOM 747 N PRO B 29 -15.026 1.138 -1.541 1.00 0.00 N ATOM 748 CA PRO B 29 -16.450 1.122 -1.918 1.00 0.00 C ATOM 749 C PRO B 29 -16.698 1.284 -3.414 1.00 0.00 C ATOM 750 O PRO B 29 -17.790 1.661 -3.838 1.00 0.00 O ATOM 751 CB PRO B 29 -17.035 2.320 -1.174 1.00 0.00 C ATOM 752 CG PRO B 29 -16.030 2.669 -0.130 1.00 0.00 C ATOM 753 CD PRO B 29 -14.699 2.311 -0.719 1.00 0.00 C ATOM 0 HA PRO B 29 -16.898 0.161 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -17.205 3.157 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -17.997 2.072 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.076 3.729 0.120 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -16.213 2.116 0.791 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.287 3.124 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.964 2.076 0.051 1.00 0.00 H new ATOM 761 N THR B 30 -15.684 0.997 -4.199 1.00 0.00 N ATOM 762 CA THR B 30 -15.775 1.102 -5.650 1.00 0.00 C ATOM 763 C THR B 30 -15.085 -0.081 -6.323 1.00 0.00 C ATOM 764 O THR B 30 -15.714 -0.713 -7.198 1.00 0.00 O ATOM 765 CB THR B 30 -15.149 2.415 -6.130 1.00 0.00 C ATOM 766 OG1 THR B 30 -14.334 2.983 -5.120 1.00 0.00 O ATOM 767 CG2 THR B 30 -16.174 3.454 -6.529 1.00 0.00 C ATOM 768 OXT THR B 30 -13.921 -0.366 -5.970 1.00 0.00 O ATOM 0 H THR B 30 -14.775 0.685 -3.858 1.00 0.00 H new ATOM 0 HA THR B 30 -16.830 1.091 -5.925 1.00 0.00 H new ATOM 0 HB THR B 30 -14.561 2.150 -7.008 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.072 3.890 -5.383 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.665 4.359 -6.859 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.788 3.066 -7.342 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.809 3.686 -5.674 1.00 0.00 H new TER 776 THR B 30