USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (5 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 NoAdj-H: B 8 DSN H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 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= -0.551 K(o=-0.55,f=-7.2!) USER MOD Single : A 18 ASN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 19 TYR OH : rot -125:sc= -1.19 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : B 1 PHE N :NH3+ -118:sc= -0.136 (180deg=-0.52) USER MOD Single : B 3 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.19) USER MOD Single : B 4 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.14) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.323 F(o=-1.2,f=-0.32) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 41:sc= -7.5! USER MOD Single : B 27 THR OG1 : rot -91:sc= -0.305 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc=-0.00682 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.182 0.859 6.766 1.00 0.00 N ATOM 2 CA GLY A 1 -6.064 1.651 6.182 1.00 0.00 C ATOM 3 C GLY A 1 -6.119 1.710 4.675 1.00 0.00 C ATOM 4 O GLY A 1 -5.435 0.949 3.991 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.097 0.850 7.802 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.090 1.289 6.497 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.141 -0.116 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.094 2.664 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.114 1.214 6.490 1.00 0.00 H new ATOM 10 N ILE A 2 -6.928 2.620 4.149 1.00 0.00 N ATOM 11 CA ILE A 2 -7.052 2.770 2.709 1.00 0.00 C ATOM 12 C ILE A 2 -6.034 3.771 2.183 1.00 0.00 C ATOM 13 O ILE A 2 -5.958 4.905 2.653 1.00 0.00 O ATOM 14 CB ILE A 2 -8.465 3.210 2.282 1.00 0.00 C ATOM 15 CG1 ILE A 2 -9.520 2.679 3.257 1.00 0.00 C ATOM 16 CG2 ILE A 2 -8.747 2.720 0.870 1.00 0.00 C ATOM 17 CD1 ILE A 2 -9.934 3.687 4.306 1.00 0.00 C ATOM 0 H ILE A 2 -7.504 3.261 4.695 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.861 1.787 2.278 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.514 4.299 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -10.401 2.370 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.130 1.790 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.747 3.032 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.013 3.144 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.683 1.632 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.683 3.243 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.064 3.978 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.354 4.567 3.819 1.00 0.00 H new ATOM 29 N VAL A 3 -5.248 3.321 1.214 1.00 0.00 N ATOM 30 CA VAL A 3 -4.200 4.135 0.597 1.00 0.00 C ATOM 31 C VAL A 3 -4.632 5.590 0.391 1.00 0.00 C ATOM 32 O VAL A 3 -5.148 5.962 -0.663 1.00 0.00 O ATOM 33 CB VAL A 3 -3.769 3.511 -0.753 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.269 4.559 -1.738 1.00 0.00 C ATOM 35 CG2 VAL A 3 -2.703 2.454 -0.522 1.00 0.00 C ATOM 0 H VAL A 3 -5.317 2.379 0.830 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.354 4.146 1.284 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.651 3.047 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.978 4.073 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.062 5.280 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.408 5.075 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.407 2.021 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.835 2.910 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.101 1.671 0.123 1.00 0.00 H new ATOM 45 N GLU A 4 -4.410 6.407 1.414 1.00 0.00 N ATOM 46 CA GLU A 4 -4.753 7.821 1.361 1.00 0.00 C ATOM 47 C GLU A 4 -3.575 8.664 0.873 1.00 0.00 C ATOM 48 O GLU A 4 -3.763 9.744 0.312 1.00 0.00 O ATOM 49 CB GLU A 4 -5.205 8.303 2.740 1.00 0.00 C ATOM 50 CG GLU A 4 -6.655 7.970 3.054 1.00 0.00 C ATOM 51 CD GLU A 4 -7.252 8.892 4.098 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.733 9.981 3.724 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.239 8.524 5.292 1.00 0.00 O ATOM 0 H GLU A 4 -3.991 6.111 2.295 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.570 7.941 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.565 7.855 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.067 9.382 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.245 8.033 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.720 6.940 3.405 1.00 0.00 H new ATOM 60 N GLN A 5 -2.357 8.181 1.118 1.00 0.00 N ATOM 61 CA GLN A 5 -1.148 8.910 0.736 1.00 0.00 C ATOM 62 C GLN A 5 -0.662 8.560 -0.670 1.00 0.00 C ATOM 63 O GLN A 5 -0.131 9.419 -1.374 1.00 0.00 O ATOM 64 CB GLN A 5 -0.031 8.638 1.745 1.00 0.00 C ATOM 65 CG GLN A 5 -0.056 9.569 2.946 1.00 0.00 C ATOM 66 CD GLN A 5 1.122 9.351 3.877 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.072 8.511 4.774 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.190 10.111 3.664 1.00 0.00 N ATOM 0 H GLN A 5 -2.182 7.288 1.579 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.407 9.969 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.110 7.608 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.932 8.732 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.055 10.603 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.984 9.419 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.186 10.795 2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.014 10.011 4.257 1.00 0.00 H new ATOM 77 N CYS A 6 -0.820 7.307 -1.077 1.00 0.00 N ATOM 78 CA CYS A 6 -0.363 6.890 -2.405 1.00 0.00 C ATOM 79 C CYS A 6 -1.208 7.531 -3.494 1.00 0.00 C ATOM 80 O CYS A 6 -0.699 7.870 -4.563 1.00 0.00 O ATOM 81 CB CYS A 6 -0.374 5.364 -2.565 1.00 0.00 C ATOM 82 SG CYS A 6 -0.250 4.416 -1.009 1.00 0.00 S ATOM 0 H CYS A 6 -1.253 6.570 -0.521 1.00 0.00 H new ATOM 0 HA CYS A 6 0.668 7.230 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.293 5.075 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.454 5.077 -3.213 1.00 0.00 H new ATOM 87 N CYS A 7 -2.495 7.699 -3.225 1.00 0.00 N ATOM 88 CA CYS A 7 -3.391 8.305 -4.200 1.00 0.00 C ATOM 89 C CYS A 7 -3.460 9.825 -4.036 1.00 0.00 C ATOM 90 O CYS A 7 -4.359 10.474 -4.570 1.00 0.00 O ATOM 91 CB CYS A 7 -4.782 7.682 -4.099 1.00 0.00 C ATOM 92 SG CYS A 7 -5.905 8.128 -5.463 1.00 0.00 S ATOM 0 H CYS A 7 -2.939 7.427 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.990 8.106 -5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.680 6.597 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.236 7.986 -3.156 1.00 0.00 H new ATOM 97 N THR A 8 -2.497 10.389 -3.308 1.00 0.00 N ATOM 98 CA THR A 8 -2.441 11.835 -3.093 1.00 0.00 C ATOM 99 C THR A 8 -1.008 12.352 -3.264 1.00 0.00 C ATOM 100 O THR A 8 -0.785 13.426 -3.821 1.00 0.00 O ATOM 101 CB THR A 8 -2.983 12.197 -1.703 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.383 13.554 -1.661 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.989 11.980 -0.581 1.00 0.00 C ATOM 0 H THR A 8 -1.745 9.867 -2.857 1.00 0.00 H new ATOM 0 HA THR A 8 -3.070 12.316 -3.842 1.00 0.00 H new ATOM 0 HB THR A 8 -3.826 11.524 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.727 13.766 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.446 12.258 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.699 10.930 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.106 12.596 -0.753 1.00 0.00 H new ATOM 111 N SER A 9 -0.044 11.570 -2.784 1.00 0.00 N ATOM 112 CA SER A 9 1.369 11.922 -2.881 1.00 0.00 C ATOM 113 C SER A 9 2.205 10.659 -3.081 1.00 0.00 C ATOM 114 O SER A 9 1.678 9.626 -3.494 1.00 0.00 O ATOM 115 CB SER A 9 1.819 12.662 -1.617 1.00 0.00 C ATOM 116 OG SER A 9 2.791 13.648 -1.919 1.00 0.00 O ATOM 0 H SER A 9 -0.220 10.679 -2.319 1.00 0.00 H new ATOM 0 HA SER A 9 1.512 12.581 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.958 13.131 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.230 11.949 -0.902 1.00 0.00 H new ATOM 0 HG SER A 9 3.059 14.106 -1.095 1.00 0.00 H new ATOM 122 N ILE A 10 3.502 10.728 -2.782 1.00 0.00 N ATOM 123 CA ILE A 10 4.365 9.571 -2.939 1.00 0.00 C ATOM 124 C ILE A 10 4.191 8.610 -1.776 1.00 0.00 C ATOM 125 O ILE A 10 4.284 8.995 -0.611 1.00 0.00 O ATOM 126 CB ILE A 10 5.856 9.957 -3.071 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.777 8.781 -2.753 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.189 11.093 -2.153 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.366 7.489 -3.404 1.00 0.00 C ATOM 0 H ILE A 10 3.969 11.566 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 10 4.064 9.084 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 10 6.015 10.256 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.790 9.030 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.807 8.638 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.243 11.350 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.576 11.958 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.990 10.798 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.070 6.703 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.366 7.214 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.364 7.612 -4.487 1.00 0.00 H new ATOM 141 N CYS A 11 3.939 7.355 -2.111 1.00 0.00 N ATOM 142 CA CYS A 11 3.752 6.323 -1.101 1.00 0.00 C ATOM 143 C CYS A 11 5.005 5.472 -0.947 1.00 0.00 C ATOM 144 O CYS A 11 5.612 5.059 -1.931 1.00 0.00 O ATOM 145 CB CYS A 11 2.563 5.436 -1.461 1.00 0.00 C ATOM 146 SG CYS A 11 1.385 5.192 -0.095 1.00 0.00 S ATOM 0 H CYS A 11 3.859 7.025 -3.073 1.00 0.00 H new ATOM 0 HA CYS A 11 3.554 6.818 -0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.036 5.877 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.933 4.464 -1.787 1.00 0.00 H new ATOM 151 N SER A 12 5.388 5.207 0.291 1.00 0.00 N ATOM 152 CA SER A 12 6.577 4.407 0.552 1.00 0.00 C ATOM 153 C SER A 12 6.286 2.927 0.331 1.00 0.00 C ATOM 154 O SER A 12 5.335 2.373 0.880 1.00 0.00 O ATOM 155 CB SER A 12 7.070 4.635 1.982 1.00 0.00 C ATOM 156 OG SER A 12 8.472 4.835 2.009 1.00 0.00 O ATOM 0 H SER A 12 4.899 5.530 1.126 1.00 0.00 H new ATOM 0 HA SER A 12 7.357 4.717 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.567 5.502 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.809 3.777 2.602 1.00 0.00 H new ATOM 0 HG SER A 12 8.764 4.980 2.933 1.00 0.00 H new ATOM 162 N LEU A 13 7.118 2.307 -0.504 1.00 0.00 N ATOM 163 CA LEU A 13 6.985 0.894 -0.855 1.00 0.00 C ATOM 164 C LEU A 13 6.591 0.038 0.345 1.00 0.00 C ATOM 165 O LEU A 13 5.847 -0.932 0.205 1.00 0.00 O ATOM 166 CB LEU A 13 8.303 0.391 -1.448 1.00 0.00 C ATOM 167 CG LEU A 13 8.289 -1.035 -2.004 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.611 -2.033 -0.905 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.946 -1.357 -2.647 1.00 0.00 C ATOM 0 H LEU A 13 7.905 2.771 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 13 6.186 0.806 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.600 1.069 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.071 0.452 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 13 9.056 -1.108 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.597 -3.043 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.600 -1.820 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.867 -1.953 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.963 -2.376 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.155 -1.264 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.758 -0.661 -3.465 1.00 0.00 H new ATOM 181 N TYR A 14 7.086 0.400 1.521 1.00 0.00 N ATOM 182 CA TYR A 14 6.770 -0.343 2.732 1.00 0.00 C ATOM 183 C TYR A 14 5.264 -0.357 2.968 1.00 0.00 C ATOM 184 O TYR A 14 4.676 -1.401 3.256 1.00 0.00 O ATOM 185 CB TYR A 14 7.485 0.269 3.940 1.00 0.00 C ATOM 186 CG TYR A 14 7.999 -0.760 4.924 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.797 -1.815 4.500 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.684 -0.678 6.274 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.268 -2.758 5.393 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.151 -1.617 7.174 1.00 0.00 C ATOM 191 CZ TYR A 14 8.943 -2.655 6.729 1.00 0.00 C ATOM 192 OH TYR A 14 9.408 -3.593 7.620 1.00 0.00 O ATOM 0 H TYR A 14 7.704 1.199 1.661 1.00 0.00 H new ATOM 0 HA TYR A 14 7.116 -1.369 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.321 0.874 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.799 0.942 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.054 -1.899 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.064 0.133 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.888 -3.572 5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.897 -1.538 8.221 1.00 0.00 H new ATOM 0 HH TYR A 14 9.089 -3.375 8.521 1.00 0.00 H new ATOM 202 N GLN A 15 4.651 0.813 2.832 1.00 0.00 N ATOM 203 CA GLN A 15 3.212 0.960 3.026 1.00 0.00 C ATOM 204 C GLN A 15 2.428 -0.030 2.170 1.00 0.00 C ATOM 205 O GLN A 15 1.440 -0.605 2.624 1.00 0.00 O ATOM 206 CB GLN A 15 2.775 2.387 2.693 1.00 0.00 C ATOM 207 CG GLN A 15 3.032 3.381 3.814 1.00 0.00 C ATOM 208 CD GLN A 15 3.276 4.786 3.301 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.310 5.021 2.093 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.450 5.732 4.217 1.00 0.00 N ATOM 0 H GLN A 15 5.131 1.679 2.587 1.00 0.00 H new ATOM 0 HA GLN A 15 2.998 0.749 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.300 2.719 1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.711 2.386 2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.178 3.388 4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.895 3.054 4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.414 5.495 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.619 6.696 3.929 1.00 0.00 H new ATOM 219 N LEU A 16 2.866 -0.226 0.929 1.00 0.00 N ATOM 220 CA LEU A 16 2.187 -1.149 0.026 1.00 0.00 C ATOM 221 C LEU A 16 2.203 -2.568 0.586 1.00 0.00 C ATOM 222 O LEU A 16 1.158 -3.205 0.717 1.00 0.00 O ATOM 223 CB LEU A 16 2.840 -1.122 -1.358 1.00 0.00 C ATOM 224 CG LEU A 16 2.374 0.011 -2.277 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.855 0.027 -2.382 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.890 1.352 -1.775 1.00 0.00 C ATOM 0 H LEU A 16 3.681 0.238 0.529 1.00 0.00 H new ATOM 0 HA LEU A 16 1.150 -0.827 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.920 -1.045 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.645 -2.073 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 16 2.783 -0.164 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.544 0.839 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.508 -0.923 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.423 0.176 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.549 2.145 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.511 1.534 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.980 1.338 -1.755 1.00 0.00 H new ATOM 238 N GLU A 17 3.396 -3.058 0.915 1.00 0.00 N ATOM 239 CA GLU A 17 3.554 -4.403 1.461 1.00 0.00 C ATOM 240 C GLU A 17 2.517 -4.700 2.546 1.00 0.00 C ATOM 241 O GLU A 17 2.121 -5.849 2.741 1.00 0.00 O ATOM 242 CB GLU A 17 4.960 -4.581 2.035 1.00 0.00 C ATOM 243 CG GLU A 17 5.406 -6.032 2.101 1.00 0.00 C ATOM 244 CD GLU A 17 4.877 -6.749 3.326 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.921 -6.157 4.425 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.418 -7.903 3.188 1.00 0.00 O ATOM 0 H GLU A 17 4.270 -2.542 0.812 1.00 0.00 H new ATOM 0 HA GLU A 17 3.400 -5.106 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.667 -4.019 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.992 -4.153 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.068 -6.553 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.495 -6.074 2.102 1.00 0.00 H new ATOM 253 N ASN A 18 2.087 -3.659 3.254 1.00 0.00 N ATOM 254 CA ASN A 18 1.103 -3.815 4.321 1.00 0.00 C ATOM 255 C ASN A 18 -0.261 -4.224 3.769 1.00 0.00 C ATOM 256 O ASN A 18 -1.023 -4.924 4.434 1.00 0.00 O ATOM 257 CB ASN A 18 0.971 -2.516 5.120 1.00 0.00 C ATOM 258 CG ASN A 18 0.096 -2.679 6.348 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.872 -1.942 6.536 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.430 -3.649 7.192 1.00 0.00 N ATOM 0 H ASN A 18 2.404 -2.700 3.109 1.00 0.00 H new ATOM 0 HA ASN A 18 1.455 -4.609 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.961 -2.178 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.553 -1.740 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.124 -3.806 8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.240 -4.237 6.998 1.00 0.00 H new ATOM 267 N TYR A 19 -0.565 -3.784 2.550 1.00 0.00 N ATOM 268 CA TYR A 19 -1.842 -4.110 1.918 1.00 0.00 C ATOM 269 C TYR A 19 -1.860 -5.550 1.402 1.00 0.00 C ATOM 270 O TYR A 19 -2.874 -6.015 0.881 1.00 0.00 O ATOM 271 CB TYR A 19 -2.134 -3.135 0.775 1.00 0.00 C ATOM 272 CG TYR A 19 -2.501 -1.745 1.246 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.528 -0.879 1.728 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.818 -1.298 1.214 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.851 0.389 2.164 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.149 -0.029 1.650 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.162 0.810 2.123 1.00 0.00 C ATOM 278 OH TYR A 19 -3.486 2.074 2.560 1.00 0.00 O ATOM 0 H TYR A 19 0.052 -3.203 1.982 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.621 -4.016 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.258 -3.072 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.949 -3.532 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.499 -1.205 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.593 -1.952 0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.080 1.048 2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.176 0.304 1.620 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.185 2.014 3.245 1.00 0.00 H new ATOM 288 N CYS A 20 -0.739 -6.254 1.549 1.00 0.00 N ATOM 289 CA CYS A 20 -0.639 -7.639 1.098 1.00 0.00 C ATOM 290 C CYS A 20 -1.409 -8.574 2.023 1.00 0.00 C ATOM 291 O CYS A 20 -1.468 -8.357 3.234 1.00 0.00 O ATOM 292 CB CYS A 20 0.824 -8.072 1.038 1.00 0.00 C ATOM 293 SG CYS A 20 1.870 -7.007 0.001 1.00 0.00 S ATOM 0 H CYS A 20 0.112 -5.888 1.977 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.076 -7.698 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.229 -8.087 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.875 -9.093 0.659 1.00 0.00 H new ATOM 298 N ASN A 21 -1.991 -9.621 1.444 1.00 0.00 N ATOM 299 CA ASN A 21 -2.754 -10.603 2.212 1.00 0.00 C ATOM 300 C ASN A 21 -3.765 -9.928 3.135 1.00 0.00 C ATOM 301 O ASN A 21 -3.893 -8.704 3.149 1.00 0.00 O ATOM 302 CB ASN A 21 -1.808 -11.480 3.033 1.00 0.00 C ATOM 303 CG ASN A 21 -2.367 -12.869 3.267 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.578 -13.633 2.325 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.612 -13.203 4.529 1.00 0.00 N ATOM 0 H ASN A 21 -1.949 -9.812 0.443 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.303 -11.224 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.851 -11.558 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.615 -11.002 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.990 -14.125 4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.422 -12.538 5.279 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 7.392 1.019 -8.767 1.00 0.00 N ATOM 314 CA PHE B 1 7.221 2.466 -8.730 1.00 0.00 C ATOM 315 C PHE B 1 8.444 3.143 -8.097 1.00 0.00 C ATOM 316 O PHE B 1 9.516 2.544 -8.013 1.00 0.00 O ATOM 317 CB PHE B 1 5.974 2.796 -7.910 1.00 0.00 C ATOM 318 CG PHE B 1 6.280 2.880 -6.449 1.00 0.00 C ATOM 319 CD1 PHE B 1 6.820 1.795 -5.781 1.00 0.00 C ATOM 320 CD2 PHE B 1 6.082 4.058 -5.761 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.151 1.884 -4.448 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.406 4.156 -4.429 1.00 0.00 C ATOM 323 CZ PHE B 1 6.944 3.068 -3.768 1.00 0.00 C ATOM 0 H1 PHE B 1 7.389 0.694 -9.755 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.297 0.765 -8.322 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.612 0.564 -8.250 1.00 0.00 H new ATOM 0 HA PHE B 1 7.112 2.836 -9.749 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.555 3.743 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.214 2.033 -8.080 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.983 0.868 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.668 4.913 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.571 1.031 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.240 5.082 -3.899 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.202 3.144 -2.722 1.00 0.00 H new ATOM 333 N VAL B 2 8.267 4.389 -7.637 1.00 0.00 N ATOM 334 CA VAL B 2 9.349 5.141 -6.997 1.00 0.00 C ATOM 335 C VAL B 2 8.812 6.228 -6.074 1.00 0.00 C ATOM 336 O VAL B 2 7.616 6.272 -5.794 1.00 0.00 O ATOM 337 CB VAL B 2 10.270 5.782 -8.040 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.771 4.716 -8.978 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.550 6.884 -8.806 1.00 0.00 C ATOM 0 H VAL B 2 7.384 4.895 -7.697 1.00 0.00 H new ATOM 0 HA VAL B 2 9.917 4.424 -6.404 1.00 0.00 H new ATOM 0 HB VAL B 2 11.117 6.242 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.427 5.166 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.324 3.965 -8.413 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.925 4.244 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.228 7.321 -9.539 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.684 6.465 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.222 7.656 -8.110 1.00 0.00 H new ATOM 349 N ASN B 3 9.704 7.103 -5.607 1.00 0.00 N ATOM 350 CA ASN B 3 9.311 8.191 -4.714 1.00 0.00 C ATOM 351 C ASN B 3 8.440 9.212 -5.444 1.00 0.00 C ATOM 352 O ASN B 3 8.827 10.370 -5.608 1.00 0.00 O ATOM 353 CB ASN B 3 10.534 8.894 -4.118 1.00 0.00 C ATOM 354 CG ASN B 3 11.693 7.946 -3.861 1.00 0.00 C ATOM 355 OD1 ASN B 3 12.688 7.951 -4.586 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.568 7.126 -2.823 1.00 0.00 N ATOM 0 H ASN B 3 10.699 7.079 -5.832 1.00 0.00 H new ATOM 0 HA ASN B 3 8.734 7.747 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.860 9.683 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.250 9.375 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.314 6.467 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.726 7.155 -2.248 1.00 0.00 H new ATOM 363 N GLN B 4 7.264 8.776 -5.880 1.00 0.00 N ATOM 364 CA GLN B 4 6.341 9.649 -6.593 1.00 0.00 C ATOM 365 C GLN B 4 4.884 9.296 -6.291 1.00 0.00 C ATOM 366 O GLN B 4 4.587 8.284 -5.645 1.00 0.00 O ATOM 367 CB GLN B 4 6.595 9.568 -8.101 1.00 0.00 C ATOM 368 CG GLN B 4 6.270 8.210 -8.703 1.00 0.00 C ATOM 369 CD GLN B 4 5.680 8.318 -10.095 1.00 0.00 C ATOM 370 OE1 GLN B 4 4.692 9.020 -10.310 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.286 7.623 -11.052 1.00 0.00 N ATOM 0 H GLN B 4 6.927 7.822 -5.752 1.00 0.00 H new ATOM 0 HA GLN B 4 6.518 10.668 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.999 10.330 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.641 9.802 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.177 7.607 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.568 7.687 -8.054 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.103 7.054 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.935 7.659 -12.009 1.00 0.00 H new ATOM 380 N HIS B 5 3.979 10.144 -6.769 1.00 0.00 N ATOM 381 CA HIS B 5 2.551 9.941 -6.565 1.00 0.00 C ATOM 382 C HIS B 5 2.090 8.647 -7.226 1.00 0.00 C ATOM 383 O HIS B 5 2.755 8.123 -8.119 1.00 0.00 O ATOM 384 CB HIS B 5 1.761 11.126 -7.124 1.00 0.00 C ATOM 385 CG HIS B 5 2.368 12.456 -6.798 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.185 12.831 -5.786 1.00 0.00 N flip ATOM 387 CD2 HIS B 5 2.163 13.587 -7.560 1.00 0.00 C flip ATOM 388 CE1 HIS B 5 3.454 14.168 -5.953 1.00 0.00 C flip ATOM 389 NE2 HIS B 5 2.827 14.599 -7.031 1.00 0.00 N flip ATOM 0 H HIS B 5 4.212 10.982 -7.303 1.00 0.00 H new ATOM 0 HA HIS B 5 2.367 9.867 -5.493 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.687 11.025 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.745 11.093 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.554 13.637 -8.451 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.077 14.768 -5.307 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.851 15.552 -7.394 1.00 0.00 H new ATOM 398 N LEU B 6 0.948 8.135 -6.781 1.00 0.00 N ATOM 399 CA LEU B 6 0.403 6.900 -7.329 1.00 0.00 C ATOM 400 C LEU B 6 -1.109 6.866 -7.159 1.00 0.00 C ATOM 401 O LEU B 6 -1.711 7.876 -6.809 1.00 0.00 O ATOM 402 CB LEU B 6 1.038 5.692 -6.635 1.00 0.00 C ATOM 403 CG LEU B 6 2.539 5.516 -6.877 1.00 0.00 C ATOM 404 CD1 LEU B 6 3.097 4.413 -5.989 1.00 0.00 C ATOM 405 CD2 LEU B 6 2.811 5.212 -8.344 1.00 0.00 C ATOM 0 H LEU B 6 0.383 8.556 -6.043 1.00 0.00 H new ATOM 0 HA LEU B 6 0.634 6.859 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.867 5.778 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.524 4.790 -6.968 1.00 0.00 H new ATOM 0 HG LEU B 6 3.041 6.449 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.165 4.302 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.936 4.672 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.590 3.474 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.883 5.090 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.297 4.293 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.448 6.035 -8.960 1.00 0.00 H new ATOM 417 N CYS B 7 -1.699 5.692 -7.411 1.00 0.00 N ATOM 418 CA CYS B 7 -3.146 5.463 -7.295 1.00 0.00 C ATOM 419 C CYS B 7 -3.616 4.536 -8.412 1.00 0.00 C ATOM 420 O CYS B 7 -3.047 4.530 -9.503 1.00 0.00 O ATOM 421 CB CYS B 7 -3.944 6.773 -7.335 1.00 0.00 C ATOM 422 SG CYS B 7 -5.678 6.615 -6.801 1.00 0.00 S ATOM 0 H CYS B 7 -1.180 4.864 -7.705 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.327 4.998 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.447 7.507 -6.700 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.924 7.165 -8.352 1.00 0.00 H new HETATM 427 N DSN B 8 -4.656 3.756 -8.138 1.00 0.00 N HETATM 428 CA DSN B 8 -5.197 2.830 -9.123 1.00 0.00 C HETATM 429 C DSN B 8 -4.094 1.944 -9.723 1.00 0.00 C HETATM 430 O DSN B 8 -3.101 1.651 -9.058 1.00 0.00 O HETATM 431 CB DSN B 8 -6.185 1.873 -8.410 1.00 0.00 C HETATM 432 OG DSN B 8 -6.773 0.916 -9.299 1.00 0.00 O HETATM 0 HG DSN B 8 -7.385 0.337 -8.798 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.661 1.346 -7.612 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.975 2.459 -7.940 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.672 3.418 -9.908 1.00 0.00 H new HETATM 0 H2 DSN B 8 -5.276 4.408 -7.656 1.00 0.00 H new ATOM 438 N SER B 9 -4.279 1.514 -10.977 1.00 0.00 N ATOM 439 CA SER B 9 -3.308 0.653 -11.666 1.00 0.00 C ATOM 440 C SER B 9 -1.863 1.056 -11.365 1.00 0.00 C ATOM 441 O SER B 9 -0.971 0.210 -11.315 1.00 0.00 O ATOM 442 CB SER B 9 -3.551 0.690 -13.176 1.00 0.00 C ATOM 443 OG SER B 9 -4.443 -0.336 -13.575 1.00 0.00 O ATOM 0 H SER B 9 -5.097 1.750 -11.539 1.00 0.00 H new ATOM 0 HA SER B 9 -3.453 -0.361 -11.293 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.959 1.661 -13.458 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.603 0.577 -13.703 1.00 0.00 H new ATOM 0 HG SER B 9 -4.583 -0.289 -14.544 1.00 0.00 H new ATOM 449 N ASP B 10 -1.643 2.348 -11.156 1.00 0.00 N ATOM 450 CA ASP B 10 -0.307 2.855 -10.847 1.00 0.00 C ATOM 451 C ASP B 10 0.095 2.417 -9.450 1.00 0.00 C ATOM 452 O ASP B 10 1.098 1.728 -9.264 1.00 0.00 O ATOM 453 CB ASP B 10 -0.268 4.382 -10.949 1.00 0.00 C ATOM 454 CG ASP B 10 0.246 4.860 -12.293 1.00 0.00 C ATOM 455 OD1 ASP B 10 -0.570 4.979 -13.231 1.00 0.00 O ATOM 456 OD2 ASP B 10 1.463 5.118 -12.406 1.00 0.00 O ATOM 0 H ASP B 10 -2.368 3.064 -11.194 1.00 0.00 H new ATOM 0 HA ASP B 10 0.397 2.446 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.269 4.780 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.368 4.780 -10.158 1.00 0.00 H new ATOM 461 N LEU B 11 -0.718 2.797 -8.469 1.00 0.00 N ATOM 462 CA LEU B 11 -0.475 2.420 -7.085 1.00 0.00 C ATOM 463 C LEU B 11 -0.372 0.902 -6.989 1.00 0.00 C ATOM 464 O LEU B 11 0.332 0.360 -6.137 1.00 0.00 O ATOM 465 CB LEU B 11 -1.605 2.954 -6.199 1.00 0.00 C ATOM 466 CG LEU B 11 -1.766 2.275 -4.844 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.611 2.638 -3.929 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.094 2.665 -4.220 1.00 0.00 C ATOM 0 H LEU B 11 -1.552 3.367 -8.610 1.00 0.00 H new ATOM 0 HA LEU B 11 0.462 2.855 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.438 4.018 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.544 2.860 -6.745 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.757 1.195 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.741 2.145 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.326 2.312 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.588 3.718 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.199 2.175 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.129 3.746 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.909 2.355 -4.874 1.00 0.00 H new ATOM 480 N VAL B 12 -1.064 0.232 -7.903 1.00 0.00 N ATOM 481 CA VAL B 12 -1.052 -1.218 -7.979 1.00 0.00 C ATOM 482 C VAL B 12 0.341 -1.691 -8.358 1.00 0.00 C ATOM 483 O VAL B 12 0.860 -2.648 -7.789 1.00 0.00 O ATOM 484 CB VAL B 12 -2.082 -1.715 -9.016 1.00 0.00 C ATOM 485 CG1 VAL B 12 -1.749 -3.110 -9.508 1.00 0.00 C ATOM 486 CG2 VAL B 12 -3.481 -1.681 -8.435 1.00 0.00 C ATOM 0 H VAL B 12 -1.647 0.681 -8.610 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.323 -1.627 -7.006 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.039 -1.041 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.495 -3.427 -10.236 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.765 -3.105 -9.976 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.747 -3.802 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.193 -2.035 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.526 -2.324 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.732 -0.659 -8.150 1.00 0.00 H new ATOM 496 N GLU B 13 0.951 -0.993 -9.310 1.00 0.00 N ATOM 497 CA GLU B 13 2.301 -1.324 -9.747 1.00 0.00 C ATOM 498 C GLU B 13 3.203 -1.481 -8.530 1.00 0.00 C ATOM 499 O GLU B 13 4.116 -2.307 -8.513 1.00 0.00 O ATOM 500 CB GLU B 13 2.848 -0.235 -10.671 1.00 0.00 C ATOM 501 CG GLU B 13 3.755 -0.767 -11.768 1.00 0.00 C ATOM 502 CD GLU B 13 3.076 -1.816 -12.627 1.00 0.00 C ATOM 503 OE1 GLU B 13 1.943 -1.563 -13.088 1.00 0.00 O ATOM 504 OE2 GLU B 13 3.677 -2.891 -12.838 1.00 0.00 O ATOM 0 H GLU B 13 0.533 -0.197 -9.792 1.00 0.00 H new ATOM 0 HA GLU B 13 2.275 -2.262 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.013 0.296 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.400 0.492 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.079 0.060 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.651 -1.195 -11.318 1.00 0.00 H new ATOM 511 N ALA B 14 2.910 -0.692 -7.499 1.00 0.00 N ATOM 512 CA ALA B 14 3.659 -0.745 -6.255 1.00 0.00 C ATOM 513 C ALA B 14 3.159 -1.902 -5.398 1.00 0.00 C ATOM 514 O ALA B 14 3.951 -2.640 -4.809 1.00 0.00 O ATOM 515 CB ALA B 14 3.537 0.576 -5.505 1.00 0.00 C ATOM 0 H ALA B 14 2.155 -0.007 -7.505 1.00 0.00 H new ATOM 0 HA ALA B 14 4.713 -0.909 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.103 0.520 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.932 1.383 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.489 0.771 -5.280 1.00 0.00 H new ATOM 521 N LEU B 15 1.837 -2.067 -5.347 1.00 0.00 N ATOM 522 CA LEU B 15 1.233 -3.149 -4.579 1.00 0.00 C ATOM 523 C LEU B 15 1.681 -4.500 -5.131 1.00 0.00 C ATOM 524 O LEU B 15 1.867 -5.459 -4.383 1.00 0.00 O ATOM 525 CB LEU B 15 -0.306 -3.051 -4.610 1.00 0.00 C ATOM 526 CG LEU B 15 -0.981 -2.749 -3.261 1.00 0.00 C ATOM 527 CD1 LEU B 15 -2.468 -3.097 -3.297 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.293 -3.506 -2.140 1.00 0.00 C ATOM 0 H LEU B 15 1.168 -1.466 -5.828 1.00 0.00 H new ATOM 0 HA LEU B 15 1.563 -3.059 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.588 -2.273 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.704 -3.991 -4.993 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.887 -1.679 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.918 -2.873 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.961 -2.509 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.588 -4.158 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.784 -3.280 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.353 -4.577 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.753 -3.205 -2.087 1.00 0.00 H new ATOM 540 N TYR B 16 1.854 -4.561 -6.448 1.00 0.00 N ATOM 541 CA TYR B 16 2.280 -5.786 -7.119 1.00 0.00 C ATOM 542 C TYR B 16 3.723 -6.132 -6.765 1.00 0.00 C ATOM 543 O TYR B 16 4.098 -7.303 -6.727 1.00 0.00 O ATOM 544 CB TYR B 16 2.146 -5.628 -8.637 1.00 0.00 C ATOM 545 CG TYR B 16 0.870 -6.208 -9.205 1.00 0.00 C ATOM 546 CD1 TYR B 16 0.520 -7.533 -8.972 1.00 0.00 C ATOM 547 CD2 TYR B 16 0.016 -5.431 -9.978 1.00 0.00 C ATOM 548 CE1 TYR B 16 -0.645 -8.064 -9.491 1.00 0.00 C ATOM 549 CE2 TYR B 16 -1.151 -5.955 -10.499 1.00 0.00 C ATOM 550 CZ TYR B 16 -1.476 -7.272 -10.252 1.00 0.00 C ATOM 551 OH TYR B 16 -2.638 -7.799 -10.770 1.00 0.00 O ATOM 0 H TYR B 16 1.705 -3.771 -7.076 1.00 0.00 H new ATOM 0 HA TYR B 16 1.637 -6.598 -6.779 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.194 -4.568 -8.887 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.998 -6.109 -9.119 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.169 -8.157 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.269 -4.400 -10.175 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.903 -9.095 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.805 -5.337 -11.096 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.111 -7.109 -11.281 1.00 0.00 H new ATOM 561 N LEU B 17 4.531 -5.107 -6.515 1.00 0.00 N ATOM 562 CA LEU B 17 5.933 -5.309 -6.173 1.00 0.00 C ATOM 563 C LEU B 17 6.069 -6.029 -4.839 1.00 0.00 C ATOM 564 O LEU B 17 6.492 -7.182 -4.784 1.00 0.00 O ATOM 565 CB LEU B 17 6.663 -3.965 -6.118 1.00 0.00 C ATOM 566 CG LEU B 17 7.949 -3.892 -6.940 1.00 0.00 C ATOM 567 CD1 LEU B 17 7.658 -4.163 -8.407 1.00 0.00 C ATOM 568 CD2 LEU B 17 8.612 -2.535 -6.766 1.00 0.00 C ATOM 0 H LEU B 17 4.239 -4.130 -6.543 1.00 0.00 H new ATOM 0 HA LEU B 17 6.385 -5.930 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.984 -3.186 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.901 -3.741 -5.078 1.00 0.00 H new ATOM 0 HG LEU B 17 8.635 -4.658 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.585 -4.107 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.225 -5.158 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.955 -3.419 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.527 -2.498 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.932 -1.752 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.854 -2.380 -5.714 1.00 0.00 H new ATOM 580 N VAL B 18 5.709 -5.336 -3.766 1.00 0.00 N ATOM 581 CA VAL B 18 5.795 -5.909 -2.428 1.00 0.00 C ATOM 582 C VAL B 18 5.014 -7.213 -2.337 1.00 0.00 C ATOM 583 O VAL B 18 5.563 -8.254 -1.978 1.00 0.00 O ATOM 584 CB VAL B 18 5.283 -4.934 -1.348 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.382 -3.966 -0.964 1.00 0.00 C ATOM 586 CG2 VAL B 18 4.048 -4.170 -1.808 1.00 0.00 C ATOM 0 H VAL B 18 5.356 -4.380 -3.795 1.00 0.00 H new ATOM 0 HA VAL B 18 6.851 -6.106 -2.244 1.00 0.00 H new ATOM 0 HB VAL B 18 4.996 -5.525 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.013 -3.281 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.235 -4.520 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.691 -3.399 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.722 -3.495 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.289 -3.593 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.248 -4.875 -2.036 1.00 0.00 H new ATOM 596 N CYS B 19 3.734 -7.146 -2.666 1.00 0.00 N ATOM 597 CA CYS B 19 2.874 -8.326 -2.624 1.00 0.00 C ATOM 598 C CYS B 19 3.309 -9.361 -3.657 1.00 0.00 C ATOM 599 O CYS B 19 3.936 -10.363 -3.318 1.00 0.00 O ATOM 600 CB CYS B 19 1.412 -7.935 -2.859 1.00 0.00 C ATOM 601 SG CYS B 19 0.758 -6.717 -1.671 1.00 0.00 S ATOM 0 H CYS B 19 3.265 -6.291 -2.965 1.00 0.00 H new ATOM 0 HA CYS B 19 2.967 -8.770 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.314 -7.530 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.797 -8.834 -2.815 1.00 0.00 H new ATOM 606 N GLY B 20 2.968 -9.114 -4.919 1.00 0.00 N ATOM 607 CA GLY B 20 3.329 -10.038 -5.976 1.00 0.00 C ATOM 608 C GLY B 20 2.165 -10.913 -6.397 1.00 0.00 C ATOM 609 O GLY B 20 1.005 -10.553 -6.196 1.00 0.00 O ATOM 0 H GLY B 20 2.449 -8.291 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.690 -9.477 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.152 -10.669 -5.639 1.00 0.00 H new ATOM 613 N GLU B 21 2.475 -12.064 -6.982 1.00 0.00 N ATOM 614 CA GLU B 21 1.445 -12.992 -7.432 1.00 0.00 C ATOM 615 C GLU B 21 0.845 -13.771 -6.262 1.00 0.00 C ATOM 616 O GLU B 21 -0.151 -14.476 -6.424 1.00 0.00 O ATOM 617 CB GLU B 21 2.028 -13.964 -8.460 1.00 0.00 C ATOM 618 CG GLU B 21 0.970 -14.718 -9.248 1.00 0.00 C ATOM 619 CD GLU B 21 1.445 -16.085 -9.701 1.00 0.00 C ATOM 620 OE1 GLU B 21 1.434 -17.021 -8.874 1.00 0.00 O ATOM 621 OE2 GLU B 21 1.828 -16.220 -10.882 1.00 0.00 O ATOM 0 H GLU B 21 3.430 -12.377 -7.156 1.00 0.00 H new ATOM 0 HA GLU B 21 0.648 -12.409 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.661 -13.411 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.668 -14.682 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.077 -14.833 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.683 -14.130 -10.120 1.00 0.00 H new ATOM 628 N ARG B 22 1.452 -13.643 -5.083 1.00 0.00 N ATOM 629 CA ARG B 22 0.969 -14.340 -3.895 1.00 0.00 C ATOM 630 C ARG B 22 -0.491 -13.994 -3.611 1.00 0.00 C ATOM 631 O ARG B 22 -1.221 -14.786 -3.018 1.00 0.00 O ATOM 632 CB ARG B 22 1.838 -13.989 -2.685 1.00 0.00 C ATOM 633 CG ARG B 22 2.630 -15.171 -2.142 1.00 0.00 C ATOM 634 CD ARG B 22 4.109 -14.843 -1.998 1.00 0.00 C ATOM 635 NE ARG B 22 4.945 -15.684 -2.854 1.00 0.00 N ATOM 636 CZ ARG B 22 5.127 -15.468 -4.155 1.00 0.00 C ATOM 637 NH1 ARG B 22 4.537 -14.441 -4.753 1.00 0.00 N ATOM 638 NH2 ARG B 22 5.904 -16.280 -4.860 1.00 0.00 N ATOM 0 H ARG B 22 2.277 -13.064 -4.926 1.00 0.00 H new ATOM 0 HA ARG B 22 1.035 -15.412 -4.082 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.531 -13.195 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.202 -13.594 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.227 -15.464 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.510 -16.025 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.273 -13.795 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.409 -14.973 -0.958 1.00 0.00 H new ATOM 0 HE ARG B 22 5.416 -16.483 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.940 -13.812 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.680 -14.280 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.362 -17.070 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.043 -16.114 -5.857 1.00 0.00 H new ATOM 652 N GLY B 23 -0.909 -12.806 -4.040 1.00 0.00 N ATOM 653 CA GLY B 23 -2.279 -12.381 -3.821 1.00 0.00 C ATOM 654 C GLY B 23 -2.382 -11.244 -2.825 1.00 0.00 C ATOM 655 O GLY B 23 -1.848 -11.327 -1.718 1.00 0.00 O ATOM 0 H GLY B 23 -0.324 -12.132 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.715 -12.069 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.866 -13.227 -3.463 1.00 0.00 H new ATOM 659 N PHE B 24 -3.073 -10.179 -3.217 1.00 0.00 N ATOM 660 CA PHE B 24 -3.247 -9.020 -2.353 1.00 0.00 C ATOM 661 C PHE B 24 -4.502 -8.243 -2.732 1.00 0.00 C ATOM 662 O PHE B 24 -5.181 -8.573 -3.703 1.00 0.00 O ATOM 663 CB PHE B 24 -2.022 -8.102 -2.438 1.00 0.00 C ATOM 664 CG PHE B 24 -1.907 -7.366 -3.747 1.00 0.00 C ATOM 665 CD1 PHE B 24 -2.699 -6.259 -4.009 1.00 0.00 C ATOM 666 CD2 PHE B 24 -1.010 -7.785 -4.715 1.00 0.00 C ATOM 667 CE1 PHE B 24 -2.599 -5.584 -5.210 1.00 0.00 C ATOM 668 CE2 PHE B 24 -0.905 -7.113 -5.919 1.00 0.00 C ATOM 669 CZ PHE B 24 -1.700 -6.010 -6.166 1.00 0.00 C ATOM 0 H PHE B 24 -3.522 -10.096 -4.129 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.355 -9.377 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.066 -7.376 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.122 -8.697 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.404 -5.920 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.386 -8.646 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.224 -4.724 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.202 -7.450 -6.666 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.618 -5.483 -7.105 1.00 0.00 H new ATOM 679 N PHE B 25 -4.792 -7.198 -1.966 1.00 0.00 N ATOM 680 CA PHE B 25 -5.952 -6.358 -2.226 1.00 0.00 C ATOM 681 C PHE B 25 -5.761 -4.978 -1.613 1.00 0.00 C ATOM 682 O PHE B 25 -4.782 -4.728 -0.910 1.00 0.00 O ATOM 683 CB PHE B 25 -7.230 -7.005 -1.683 1.00 0.00 C ATOM 684 CG PHE B 25 -7.073 -7.661 -0.336 1.00 0.00 C ATOM 685 CD1 PHE B 25 -6.283 -7.090 0.651 1.00 0.00 C ATOM 686 CD2 PHE B 25 -7.727 -8.852 -0.059 1.00 0.00 C ATOM 687 CE1 PHE B 25 -6.148 -7.694 1.886 1.00 0.00 C ATOM 688 CE2 PHE B 25 -7.595 -9.459 1.176 1.00 0.00 C ATOM 689 CZ PHE B 25 -6.806 -8.879 2.149 1.00 0.00 C ATOM 0 H PHE B 25 -4.238 -6.913 -1.159 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.054 -6.251 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.007 -6.244 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.577 -7.751 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.767 -6.162 0.452 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.346 -9.310 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.528 -7.240 2.645 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.109 -10.387 1.380 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.704 -9.352 3.115 1.00 0.00 H new ATOM 699 N TYR B 26 -6.702 -4.084 -1.882 1.00 0.00 N ATOM 700 CA TYR B 26 -6.641 -2.730 -1.353 1.00 0.00 C ATOM 701 C TYR B 26 -7.663 -2.540 -0.234 1.00 0.00 C ATOM 702 O TYR B 26 -7.561 -1.601 0.553 1.00 0.00 O ATOM 703 CB TYR B 26 -6.894 -1.718 -2.467 1.00 0.00 C ATOM 704 CG TYR B 26 -5.681 -1.434 -3.327 1.00 0.00 C ATOM 705 CD1 TYR B 26 -4.705 -0.533 -2.913 1.00 0.00 C ATOM 706 CD2 TYR B 26 -5.520 -2.049 -4.563 1.00 0.00 C ATOM 707 CE1 TYR B 26 -3.612 -0.253 -3.705 1.00 0.00 C ATOM 708 CE2 TYR B 26 -4.427 -1.777 -5.355 1.00 0.00 C ATOM 709 CZ TYR B 26 -3.479 -0.876 -4.924 1.00 0.00 C ATOM 710 OH TYR B 26 -2.394 -0.600 -5.714 1.00 0.00 O ATOM 0 H TYR B 26 -7.518 -4.273 -2.464 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.644 -2.567 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.699 -2.086 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.239 -0.784 -2.024 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.805 -0.045 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.264 -2.752 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.865 0.451 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.314 -2.268 -6.310 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.590 -0.540 -5.157 1.00 0.00 H new ATOM 720 N THR B 27 -8.639 -3.449 -0.173 1.00 0.00 N ATOM 721 CA THR B 27 -9.686 -3.431 0.826 1.00 0.00 C ATOM 722 C THR B 27 -10.844 -4.287 0.352 1.00 0.00 C ATOM 723 O THR B 27 -11.287 -4.193 -0.793 1.00 0.00 O ATOM 724 CB THR B 27 -10.196 -2.028 1.132 1.00 0.00 C ATOM 725 OG1 THR B 27 -10.099 -1.186 -0.007 1.00 0.00 O ATOM 726 CG2 THR B 27 -9.468 -1.363 2.282 1.00 0.00 C ATOM 0 H THR B 27 -8.717 -4.225 -0.830 1.00 0.00 H new ATOM 0 HA THR B 27 -9.256 -3.825 1.747 1.00 0.00 H new ATOM 0 HB THR B 27 -11.239 -2.159 1.420 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.235 -0.723 0.001 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.880 -0.368 2.447 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.591 -1.961 3.185 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.408 -1.281 2.043 1.00 0.00 H new ATOM 734 N LYS B 28 -11.315 -5.118 1.247 1.00 0.00 N ATOM 735 CA LYS B 28 -12.425 -6.027 0.971 1.00 0.00 C ATOM 736 C LYS B 28 -13.582 -5.300 0.283 1.00 0.00 C ATOM 737 O LYS B 28 -14.344 -4.583 0.930 1.00 0.00 O ATOM 738 CB LYS B 28 -12.916 -6.668 2.270 1.00 0.00 C ATOM 739 CG LYS B 28 -12.222 -7.979 2.603 1.00 0.00 C ATOM 740 CD LYS B 28 -13.138 -9.171 2.373 1.00 0.00 C ATOM 741 CE LYS B 28 -13.353 -9.431 0.892 1.00 0.00 C ATOM 742 NZ LYS B 28 -13.473 -10.886 0.594 1.00 0.00 N ATOM 0 H LYS B 28 -10.945 -5.192 2.195 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.062 -6.803 0.298 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.764 -5.967 3.091 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.989 -6.844 2.196 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.327 -8.084 1.990 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.896 -7.965 3.643 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.708 -10.057 2.840 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.099 -8.991 2.855 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.255 -8.917 0.561 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.521 -9.012 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.619 -11.020 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.602 -11.373 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.282 -11.281 1.114 1.00 0.00 H new ATOM 756 N PRO B 29 -13.727 -5.474 -1.043 1.00 0.00 N ATOM 757 CA PRO B 29 -14.798 -4.829 -1.811 1.00 0.00 C ATOM 758 C PRO B 29 -16.182 -5.281 -1.357 1.00 0.00 C ATOM 759 O PRO B 29 -16.350 -5.770 -0.239 1.00 0.00 O ATOM 760 CB PRO B 29 -14.537 -5.279 -3.256 1.00 0.00 C ATOM 761 CG PRO B 29 -13.124 -5.754 -3.269 1.00 0.00 C ATOM 762 CD PRO B 29 -12.867 -6.307 -1.899 1.00 0.00 C ATOM 0 HA PRO B 29 -14.790 -3.746 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.222 -6.074 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.682 -4.457 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.975 -6.517 -4.033 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.439 -4.937 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.132 -7.362 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.817 -6.224 -1.620 1.00 0.00 H new ATOM 770 N THR B 30 -17.171 -5.117 -2.229 1.00 0.00 N ATOM 771 CA THR B 30 -18.541 -5.509 -1.915 1.00 0.00 C ATOM 772 C THR B 30 -19.067 -4.740 -0.708 1.00 0.00 C ATOM 773 O THR B 30 -19.739 -3.707 -0.914 1.00 0.00 O ATOM 774 CB THR B 30 -18.612 -7.013 -1.646 1.00 0.00 C ATOM 775 OG1 THR B 30 -17.691 -7.713 -2.463 1.00 0.00 O ATOM 776 CG2 THR B 30 -19.984 -7.602 -1.892 1.00 0.00 C ATOM 777 OXT THR B 30 -18.803 -5.175 0.431 1.00 0.00 O ATOM 0 H THR B 30 -17.050 -4.715 -3.159 1.00 0.00 H new ATOM 0 HA THR B 30 -19.167 -5.269 -2.775 1.00 0.00 H new ATOM 0 HB THR B 30 -18.370 -7.128 -0.590 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.751 -8.673 -2.275 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.964 -8.671 -1.682 1.00 0.00 H new ATOM 0 HG22 THR B 30 -20.710 -7.118 -1.239 1.00 0.00 H new ATOM 0 HG23 THR B 30 -20.268 -7.442 -2.932 1.00 0.00 H new TER 785 THR B 30