USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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: B 3 ASN :FLIP amide:sc= -0.0378 F(o=-1.4,f=0.052) USER MOD Set 1.2: B 5 HIS :FLIP no HD1:sc= 0.09 F(o=-1.3,f=0.052) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.225 X(o=-0.73,f=-0.54) USER MOD Set 2.2: A 19 TYR OH : rot 145:sc= -0.51 USER MOD Set 3.1: A 1 GLY N :NH3+ -132:sc= 0.169 (180deg=0) USER MOD Set 3.2: A 8 THR OG1 : rot -132:sc= 0.542 USER MOD Set 3.3: A 9 SER OG : rot 180:sc= 0.15 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.32) 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 18 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.15) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.106 F(o=-3.3!,f=-0.11) USER MOD Single : B 1 PHE N :NH3+ -135:sc= -1.21 (180deg=-1.55) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-3.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 61:sc= 0.15 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.662 4.707 1.474 1.00 0.00 N ATOM 2 CA GLY A 1 -7.438 3.528 2.363 1.00 0.00 C ATOM 3 C GLY A 1 -6.256 2.685 1.862 1.00 0.00 C ATOM 4 O GLY A 1 -5.233 2.603 2.512 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.761 5.565 2.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.852 4.816 0.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.529 4.563 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.244 3.866 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.339 2.916 2.397 1.00 0.00 H new ATOM 10 N ILE A 2 -6.450 2.086 0.714 1.00 0.00 N ATOM 11 CA ILE A 2 -5.418 1.224 0.056 1.00 0.00 C ATOM 12 C ILE A 2 -4.956 2.094 -1.136 1.00 0.00 C ATOM 13 O ILE A 2 -5.295 3.266 -1.204 1.00 0.00 O ATOM 14 CB ILE A 2 -6.090 -0.138 -0.392 1.00 0.00 C ATOM 15 CG1 ILE A 2 -6.984 -0.761 0.755 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.028 -1.228 -0.634 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.402 -0.154 0.867 1.00 0.00 C ATOM 0 H ILE A 2 -7.318 2.163 0.184 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.578 0.937 0.689 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.665 0.114 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.075 -1.834 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.471 -0.632 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.518 -2.152 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.345 -0.902 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.469 -1.402 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.943 -0.641 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.326 0.914 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.938 -0.307 -0.070 1.00 0.00 H new ATOM 29 N VAL A 3 -4.215 1.510 -2.035 1.00 0.00 N ATOM 30 CA VAL A 3 -3.715 2.268 -3.231 1.00 0.00 C ATOM 31 C VAL A 3 -4.443 1.863 -4.495 1.00 0.00 C ATOM 32 O VAL A 3 -5.402 1.123 -4.428 1.00 0.00 O ATOM 33 CB VAL A 3 -2.201 2.016 -3.443 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.449 2.729 -2.363 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.853 0.512 -3.438 1.00 0.00 C ATOM 0 H VAL A 3 -3.928 0.532 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.899 3.324 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.917 2.398 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.380 2.564 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.661 3.797 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.758 2.346 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.781 0.386 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.137 0.076 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.395 0.011 -4.240 1.00 0.00 H new ATOM 45 N GLU A 4 -3.906 2.412 -5.563 1.00 0.00 N ATOM 46 CA GLU A 4 -4.313 2.272 -6.990 1.00 0.00 C ATOM 47 C GLU A 4 -5.113 3.489 -7.463 1.00 0.00 C ATOM 48 O GLU A 4 -4.935 3.932 -8.580 1.00 0.00 O ATOM 49 CB GLU A 4 -5.163 0.977 -7.246 1.00 0.00 C ATOM 50 CG GLU A 4 -4.287 -0.144 -7.879 1.00 0.00 C ATOM 51 CD GLU A 4 -3.207 -0.624 -6.886 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.597 -1.279 -5.934 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.053 -0.310 -7.133 1.00 0.00 O ATOM 0 H GLU A 4 -3.098 3.028 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.386 2.197 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.589 0.625 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.998 1.209 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.918 -0.984 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.813 0.228 -8.787 1.00 0.00 H new ATOM 60 N GLN A 5 -5.963 3.997 -6.601 1.00 0.00 N ATOM 61 CA GLN A 5 -6.797 5.192 -6.954 1.00 0.00 C ATOM 62 C GLN A 5 -6.038 6.415 -6.412 1.00 0.00 C ATOM 63 O GLN A 5 -6.255 6.886 -5.312 1.00 0.00 O ATOM 64 CB GLN A 5 -8.191 5.086 -6.282 1.00 0.00 C ATOM 65 CG GLN A 5 -9.046 6.328 -6.681 1.00 0.00 C ATOM 66 CD GLN A 5 -10.291 6.439 -5.794 1.00 0.00 C ATOM 67 OE1 GLN A 5 -10.220 6.838 -4.649 1.00 0.00 O ATOM 68 NE2 GLN A 5 -11.450 6.095 -6.282 1.00 0.00 N ATOM 0 H GLN A 5 -6.116 3.632 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.956 5.266 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.691 4.169 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.083 5.036 -5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.446 7.233 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.344 6.249 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.519 5.759 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.287 6.162 -5.703 1.00 0.00 H new ATOM 77 N CYS A 6 -5.149 6.862 -7.259 1.00 0.00 N ATOM 78 CA CYS A 6 -4.263 8.036 -6.998 1.00 0.00 C ATOM 79 C CYS A 6 -4.096 8.577 -5.552 1.00 0.00 C ATOM 80 O CYS A 6 -4.598 9.630 -5.202 1.00 0.00 O ATOM 81 CB CYS A 6 -4.735 9.186 -7.868 1.00 0.00 C ATOM 82 SG CYS A 6 -4.668 9.087 -9.677 1.00 0.00 S ATOM 0 H CYS A 6 -4.994 6.435 -8.172 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.274 7.638 -7.225 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.773 9.383 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.158 10.063 -7.576 1.00 0.00 H new ATOM 87 N CYS A 7 -3.376 7.811 -4.769 1.00 0.00 N ATOM 88 CA CYS A 7 -3.078 8.138 -3.334 1.00 0.00 C ATOM 89 C CYS A 7 -4.310 8.658 -2.613 1.00 0.00 C ATOM 90 O CYS A 7 -4.338 9.724 -2.024 1.00 0.00 O ATOM 91 CB CYS A 7 -1.965 9.193 -3.276 1.00 0.00 C ATOM 92 SG CYS A 7 -1.258 9.507 -1.641 1.00 0.00 S ATOM 0 H CYS A 7 -2.963 6.932 -5.080 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.758 7.223 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.162 8.883 -3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.360 10.131 -3.666 1.00 0.00 H new ATOM 97 N THR A 8 -5.286 7.805 -2.743 1.00 0.00 N ATOM 98 CA THR A 8 -6.648 7.985 -2.154 1.00 0.00 C ATOM 99 C THR A 8 -6.701 8.992 -1.003 1.00 0.00 C ATOM 100 O THR A 8 -7.396 9.986 -1.048 1.00 0.00 O ATOM 101 CB THR A 8 -7.144 6.598 -1.676 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.148 6.098 -0.780 1.00 0.00 O ATOM 103 CG2 THR A 8 -7.159 5.619 -2.852 1.00 0.00 C ATOM 0 H THR A 8 -5.188 6.935 -3.267 1.00 0.00 H new ATOM 0 HA THR A 8 -7.294 8.400 -2.928 1.00 0.00 H new ATOM 0 HB THR A 8 -8.135 6.690 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.932 5.171 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.509 4.645 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.827 5.993 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.152 5.521 -3.257 1.00 0.00 H new ATOM 111 N SER A 9 -5.928 8.652 -0.007 1.00 0.00 N ATOM 112 CA SER A 9 -5.825 9.480 1.216 1.00 0.00 C ATOM 113 C SER A 9 -4.391 9.968 1.492 1.00 0.00 C ATOM 114 O SER A 9 -4.113 11.137 1.306 1.00 0.00 O ATOM 115 CB SER A 9 -6.418 8.599 2.374 1.00 0.00 C ATOM 116 OG SER A 9 -5.704 7.367 2.344 1.00 0.00 O ATOM 0 H SER A 9 -5.351 7.811 0.004 1.00 0.00 H new ATOM 0 HA SER A 9 -6.385 10.409 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.300 9.093 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.486 8.433 2.229 1.00 0.00 H new ATOM 0 HG SER A 9 -6.037 6.778 3.053 1.00 0.00 H new ATOM 122 N ILE A 10 -3.525 9.085 1.913 1.00 0.00 N ATOM 123 CA ILE A 10 -2.100 9.488 2.214 1.00 0.00 C ATOM 124 C ILE A 10 -1.009 8.515 1.688 1.00 0.00 C ATOM 125 O ILE A 10 0.157 8.780 1.901 1.00 0.00 O ATOM 126 CB ILE A 10 -1.990 9.674 3.794 1.00 0.00 C ATOM 127 CG1 ILE A 10 -3.137 10.624 4.281 1.00 0.00 C ATOM 128 CG2 ILE A 10 -0.625 10.309 4.220 1.00 0.00 C ATOM 129 CD1 ILE A 10 -3.136 10.824 5.807 1.00 0.00 C ATOM 0 H ILE A 10 -3.734 8.098 2.065 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.895 10.413 1.674 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.069 8.685 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.033 11.593 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.099 10.213 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.596 10.416 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.193 9.664 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.519 11.289 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.952 11.491 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.269 9.861 6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.187 11.262 6.116 1.00 0.00 H new ATOM 141 N CYS A 11 -1.392 7.450 1.016 1.00 0.00 N ATOM 142 CA CYS A 11 -0.415 6.429 0.460 1.00 0.00 C ATOM 143 C CYS A 11 1.006 6.422 1.118 1.00 0.00 C ATOM 144 O CYS A 11 1.952 6.961 0.569 1.00 0.00 O ATOM 145 CB CYS A 11 -0.284 6.682 -1.063 1.00 0.00 C ATOM 146 SG CYS A 11 0.356 8.290 -1.607 1.00 0.00 S ATOM 0 H CYS A 11 -2.369 7.233 0.820 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.827 5.447 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.363 5.908 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.269 6.546 -1.510 1.00 0.00 H new ATOM 151 N SER A 12 1.108 5.804 2.273 1.00 0.00 N ATOM 152 CA SER A 12 2.395 5.704 3.032 1.00 0.00 C ATOM 153 C SER A 12 3.080 4.353 2.772 1.00 0.00 C ATOM 154 O SER A 12 2.451 3.333 2.586 1.00 0.00 O ATOM 155 CB SER A 12 2.073 5.862 4.539 1.00 0.00 C ATOM 156 OG SER A 12 1.311 4.706 4.876 1.00 0.00 O ATOM 0 H SER A 12 0.321 5.349 2.736 1.00 0.00 H new ATOM 0 HA SER A 12 3.080 6.486 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.985 5.921 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.509 6.775 4.729 1.00 0.00 H new ATOM 0 HG SER A 12 1.071 4.738 5.826 1.00 0.00 H new ATOM 162 N LEU A 13 4.376 4.437 2.767 1.00 0.00 N ATOM 163 CA LEU A 13 5.280 3.265 2.538 1.00 0.00 C ATOM 164 C LEU A 13 4.940 1.957 3.253 1.00 0.00 C ATOM 165 O LEU A 13 5.135 0.904 2.679 1.00 0.00 O ATOM 166 CB LEU A 13 6.767 3.609 2.911 1.00 0.00 C ATOM 167 CG LEU A 13 7.113 5.131 2.893 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.742 5.774 4.256 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.628 5.325 2.653 1.00 0.00 C ATOM 0 H LEU A 13 4.876 5.313 2.920 1.00 0.00 H new ATOM 0 HA LEU A 13 5.131 3.084 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.977 3.215 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.429 3.092 2.217 1.00 0.00 H new ATOM 0 HG LEU A 13 6.547 5.606 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.986 6.836 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.674 5.651 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.304 5.287 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.861 6.390 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.188 4.839 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.904 4.883 1.696 1.00 0.00 H new ATOM 181 N TYR A 14 4.443 2.032 4.460 1.00 0.00 N ATOM 182 CA TYR A 14 4.110 0.765 5.194 1.00 0.00 C ATOM 183 C TYR A 14 2.792 0.250 4.624 1.00 0.00 C ATOM 184 O TYR A 14 2.564 -0.943 4.606 1.00 0.00 O ATOM 185 CB TYR A 14 3.955 1.028 6.712 1.00 0.00 C ATOM 186 CG TYR A 14 4.061 -0.307 7.476 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.295 -0.789 7.867 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.928 -1.042 7.789 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.396 -1.980 8.548 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.030 -2.234 8.473 1.00 0.00 C ATOM 191 CZ TYR A 14 4.271 -2.713 8.863 1.00 0.00 C ATOM 192 OH TYR A 14 4.412 -3.905 9.547 1.00 0.00 O ATOM 0 H TYR A 14 4.254 2.897 4.966 1.00 0.00 H new ATOM 0 HA TYR A 14 4.910 0.036 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.727 1.718 7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.994 1.500 6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.188 -0.226 7.636 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.955 -0.677 7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.369 -2.346 8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.139 -2.798 8.706 1.00 0.00 H new ATOM 0 HH TYR A 14 3.529 -4.303 9.696 1.00 0.00 H new ATOM 202 N GLN A 15 1.953 1.156 4.178 1.00 0.00 N ATOM 203 CA GLN A 15 0.646 0.736 3.595 1.00 0.00 C ATOM 204 C GLN A 15 1.022 -0.119 2.360 1.00 0.00 C ATOM 205 O GLN A 15 0.308 -1.039 2.012 1.00 0.00 O ATOM 206 CB GLN A 15 -0.159 2.007 3.184 1.00 0.00 C ATOM 207 CG GLN A 15 -1.626 1.692 2.858 1.00 0.00 C ATOM 208 CD GLN A 15 -2.254 2.973 2.285 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.374 3.986 2.945 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.659 2.961 1.045 1.00 0.00 N ATOM 0 H GLN A 15 2.119 2.162 4.194 1.00 0.00 H new ATOM 0 HA GLN A 15 0.022 0.173 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.118 2.737 3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.312 2.467 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.693 0.876 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.158 1.371 3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.561 2.114 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.073 3.798 0.636 1.00 0.00 H new ATOM 219 N LEU A 16 2.148 0.196 1.746 1.00 0.00 N ATOM 220 CA LEU A 16 2.580 -0.576 0.539 1.00 0.00 C ATOM 221 C LEU A 16 3.145 -1.921 1.031 1.00 0.00 C ATOM 222 O LEU A 16 2.972 -2.941 0.391 1.00 0.00 O ATOM 223 CB LEU A 16 3.629 0.328 -0.232 1.00 0.00 C ATOM 224 CG LEU A 16 3.868 -0.154 -1.685 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.585 0.030 -2.543 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.978 0.716 -2.312 1.00 0.00 C ATOM 0 H LEU A 16 2.776 0.948 2.030 1.00 0.00 H new ATOM 0 HA LEU A 16 1.774 -0.808 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.274 1.359 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.575 0.325 0.309 1.00 0.00 H new ATOM 0 HG LEU A 16 4.144 -1.208 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.775 -0.315 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.771 -0.550 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.309 1.084 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.160 0.391 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.665 1.760 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.894 0.612 -1.730 1.00 0.00 H new ATOM 238 N GLU A 17 3.786 -1.897 2.175 1.00 0.00 N ATOM 239 CA GLU A 17 4.367 -3.154 2.737 1.00 0.00 C ATOM 240 C GLU A 17 3.258 -4.018 3.350 1.00 0.00 C ATOM 241 O GLU A 17 3.490 -5.186 3.620 1.00 0.00 O ATOM 242 CB GLU A 17 5.375 -2.827 3.838 1.00 0.00 C ATOM 243 CG GLU A 17 6.549 -1.969 3.300 1.00 0.00 C ATOM 244 CD GLU A 17 7.481 -1.500 4.445 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.301 -1.928 5.577 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.351 -0.711 4.104 1.00 0.00 O ATOM 0 H GLU A 17 3.931 -1.062 2.742 1.00 0.00 H new ATOM 0 HA GLU A 17 4.860 -3.690 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.873 -2.293 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.764 -3.752 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.123 -2.548 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.154 -1.101 2.772 1.00 0.00 H new ATOM 253 N ASN A 18 2.082 -3.455 3.556 1.00 0.00 N ATOM 254 CA ASN A 18 1.016 -4.318 4.160 1.00 0.00 C ATOM 255 C ASN A 18 0.315 -5.130 3.064 1.00 0.00 C ATOM 256 O ASN A 18 -0.735 -5.705 3.280 1.00 0.00 O ATOM 257 CB ASN A 18 -0.018 -3.430 4.918 1.00 0.00 C ATOM 258 CG ASN A 18 -0.725 -4.303 5.964 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.097 -4.835 6.860 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.013 -4.480 5.893 1.00 0.00 N ATOM 0 H ASN A 18 1.826 -2.490 3.345 1.00 0.00 H new ATOM 0 HA ASN A 18 1.474 -5.008 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.483 -2.590 5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.743 -3.011 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.487 -5.061 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.548 -4.038 5.145 1.00 0.00 H new ATOM 267 N TYR A 19 0.942 -5.153 1.913 1.00 0.00 N ATOM 268 CA TYR A 19 0.403 -5.908 0.740 1.00 0.00 C ATOM 269 C TYR A 19 1.287 -7.155 0.537 1.00 0.00 C ATOM 270 O TYR A 19 1.071 -7.919 -0.387 1.00 0.00 O ATOM 271 CB TYR A 19 0.473 -5.016 -0.508 1.00 0.00 C ATOM 272 CG TYR A 19 -0.284 -3.680 -0.347 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.369 -3.525 0.504 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.117 -2.590 -1.094 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.017 -2.311 0.598 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.535 -1.380 -0.995 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.599 -1.230 -0.155 1.00 0.00 C ATOM 278 OH TYR A 19 -2.218 -0.001 -0.088 1.00 0.00 O ATOM 0 H TYR A 19 1.823 -4.670 1.735 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.633 -6.201 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.518 -4.808 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.060 -5.559 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.709 -4.361 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.956 -2.687 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.859 -2.204 1.266 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.200 -0.542 -1.588 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.550 0.708 -0.193 1.00 0.00 H new ATOM 288 N CYS A 20 2.249 -7.316 1.421 1.00 0.00 N ATOM 289 CA CYS A 20 3.188 -8.467 1.351 1.00 0.00 C ATOM 290 C CYS A 20 2.899 -9.427 2.522 1.00 0.00 C ATOM 291 O CYS A 20 3.071 -10.621 2.377 1.00 0.00 O ATOM 292 CB CYS A 20 4.602 -7.851 1.393 1.00 0.00 C ATOM 293 SG CYS A 20 4.768 -6.294 0.481 1.00 0.00 S ATOM 0 H CYS A 20 2.419 -6.680 2.200 1.00 0.00 H new ATOM 0 HA CYS A 20 3.082 -9.065 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.880 -7.680 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.312 -8.573 0.988 1.00 0.00 H new ATOM 298 N ASN A 21 2.467 -8.881 3.639 1.00 0.00 N ATOM 299 CA ASN A 21 2.154 -9.711 4.839 1.00 0.00 C ATOM 300 C ASN A 21 0.750 -9.356 5.343 1.00 0.00 C ATOM 301 O ASN A 21 0.440 -9.430 6.510 1.00 0.00 O ATOM 302 CB ASN A 21 3.215 -9.455 5.959 1.00 0.00 C ATOM 303 CG ASN A 21 3.300 -7.993 6.444 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.558 -7.065 5.913 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 4.064 -7.681 7.340 1.00 0.00 N flip ATOM 0 H ASN A 21 2.318 -7.880 3.766 1.00 0.00 H new ATOM 0 HA ASN A 21 2.184 -10.767 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.985 -10.094 6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.194 -9.758 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.657 -8.388 7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.111 -6.712 7.656 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 5.993 8.859 4.945 1.00 0.00 N ATOM 314 CA PHE B 1 5.016 9.974 4.873 1.00 0.00 C ATOM 315 C PHE B 1 5.284 10.877 3.650 1.00 0.00 C ATOM 316 O PHE B 1 6.081 11.792 3.716 1.00 0.00 O ATOM 317 CB PHE B 1 5.102 10.807 6.188 1.00 0.00 C ATOM 318 CG PHE B 1 4.239 12.076 6.068 1.00 0.00 C ATOM 319 CD1 PHE B 1 2.884 12.001 5.800 1.00 0.00 C ATOM 320 CD2 PHE B 1 4.828 13.319 6.214 1.00 0.00 C ATOM 321 CE1 PHE B 1 2.128 13.153 5.684 1.00 0.00 C ATOM 322 CE2 PHE B 1 4.074 14.470 6.099 1.00 0.00 C ATOM 323 CZ PHE B 1 2.721 14.389 5.830 1.00 0.00 C ATOM 0 H1 PHE B 1 5.492 7.972 5.155 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.487 8.771 4.034 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.685 9.052 5.697 1.00 0.00 H new ATOM 0 HA PHE B 1 4.015 9.559 4.760 1.00 0.00 H new ATOM 0 HB2 PHE B 1 4.763 10.206 7.031 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.138 11.080 6.388 1.00 0.00 H new ATOM 0 HD1 PHE B 1 2.413 11.036 5.681 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.886 13.390 6.420 1.00 0.00 H new ATOM 0 HE1 PHE B 1 1.070 13.084 5.478 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.543 15.436 6.220 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.131 15.289 5.735 1.00 0.00 H new ATOM 335 N VAL B 2 4.608 10.578 2.568 1.00 0.00 N ATOM 336 CA VAL B 2 4.767 11.380 1.311 1.00 0.00 C ATOM 337 C VAL B 2 3.400 11.977 0.921 1.00 0.00 C ATOM 338 O VAL B 2 2.366 11.483 1.333 1.00 0.00 O ATOM 339 CB VAL B 2 5.302 10.466 0.171 1.00 0.00 C ATOM 340 CG1 VAL B 2 6.718 9.969 0.554 1.00 0.00 C ATOM 341 CG2 VAL B 2 4.371 9.251 -0.064 1.00 0.00 C ATOM 0 H VAL B 2 3.946 9.805 2.500 1.00 0.00 H new ATOM 0 HA VAL B 2 5.480 12.188 1.473 1.00 0.00 H new ATOM 0 HB VAL B 2 5.336 11.044 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.105 9.327 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.381 10.824 0.684 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.666 9.406 1.486 1.00 0.00 H new ATOM 0 HG21 VAL B 2 4.774 8.634 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL B 2 4.306 8.661 0.850 1.00 0.00 H new ATOM 0 HG23 VAL B 2 3.377 9.602 -0.341 1.00 0.00 H new ATOM 351 N ASN B 3 3.448 13.027 0.137 1.00 0.00 N ATOM 352 CA ASN B 3 2.195 13.713 -0.324 1.00 0.00 C ATOM 353 C ASN B 3 2.374 14.048 -1.826 1.00 0.00 C ATOM 354 O ASN B 3 2.027 15.117 -2.292 1.00 0.00 O ATOM 355 CB ASN B 3 2.056 14.951 0.593 1.00 0.00 C ATOM 356 CG ASN B 3 0.695 15.668 0.509 1.00 0.00 C ATOM 357 OD1 ASN B 3 -0.241 15.261 -0.302 1.00 0.00 O flip ATOM 358 ND2 ASN B 3 0.472 16.637 1.207 1.00 0.00 N flip ATOM 0 H ASN B 3 4.312 13.445 -0.208 1.00 0.00 H new ATOM 0 HA ASN B 3 1.283 13.120 -0.250 1.00 0.00 H new ATOM 0 HB2 ASN B 3 2.225 14.642 1.625 1.00 0.00 H new ATOM 0 HB3 ASN B 3 2.842 15.663 0.340 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.186 16.977 1.851 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.430 17.110 1.149 1.00 0.00 H new ATOM 365 N GLN B 4 2.915 13.079 -2.526 1.00 0.00 N ATOM 366 CA GLN B 4 3.191 13.175 -4.001 1.00 0.00 C ATOM 367 C GLN B 4 2.115 12.339 -4.770 1.00 0.00 C ATOM 368 O GLN B 4 2.477 11.553 -5.616 1.00 0.00 O ATOM 369 CB GLN B 4 4.662 12.645 -4.185 1.00 0.00 C ATOM 370 CG GLN B 4 5.124 12.435 -5.660 1.00 0.00 C ATOM 371 CD GLN B 4 6.591 11.974 -5.665 1.00 0.00 C ATOM 372 OE1 GLN B 4 6.957 11.031 -4.985 1.00 0.00 O ATOM 373 NE2 GLN B 4 7.462 12.590 -6.414 1.00 0.00 N ATOM 0 H GLN B 4 3.189 12.185 -2.118 1.00 0.00 H new ATOM 0 HA GLN B 4 3.123 14.186 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.344 13.347 -3.706 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.756 11.697 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.494 11.692 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.019 13.362 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.172 13.381 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.434 12.281 -6.425 1.00 0.00 H new ATOM 382 N HIS B 5 0.839 12.526 -4.470 1.00 0.00 N ATOM 383 CA HIS B 5 -0.320 11.812 -5.099 1.00 0.00 C ATOM 384 C HIS B 5 -0.007 11.104 -6.401 1.00 0.00 C ATOM 385 O HIS B 5 -0.276 11.539 -7.503 1.00 0.00 O ATOM 386 CB HIS B 5 -1.480 12.824 -5.351 1.00 0.00 C ATOM 387 CG HIS B 5 -2.079 13.335 -4.029 1.00 0.00 C ATOM 388 ND1 HIS B 5 -1.554 13.470 -2.751 1.00 0.00 N flip ATOM 389 CD2 HIS B 5 -3.291 13.764 -3.917 1.00 0.00 C flip ATOM 390 CE1 HIS B 5 -2.459 13.965 -1.934 1.00 0.00 C flip ATOM 391 NE2 HIS B 5 -3.513 14.134 -2.693 1.00 0.00 N flip ATOM 0 H HIS B 5 0.545 13.197 -3.760 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.599 11.035 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -1.109 13.667 -5.933 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.259 12.346 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -4.012 13.808 -4.720 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -2.356 14.182 -0.881 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -4.401 14.511 -2.362 1.00 0.00 H new ATOM 399 N LEU B 6 0.582 9.978 -6.126 1.00 0.00 N ATOM 400 CA LEU B 6 1.026 9.028 -7.200 1.00 0.00 C ATOM 401 C LEU B 6 -0.229 8.316 -7.719 1.00 0.00 C ATOM 402 O LEU B 6 -1.120 8.045 -6.935 1.00 0.00 O ATOM 403 CB LEU B 6 1.993 7.945 -6.627 1.00 0.00 C ATOM 404 CG LEU B 6 3.200 8.550 -5.870 1.00 0.00 C ATOM 405 CD1 LEU B 6 2.879 8.651 -4.357 1.00 0.00 C ATOM 406 CD2 LEU B 6 4.433 7.634 -6.033 1.00 0.00 C ATOM 0 H LEU B 6 0.783 9.661 -5.178 1.00 0.00 H new ATOM 0 HA LEU B 6 1.546 9.580 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.439 7.292 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.359 7.323 -7.444 1.00 0.00 H new ATOM 0 HG LEU B 6 3.403 9.539 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.733 9.078 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.008 9.290 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.670 7.657 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.279 8.065 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.210 6.648 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.681 7.542 -7.090 1.00 0.00 H new ATOM 418 N CYS B 7 -0.271 8.022 -8.999 1.00 0.00 N ATOM 419 CA CYS B 7 -1.471 7.331 -9.564 1.00 0.00 C ATOM 420 C CYS B 7 -1.221 5.889 -10.017 1.00 0.00 C ATOM 421 O CYS B 7 -0.200 5.545 -10.581 1.00 0.00 O ATOM 422 CB CYS B 7 -1.994 8.200 -10.733 1.00 0.00 C ATOM 423 SG CYS B 7 -2.828 9.724 -10.222 1.00 0.00 S ATOM 0 H CYS B 7 0.469 8.230 -9.670 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.211 7.234 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.156 8.459 -11.380 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.685 7.605 -11.330 1.00 0.00 H new ATOM 428 N GLY B 8 -2.231 5.109 -9.714 1.00 0.00 N ATOM 429 CA GLY B 8 -2.329 3.639 -9.993 1.00 0.00 C ATOM 430 C GLY B 8 -1.166 2.903 -10.706 1.00 0.00 C ATOM 431 O GLY B 8 -0.613 2.002 -10.109 1.00 0.00 O ATOM 0 H GLY B 8 -3.061 5.469 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.491 3.139 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.226 3.482 -10.592 1.00 0.00 H new ATOM 435 N SER B 9 -0.799 3.263 -11.915 1.00 0.00 N ATOM 436 CA SER B 9 0.321 2.557 -12.625 1.00 0.00 C ATOM 437 C SER B 9 1.658 2.397 -11.878 1.00 0.00 C ATOM 438 O SER B 9 2.376 1.439 -12.086 1.00 0.00 O ATOM 439 CB SER B 9 0.575 3.295 -13.956 1.00 0.00 C ATOM 440 OG SER B 9 -0.620 3.061 -14.689 1.00 0.00 O ATOM 0 H SER B 9 -1.230 4.021 -12.445 1.00 0.00 H new ATOM 0 HA SER B 9 -0.028 1.531 -12.741 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.750 4.359 -13.799 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.449 2.901 -14.474 1.00 0.00 H new ATOM 0 HG SER B 9 -0.558 3.498 -15.564 1.00 0.00 H new ATOM 446 N HIS B 10 1.946 3.328 -11.015 1.00 0.00 N ATOM 447 CA HIS B 10 3.213 3.307 -10.229 1.00 0.00 C ATOM 448 C HIS B 10 2.946 2.680 -8.875 1.00 0.00 C ATOM 449 O HIS B 10 3.862 2.171 -8.261 1.00 0.00 O ATOM 450 CB HIS B 10 3.708 4.758 -10.133 1.00 0.00 C ATOM 451 CG HIS B 10 3.788 5.243 -11.594 1.00 0.00 C ATOM 452 ND1 HIS B 10 2.744 5.488 -12.323 1.00 0.00 N ATOM 453 CD2 HIS B 10 4.860 5.509 -12.438 1.00 0.00 C ATOM 454 CE1 HIS B 10 3.105 5.862 -13.508 1.00 0.00 C ATOM 455 NE2 HIS B 10 4.413 5.887 -13.624 1.00 0.00 N ATOM 0 H HIS B 10 1.341 4.124 -10.815 1.00 0.00 H new ATOM 0 HA HIS B 10 3.989 2.706 -10.702 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.022 5.372 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.681 4.813 -9.644 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.901 5.420 -12.166 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.418 6.121 -14.300 1.00 0.00 H new ATOM 0 HE2 HIS B 10 4.962 6.141 -14.445 1.00 0.00 H new ATOM 463 N LEU B 11 1.707 2.714 -8.445 1.00 0.00 N ATOM 464 CA LEU B 11 1.381 2.095 -7.124 1.00 0.00 C ATOM 465 C LEU B 11 1.327 0.597 -7.440 1.00 0.00 C ATOM 466 O LEU B 11 1.557 -0.214 -6.567 1.00 0.00 O ATOM 467 CB LEU B 11 -0.008 2.533 -6.580 1.00 0.00 C ATOM 468 CG LEU B 11 -0.056 4.018 -6.117 1.00 0.00 C ATOM 469 CD1 LEU B 11 0.940 4.306 -4.965 1.00 0.00 C ATOM 470 CD2 LEU B 11 0.223 4.950 -7.283 1.00 0.00 C ATOM 0 H LEU B 11 0.922 3.135 -8.941 1.00 0.00 H new ATOM 0 HA LEU B 11 2.109 2.384 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.758 2.379 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.280 1.891 -5.742 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.062 4.200 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.869 5.355 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.697 3.677 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.955 4.089 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.185 5.984 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.212 4.739 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.528 4.798 -8.058 1.00 0.00 H new ATOM 482 N VAL B 12 1.038 0.265 -8.679 1.00 0.00 N ATOM 483 CA VAL B 12 0.969 -1.163 -9.067 1.00 0.00 C ATOM 484 C VAL B 12 2.387 -1.642 -9.346 1.00 0.00 C ATOM 485 O VAL B 12 2.730 -2.689 -8.833 1.00 0.00 O ATOM 486 CB VAL B 12 0.028 -1.309 -10.322 1.00 0.00 C ATOM 487 CG1 VAL B 12 0.715 -1.613 -11.685 1.00 0.00 C ATOM 488 CG2 VAL B 12 -0.957 -2.455 -10.033 1.00 0.00 C ATOM 0 H VAL B 12 0.849 0.929 -9.430 1.00 0.00 H new ATOM 0 HA VAL B 12 0.548 -1.779 -8.273 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.433 -0.329 -10.448 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.042 -1.689 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.409 -0.809 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.260 -2.554 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.625 -2.584 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.402 -3.378 -9.865 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.542 -2.216 -9.145 1.00 0.00 H new ATOM 498 N GLU B 13 3.177 -0.901 -10.103 1.00 0.00 N ATOM 499 CA GLU B 13 4.573 -1.399 -10.364 1.00 0.00 C ATOM 500 C GLU B 13 5.285 -1.552 -8.983 1.00 0.00 C ATOM 501 O GLU B 13 6.046 -2.475 -8.731 1.00 0.00 O ATOM 502 CB GLU B 13 5.375 -0.387 -11.279 1.00 0.00 C ATOM 503 CG GLU B 13 6.427 -1.162 -12.152 1.00 0.00 C ATOM 504 CD GLU B 13 7.332 -2.065 -11.292 1.00 0.00 C ATOM 505 OE1 GLU B 13 8.147 -1.501 -10.578 1.00 0.00 O ATOM 506 OE2 GLU B 13 7.149 -3.269 -11.393 1.00 0.00 O ATOM 0 H GLU B 13 2.929 -0.011 -10.534 1.00 0.00 H new ATOM 0 HA GLU B 13 4.534 -2.353 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU B 13 4.685 0.156 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.881 0.353 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.907 -1.769 -12.893 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.042 -0.447 -12.699 1.00 0.00 H new ATOM 513 N ALA B 14 4.965 -0.625 -8.106 1.00 0.00 N ATOM 514 CA ALA B 14 5.572 -0.619 -6.753 1.00 0.00 C ATOM 515 C ALA B 14 5.064 -1.747 -5.870 1.00 0.00 C ATOM 516 O ALA B 14 5.881 -2.448 -5.326 1.00 0.00 O ATOM 517 CB ALA B 14 5.284 0.747 -6.138 1.00 0.00 C ATOM 0 H ALA B 14 4.302 0.130 -8.281 1.00 0.00 H new ATOM 0 HA ALA B 14 6.645 -0.791 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.715 0.794 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.725 1.526 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.206 0.898 -6.076 1.00 0.00 H new ATOM 523 N LEU B 15 3.777 -1.927 -5.732 1.00 0.00 N ATOM 524 CA LEU B 15 3.305 -3.048 -4.848 1.00 0.00 C ATOM 525 C LEU B 15 3.748 -4.408 -5.397 1.00 0.00 C ATOM 526 O LEU B 15 4.177 -5.259 -4.634 1.00 0.00 O ATOM 527 CB LEU B 15 1.714 -2.892 -4.701 1.00 0.00 C ATOM 528 CG LEU B 15 0.889 -4.101 -4.141 1.00 0.00 C ATOM 529 CD1 LEU B 15 -0.599 -3.645 -4.041 1.00 0.00 C ATOM 530 CD2 LEU B 15 0.860 -5.325 -5.082 1.00 0.00 C ATOM 0 H LEU B 15 3.047 -1.369 -6.175 1.00 0.00 H new ATOM 0 HA LEU B 15 3.755 -2.996 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.524 -2.035 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.314 -2.645 -5.684 1.00 0.00 H new ATOM 0 HG LEU B 15 1.356 -4.384 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.205 -4.464 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.673 -2.789 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.960 -3.363 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.270 -6.120 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.412 -5.041 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.877 -5.678 -5.251 1.00 0.00 H new ATOM 542 N TYR B 16 3.650 -4.551 -6.695 1.00 0.00 N ATOM 543 CA TYR B 16 4.033 -5.820 -7.377 1.00 0.00 C ATOM 544 C TYR B 16 5.442 -6.246 -6.912 1.00 0.00 C ATOM 545 O TYR B 16 5.665 -7.418 -6.675 1.00 0.00 O ATOM 546 CB TYR B 16 4.086 -5.649 -8.932 1.00 0.00 C ATOM 547 CG TYR B 16 2.886 -6.150 -9.758 1.00 0.00 C ATOM 548 CD1 TYR B 16 2.399 -7.439 -9.664 1.00 0.00 C ATOM 549 CD2 TYR B 16 2.283 -5.274 -10.640 1.00 0.00 C ATOM 550 CE1 TYR B 16 1.335 -7.846 -10.448 1.00 0.00 C ATOM 551 CE2 TYR B 16 1.224 -5.676 -11.424 1.00 0.00 C ATOM 552 CZ TYR B 16 0.736 -6.966 -11.332 1.00 0.00 C ATOM 553 OH TYR B 16 -0.329 -7.362 -12.117 1.00 0.00 O ATOM 0 H TYR B 16 3.312 -3.822 -7.323 1.00 0.00 H new ATOM 0 HA TYR B 16 3.281 -6.566 -7.121 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.219 -4.589 -9.147 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.977 -6.162 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.852 -8.134 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.647 -4.260 -10.716 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.969 -8.859 -10.370 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.772 -4.979 -12.115 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.621 -6.611 -12.675 1.00 0.00 H new ATOM 563 N LEU B 17 6.340 -5.283 -6.787 1.00 0.00 N ATOM 564 CA LEU B 17 7.739 -5.648 -6.352 1.00 0.00 C ATOM 565 C LEU B 17 8.017 -5.493 -4.845 1.00 0.00 C ATOM 566 O LEU B 17 8.653 -6.363 -4.282 1.00 0.00 O ATOM 567 CB LEU B 17 8.773 -4.782 -7.192 1.00 0.00 C ATOM 568 CG LEU B 17 10.290 -4.848 -6.717 1.00 0.00 C ATOM 569 CD1 LEU B 17 10.577 -3.969 -5.455 1.00 0.00 C ATOM 570 CD2 LEU B 17 10.777 -6.311 -6.500 1.00 0.00 C ATOM 0 H LEU B 17 6.173 -4.292 -6.961 1.00 0.00 H new ATOM 0 HA LEU B 17 7.854 -6.714 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.725 -5.104 -8.232 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.450 -3.741 -7.165 1.00 0.00 H new ATOM 0 HG LEU B 17 10.869 -4.422 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU B 17 11.628 -4.057 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU B 17 10.346 -2.927 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.957 -4.309 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.818 -6.304 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.163 -6.789 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.691 -6.865 -7.435 1.00 0.00 H new ATOM 582 N VAL B 18 7.564 -4.430 -4.213 1.00 0.00 N ATOM 583 CA VAL B 18 7.815 -4.223 -2.751 1.00 0.00 C ATOM 584 C VAL B 18 7.521 -5.497 -1.973 1.00 0.00 C ATOM 585 O VAL B 18 8.088 -5.738 -0.927 1.00 0.00 O ATOM 586 CB VAL B 18 6.933 -3.031 -2.255 1.00 0.00 C ATOM 587 CG1 VAL B 18 6.915 -2.952 -0.704 1.00 0.00 C ATOM 588 CG2 VAL B 18 7.566 -1.726 -2.775 1.00 0.00 C ATOM 0 H VAL B 18 7.023 -3.688 -4.658 1.00 0.00 H new ATOM 0 HA VAL B 18 8.865 -3.981 -2.584 1.00 0.00 H new ATOM 0 HB VAL B 18 5.915 -3.174 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.294 -2.113 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.508 -3.878 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.931 -2.809 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.970 -0.875 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.580 -1.633 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.596 -1.745 -3.864 1.00 0.00 H new ATOM 598 N CYS B 19 6.629 -6.268 -2.531 1.00 0.00 N ATOM 599 CA CYS B 19 6.256 -7.536 -1.874 1.00 0.00 C ATOM 600 C CYS B 19 7.068 -8.764 -2.288 1.00 0.00 C ATOM 601 O CYS B 19 7.312 -9.611 -1.447 1.00 0.00 O ATOM 602 CB CYS B 19 4.778 -7.718 -2.146 1.00 0.00 C ATOM 603 SG CYS B 19 3.720 -6.579 -1.224 1.00 0.00 S ATOM 0 H CYS B 19 6.149 -6.070 -3.409 1.00 0.00 H new ATOM 0 HA CYS B 19 6.485 -7.460 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS B 19 4.596 -7.586 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS B 19 4.496 -8.741 -1.899 1.00 0.00 H new ATOM 608 N GLY B 20 7.468 -8.867 -3.528 1.00 0.00 N ATOM 609 CA GLY B 20 8.259 -10.057 -3.945 1.00 0.00 C ATOM 610 C GLY B 20 7.303 -11.214 -4.307 1.00 0.00 C ATOM 611 O GLY B 20 7.476 -11.806 -5.357 1.00 0.00 O ATOM 0 H GLY B 20 7.282 -8.184 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.885 -9.808 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.927 -10.362 -3.140 1.00 0.00 H new ATOM 615 N GLU B 21 6.338 -11.511 -3.453 1.00 0.00 N ATOM 616 CA GLU B 21 5.366 -12.625 -3.738 1.00 0.00 C ATOM 617 C GLU B 21 3.934 -12.248 -3.283 1.00 0.00 C ATOM 618 O GLU B 21 3.118 -13.099 -2.970 1.00 0.00 O ATOM 619 CB GLU B 21 5.918 -13.899 -2.995 1.00 0.00 C ATOM 620 CG GLU B 21 5.574 -13.908 -1.474 1.00 0.00 C ATOM 621 CD GLU B 21 6.004 -12.596 -0.780 1.00 0.00 C ATOM 622 OE1 GLU B 21 7.200 -12.453 -0.565 1.00 0.00 O ATOM 623 OE2 GLU B 21 5.111 -11.806 -0.514 1.00 0.00 O ATOM 0 H GLU B 21 6.184 -11.026 -2.569 1.00 0.00 H new ATOM 0 HA GLU B 21 5.286 -12.820 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.505 -14.793 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU B 21 7.000 -13.946 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.501 -14.053 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.070 -14.752 -0.994 1.00 0.00 H new ATOM 630 N ARG B 22 3.723 -10.961 -3.281 1.00 0.00 N ATOM 631 CA ARG B 22 2.437 -10.259 -2.892 1.00 0.00 C ATOM 632 C ARG B 22 1.104 -11.059 -2.946 1.00 0.00 C ATOM 633 O ARG B 22 0.949 -11.981 -3.723 1.00 0.00 O ATOM 634 CB ARG B 22 2.345 -8.987 -3.785 1.00 0.00 C ATOM 635 CG ARG B 22 1.634 -9.242 -5.121 1.00 0.00 C ATOM 636 CD ARG B 22 2.495 -10.193 -5.986 1.00 0.00 C ATOM 637 NE ARG B 22 1.823 -10.336 -7.308 1.00 0.00 N ATOM 638 CZ ARG B 22 1.680 -11.512 -7.850 1.00 0.00 C ATOM 639 NH1 ARG B 22 1.034 -12.453 -7.219 1.00 0.00 N ATOM 640 NH2 ARG B 22 2.194 -11.697 -9.031 1.00 0.00 N ATOM 0 H ARG B 22 4.451 -10.302 -3.557 1.00 0.00 H new ATOM 0 HA ARG B 22 2.521 -10.061 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.815 -8.205 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG B 22 3.350 -8.613 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.652 -9.681 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.473 -8.300 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.501 -9.792 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.596 -11.164 -5.501 1.00 0.00 H new ATOM 0 HE ARG B 22 1.473 -9.509 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.638 -12.270 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.925 -13.372 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.687 -10.936 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.104 -12.603 -9.490 1.00 0.00 H new ATOM 654 N GLY B 23 0.173 -10.644 -2.121 1.00 0.00 N ATOM 655 CA GLY B 23 -1.173 -11.302 -2.051 1.00 0.00 C ATOM 656 C GLY B 23 -2.318 -10.348 -2.500 1.00 0.00 C ATOM 657 O GLY B 23 -3.219 -10.130 -1.711 1.00 0.00 O ATOM 0 H GLY B 23 0.291 -9.860 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.174 -12.191 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.360 -11.636 -1.030 1.00 0.00 H new ATOM 661 N PHE B 24 -2.296 -9.797 -3.703 1.00 0.00 N ATOM 662 CA PHE B 24 -3.389 -8.887 -4.147 1.00 0.00 C ATOM 663 C PHE B 24 -3.934 -9.504 -5.487 1.00 0.00 C ATOM 664 O PHE B 24 -3.419 -10.525 -5.908 1.00 0.00 O ATOM 665 CB PHE B 24 -2.753 -7.452 -4.337 1.00 0.00 C ATOM 666 CG PHE B 24 -2.109 -7.163 -5.717 1.00 0.00 C ATOM 667 CD1 PHE B 24 -1.304 -8.072 -6.378 1.00 0.00 C ATOM 668 CD2 PHE B 24 -2.338 -5.924 -6.295 1.00 0.00 C ATOM 669 CE1 PHE B 24 -0.739 -7.741 -7.592 1.00 0.00 C ATOM 670 CE2 PHE B 24 -1.773 -5.595 -7.507 1.00 0.00 C ATOM 671 CZ PHE B 24 -0.970 -6.507 -8.157 1.00 0.00 C ATOM 0 H PHE B 24 -1.558 -9.947 -4.391 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.214 -8.787 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.529 -6.708 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.993 -7.310 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.117 -9.043 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.968 -5.208 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.111 -8.455 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.958 -4.626 -7.946 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.523 -6.254 -9.107 1.00 0.00 H new ATOM 681 N PHE B 25 -4.928 -8.927 -6.128 1.00 0.00 N ATOM 682 CA PHE B 25 -5.469 -9.481 -7.410 1.00 0.00 C ATOM 683 C PHE B 25 -5.526 -8.271 -8.347 1.00 0.00 C ATOM 684 O PHE B 25 -6.091 -7.261 -7.972 1.00 0.00 O ATOM 685 CB PHE B 25 -6.924 -10.016 -7.294 1.00 0.00 C ATOM 686 CG PHE B 25 -7.217 -10.991 -6.135 1.00 0.00 C ATOM 687 CD1 PHE B 25 -6.827 -12.315 -6.186 1.00 0.00 C ATOM 688 CD2 PHE B 25 -7.907 -10.542 -5.023 1.00 0.00 C ATOM 689 CE1 PHE B 25 -7.121 -13.175 -5.141 1.00 0.00 C ATOM 690 CE2 PHE B 25 -8.204 -11.397 -3.976 1.00 0.00 C ATOM 691 CZ PHE B 25 -7.813 -12.717 -4.039 1.00 0.00 C ATOM 0 H PHE B 25 -5.394 -8.078 -5.807 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.845 -10.313 -7.735 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.593 -9.161 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.178 -10.514 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.289 -12.682 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.218 -9.509 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.808 -14.207 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.740 -11.031 -3.113 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.048 -13.391 -3.228 1.00 0.00 H new ATOM 701 N TYR B 26 -4.963 -8.372 -9.527 1.00 0.00 N ATOM 702 CA TYR B 26 -5.013 -7.198 -10.447 1.00 0.00 C ATOM 703 C TYR B 26 -5.146 -7.647 -11.896 1.00 0.00 C ATOM 704 O TYR B 26 -4.346 -7.362 -12.766 1.00 0.00 O ATOM 705 CB TYR B 26 -3.745 -6.347 -10.277 1.00 0.00 C ATOM 706 CG TYR B 26 -4.156 -4.917 -10.696 1.00 0.00 C ATOM 707 CD1 TYR B 26 -5.013 -4.199 -9.875 1.00 0.00 C ATOM 708 CD2 TYR B 26 -3.718 -4.334 -11.871 1.00 0.00 C ATOM 709 CE1 TYR B 26 -5.425 -2.931 -10.217 1.00 0.00 C ATOM 710 CE2 TYR B 26 -4.136 -3.058 -12.211 1.00 0.00 C ATOM 711 CZ TYR B 26 -4.992 -2.350 -11.385 1.00 0.00 C ATOM 712 OH TYR B 26 -5.416 -1.073 -11.712 1.00 0.00 O ATOM 0 H TYR B 26 -4.482 -9.197 -9.885 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.888 -6.600 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.392 -6.369 -9.246 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.933 -6.722 -10.900 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.362 -4.641 -8.954 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.049 -4.874 -12.524 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.093 -2.389 -9.564 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.790 -2.610 -13.131 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.020 -0.806 -12.568 1.00 0.00 H new ATOM 722 N THR B 27 -6.215 -8.362 -12.069 1.00 0.00 N ATOM 723 CA THR B 27 -6.601 -8.931 -13.391 1.00 0.00 C ATOM 724 C THR B 27 -7.995 -8.356 -13.827 1.00 0.00 C ATOM 725 O THR B 27 -8.920 -9.140 -13.919 1.00 0.00 O ATOM 726 CB THR B 27 -6.611 -10.473 -13.222 1.00 0.00 C ATOM 727 OG1 THR B 27 -7.419 -10.720 -12.079 1.00 0.00 O ATOM 728 CG2 THR B 27 -5.203 -10.991 -12.810 1.00 0.00 C ATOM 0 H THR B 27 -6.867 -8.586 -11.317 1.00 0.00 H new ATOM 0 HA THR B 27 -5.901 -8.660 -14.182 1.00 0.00 H new ATOM 0 HB THR B 27 -6.942 -10.943 -14.148 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.326 -10.387 -12.241 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.233 -12.075 -12.697 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.478 -10.726 -13.580 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.910 -10.535 -11.864 1.00 0.00 H new ATOM 736 N PRO B 28 -8.136 -7.055 -14.073 1.00 0.00 N ATOM 737 CA PRO B 28 -9.463 -6.391 -14.342 1.00 0.00 C ATOM 738 C PRO B 28 -10.516 -7.210 -15.128 1.00 0.00 C ATOM 739 O PRO B 28 -10.152 -8.031 -15.944 1.00 0.00 O ATOM 740 CB PRO B 28 -9.067 -5.110 -15.041 1.00 0.00 C ATOM 741 CG PRO B 28 -7.830 -4.709 -14.200 1.00 0.00 C ATOM 742 CD PRO B 28 -7.048 -6.015 -14.141 1.00 0.00 C ATOM 0 HA PRO B 28 -10.007 -6.247 -13.409 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.822 -5.268 -16.091 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -9.855 -4.357 -15.007 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.257 -3.912 -14.673 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.109 -4.356 -13.207 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -6.416 -6.148 -15.019 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.395 -6.056 -13.269 1.00 0.00 H new ATOM 750 N LYS B 29 -11.783 -6.950 -14.879 1.00 0.00 N ATOM 751 CA LYS B 29 -12.886 -7.695 -15.585 1.00 0.00 C ATOM 752 C LYS B 29 -13.822 -6.850 -16.477 1.00 0.00 C ATOM 753 O LYS B 29 -15.019 -6.801 -16.253 1.00 0.00 O ATOM 754 CB LYS B 29 -13.759 -8.430 -14.534 1.00 0.00 C ATOM 755 CG LYS B 29 -13.001 -9.480 -13.715 1.00 0.00 C ATOM 756 CD LYS B 29 -12.378 -10.549 -14.631 1.00 0.00 C ATOM 757 CE LYS B 29 -11.761 -11.630 -13.747 1.00 0.00 C ATOM 758 NZ LYS B 29 -11.038 -12.621 -14.585 1.00 0.00 N ATOM 0 H LYS B 29 -12.104 -6.248 -14.212 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.366 -8.372 -16.263 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.187 -7.694 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.592 -8.914 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.219 -8.996 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.680 -9.954 -13.007 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.137 -10.979 -15.285 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.619 -10.104 -15.274 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.075 -11.178 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.540 -12.129 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.621 -13.353 -13.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.703 -13.063 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.283 -12.142 -15.116 1.00 0.00 H new ATOM 772 N THR B 30 -13.264 -6.215 -17.465 1.00 0.00 N ATOM 773 CA THR B 30 -14.073 -5.373 -18.402 1.00 0.00 C ATOM 774 C THR B 30 -14.059 -6.049 -19.777 1.00 0.00 C ATOM 775 O THR B 30 -14.400 -7.205 -19.928 1.00 0.00 O ATOM 776 CB THR B 30 -13.451 -3.964 -18.477 1.00 0.00 C ATOM 777 OG1 THR B 30 -13.982 -3.303 -17.339 1.00 0.00 O ATOM 778 CG2 THR B 30 -13.975 -3.162 -19.691 1.00 0.00 C ATOM 0 H THR B 30 -12.265 -6.240 -17.671 1.00 0.00 H new ATOM 0 HA THR B 30 -15.102 -5.276 -18.056 1.00 0.00 H new ATOM 0 HB THR B 30 -12.365 -4.033 -18.541 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.636 -2.387 -17.302 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.510 -2.176 -19.704 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.728 -3.692 -20.611 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.057 -3.052 -19.615 1.00 0.00 H new TER 786 THR B 30