USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 15 GLN :FLIP amide:sc= -0.352 F(o=-1.2,f=-0.35) USER MOD Set 1.2: A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.162 (180deg=-0.183) USER MOD Single : A 5 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.13) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.295 USER MOD Single : A 9 SER OG : rot 180:sc= -2.72! 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= -0.201 X(o=-0.2,f=-0.0069) USER MOD Single : A 21 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : B 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.2!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 5 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.65) USER MOD Single : B 9 SER OG : rot -110:sc= -2.47! USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00306) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.729 0.140 11.934 1.00 0.00 N ATOM 2 CA GLY A 1 -0.071 1.377 11.704 1.00 0.00 C ATOM 3 C GLY A 1 -0.542 1.417 10.249 1.00 0.00 C ATOM 4 O GLY A 1 -1.076 2.406 9.788 1.00 0.00 O ATOM 0 H1 GLY A 1 1.092 0.137 12.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.127 -0.695 11.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.527 0.114 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.929 1.398 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.530 2.258 11.927 1.00 0.00 H new ATOM 10 N ILE A 2 -0.347 0.351 9.523 1.00 0.00 N ATOM 11 CA ILE A 2 -0.784 0.331 8.097 1.00 0.00 C ATOM 12 C ILE A 2 -1.721 -0.857 7.865 1.00 0.00 C ATOM 13 O ILE A 2 -2.689 -0.763 7.137 1.00 0.00 O ATOM 14 CB ILE A 2 0.442 0.196 7.192 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.012 0.116 5.734 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.212 -1.075 7.555 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.213 -0.025 4.828 1.00 0.00 C ATOM 0 H ILE A 2 0.095 -0.506 9.854 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.309 1.258 7.865 1.00 0.00 H new ATOM 0 HB ILE A 2 1.090 1.062 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.680 -0.734 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.575 1.011 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.085 -1.169 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.534 -1.021 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.566 -1.943 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.892 -0.082 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.864 0.839 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.757 -0.932 5.090 1.00 0.00 H new ATOM 29 N VAL A 3 -1.441 -1.975 8.479 1.00 0.00 N ATOM 30 CA VAL A 3 -2.316 -3.166 8.292 1.00 0.00 C ATOM 31 C VAL A 3 -3.492 -3.097 9.269 1.00 0.00 C ATOM 32 O VAL A 3 -4.429 -3.863 9.180 1.00 0.00 O ATOM 33 CB VAL A 3 -1.510 -4.439 8.555 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.124 -5.605 7.778 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.065 -4.231 8.100 1.00 0.00 C ATOM 0 H VAL A 3 -0.645 -2.114 9.101 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.694 -3.179 7.270 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.528 -4.664 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.548 -6.511 7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.154 -5.755 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.108 -5.380 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.510 -5.138 8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.048 -4.005 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.375 -3.402 8.654 1.00 0.00 H new ATOM 45 N GLU A 4 -3.448 -2.185 10.201 1.00 0.00 N ATOM 46 CA GLU A 4 -4.563 -2.072 11.183 1.00 0.00 C ATOM 47 C GLU A 4 -5.678 -1.204 10.596 1.00 0.00 C ATOM 48 O GLU A 4 -6.808 -1.245 11.043 1.00 0.00 O ATOM 49 CB GLU A 4 -4.044 -1.432 12.473 1.00 0.00 C ATOM 50 CG GLU A 4 -5.134 -1.489 13.545 1.00 0.00 C ATOM 51 CD GLU A 4 -4.601 -2.221 14.778 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.393 -2.320 14.906 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.411 -2.668 15.573 1.00 0.00 O ATOM 0 H GLU A 4 -2.690 -1.514 10.325 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.955 -3.065 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.152 -1.955 12.818 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.755 -0.397 12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.446 -0.480 13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.014 -2.002 13.157 1.00 0.00 H new ATOM 60 N GLN A 5 -5.374 -0.419 9.598 1.00 0.00 N ATOM 61 CA GLN A 5 -6.421 0.447 8.987 1.00 0.00 C ATOM 62 C GLN A 5 -6.655 0.018 7.537 1.00 0.00 C ATOM 63 O GLN A 5 -7.627 0.399 6.915 1.00 0.00 O ATOM 64 CB GLN A 5 -5.964 1.907 9.024 1.00 0.00 C ATOM 65 CG GLN A 5 -6.284 2.506 10.395 1.00 0.00 C ATOM 66 CD GLN A 5 -5.096 2.292 11.335 1.00 0.00 C ATOM 67 OE1 GLN A 5 -5.257 1.788 12.431 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.903 2.655 10.953 1.00 0.00 N ATOM 0 H GLN A 5 -4.447 -0.340 9.180 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.350 0.346 9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.893 1.969 8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.465 2.476 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.497 3.570 10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.177 2.038 10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.768 3.077 10.034 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.105 2.516 11.573 1.00 0.00 H new ATOM 77 N CYS A 6 -5.770 -0.771 6.994 1.00 0.00 N ATOM 78 CA CYS A 6 -5.943 -1.225 5.585 1.00 0.00 C ATOM 79 C CYS A 6 -6.330 -2.706 5.566 1.00 0.00 C ATOM 80 O CYS A 6 -6.481 -3.304 4.519 1.00 0.00 O ATOM 81 CB CYS A 6 -4.632 -1.033 4.822 1.00 0.00 C ATOM 82 SG CYS A 6 -4.995 -0.631 3.095 1.00 0.00 S ATOM 0 H CYS A 6 -4.935 -1.121 7.464 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.730 -0.638 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.047 -0.234 5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.030 -1.940 4.877 1.00 0.00 H new ATOM 87 N CYS A 7 -6.492 -3.302 6.714 1.00 0.00 N ATOM 88 CA CYS A 7 -6.868 -4.741 6.762 1.00 0.00 C ATOM 89 C CYS A 7 -8.383 -4.864 6.944 1.00 0.00 C ATOM 90 O CYS A 7 -9.020 -5.728 6.374 1.00 0.00 O ATOM 91 CB CYS A 7 -6.148 -5.412 7.933 1.00 0.00 C ATOM 92 SG CYS A 7 -6.833 -7.063 8.208 1.00 0.00 S ATOM 0 H CYS A 7 -6.380 -2.853 7.623 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.577 -5.230 5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.080 -5.481 7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.258 -4.808 8.834 1.00 0.00 H new ATOM 97 N THR A 8 -8.967 -4.002 7.734 1.00 0.00 N ATOM 98 CA THR A 8 -10.440 -4.066 7.950 1.00 0.00 C ATOM 99 C THR A 8 -11.163 -3.466 6.741 1.00 0.00 C ATOM 100 O THR A 8 -12.376 -3.427 6.688 1.00 0.00 O ATOM 101 CB THR A 8 -10.805 -3.276 9.209 1.00 0.00 C ATOM 102 OG1 THR A 8 -12.151 -3.556 9.568 1.00 0.00 O ATOM 103 CG2 THR A 8 -10.646 -1.781 8.935 1.00 0.00 C ATOM 0 H THR A 8 -8.487 -3.257 8.238 1.00 0.00 H new ATOM 0 HA THR A 8 -10.744 -5.106 8.072 1.00 0.00 H new ATOM 0 HB THR A 8 -10.145 -3.565 10.027 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.701 -3.612 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.906 -1.217 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.613 -1.569 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.306 -1.489 8.118 1.00 0.00 H new ATOM 111 N SER A 9 -10.428 -2.999 5.769 1.00 0.00 N ATOM 112 CA SER A 9 -11.077 -2.403 4.566 1.00 0.00 C ATOM 113 C SER A 9 -9.999 -1.912 3.598 1.00 0.00 C ATOM 114 O SER A 9 -8.980 -1.387 4.002 1.00 0.00 O ATOM 115 CB SER A 9 -11.959 -1.228 4.990 1.00 0.00 C ATOM 116 OG SER A 9 -11.504 -0.726 6.240 1.00 0.00 O ATOM 0 H SER A 9 -9.408 -3.004 5.755 1.00 0.00 H new ATOM 0 HA SER A 9 -11.692 -3.156 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.925 -0.442 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.998 -1.548 5.070 1.00 0.00 H new ATOM 0 HG SER A 9 -12.066 0.028 6.514 1.00 0.00 H new ATOM 122 N ILE A 10 -10.213 -2.079 2.321 1.00 0.00 N ATOM 123 CA ILE A 10 -9.199 -1.622 1.329 1.00 0.00 C ATOM 124 C ILE A 10 -8.949 -0.124 1.509 1.00 0.00 C ATOM 125 O ILE A 10 -9.610 0.703 0.911 1.00 0.00 O ATOM 126 CB ILE A 10 -9.714 -1.888 -0.087 1.00 0.00 C ATOM 127 CG1 ILE A 10 -9.959 -3.388 -0.265 1.00 0.00 C ATOM 128 CG2 ILE A 10 -8.675 -1.420 -1.106 1.00 0.00 C ATOM 129 CD1 ILE A 10 -8.649 -4.148 -0.054 1.00 0.00 C ATOM 0 H ILE A 10 -11.046 -2.512 1.922 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.268 -2.167 1.484 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.646 -1.344 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.710 -3.732 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.351 -3.587 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.043 -1.610 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.497 -0.352 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.743 -1.964 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.824 -5.216 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.912 -3.812 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.276 -3.958 0.953 1.00 0.00 H new ATOM 141 N CYS A 11 -7.999 0.234 2.329 1.00 0.00 N ATOM 142 CA CYS A 11 -7.709 1.678 2.548 1.00 0.00 C ATOM 143 C CYS A 11 -7.170 2.296 1.255 1.00 0.00 C ATOM 144 O CYS A 11 -6.370 1.703 0.559 1.00 0.00 O ATOM 145 CB CYS A 11 -6.672 1.828 3.669 1.00 0.00 C ATOM 146 SG CYS A 11 -5.024 1.387 3.056 1.00 0.00 S ATOM 0 H CYS A 11 -7.411 -0.412 2.857 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.626 2.193 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.669 2.854 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.939 1.188 4.510 1.00 0.00 H new ATOM 151 N SER A 12 -7.597 3.486 0.929 1.00 0.00 N ATOM 152 CA SER A 12 -7.102 4.137 -0.315 1.00 0.00 C ATOM 153 C SER A 12 -5.587 3.950 -0.416 1.00 0.00 C ATOM 154 O SER A 12 -4.896 3.857 0.579 1.00 0.00 O ATOM 155 CB SER A 12 -7.428 5.631 -0.273 1.00 0.00 C ATOM 156 OG SER A 12 -6.836 6.208 0.883 1.00 0.00 O ATOM 0 H SER A 12 -8.266 4.034 1.470 1.00 0.00 H new ATOM 0 HA SER A 12 -7.585 3.684 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.054 6.122 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.508 5.779 -0.255 1.00 0.00 H new ATOM 0 HG SER A 12 -7.041 7.166 0.912 1.00 0.00 H new ATOM 162 N LEU A 13 -5.062 3.892 -1.610 1.00 0.00 N ATOM 163 CA LEU A 13 -3.590 3.708 -1.764 1.00 0.00 C ATOM 164 C LEU A 13 -2.858 4.869 -1.086 1.00 0.00 C ATOM 165 O LEU A 13 -1.668 4.812 -0.853 1.00 0.00 O ATOM 166 CB LEU A 13 -3.231 3.678 -3.252 1.00 0.00 C ATOM 167 CG LEU A 13 -2.876 2.247 -3.662 1.00 0.00 C ATOM 168 CD1 LEU A 13 -3.881 1.751 -4.702 1.00 0.00 C ATOM 169 CD2 LEU A 13 -1.469 2.228 -4.264 1.00 0.00 C ATOM 0 H LEU A 13 -5.586 3.964 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.291 2.768 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.069 4.041 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.390 4.343 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.909 1.597 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.629 0.732 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.884 1.769 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.848 2.399 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.212 1.210 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.439 2.876 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.752 2.584 -3.524 1.00 0.00 H new ATOM 181 N TYR A 14 -3.559 5.921 -0.765 1.00 0.00 N ATOM 182 CA TYR A 14 -2.902 7.082 -0.099 1.00 0.00 C ATOM 183 C TYR A 14 -2.162 6.605 1.154 1.00 0.00 C ATOM 184 O TYR A 14 -1.303 7.287 1.676 1.00 0.00 O ATOM 185 CB TYR A 14 -3.967 8.108 0.299 1.00 0.00 C ATOM 186 CG TYR A 14 -3.568 9.473 -0.207 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.673 10.259 0.528 1.00 0.00 C ATOM 188 CD2 TYR A 14 -4.095 9.951 -1.412 1.00 0.00 C ATOM 189 CE1 TYR A 14 -2.303 11.525 0.057 1.00 0.00 C ATOM 190 CE2 TYR A 14 -3.724 11.218 -1.884 1.00 0.00 C ATOM 191 CZ TYR A 14 -2.830 12.003 -1.150 1.00 0.00 C ATOM 192 OH TYR A 14 -2.466 13.251 -1.614 1.00 0.00 O ATOM 0 H TYR A 14 -4.559 6.027 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.191 7.540 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.934 7.823 -0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.079 8.129 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.268 9.889 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.787 9.345 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.612 12.132 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.129 11.587 -2.815 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.920 13.429 -2.464 1.00 0.00 H new ATOM 202 N GLN A 15 -2.491 5.439 1.645 1.00 0.00 N ATOM 203 CA GLN A 15 -1.810 4.923 2.865 1.00 0.00 C ATOM 204 C GLN A 15 -0.431 4.369 2.494 1.00 0.00 C ATOM 205 O GLN A 15 0.583 4.833 2.977 1.00 0.00 O ATOM 206 CB GLN A 15 -2.657 3.809 3.487 1.00 0.00 C ATOM 207 CG GLN A 15 -1.874 3.134 4.616 1.00 0.00 C ATOM 208 CD GLN A 15 -2.533 3.456 5.958 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.977 2.481 6.702 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 -2.645 4.607 6.334 1.00 0.00 N flip ATOM 0 H GLN A 15 -3.203 4.823 1.252 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.690 5.735 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.589 4.221 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.924 3.075 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.849 2.055 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.841 3.481 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.298 5.370 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.086 4.810 7.231 1.00 0.00 H new ATOM 219 N LEU A 16 -0.383 3.378 1.645 1.00 0.00 N ATOM 220 CA LEU A 16 0.940 2.802 1.259 1.00 0.00 C ATOM 221 C LEU A 16 1.575 3.648 0.154 1.00 0.00 C ATOM 222 O LEU A 16 2.618 3.314 -0.370 1.00 0.00 O ATOM 223 CB LEU A 16 0.822 1.336 0.783 1.00 0.00 C ATOM 224 CG LEU A 16 -0.528 1.021 0.113 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.608 0.821 1.180 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.938 2.140 -0.855 1.00 0.00 C ATOM 0 H LEU A 16 -1.194 2.944 1.205 1.00 0.00 H new ATOM 0 HA LEU A 16 1.570 2.813 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.627 1.124 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.960 0.672 1.636 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.419 0.101 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.560 0.599 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.328 -0.008 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.706 1.730 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.895 1.892 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.031 3.078 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.180 2.246 -1.631 1.00 0.00 H new ATOM 238 N GLU A 17 0.960 4.742 -0.204 1.00 0.00 N ATOM 239 CA GLU A 17 1.541 5.601 -1.271 1.00 0.00 C ATOM 240 C GLU A 17 2.489 6.625 -0.642 1.00 0.00 C ATOM 241 O GLU A 17 3.302 7.226 -1.313 1.00 0.00 O ATOM 242 CB GLU A 17 0.418 6.326 -2.013 1.00 0.00 C ATOM 243 CG GLU A 17 -0.120 5.426 -3.128 1.00 0.00 C ATOM 244 CD GLU A 17 -1.028 6.243 -4.050 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.195 6.388 -3.723 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.541 6.710 -5.065 1.00 0.00 O ATOM 0 H GLU A 17 0.083 5.076 0.196 1.00 0.00 H new ATOM 0 HA GLU A 17 2.095 4.981 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.383 6.583 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.789 7.261 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.707 5.001 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.675 4.591 -2.700 1.00 0.00 H new ATOM 253 N ASN A 18 2.399 6.817 0.647 1.00 0.00 N ATOM 254 CA ASN A 18 3.305 7.789 1.320 1.00 0.00 C ATOM 255 C ASN A 18 4.484 7.019 1.904 1.00 0.00 C ATOM 256 O ASN A 18 5.585 7.519 2.009 1.00 0.00 O ATOM 257 CB ASN A 18 2.552 8.509 2.442 1.00 0.00 C ATOM 258 CG ASN A 18 3.551 9.246 3.339 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.899 10.379 3.075 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.030 8.646 4.394 1.00 0.00 N ATOM 0 H ASN A 18 1.737 6.343 1.262 1.00 0.00 H new ATOM 0 HA ASN A 18 3.658 8.531 0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.837 9.215 2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.981 7.791 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.697 9.129 4.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.738 7.694 4.616 1.00 0.00 H new ATOM 267 N TYR A 19 4.249 5.795 2.280 1.00 0.00 N ATOM 268 CA TYR A 19 5.332 4.962 2.859 1.00 0.00 C ATOM 269 C TYR A 19 6.408 4.719 1.798 1.00 0.00 C ATOM 270 O TYR A 19 7.574 4.574 2.104 1.00 0.00 O ATOM 271 CB TYR A 19 4.740 3.629 3.309 1.00 0.00 C ATOM 272 CG TYR A 19 3.596 3.885 4.261 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.589 5.038 5.055 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.541 2.970 4.347 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.526 5.275 5.936 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.479 3.206 5.226 1.00 0.00 C ATOM 277 CZ TYR A 19 1.471 4.359 6.020 1.00 0.00 C ATOM 278 OH TYR A 19 0.424 4.593 6.889 1.00 0.00 O ATOM 0 H TYR A 19 3.342 5.333 2.209 1.00 0.00 H new ATOM 0 HA TYR A 19 5.781 5.471 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.390 3.064 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.505 3.025 3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.403 5.745 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.547 2.081 3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.520 6.164 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.665 2.499 5.292 1.00 0.00 H new ATOM 0 HH TYR A 19 0.298 5.559 6.997 1.00 0.00 H new ATOM 288 N CYS A 20 6.023 4.675 0.553 1.00 0.00 N ATOM 289 CA CYS A 20 7.022 4.445 -0.528 1.00 0.00 C ATOM 290 C CYS A 20 7.810 5.736 -0.764 1.00 0.00 C ATOM 291 O CYS A 20 7.246 6.778 -1.033 1.00 0.00 O ATOM 292 CB CYS A 20 6.293 4.043 -1.814 1.00 0.00 C ATOM 293 SG CYS A 20 7.437 4.113 -3.216 1.00 0.00 S ATOM 0 H CYS A 20 5.060 4.788 0.237 1.00 0.00 H new ATOM 0 HA CYS A 20 7.707 3.648 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.888 3.036 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.449 4.710 -1.988 1.00 0.00 H new ATOM 298 N ASN A 21 9.109 5.675 -0.664 1.00 0.00 N ATOM 299 CA ASN A 21 9.930 6.898 -0.881 1.00 0.00 C ATOM 300 C ASN A 21 10.273 7.028 -2.367 1.00 0.00 C ATOM 301 O ASN A 21 9.893 8.025 -2.959 1.00 0.00 O ATOM 302 CB ASN A 21 11.221 6.798 -0.068 1.00 0.00 C ATOM 303 CG ASN A 21 11.435 8.097 0.713 1.00 0.00 C ATOM 304 OD1 ASN A 21 12.363 8.833 0.444 1.00 0.00 O ATOM 305 ND2 ASN A 21 10.609 8.410 1.674 1.00 0.00 N ATOM 0 H ASN A 21 9.637 4.831 -0.441 1.00 0.00 H new ATOM 0 HA ASN A 21 9.365 7.774 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.166 5.953 0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.067 6.616 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.742 9.274 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.830 7.791 1.899 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N GLU B 1 -12.814 -2.905 -8.263 1.00 0.00 N ATOM 314 CA GLU B 1 -11.741 -3.205 -9.250 1.00 0.00 C ATOM 315 C GLU B 1 -10.783 -4.244 -8.662 1.00 0.00 C ATOM 316 O GLU B 1 -9.603 -3.998 -8.508 1.00 0.00 O ATOM 317 CB GLU B 1 -10.970 -1.923 -9.572 1.00 0.00 C ATOM 318 CG GLU B 1 -9.992 -2.190 -10.716 1.00 0.00 C ATOM 319 CD GLU B 1 -8.599 -1.696 -10.321 1.00 0.00 C ATOM 320 OE1 GLU B 1 -8.522 -0.706 -9.612 1.00 0.00 O ATOM 321 OE2 GLU B 1 -7.632 -2.317 -10.733 1.00 0.00 O ATOM 0 H1 GLU B 1 -13.465 -2.199 -8.662 1.00 0.00 H new ATOM 0 H2 GLU B 1 -13.339 -3.776 -8.045 1.00 0.00 H new ATOM 0 H3 GLU B 1 -12.389 -2.530 -7.391 1.00 0.00 H new ATOM 0 HA GLU B 1 -12.187 -3.599 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -11.663 -1.129 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -10.429 -1.580 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -9.961 -3.256 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -10.327 -1.683 -11.621 1.00 0.00 H new ATOM 330 N VAL B 2 -11.283 -5.405 -8.334 1.00 0.00 N ATOM 331 CA VAL B 2 -10.404 -6.460 -7.757 1.00 0.00 C ATOM 332 C VAL B 2 -9.962 -6.043 -6.354 1.00 0.00 C ATOM 333 O VAL B 2 -9.671 -4.891 -6.100 1.00 0.00 O ATOM 334 CB VAL B 2 -9.175 -6.645 -8.648 1.00 0.00 C ATOM 335 CG1 VAL B 2 -8.502 -7.980 -8.323 1.00 0.00 C ATOM 336 CG2 VAL B 2 -9.607 -6.637 -10.116 1.00 0.00 C ATOM 0 H VAL B 2 -12.263 -5.668 -8.441 1.00 0.00 H new ATOM 0 HA VAL B 2 -10.953 -7.400 -7.700 1.00 0.00 H new ATOM 0 HB VAL B 2 -8.471 -5.832 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -7.626 -8.110 -8.959 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -8.195 -7.988 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -9.204 -8.794 -8.501 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -8.733 -6.769 -10.753 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -10.311 -7.451 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -10.086 -5.686 -10.349 1.00 0.00 H new ATOM 346 N ASN B 3 -9.913 -6.971 -5.439 1.00 0.00 N ATOM 347 CA ASN B 3 -9.493 -6.629 -4.052 1.00 0.00 C ATOM 348 C ASN B 3 -9.504 -7.893 -3.191 1.00 0.00 C ATOM 349 O ASN B 3 -10.448 -8.657 -3.206 1.00 0.00 O ATOM 350 CB ASN B 3 -10.463 -5.602 -3.462 1.00 0.00 C ATOM 351 CG ASN B 3 -11.868 -5.851 -4.017 1.00 0.00 C ATOM 352 OD1 ASN B 3 -12.214 -6.967 -4.351 1.00 0.00 O ATOM 353 ND2 ASN B 3 -12.699 -4.851 -4.128 1.00 0.00 N ATOM 0 H ASN B 3 -10.146 -7.952 -5.592 1.00 0.00 H new ATOM 0 HA ASN B 3 -8.487 -6.209 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -10.471 -5.676 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -10.136 -4.592 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.638 -5.006 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.410 -3.914 -3.848 1.00 0.00 H new ATOM 360 N GLN B 4 -8.462 -8.120 -2.442 1.00 0.00 N ATOM 361 CA GLN B 4 -8.413 -9.337 -1.580 1.00 0.00 C ATOM 362 C GLN B 4 -8.639 -8.936 -0.121 1.00 0.00 C ATOM 363 O GLN B 4 -9.645 -9.267 0.473 1.00 0.00 O ATOM 364 CB GLN B 4 -7.052 -10.036 -1.719 1.00 0.00 C ATOM 365 CG GLN B 4 -6.012 -9.062 -2.281 1.00 0.00 C ATOM 366 CD GLN B 4 -4.708 -9.810 -2.564 1.00 0.00 C ATOM 367 OE1 GLN B 4 -4.667 -11.025 -2.522 1.00 0.00 O ATOM 368 NE2 GLN B 4 -3.632 -9.132 -2.855 1.00 0.00 N ATOM 0 H GLN B 4 -7.641 -7.517 -2.388 1.00 0.00 H new ATOM 0 HA GLN B 4 -9.195 -10.027 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -6.725 -10.408 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -7.144 -10.900 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -6.386 -8.603 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.833 -8.255 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -3.665 -8.113 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -2.758 -9.621 -3.047 1.00 0.00 H new ATOM 377 N HIS B 5 -7.711 -8.227 0.464 1.00 0.00 N ATOM 378 CA HIS B 5 -7.883 -7.812 1.885 1.00 0.00 C ATOM 379 C HIS B 5 -6.671 -6.997 2.339 1.00 0.00 C ATOM 380 O HIS B 5 -6.794 -6.054 3.097 1.00 0.00 O ATOM 381 CB HIS B 5 -8.022 -9.056 2.762 1.00 0.00 C ATOM 382 CG HIS B 5 -8.922 -8.748 3.929 1.00 0.00 C ATOM 383 ND1 HIS B 5 -8.749 -9.337 5.171 1.00 0.00 N ATOM 384 CD2 HIS B 5 -10.006 -7.915 4.055 1.00 0.00 C ATOM 385 CE1 HIS B 5 -9.706 -8.854 5.985 1.00 0.00 C ATOM 386 NE2 HIS B 5 -10.499 -7.984 5.354 1.00 0.00 N ATOM 0 H HIS B 5 -6.845 -7.919 0.021 1.00 0.00 H new ATOM 0 HA HIS B 5 -8.779 -7.198 1.976 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -8.433 -9.881 2.180 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -7.042 -9.374 3.118 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -10.414 -7.300 3.266 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -9.819 -9.136 7.022 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -11.296 -7.478 5.742 1.00 0.00 H new ATOM 394 N LEU B 6 -5.497 -7.350 1.888 1.00 0.00 N ATOM 395 CA LEU B 6 -4.281 -6.591 2.301 1.00 0.00 C ATOM 396 C LEU B 6 -4.109 -6.700 3.818 1.00 0.00 C ATOM 397 O LEU B 6 -4.079 -5.713 4.524 1.00 0.00 O ATOM 398 CB LEU B 6 -4.436 -5.124 1.897 1.00 0.00 C ATOM 399 CG LEU B 6 -3.977 -4.950 0.448 1.00 0.00 C ATOM 400 CD1 LEU B 6 -5.094 -5.384 -0.502 1.00 0.00 C ATOM 401 CD2 LEU B 6 -3.633 -3.480 0.192 1.00 0.00 C ATOM 0 H LEU B 6 -5.328 -8.130 1.253 1.00 0.00 H new ATOM 0 HA LEU B 6 -3.401 -7.006 1.809 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -5.476 -4.814 2.001 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.846 -4.488 2.557 1.00 0.00 H new ATOM 0 HG LEU B 6 -3.095 -5.566 0.274 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -4.764 -5.259 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -5.337 -6.431 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -5.979 -4.772 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -3.306 -3.357 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -4.515 -2.864 0.369 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.833 -3.171 0.865 1.00 0.00 H new ATOM 413 N CYS B 7 -3.994 -7.901 4.321 1.00 0.00 N ATOM 414 CA CYS B 7 -3.824 -8.085 5.791 1.00 0.00 C ATOM 415 C CYS B 7 -2.635 -9.011 6.055 1.00 0.00 C ATOM 416 O CYS B 7 -2.791 -10.112 6.545 1.00 0.00 O ATOM 417 CB CYS B 7 -5.090 -8.713 6.374 1.00 0.00 C ATOM 418 SG CYS B 7 -5.227 -8.283 8.125 1.00 0.00 S ATOM 0 H CYS B 7 -4.011 -8.763 3.776 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.645 -7.117 6.259 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -5.967 -8.359 5.832 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.059 -9.796 6.256 1.00 0.00 H new ATOM 423 N GLY B 8 -1.447 -8.578 5.733 1.00 0.00 N ATOM 424 CA GLY B 8 -0.253 -9.439 5.964 1.00 0.00 C ATOM 425 C GLY B 8 0.125 -10.145 4.662 1.00 0.00 C ATOM 426 O GLY B 8 -0.524 -11.085 4.248 1.00 0.00 O ATOM 0 H GLY B 8 -1.252 -7.666 5.320 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.582 -8.834 6.318 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.466 -10.174 6.740 1.00 0.00 H new ATOM 430 N SER B 9 1.168 -9.691 4.014 1.00 0.00 N ATOM 431 CA SER B 9 1.605 -10.318 2.732 1.00 0.00 C ATOM 432 C SER B 9 0.789 -9.735 1.574 1.00 0.00 C ATOM 433 O SER B 9 1.325 -9.387 0.541 1.00 0.00 O ATOM 434 CB SER B 9 1.410 -11.834 2.795 1.00 0.00 C ATOM 435 OG SER B 9 0.241 -12.193 2.071 1.00 0.00 O ATOM 0 H SER B 9 1.740 -8.905 4.323 1.00 0.00 H new ATOM 0 HA SER B 9 2.662 -10.107 2.572 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.280 -12.341 2.376 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.322 -12.157 3.832 1.00 0.00 H new ATOM 0 HG SER B 9 -0.454 -12.487 2.696 1.00 0.00 H new ATOM 441 N GLU B 10 -0.500 -9.609 1.740 1.00 0.00 N ATOM 442 CA GLU B 10 -1.331 -9.025 0.644 1.00 0.00 C ATOM 443 C GLU B 10 -1.211 -7.502 0.701 1.00 0.00 C ATOM 444 O GLU B 10 -1.160 -6.833 -0.312 1.00 0.00 O ATOM 445 CB GLU B 10 -2.814 -9.434 0.771 1.00 0.00 C ATOM 446 CG GLU B 10 -3.047 -10.308 2.008 1.00 0.00 C ATOM 447 CD GLU B 10 -2.279 -11.622 1.859 1.00 0.00 C ATOM 448 OE1 GLU B 10 -1.836 -11.905 0.759 1.00 0.00 O ATOM 449 OE2 GLU B 10 -2.146 -12.325 2.849 1.00 0.00 O ATOM 0 H GLU B 10 -1.012 -9.882 2.579 1.00 0.00 H new ATOM 0 HA GLU B 10 -0.966 -9.406 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -3.436 -8.541 0.832 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -3.122 -9.976 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -2.718 -9.782 2.904 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -4.112 -10.509 2.129 1.00 0.00 H new ATOM 456 N LEU B 11 -1.145 -6.948 1.883 1.00 0.00 N ATOM 457 CA LEU B 11 -1.009 -5.469 2.005 1.00 0.00 C ATOM 458 C LEU B 11 0.355 -5.056 1.445 1.00 0.00 C ATOM 459 O LEU B 11 0.485 -4.051 0.776 1.00 0.00 O ATOM 460 CB LEU B 11 -1.125 -5.070 3.483 1.00 0.00 C ATOM 461 CG LEU B 11 -0.470 -3.703 3.734 1.00 0.00 C ATOM 462 CD1 LEU B 11 -0.805 -2.733 2.595 1.00 0.00 C ATOM 463 CD2 LEU B 11 -0.995 -3.134 5.054 1.00 0.00 C ATOM 0 H LEU B 11 -1.179 -7.456 2.767 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.797 -4.965 1.445 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.175 -5.033 3.773 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.648 -5.826 4.107 1.00 0.00 H new ATOM 0 HG LEU B 11 0.612 -3.829 3.782 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.334 -1.769 2.787 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.434 -3.136 1.653 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.885 -2.603 2.534 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.535 -2.163 5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.077 -3.018 4.995 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.747 -3.815 5.868 1.00 0.00 H new ATOM 475 N VAL B 12 1.370 -5.837 1.699 1.00 0.00 N ATOM 476 CA VAL B 12 2.718 -5.501 1.168 1.00 0.00 C ATOM 477 C VAL B 12 2.654 -5.442 -0.364 1.00 0.00 C ATOM 478 O VAL B 12 3.292 -4.623 -0.992 1.00 0.00 O ATOM 479 CB VAL B 12 3.730 -6.565 1.653 1.00 0.00 C ATOM 480 CG1 VAL B 12 4.368 -7.319 0.478 1.00 0.00 C ATOM 481 CG2 VAL B 12 4.836 -5.869 2.446 1.00 0.00 C ATOM 0 H VAL B 12 1.322 -6.693 2.252 1.00 0.00 H new ATOM 0 HA VAL B 12 3.045 -4.527 1.533 1.00 0.00 H new ATOM 0 HB VAL B 12 3.195 -7.285 2.272 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.073 -8.058 0.859 1.00 0.00 H new ATOM 0 HG12 VAL B 12 3.590 -7.822 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.894 -6.613 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.556 -6.610 2.793 1.00 0.00 H new ATOM 0 HG22 VAL B 12 5.341 -5.144 1.807 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.401 -5.356 3.304 1.00 0.00 H new ATOM 491 N GLU B 13 1.887 -6.310 -0.965 1.00 0.00 N ATOM 492 CA GLU B 13 1.780 -6.307 -2.450 1.00 0.00 C ATOM 493 C GLU B 13 1.390 -4.908 -2.929 1.00 0.00 C ATOM 494 O GLU B 13 1.839 -4.446 -3.958 1.00 0.00 O ATOM 495 CB GLU B 13 0.713 -7.315 -2.888 1.00 0.00 C ATOM 496 CG GLU B 13 1.281 -8.733 -2.794 1.00 0.00 C ATOM 497 CD GLU B 13 1.271 -9.381 -4.180 1.00 0.00 C ATOM 498 OE1 GLU B 13 0.216 -9.409 -4.793 1.00 0.00 O ATOM 499 OE2 GLU B 13 2.319 -9.840 -4.605 1.00 0.00 O ATOM 0 H GLU B 13 1.330 -7.021 -0.491 1.00 0.00 H new ATOM 0 HA GLU B 13 2.740 -6.585 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.170 -7.223 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.397 -7.105 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.298 -8.703 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.689 -9.328 -2.099 1.00 0.00 H new ATOM 506 N ALA B 14 0.560 -4.226 -2.185 1.00 0.00 N ATOM 507 CA ALA B 14 0.149 -2.854 -2.596 1.00 0.00 C ATOM 508 C ALA B 14 1.377 -1.947 -2.581 1.00 0.00 C ATOM 509 O ALA B 14 1.670 -1.261 -3.541 1.00 0.00 O ATOM 510 CB ALA B 14 -0.890 -2.316 -1.612 1.00 0.00 C ATOM 0 H ALA B 14 0.150 -4.560 -1.313 1.00 0.00 H new ATOM 0 HA ALA B 14 -0.282 -2.881 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.191 -1.312 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.762 -2.970 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.460 -2.281 -0.611 1.00 0.00 H new ATOM 516 N LEU B 15 2.100 -1.949 -1.498 1.00 0.00 N ATOM 517 CA LEU B 15 3.318 -1.098 -1.410 1.00 0.00 C ATOM 518 C LEU B 15 4.291 -1.510 -2.514 1.00 0.00 C ATOM 519 O LEU B 15 5.133 -0.743 -2.934 1.00 0.00 O ATOM 520 CB LEU B 15 3.966 -1.296 -0.040 1.00 0.00 C ATOM 521 CG LEU B 15 3.011 -0.802 1.044 1.00 0.00 C ATOM 522 CD1 LEU B 15 3.061 -1.758 2.233 1.00 0.00 C ATOM 523 CD2 LEU B 15 3.430 0.597 1.494 1.00 0.00 C ATOM 0 H LEU B 15 1.900 -2.505 -0.667 1.00 0.00 H new ATOM 0 HA LEU B 15 3.056 -0.047 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.199 -2.349 0.116 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.908 -0.750 0.012 1.00 0.00 H new ATOM 0 HG LEU B 15 1.996 -0.765 0.648 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.380 -1.409 3.009 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.763 -2.756 1.911 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.076 -1.793 2.629 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.748 0.950 2.268 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.444 0.563 1.892 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.397 1.278 0.643 1.00 0.00 H new ATOM 535 N GLU B 16 4.171 -2.716 -2.996 1.00 0.00 N ATOM 536 CA GLU B 16 5.075 -3.175 -4.086 1.00 0.00 C ATOM 537 C GLU B 16 4.540 -2.646 -5.417 1.00 0.00 C ATOM 538 O GLU B 16 5.287 -2.380 -6.338 1.00 0.00 O ATOM 539 CB GLU B 16 5.109 -4.704 -4.113 1.00 0.00 C ATOM 540 CG GLU B 16 6.422 -5.171 -4.741 1.00 0.00 C ATOM 541 CD GLU B 16 6.254 -6.595 -5.275 1.00 0.00 C ATOM 542 OE1 GLU B 16 5.311 -6.821 -6.016 1.00 0.00 O ATOM 543 OE2 GLU B 16 7.071 -7.434 -4.936 1.00 0.00 O ATOM 0 H GLU B 16 3.486 -3.403 -2.682 1.00 0.00 H new ATOM 0 HA GLU B 16 6.085 -2.802 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU B 16 5.016 -5.099 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU B 16 4.263 -5.088 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU B 16 6.710 -4.499 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.222 -5.141 -4.002 1.00 0.00 H new ATOM 550 N LEU B 17 3.250 -2.475 -5.516 1.00 0.00 N ATOM 551 CA LEU B 17 2.657 -1.946 -6.776 1.00 0.00 C ATOM 552 C LEU B 17 2.954 -0.449 -6.863 1.00 0.00 C ATOM 553 O LEU B 17 3.075 0.114 -7.932 1.00 0.00 O ATOM 554 CB LEU B 17 1.141 -2.164 -6.759 1.00 0.00 C ATOM 555 CG LEU B 17 0.684 -2.720 -8.108 1.00 0.00 C ATOM 556 CD1 LEU B 17 -0.055 -4.041 -7.893 1.00 0.00 C ATOM 557 CD2 LEU B 17 -0.257 -1.718 -8.780 1.00 0.00 C ATOM 0 H LEU B 17 2.579 -2.680 -4.775 1.00 0.00 H new ATOM 0 HA LEU B 17 3.084 -2.463 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.872 -2.855 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.631 -1.223 -6.551 1.00 0.00 H new ATOM 0 HG LEU B 17 1.554 -2.888 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.380 -4.437 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.612 -4.757 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.924 -3.872 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.583 -2.114 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -1.126 -1.551 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.266 -0.775 -8.935 1.00 0.00 H new ATOM 569 N VAL B 18 3.080 0.195 -5.733 1.00 0.00 N ATOM 570 CA VAL B 18 3.379 1.655 -5.730 1.00 0.00 C ATOM 571 C VAL B 18 4.882 1.850 -5.885 1.00 0.00 C ATOM 572 O VAL B 18 5.356 2.397 -6.861 1.00 0.00 O ATOM 573 CB VAL B 18 2.939 2.283 -4.403 1.00 0.00 C ATOM 574 CG1 VAL B 18 2.379 3.683 -4.660 1.00 0.00 C ATOM 575 CG2 VAL B 18 1.863 1.420 -3.755 1.00 0.00 C ATOM 0 H VAL B 18 2.988 -0.229 -4.810 1.00 0.00 H new ATOM 0 HA VAL B 18 2.842 2.131 -6.551 1.00 0.00 H new ATOM 0 HB VAL B 18 3.799 2.350 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.066 4.129 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.149 4.304 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.522 3.615 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL B 18 1.554 1.871 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL B 18 1.004 1.348 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.261 0.423 -3.567 1.00 0.00 H new ATOM 585 N CYS B 19 5.636 1.406 -4.919 1.00 0.00 N ATOM 586 CA CYS B 19 7.109 1.561 -4.996 1.00 0.00 C ATOM 587 C CYS B 19 7.655 0.687 -6.127 1.00 0.00 C ATOM 588 O CYS B 19 7.927 1.161 -7.212 1.00 0.00 O ATOM 589 CB CYS B 19 7.736 1.132 -3.667 1.00 0.00 C ATOM 590 SG CYS B 19 8.650 2.521 -2.950 1.00 0.00 S ATOM 0 H CYS B 19 5.292 0.942 -4.079 1.00 0.00 H new ATOM 0 HA CYS B 19 7.356 2.604 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS B 19 6.960 0.800 -2.978 1.00 0.00 H new ATOM 0 HB3 CYS B 19 8.405 0.286 -3.825 1.00 0.00 H new ATOM 595 N GLY B 20 7.816 -0.584 -5.881 1.00 0.00 N ATOM 596 CA GLY B 20 8.342 -1.489 -6.942 1.00 0.00 C ATOM 597 C GLY B 20 9.514 -0.812 -7.653 1.00 0.00 C ATOM 598 O GLY B 20 9.666 -0.913 -8.855 1.00 0.00 O ATOM 0 H GLY B 20 7.606 -1.035 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.665 -2.433 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY B 20 7.555 -1.724 -7.658 1.00 0.00 H new ATOM 602 N GLU B 21 10.343 -0.123 -6.921 1.00 0.00 N ATOM 603 CA GLU B 21 11.504 0.562 -7.555 1.00 0.00 C ATOM 604 C GLU B 21 12.628 0.704 -6.529 1.00 0.00 C ATOM 605 O GLU B 21 13.769 0.383 -6.795 1.00 0.00 O ATOM 606 CB GLU B 21 11.072 1.948 -8.039 1.00 0.00 C ATOM 607 CG GLU B 21 10.335 2.673 -6.911 1.00 0.00 C ATOM 608 CD GLU B 21 9.482 3.800 -7.497 1.00 0.00 C ATOM 609 OE1 GLU B 21 9.569 4.021 -8.693 1.00 0.00 O ATOM 610 OE2 GLU B 21 8.759 4.424 -6.739 1.00 0.00 O ATOM 0 H GLU B 21 10.267 -0.004 -5.911 1.00 0.00 H new ATOM 0 HA GLU B 21 11.859 -0.023 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.943 2.525 -8.349 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.424 1.855 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.704 1.971 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.051 3.079 -6.197 1.00 0.00 H new ATOM 617 N ARG B 22 12.314 1.189 -5.360 1.00 0.00 N ATOM 618 CA ARG B 22 13.365 1.359 -4.315 1.00 0.00 C ATOM 619 C ARG B 22 12.951 0.617 -3.042 1.00 0.00 C ATOM 620 O ARG B 22 13.739 0.438 -2.134 1.00 0.00 O ATOM 621 CB ARG B 22 13.540 2.847 -4.002 1.00 0.00 C ATOM 622 CG ARG B 22 13.557 3.648 -5.307 1.00 0.00 C ATOM 623 CD ARG B 22 14.984 3.703 -5.853 1.00 0.00 C ATOM 624 NE ARG B 22 15.458 5.122 -5.879 1.00 0.00 N ATOM 625 CZ ARG B 22 14.721 6.075 -6.395 1.00 0.00 C ATOM 626 NH1 ARG B 22 13.640 5.793 -7.073 1.00 0.00 N ATOM 627 NH2 ARG B 22 15.104 7.318 -6.279 1.00 0.00 N ATOM 0 H ARG B 22 11.375 1.475 -5.082 1.00 0.00 H new ATOM 0 HA ARG B 22 14.306 0.951 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG B 22 12.728 3.192 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG B 22 14.468 3.007 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG B 22 12.894 3.186 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG B 22 13.184 4.657 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG B 22 15.645 3.100 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG B 22 15.016 3.280 -6.857 1.00 0.00 H new ATOM 0 HE ARG B 22 16.372 5.352 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG B 22 13.360 4.821 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG B 22 13.076 6.545 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG B 22 15.971 7.541 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG B 22 14.536 8.066 -6.678 1.00 0.00 H new ATOM 641 N GLY B 23 11.722 0.184 -2.964 1.00 0.00 N ATOM 642 CA GLY B 23 11.263 -0.542 -1.747 1.00 0.00 C ATOM 643 C GLY B 23 10.648 0.452 -0.761 1.00 0.00 C ATOM 644 O GLY B 23 10.978 1.621 -0.756 1.00 0.00 O ATOM 0 H GLY B 23 11.016 0.302 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY B 23 10.530 -1.302 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY B 23 12.102 -1.060 -1.282 1.00 0.00 H new ATOM 648 N PHE B 24 9.754 -0.002 0.075 1.00 0.00 N ATOM 649 CA PHE B 24 9.116 0.917 1.058 1.00 0.00 C ATOM 650 C PHE B 24 9.490 0.487 2.478 1.00 0.00 C ATOM 651 O PHE B 24 10.301 -0.395 2.677 1.00 0.00 O ATOM 652 CB PHE B 24 7.595 0.867 0.890 1.00 0.00 C ATOM 653 CG PHE B 24 7.174 -0.522 0.474 1.00 0.00 C ATOM 654 CD1 PHE B 24 7.271 -0.901 -0.866 1.00 0.00 C ATOM 655 CD2 PHE B 24 6.685 -1.424 1.424 1.00 0.00 C ATOM 656 CE1 PHE B 24 6.878 -2.185 -1.264 1.00 0.00 C ATOM 657 CE2 PHE B 24 6.292 -2.709 1.031 1.00 0.00 C ATOM 658 CZ PHE B 24 6.389 -3.089 -0.314 1.00 0.00 C ATOM 0 H PHE B 24 9.438 -0.971 0.119 1.00 0.00 H new ATOM 0 HA PHE B 24 9.466 1.935 0.885 1.00 0.00 H new ATOM 0 HB2 PHE B 24 7.107 1.140 1.826 1.00 0.00 H new ATOM 0 HB3 PHE B 24 7.278 1.593 0.141 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.650 -0.203 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.611 -1.130 2.460 1.00 0.00 H new ATOM 0 HE1 PHE B 24 6.952 -2.477 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.914 -3.407 1.764 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.086 -4.080 -0.618 1.00 0.00 H new ATOM 668 N PHE B 25 8.906 1.105 3.470 1.00 0.00 N ATOM 669 CA PHE B 25 9.231 0.733 4.875 1.00 0.00 C ATOM 670 C PHE B 25 8.813 -0.717 5.131 1.00 0.00 C ATOM 671 O PHE B 25 9.634 -1.572 5.393 1.00 0.00 O ATOM 672 CB PHE B 25 8.476 1.656 5.834 1.00 0.00 C ATOM 673 CG PHE B 25 9.308 2.882 6.111 1.00 0.00 C ATOM 674 CD1 PHE B 25 9.246 3.979 5.246 1.00 0.00 C ATOM 675 CD2 PHE B 25 10.144 2.921 7.234 1.00 0.00 C ATOM 676 CE1 PHE B 25 10.019 5.117 5.502 1.00 0.00 C ATOM 677 CE2 PHE B 25 10.918 4.059 7.490 1.00 0.00 C ATOM 678 CZ PHE B 25 10.856 5.157 6.625 1.00 0.00 C ATOM 0 H PHE B 25 8.218 1.851 3.367 1.00 0.00 H new ATOM 0 HA PHE B 25 10.304 0.836 5.038 1.00 0.00 H new ATOM 0 HB2 PHE B 25 7.518 1.944 5.400 1.00 0.00 H new ATOM 0 HB3 PHE B 25 8.260 1.132 6.765 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.601 3.948 4.380 1.00 0.00 H new ATOM 0 HD2 PHE B 25 10.191 2.074 7.902 1.00 0.00 H new ATOM 0 HE1 PHE B 25 9.970 5.964 4.834 1.00 0.00 H new ATOM 0 HE2 PHE B 25 11.563 4.089 8.356 1.00 0.00 H new ATOM 0 HZ PHE B 25 11.453 6.035 6.823 1.00 0.00 H new ATOM 688 N TYR B 26 7.541 -0.997 5.058 1.00 0.00 N ATOM 689 CA TYR B 26 7.071 -2.391 5.299 1.00 0.00 C ATOM 690 C TYR B 26 7.937 -3.365 4.496 1.00 0.00 C ATOM 691 O TYR B 26 7.900 -3.386 3.281 1.00 0.00 O ATOM 692 CB TYR B 26 5.612 -2.519 4.855 1.00 0.00 C ATOM 693 CG TYR B 26 4.975 -3.696 5.555 1.00 0.00 C ATOM 694 CD1 TYR B 26 5.359 -4.999 5.220 1.00 0.00 C ATOM 695 CD2 TYR B 26 4.000 -3.483 6.537 1.00 0.00 C ATOM 696 CE1 TYR B 26 4.767 -6.091 5.869 1.00 0.00 C ATOM 697 CE2 TYR B 26 3.409 -4.573 7.185 1.00 0.00 C ATOM 698 CZ TYR B 26 3.792 -5.878 6.850 1.00 0.00 C ATOM 699 OH TYR B 26 3.210 -6.954 7.490 1.00 0.00 O ATOM 0 H TYR B 26 6.807 -0.322 4.842 1.00 0.00 H new ATOM 0 HA TYR B 26 7.150 -2.625 6.361 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.068 -1.604 5.090 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.560 -2.653 3.775 1.00 0.00 H new ATOM 0 HD1 TYR B 26 6.111 -5.163 4.462 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.704 -2.477 6.794 1.00 0.00 H new ATOM 0 HE1 TYR B 26 5.063 -7.097 5.612 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.658 -4.408 7.943 1.00 0.00 H new ATOM 0 HH TYR B 26 2.555 -6.631 8.143 1.00 0.00 H new ATOM 709 N GLU B 27 8.714 -4.174 5.164 1.00 0.00 N ATOM 710 CA GLU B 27 9.579 -5.144 4.435 1.00 0.00 C ATOM 711 C GLU B 27 8.999 -6.558 4.587 1.00 0.00 C ATOM 712 O GLU B 27 8.745 -7.002 5.688 1.00 0.00 O ATOM 713 CB GLU B 27 10.991 -5.105 5.023 1.00 0.00 C ATOM 714 CG GLU B 27 11.926 -4.377 4.056 1.00 0.00 C ATOM 715 CD GLU B 27 13.157 -5.243 3.784 1.00 0.00 C ATOM 716 OE1 GLU B 27 13.061 -6.132 2.955 1.00 0.00 O ATOM 717 OE2 GLU B 27 14.177 -5.001 4.410 1.00 0.00 O ATOM 0 H GLU B 27 8.787 -4.205 6.181 1.00 0.00 H new ATOM 0 HA GLU B 27 9.617 -4.879 3.378 1.00 0.00 H new ATOM 0 HB2 GLU B 27 10.981 -4.597 5.987 1.00 0.00 H new ATOM 0 HB3 GLU B 27 11.351 -6.119 5.200 1.00 0.00 H new ATOM 0 HG2 GLU B 27 11.406 -4.163 3.122 1.00 0.00 H new ATOM 0 HG3 GLU B 27 12.229 -3.419 4.479 1.00 0.00 H new ATOM 724 N PRO B 28 8.807 -7.223 3.475 1.00 0.00 N ATOM 725 CA PRO B 28 8.255 -8.597 3.433 1.00 0.00 C ATOM 726 C PRO B 28 9.176 -9.556 4.194 1.00 0.00 C ATOM 727 O PRO B 28 10.242 -9.184 4.643 1.00 0.00 O ATOM 728 CB PRO B 28 8.191 -8.984 1.952 1.00 0.00 C ATOM 729 CG PRO B 28 8.728 -7.793 1.136 1.00 0.00 C ATOM 730 CD PRO B 28 9.115 -6.690 2.127 1.00 0.00 C ATOM 0 HA PRO B 28 7.271 -8.649 3.899 1.00 0.00 H new ATOM 0 HB2 PRO B 28 8.787 -9.877 1.763 1.00 0.00 H new ATOM 0 HB3 PRO B 28 7.167 -9.217 1.661 1.00 0.00 H new ATOM 0 HG2 PRO B 28 9.591 -8.094 0.542 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.971 -7.434 0.439 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.172 -6.440 2.039 1.00 0.00 H new ATOM 0 HD3 PRO B 28 8.554 -5.776 1.932 1.00 0.00 H new ATOM 738 N LYS B 29 8.774 -10.788 4.340 1.00 0.00 N ATOM 739 CA LYS B 29 9.623 -11.771 5.070 1.00 0.00 C ATOM 740 C LYS B 29 10.849 -12.113 4.222 1.00 0.00 C ATOM 741 O LYS B 29 11.239 -13.270 4.220 1.00 0.00 O ATOM 742 CB LYS B 29 8.815 -13.041 5.338 1.00 0.00 C ATOM 743 CG LYS B 29 8.468 -13.711 4.011 1.00 0.00 C ATOM 744 CD LYS B 29 7.174 -14.511 4.166 1.00 0.00 C ATOM 745 CE LYS B 29 6.067 -13.855 3.337 1.00 0.00 C ATOM 746 NZ LYS B 29 6.285 -14.153 1.894 1.00 0.00 N ATOM 0 H LYS B 29 7.892 -11.157 3.984 1.00 0.00 H new ATOM 0 HA LYS B 29 9.947 -11.341 6.018 1.00 0.00 H new ATOM 0 HB2 LYS B 29 9.388 -13.725 5.964 1.00 0.00 H new ATOM 0 HB3 LYS B 29 7.904 -12.797 5.884 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.351 -12.958 3.231 1.00 0.00 H new ATOM 0 HG3 LYS B 29 9.280 -14.369 3.700 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.328 -15.539 3.838 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.882 -14.551 5.215 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.092 -14.227 3.653 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.065 -12.777 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.497 -13.765 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.177 -13.719 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.333 -15.183 1.756 1.00 0.00 H new TER 760 LYS B 29