USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 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 1 PHE N :NH3+ -175:sc= 0.542 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= 0.421 K(o=0.96,f=-4.5!) USER MOD Set 2.1: A 5 GLN : amide:sc= 1.59 K(o=2.8,f=0.57) USER MOD Set 2.2: A 15 GLN : amide:sc= 1.19 K(o=2.8,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -165:sc= 1.15 (180deg=0.746) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 9 SER OG : rot 21:sc= 0.158 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 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 21 ASN : amide:sc= -0.077 X(o=-0.077,f=-0.042) USER MOD Single : B 4 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.75) USER MOD Single : B 5 HIS : no HE2:sc= 0.719 K(o=0.72,f=-2.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.968 K(o=0.97,f=-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 25:sc= 0.0636 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 -3.443 9.475 -0.587 1.00 0.00 N ATOM 2 CA GLY A 1 -3.434 8.165 -1.274 1.00 0.00 C ATOM 3 C GLY A 1 -2.110 7.907 -1.981 1.00 0.00 C ATOM 4 O GLY A 1 -1.131 8.622 -1.765 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.238 9.511 0.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.550 9.602 -0.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.547 10.235 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.619 7.373 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.247 8.129 -2.000 1.00 0.00 H new ATOM 10 N ILE A 2 -2.053 6.850 -2.804 1.00 0.00 N ATOM 11 CA ILE A 2 -0.795 6.378 -3.432 1.00 0.00 C ATOM 12 C ILE A 2 -0.486 6.997 -4.800 1.00 0.00 C ATOM 13 O ILE A 2 0.686 7.118 -5.139 1.00 0.00 O ATOM 14 CB ILE A 2 -0.764 4.836 -3.524 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.905 4.272 -4.400 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.770 4.240 -2.104 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.818 2.763 -4.644 1.00 0.00 C ATOM 0 H ILE A 2 -2.871 6.295 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.005 6.726 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 2 0.157 4.539 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.859 4.498 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.898 4.786 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.748 3.152 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.107 4.590 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.673 4.556 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.655 2.446 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.881 2.530 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.857 2.237 -3.690 1.00 0.00 H new ATOM 29 N VAL A 3 -1.486 7.404 -5.585 1.00 0.00 N ATOM 30 CA VAL A 3 -1.292 7.834 -6.993 1.00 0.00 C ATOM 31 C VAL A 3 -0.480 9.133 -7.044 1.00 0.00 C ATOM 32 O VAL A 3 0.455 9.277 -7.827 1.00 0.00 O ATOM 33 CB VAL A 3 -2.634 8.037 -7.740 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.401 8.239 -9.248 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.611 6.867 -7.534 1.00 0.00 C ATOM 0 H VAL A 3 -2.456 7.449 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.749 7.034 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.084 8.933 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.359 8.379 -9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.777 9.119 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.901 7.362 -9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.534 7.063 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.159 5.946 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.833 6.761 -6.472 1.00 0.00 H new ATOM 45 N GLU A 4 -0.809 10.046 -6.128 1.00 0.00 N ATOM 46 CA GLU A 4 -0.136 11.313 -5.860 1.00 0.00 C ATOM 47 C GLU A 4 1.243 11.158 -5.179 1.00 0.00 C ATOM 48 O GLU A 4 1.913 12.161 -4.925 1.00 0.00 O ATOM 49 CB GLU A 4 -1.097 12.216 -5.051 1.00 0.00 C ATOM 50 CG GLU A 4 -1.494 11.699 -3.653 1.00 0.00 C ATOM 51 CD GLU A 4 -2.766 10.834 -3.616 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.818 9.775 -4.281 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.686 11.160 -2.830 1.00 0.00 O ATOM 0 H GLU A 4 -1.610 9.907 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 4 0.097 11.784 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.633 13.196 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.006 12.360 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.666 11.117 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.635 12.555 -2.993 1.00 0.00 H new ATOM 60 N GLN A 5 1.687 9.926 -4.901 1.00 0.00 N ATOM 61 CA GLN A 5 3.088 9.608 -4.620 1.00 0.00 C ATOM 62 C GLN A 5 3.715 8.914 -5.840 1.00 0.00 C ATOM 63 O GLN A 5 4.672 9.433 -6.406 1.00 0.00 O ATOM 64 CB GLN A 5 3.184 8.727 -3.360 1.00 0.00 C ATOM 65 CG GLN A 5 4.642 8.509 -2.925 1.00 0.00 C ATOM 66 CD GLN A 5 4.803 7.343 -1.948 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.968 7.070 -1.094 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.871 6.584 -2.065 1.00 0.00 N ATOM 0 H GLN A 5 1.073 9.112 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 5 3.643 10.527 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.628 9.194 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.715 7.763 -3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.255 8.325 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.017 9.421 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.575 6.799 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.995 5.780 -1.449 1.00 0.00 H new ATOM 77 N CYS A 6 3.182 7.762 -6.257 1.00 0.00 N ATOM 78 CA CYS A 6 3.757 6.879 -7.278 1.00 0.00 C ATOM 79 C CYS A 6 3.980 7.523 -8.651 1.00 0.00 C ATOM 80 O CYS A 6 4.885 7.120 -9.384 1.00 0.00 O ATOM 81 CB CYS A 6 2.807 5.688 -7.458 1.00 0.00 C ATOM 82 SG CYS A 6 2.669 4.516 -6.084 1.00 0.00 S ATOM 0 H CYS A 6 2.305 7.404 -5.879 1.00 0.00 H new ATOM 0 HA CYS A 6 4.746 6.598 -6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.812 6.080 -7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.124 5.135 -8.342 1.00 0.00 H new ATOM 87 N CYS A 7 3.141 8.493 -9.024 1.00 0.00 N ATOM 88 CA CYS A 7 3.141 9.083 -10.369 1.00 0.00 C ATOM 89 C CYS A 7 4.175 10.215 -10.519 1.00 0.00 C ATOM 90 O CYS A 7 4.825 10.319 -11.563 1.00 0.00 O ATOM 91 CB CYS A 7 1.716 9.575 -10.677 1.00 0.00 C ATOM 92 SG CYS A 7 1.388 10.014 -12.404 1.00 0.00 S ATOM 0 H CYS A 7 2.440 8.894 -8.401 1.00 0.00 H new ATOM 0 HA CYS A 7 3.438 8.322 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.012 8.798 -10.380 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.511 10.446 -10.055 1.00 0.00 H new ATOM 97 N THR A 8 4.333 11.046 -9.479 1.00 0.00 N ATOM 98 CA THR A 8 5.235 12.217 -9.442 1.00 0.00 C ATOM 99 C THR A 8 6.551 11.952 -8.718 1.00 0.00 C ATOM 100 O THR A 8 7.579 12.513 -9.091 1.00 0.00 O ATOM 101 CB THR A 8 4.521 13.402 -8.779 1.00 0.00 C ATOM 102 OG1 THR A 8 3.937 12.974 -7.563 1.00 0.00 O ATOM 103 CG2 THR A 8 3.421 13.952 -9.686 1.00 0.00 C ATOM 0 H THR A 8 3.820 10.921 -8.606 1.00 0.00 H new ATOM 0 HA THR A 8 5.485 12.444 -10.478 1.00 0.00 H new ATOM 0 HB THR A 8 5.254 14.188 -8.596 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.481 13.729 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.929 14.791 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.859 14.288 -10.626 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.689 13.169 -9.886 1.00 0.00 H new ATOM 111 N SER A 9 6.541 11.086 -7.710 1.00 0.00 N ATOM 112 CA SER A 9 7.715 10.583 -6.992 1.00 0.00 C ATOM 113 C SER A 9 7.835 9.052 -7.171 1.00 0.00 C ATOM 114 O SER A 9 7.200 8.466 -8.049 1.00 0.00 O ATOM 115 CB SER A 9 7.604 10.992 -5.513 1.00 0.00 C ATOM 116 OG SER A 9 8.837 10.807 -4.832 1.00 0.00 O ATOM 0 H SER A 9 5.671 10.694 -7.351 1.00 0.00 H new ATOM 0 HA SER A 9 8.627 11.020 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.301 12.037 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.826 10.402 -5.028 1.00 0.00 H new ATOM 0 HG SER A 9 9.569 10.782 -5.483 1.00 0.00 H new ATOM 122 N ILE A 10 8.669 8.389 -6.370 1.00 0.00 N ATOM 123 CA ILE A 10 8.842 6.927 -6.368 1.00 0.00 C ATOM 124 C ILE A 10 7.981 6.276 -5.268 1.00 0.00 C ATOM 125 O ILE A 10 7.741 6.883 -4.219 1.00 0.00 O ATOM 126 CB ILE A 10 10.354 6.600 -6.263 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.639 5.153 -6.709 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.920 6.899 -4.859 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.127 4.833 -6.891 1.00 0.00 C ATOM 0 H ILE A 10 9.260 8.861 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 10 8.484 6.496 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 10 10.880 7.264 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.219 4.468 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.121 4.966 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.982 6.654 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.786 7.956 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.392 6.298 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.240 3.795 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.550 5.491 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.650 4.985 -5.947 1.00 0.00 H new ATOM 141 N CYS A 11 7.523 5.037 -5.473 1.00 0.00 N ATOM 142 CA CYS A 11 6.797 4.265 -4.453 1.00 0.00 C ATOM 143 C CYS A 11 7.157 2.775 -4.456 1.00 0.00 C ATOM 144 O CYS A 11 7.644 2.236 -5.449 1.00 0.00 O ATOM 145 CB CYS A 11 5.287 4.483 -4.598 1.00 0.00 C ATOM 146 SG CYS A 11 4.507 3.659 -6.009 1.00 0.00 S ATOM 0 H CYS A 11 7.645 4.537 -6.354 1.00 0.00 H new ATOM 0 HA CYS A 11 7.113 4.641 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.800 4.140 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.099 5.554 -4.677 1.00 0.00 H new ATOM 151 N SER A 12 6.935 2.115 -3.322 1.00 0.00 N ATOM 152 CA SER A 12 7.373 0.733 -3.075 1.00 0.00 C ATOM 153 C SER A 12 6.222 -0.272 -3.190 1.00 0.00 C ATOM 154 O SER A 12 5.073 0.049 -2.885 1.00 0.00 O ATOM 155 CB SER A 12 8.012 0.619 -1.682 1.00 0.00 C ATOM 156 OG SER A 12 9.092 1.530 -1.536 1.00 0.00 O ATOM 0 H SER A 12 6.438 2.527 -2.532 1.00 0.00 H new ATOM 0 HA SER A 12 8.107 0.490 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.261 0.816 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.368 -0.399 -1.524 1.00 0.00 H new ATOM 0 HG SER A 12 9.479 1.438 -0.640 1.00 0.00 H new ATOM 162 N LEU A 13 6.518 -1.529 -3.545 1.00 0.00 N ATOM 163 CA LEU A 13 5.509 -2.601 -3.605 1.00 0.00 C ATOM 164 C LEU A 13 4.849 -2.837 -2.238 1.00 0.00 C ATOM 165 O LEU A 13 3.658 -3.117 -2.157 1.00 0.00 O ATOM 166 CB LEU A 13 6.160 -3.894 -4.119 1.00 0.00 C ATOM 167 CG LEU A 13 6.849 -3.802 -5.501 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.271 -5.208 -5.951 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.980 -3.158 -6.590 1.00 0.00 C ATOM 0 H LEU A 13 7.458 -1.833 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 13 4.724 -2.291 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.899 -4.221 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.395 -4.669 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 13 7.713 -3.150 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.757 -5.148 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.965 -5.630 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.390 -5.846 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.534 -3.130 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.070 -3.743 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.718 -2.142 -6.293 1.00 0.00 H new ATOM 181 N TYR A 14 5.601 -2.643 -1.155 1.00 0.00 N ATOM 182 CA TYR A 14 5.093 -2.667 0.223 1.00 0.00 C ATOM 183 C TYR A 14 4.036 -1.577 0.510 1.00 0.00 C ATOM 184 O TYR A 14 3.103 -1.785 1.290 1.00 0.00 O ATOM 185 CB TYR A 14 6.291 -2.486 1.166 1.00 0.00 C ATOM 186 CG TYR A 14 7.406 -3.503 0.986 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.173 -4.864 1.271 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.670 -3.093 0.511 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.197 -5.811 1.080 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.697 -4.037 0.323 1.00 0.00 C ATOM 191 CZ TYR A 14 9.468 -5.401 0.611 1.00 0.00 C ATOM 192 OH TYR A 14 10.460 -6.322 0.441 1.00 0.00 O ATOM 0 H TYR A 14 6.603 -2.460 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 14 4.590 -3.621 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.703 -1.487 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.936 -2.536 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.207 -5.181 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.850 -2.051 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.012 -6.854 1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.662 -3.718 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 14 11.268 -5.876 0.112 1.00 0.00 H new ATOM 202 N GLN A 15 4.157 -0.423 -0.154 1.00 0.00 N ATOM 203 CA GLN A 15 3.197 0.687 -0.084 1.00 0.00 C ATOM 204 C GLN A 15 1.982 0.417 -0.987 1.00 0.00 C ATOM 205 O GLN A 15 0.858 0.729 -0.599 1.00 0.00 O ATOM 206 CB GLN A 15 3.879 2.011 -0.471 1.00 0.00 C ATOM 207 CG GLN A 15 5.004 2.414 0.500 1.00 0.00 C ATOM 208 CD GLN A 15 5.807 3.628 0.023 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.021 3.845 -1.162 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.306 4.451 0.921 1.00 0.00 N ATOM 0 H GLN A 15 4.945 -0.229 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 15 2.842 0.769 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.289 1.922 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.131 2.803 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.571 2.633 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.680 1.569 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.138 4.286 1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.861 5.254 0.624 1.00 0.00 H new ATOM 219 N LEU A 16 2.178 -0.227 -2.150 1.00 0.00 N ATOM 220 CA LEU A 16 1.069 -0.748 -2.967 1.00 0.00 C ATOM 221 C LEU A 16 0.252 -1.815 -2.215 1.00 0.00 C ATOM 222 O LEU A 16 -0.975 -1.811 -2.310 1.00 0.00 O ATOM 223 CB LEU A 16 1.594 -1.326 -4.295 1.00 0.00 C ATOM 224 CG LEU A 16 2.350 -0.344 -5.207 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.686 -1.053 -6.523 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.548 0.927 -5.509 1.00 0.00 C ATOM 0 H LEU A 16 3.101 -0.400 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 16 0.407 0.091 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.255 -2.162 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.749 -1.730 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 16 3.253 -0.035 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.222 -0.367 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.310 -1.923 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.765 -1.374 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.133 1.581 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.617 0.660 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.323 1.446 -4.577 1.00 0.00 H new ATOM 238 N GLU A 17 0.905 -2.693 -1.443 1.00 0.00 N ATOM 239 CA GLU A 17 0.235 -3.742 -0.669 1.00 0.00 C ATOM 240 C GLU A 17 -0.700 -3.176 0.419 1.00 0.00 C ATOM 241 O GLU A 17 -1.745 -3.761 0.704 1.00 0.00 O ATOM 242 CB GLU A 17 1.262 -4.725 -0.083 1.00 0.00 C ATOM 243 CG GLU A 17 0.560 -5.944 0.543 1.00 0.00 C ATOM 244 CD GLU A 17 1.510 -7.117 0.820 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.570 -6.919 1.463 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.170 -8.257 0.419 1.00 0.00 O ATOM 0 H GLU A 17 1.920 -2.694 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.406 -4.290 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.943 -5.056 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.865 -4.220 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.086 -5.641 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.234 -6.279 -0.124 1.00 0.00 H new ATOM 253 N ASN A 18 -0.394 -2.001 0.982 1.00 0.00 N ATOM 254 CA ASN A 18 -1.283 -1.304 1.923 1.00 0.00 C ATOM 255 C ASN A 18 -2.640 -0.902 1.290 1.00 0.00 C ATOM 256 O ASN A 18 -3.623 -0.692 1.999 1.00 0.00 O ATOM 257 CB ASN A 18 -0.532 -0.078 2.471 1.00 0.00 C ATOM 258 CG ASN A 18 -1.305 0.627 3.580 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.556 0.070 4.643 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.705 1.871 3.374 1.00 0.00 N ATOM 0 H ASN A 18 0.478 -1.505 0.798 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.538 -1.986 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.440 -0.391 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.346 0.624 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.222 2.367 4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.496 2.334 2.490 1.00 0.00 H new ATOM 267 N TYR A 19 -2.704 -0.821 -0.045 1.00 0.00 N ATOM 268 CA TYR A 19 -3.910 -0.543 -0.836 1.00 0.00 C ATOM 269 C TYR A 19 -4.605 -1.809 -1.395 1.00 0.00 C ATOM 270 O TYR A 19 -5.595 -1.682 -2.120 1.00 0.00 O ATOM 271 CB TYR A 19 -3.554 0.486 -1.934 1.00 0.00 C ATOM 272 CG TYR A 19 -3.988 1.910 -1.618 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.782 2.460 -0.336 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.622 2.688 -2.610 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.254 3.748 -0.021 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.068 3.991 -2.314 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.908 4.515 -1.012 1.00 0.00 C ATOM 278 OH TYR A 19 -5.387 5.753 -0.717 1.00 0.00 O ATOM 0 H TYR A 19 -1.879 -0.953 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.662 -0.117 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.476 0.473 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.017 0.176 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.256 1.886 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.766 2.283 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.117 4.148 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.533 4.590 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.806 6.140 -1.514 1.00 0.00 H new ATOM 288 N CYS A 20 -4.145 -3.019 -1.047 1.00 0.00 N ATOM 289 CA CYS A 20 -4.888 -4.256 -1.342 1.00 0.00 C ATOM 290 C CYS A 20 -6.191 -4.375 -0.528 1.00 0.00 C ATOM 291 O CYS A 20 -6.352 -3.751 0.526 1.00 0.00 O ATOM 292 CB CYS A 20 -4.006 -5.496 -1.124 1.00 0.00 C ATOM 293 SG CYS A 20 -2.517 -5.596 -2.145 1.00 0.00 S ATOM 0 H CYS A 20 -3.261 -3.169 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.169 -4.203 -2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.707 -5.526 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.610 -6.384 -1.309 1.00 0.00 H new ATOM 298 N ASN A 21 -7.117 -5.207 -1.019 1.00 0.00 N ATOM 299 CA ASN A 21 -8.432 -5.508 -0.436 1.00 0.00 C ATOM 300 C ASN A 21 -8.641 -7.032 -0.333 1.00 0.00 C ATOM 301 O ASN A 21 -9.041 -7.657 -1.343 1.00 0.00 O ATOM 302 CB ASN A 21 -9.501 -4.781 -1.291 1.00 0.00 C ATOM 303 CG ASN A 21 -10.937 -5.002 -0.826 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.607 -4.108 -0.329 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.458 -6.195 -0.987 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.416 -7.582 0.768 1.00 0.00 O ATOM 0 H ASN A 21 -6.960 -5.720 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.513 -5.143 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.290 -3.712 -1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.411 -5.116 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.420 -6.375 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.902 -6.943 -1.401 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.366 -0.825 -6.207 1.00 0.00 N ATOM 315 CA PHE B 1 15.343 -1.844 -5.125 1.00 0.00 C ATOM 316 C PHE B 1 14.048 -2.673 -5.180 1.00 0.00 C ATOM 317 O PHE B 1 14.045 -3.723 -5.820 1.00 0.00 O ATOM 318 CB PHE B 1 15.646 -1.212 -3.746 1.00 0.00 C ATOM 319 CG PHE B 1 15.603 -2.173 -2.564 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.423 -3.318 -2.550 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.746 -1.920 -1.471 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.371 -4.210 -1.465 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.689 -2.821 -0.392 1.00 0.00 C ATOM 324 CZ PHE B 1 15.502 -3.967 -0.389 1.00 0.00 C ATOM 0 H1 PHE B 1 16.284 -0.335 -6.203 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.226 -1.291 -7.126 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.604 -0.134 -6.050 1.00 0.00 H new ATOM 0 HA PHE B 1 16.152 -2.556 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE B 1 16.634 -0.754 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.930 -0.410 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE B 1 17.093 -3.511 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE B 1 14.132 -1.032 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.002 -5.086 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.020 -2.632 0.434 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.459 -4.659 0.439 1.00 0.00 H new ATOM 336 N VAL B 2 12.943 -2.224 -4.564 1.00 0.00 N ATOM 337 CA VAL B 2 11.603 -2.877 -4.566 1.00 0.00 C ATOM 338 C VAL B 2 10.531 -1.781 -4.740 1.00 0.00 C ATOM 339 O VAL B 2 9.562 -1.652 -3.992 1.00 0.00 O ATOM 340 CB VAL B 2 11.369 -3.739 -3.298 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.115 -4.629 -3.406 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.539 -4.685 -2.972 1.00 0.00 C ATOM 0 H VAL B 2 12.948 -1.359 -4.024 1.00 0.00 H new ATOM 0 HA VAL B 2 11.540 -3.577 -5.400 1.00 0.00 H new ATOM 0 HB VAL B 2 11.255 -2.996 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.001 -5.210 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.235 -4.002 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.221 -5.306 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.306 -5.256 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.697 -5.369 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.444 -4.101 -2.806 1.00 0.00 H new ATOM 352 N ASN B 3 10.799 -0.902 -5.705 1.00 0.00 N ATOM 353 CA ASN B 3 10.215 0.437 -5.833 1.00 0.00 C ATOM 354 C ASN B 3 10.407 1.050 -7.235 1.00 0.00 C ATOM 355 O ASN B 3 11.432 0.827 -7.885 1.00 0.00 O ATOM 356 CB ASN B 3 10.761 1.356 -4.720 1.00 0.00 C ATOM 357 CG ASN B 3 12.278 1.568 -4.711 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.071 0.715 -5.097 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.734 2.705 -4.224 1.00 0.00 N ATOM 0 H ASN B 3 11.459 -1.111 -6.454 1.00 0.00 H new ATOM 0 HA ASN B 3 9.137 0.339 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.278 2.329 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.466 0.941 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.739 2.870 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.082 3.420 -3.901 1.00 0.00 H new ATOM 366 N GLN B 4 9.409 1.806 -7.706 1.00 0.00 N ATOM 367 CA GLN B 4 9.290 2.300 -9.087 1.00 0.00 C ATOM 368 C GLN B 4 8.470 3.603 -9.165 1.00 0.00 C ATOM 369 O GLN B 4 7.733 3.955 -8.243 1.00 0.00 O ATOM 370 CB GLN B 4 8.602 1.230 -9.971 1.00 0.00 C ATOM 371 CG GLN B 4 9.435 -0.025 -10.299 1.00 0.00 C ATOM 372 CD GLN B 4 10.706 0.253 -11.118 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.964 1.350 -11.602 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.554 -0.739 -11.314 1.00 0.00 N ATOM 0 H GLN B 4 8.632 2.103 -7.116 1.00 0.00 H new ATOM 0 HA GLN B 4 10.299 2.504 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.686 0.912 -9.472 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.307 1.700 -10.909 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.718 -0.513 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.809 -0.728 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.361 -1.660 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.403 -0.584 -11.858 1.00 0.00 H new ATOM 383 N HIS B 5 8.562 4.307 -10.297 1.00 0.00 N ATOM 384 CA HIS B 5 7.546 5.277 -10.724 1.00 0.00 C ATOM 385 C HIS B 5 6.407 4.534 -11.450 1.00 0.00 C ATOM 386 O HIS B 5 6.669 3.697 -12.324 1.00 0.00 O ATOM 387 CB HIS B 5 8.168 6.309 -11.677 1.00 0.00 C ATOM 388 CG HIS B 5 9.227 7.182 -11.058 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.015 8.192 -10.153 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.566 7.173 -11.347 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.193 8.785 -9.902 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.178 8.194 -10.606 1.00 0.00 N ATOM 0 H HIS B 5 9.345 4.221 -10.946 1.00 0.00 H new ATOM 0 HA HIS B 5 7.154 5.793 -9.847 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.602 5.782 -12.527 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.375 6.946 -12.068 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.117 8.448 -9.742 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.064 6.497 -12.027 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.332 9.619 -9.230 1.00 0.00 H new ATOM 400 N LEU B 6 5.149 4.832 -11.109 1.00 0.00 N ATOM 401 CA LEU B 6 3.963 4.092 -11.553 1.00 0.00 C ATOM 402 C LEU B 6 2.755 5.033 -11.624 1.00 0.00 C ATOM 403 O LEU B 6 2.502 5.800 -10.697 1.00 0.00 O ATOM 404 CB LEU B 6 3.665 2.951 -10.557 1.00 0.00 C ATOM 405 CG LEU B 6 4.657 1.770 -10.543 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.341 0.876 -9.339 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.589 0.943 -11.836 1.00 0.00 C ATOM 0 H LEU B 6 4.921 5.617 -10.499 1.00 0.00 H new ATOM 0 HA LEU B 6 4.152 3.676 -12.542 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.627 3.376 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.672 2.559 -10.775 1.00 0.00 H new ATOM 0 HG LEU B 6 5.667 2.172 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.036 0.036 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.441 1.454 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.321 0.501 -9.422 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.305 0.123 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.584 0.540 -11.958 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.831 1.579 -12.688 1.00 0.00 H new ATOM 419 N CYS B 7 1.970 4.957 -12.699 1.00 0.00 N ATOM 420 CA CYS B 7 0.785 5.802 -12.889 1.00 0.00 C ATOM 421 C CYS B 7 -0.248 5.139 -13.809 1.00 0.00 C ATOM 422 O CYS B 7 0.095 4.272 -14.619 1.00 0.00 O ATOM 423 CB CYS B 7 1.235 7.174 -13.409 1.00 0.00 C ATOM 424 SG CYS B 7 0.118 8.546 -13.037 1.00 0.00 S ATOM 0 H CYS B 7 2.137 4.306 -13.467 1.00 0.00 H new ATOM 0 HA CYS B 7 0.280 5.937 -11.932 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.215 7.400 -12.988 1.00 0.00 H new ATOM 0 HB3 CYS B 7 1.360 7.111 -14.490 1.00 0.00 H new ATOM 429 N GLY B 8 -1.513 5.537 -13.659 1.00 0.00 N ATOM 430 CA GLY B 8 -2.641 5.086 -14.487 1.00 0.00 C ATOM 431 C GLY B 8 -2.766 3.565 -14.572 1.00 0.00 C ATOM 432 O GLY B 8 -2.742 2.857 -13.566 1.00 0.00 O ATOM 0 H GLY B 8 -1.792 6.202 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.566 5.496 -14.081 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.527 5.490 -15.493 1.00 0.00 H new ATOM 436 N SER B 9 -2.872 3.058 -15.799 1.00 0.00 N ATOM 437 CA SER B 9 -2.974 1.627 -16.114 1.00 0.00 C ATOM 438 C SER B 9 -1.800 0.804 -15.562 1.00 0.00 C ATOM 439 O SER B 9 -2.017 -0.299 -15.069 1.00 0.00 O ATOM 440 CB SER B 9 -3.083 1.449 -17.637 1.00 0.00 C ATOM 441 OG SER B 9 -2.045 2.138 -18.328 1.00 0.00 O ATOM 0 H SER B 9 -2.890 3.648 -16.631 1.00 0.00 H new ATOM 0 HA SER B 9 -3.871 1.248 -15.624 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.040 0.388 -17.882 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.051 1.816 -17.977 1.00 0.00 H new ATOM 0 HG SER B 9 -2.147 2.000 -19.293 1.00 0.00 H new ATOM 447 N HIS B 10 -0.571 1.331 -15.551 1.00 0.00 N ATOM 448 CA HIS B 10 0.584 0.626 -14.984 1.00 0.00 C ATOM 449 C HIS B 10 0.574 0.592 -13.443 1.00 0.00 C ATOM 450 O HIS B 10 1.039 -0.385 -12.856 1.00 0.00 O ATOM 451 CB HIS B 10 1.881 1.224 -15.547 1.00 0.00 C ATOM 452 CG HIS B 10 2.110 0.868 -16.997 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.173 -0.403 -17.528 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.307 1.745 -18.030 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.393 -0.289 -18.847 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.490 1.006 -19.207 1.00 0.00 N ATOM 0 H HIS B 10 -0.350 2.251 -15.932 1.00 0.00 H new ATOM 0 HA HIS B 10 0.521 -0.419 -15.288 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.850 2.309 -15.445 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.725 0.872 -14.954 1.00 0.00 H new ATOM 0 HD1 HIS B 10 2.071 -1.276 -17.010 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.319 2.822 -17.951 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.480 -1.123 -19.528 1.00 0.00 H new ATOM 464 N LEU B 11 -0.007 1.596 -12.771 1.00 0.00 N ATOM 465 CA LEU B 11 -0.242 1.538 -11.324 1.00 0.00 C ATOM 466 C LEU B 11 -1.365 0.544 -10.994 1.00 0.00 C ATOM 467 O LEU B 11 -1.206 -0.267 -10.086 1.00 0.00 O ATOM 468 CB LEU B 11 -0.509 2.960 -10.799 1.00 0.00 C ATOM 469 CG LEU B 11 -0.726 3.070 -9.277 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.410 2.457 -8.448 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.848 4.553 -8.904 1.00 0.00 C ATOM 0 H LEU B 11 -0.323 2.461 -13.210 1.00 0.00 H new ATOM 0 HA LEU B 11 0.644 1.162 -10.812 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.332 3.596 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.389 3.357 -11.305 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.632 2.510 -9.047 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.189 2.571 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.504 1.398 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.346 2.966 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.002 4.646 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.066 5.076 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.695 4.992 -9.431 1.00 0.00 H new ATOM 483 N VAL B 12 -2.451 0.537 -11.771 1.00 0.00 N ATOM 484 CA VAL B 12 -3.532 -0.470 -11.675 1.00 0.00 C ATOM 485 C VAL B 12 -2.997 -1.898 -11.904 1.00 0.00 C ATOM 486 O VAL B 12 -3.363 -2.816 -11.170 1.00 0.00 O ATOM 487 CB VAL B 12 -4.687 -0.124 -12.649 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.718 -1.249 -12.822 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.433 1.132 -12.167 1.00 0.00 C ATOM 0 H VAL B 12 -2.614 1.236 -12.496 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.932 -0.443 -10.661 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.208 0.038 -13.615 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.493 -0.928 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.224 -2.138 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.170 -1.480 -11.857 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.242 1.363 -12.860 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.846 0.951 -11.175 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.740 1.972 -12.124 1.00 0.00 H new ATOM 499 N GLU B 13 -2.100 -2.079 -12.878 1.00 0.00 N ATOM 500 CA GLU B 13 -1.398 -3.335 -13.172 1.00 0.00 C ATOM 501 C GLU B 13 -0.491 -3.767 -12.009 1.00 0.00 C ATOM 502 O GLU B 13 -0.540 -4.919 -11.584 1.00 0.00 O ATOM 503 CB GLU B 13 -0.580 -3.122 -14.454 1.00 0.00 C ATOM 504 CG GLU B 13 0.243 -4.323 -14.931 1.00 0.00 C ATOM 505 CD GLU B 13 0.938 -4.001 -16.267 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.637 -2.962 -16.365 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.792 -4.791 -17.231 1.00 0.00 O ATOM 0 H GLU B 13 -1.831 -1.325 -13.510 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.123 -4.137 -13.309 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.262 -2.834 -15.253 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.097 -2.283 -14.295 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.988 -4.583 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.405 -5.191 -15.051 1.00 0.00 H new ATOM 514 N ALA B 14 0.312 -2.852 -11.465 1.00 0.00 N ATOM 515 CA ALA B 14 1.207 -3.142 -10.341 1.00 0.00 C ATOM 516 C ALA B 14 0.423 -3.550 -9.084 1.00 0.00 C ATOM 517 O ALA B 14 0.765 -4.545 -8.441 1.00 0.00 O ATOM 518 CB ALA B 14 2.103 -1.925 -10.093 1.00 0.00 C ATOM 0 H ALA B 14 0.361 -1.887 -11.791 1.00 0.00 H new ATOM 0 HA ALA B 14 1.836 -3.996 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.773 -2.131 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.691 -1.717 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.484 -1.060 -9.857 1.00 0.00 H new ATOM 524 N LEU B 15 -0.667 -2.839 -8.766 1.00 0.00 N ATOM 525 CA LEU B 15 -1.598 -3.213 -7.698 1.00 0.00 C ATOM 526 C LEU B 15 -2.158 -4.621 -7.916 1.00 0.00 C ATOM 527 O LEU B 15 -2.010 -5.471 -7.044 1.00 0.00 O ATOM 528 CB LEU B 15 -2.731 -2.174 -7.625 1.00 0.00 C ATOM 529 CG LEU B 15 -2.302 -0.834 -7.000 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.324 0.242 -7.373 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.206 -0.943 -5.469 1.00 0.00 C ATOM 0 H LEU B 15 -0.928 -1.979 -9.249 1.00 0.00 H new ATOM 0 HA LEU B 15 -1.061 -3.225 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.110 -1.991 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.555 -2.588 -7.044 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.317 -0.569 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.027 1.194 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.369 0.341 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.306 -0.042 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.901 0.018 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.178 -1.222 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.471 -1.702 -5.204 1.00 0.00 H new ATOM 543 N TYR B 16 -2.712 -4.914 -9.096 1.00 0.00 N ATOM 544 CA TYR B 16 -3.204 -6.253 -9.445 1.00 0.00 C ATOM 545 C TYR B 16 -2.144 -7.353 -9.234 1.00 0.00 C ATOM 546 O TYR B 16 -2.455 -8.419 -8.695 1.00 0.00 O ATOM 547 CB TYR B 16 -3.708 -6.237 -10.896 1.00 0.00 C ATOM 548 CG TYR B 16 -4.082 -7.608 -11.433 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.270 -8.238 -11.005 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.225 -8.269 -12.334 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.597 -9.524 -11.479 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.545 -9.555 -12.809 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.731 -10.191 -12.375 1.00 0.00 C ATOM 554 OH TYR B 16 -5.038 -11.440 -12.828 1.00 0.00 O ATOM 0 H TYR B 16 -2.833 -4.227 -9.840 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.024 -6.500 -8.771 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.577 -5.583 -10.961 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.936 -5.806 -11.534 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.929 -7.734 -10.314 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.317 -7.786 -12.663 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.511 -10.001 -11.157 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.886 -10.055 -13.503 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.335 -11.749 -13.437 1.00 0.00 H new ATOM 564 N LEU B 17 -0.886 -7.090 -9.602 1.00 0.00 N ATOM 565 CA LEU B 17 0.232 -8.031 -9.465 1.00 0.00 C ATOM 566 C LEU B 17 0.738 -8.176 -8.022 1.00 0.00 C ATOM 567 O LEU B 17 1.085 -9.284 -7.615 1.00 0.00 O ATOM 568 CB LEU B 17 1.369 -7.610 -10.416 1.00 0.00 C ATOM 569 CG LEU B 17 1.060 -7.787 -11.919 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.160 -7.112 -12.745 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.950 -9.268 -12.322 1.00 0.00 C ATOM 0 H LEU B 17 -0.610 -6.198 -10.012 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.136 -9.019 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.609 -6.563 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.260 -8.189 -10.173 1.00 0.00 H new ATOM 0 HG LEU B 17 0.094 -7.322 -12.115 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.945 -7.235 -13.807 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.197 -6.050 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.122 -7.570 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.732 -9.340 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.892 -9.774 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.148 -9.741 -11.755 1.00 0.00 H new ATOM 583 N VAL B 18 0.751 -7.099 -7.240 1.00 0.00 N ATOM 584 CA VAL B 18 1.135 -7.112 -5.811 1.00 0.00 C ATOM 585 C VAL B 18 0.057 -7.807 -4.968 1.00 0.00 C ATOM 586 O VAL B 18 0.371 -8.582 -4.061 1.00 0.00 O ATOM 587 CB VAL B 18 1.397 -5.678 -5.285 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.454 -5.569 -3.752 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.737 -5.163 -5.834 1.00 0.00 C ATOM 0 H VAL B 18 0.492 -6.172 -7.577 1.00 0.00 H new ATOM 0 HA VAL B 18 2.064 -7.676 -5.721 1.00 0.00 H new ATOM 0 HB VAL B 18 0.550 -5.084 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.641 -4.533 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.504 -5.896 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.257 -6.200 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.919 -4.154 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.542 -5.821 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.702 -5.148 -6.923 1.00 0.00 H new ATOM 599 N CYS B 19 -1.214 -7.537 -5.266 1.00 0.00 N ATOM 600 CA CYS B 19 -2.354 -8.035 -4.497 1.00 0.00 C ATOM 601 C CYS B 19 -2.726 -9.473 -4.876 1.00 0.00 C ATOM 602 O CYS B 19 -3.008 -10.272 -3.980 1.00 0.00 O ATOM 603 CB CYS B 19 -3.519 -7.046 -4.649 1.00 0.00 C ATOM 604 SG CYS B 19 -3.139 -5.364 -4.069 1.00 0.00 S ATOM 0 H CYS B 19 -1.484 -6.957 -6.061 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.086 -8.091 -3.442 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.810 -7.001 -5.699 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.379 -7.425 -4.096 1.00 0.00 H new ATOM 609 N GLY B 20 -2.663 -9.843 -6.160 1.00 0.00 N ATOM 610 CA GLY B 20 -2.829 -11.225 -6.638 1.00 0.00 C ATOM 611 C GLY B 20 -4.213 -11.798 -6.327 1.00 0.00 C ATOM 612 O GLY B 20 -5.183 -11.510 -7.028 1.00 0.00 O ATOM 0 H GLY B 20 -2.492 -9.178 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.662 -11.255 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.068 -11.857 -6.180 1.00 0.00 H new ATOM 616 N GLU B 21 -4.295 -12.614 -5.270 1.00 0.00 N ATOM 617 CA GLU B 21 -5.544 -13.170 -4.735 1.00 0.00 C ATOM 618 C GLU B 21 -6.426 -12.096 -4.057 1.00 0.00 C ATOM 619 O GLU B 21 -7.655 -12.188 -4.101 1.00 0.00 O ATOM 620 CB GLU B 21 -5.187 -14.296 -3.749 1.00 0.00 C ATOM 621 CG GLU B 21 -6.400 -15.104 -3.277 1.00 0.00 C ATOM 622 CD GLU B 21 -5.969 -16.300 -2.413 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.773 -16.125 -1.189 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.826 -17.425 -2.950 1.00 0.00 O ATOM 0 H GLU B 21 -3.472 -12.914 -4.748 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.136 -13.565 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.474 -14.970 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.689 -13.864 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.068 -14.461 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.962 -15.460 -4.141 1.00 0.00 H new ATOM 631 N ARG B 22 -5.808 -11.064 -3.460 1.00 0.00 N ATOM 632 CA ARG B 22 -6.499 -9.871 -2.958 1.00 0.00 C ATOM 633 C ARG B 22 -6.902 -8.950 -4.128 1.00 0.00 C ATOM 634 O ARG B 22 -6.223 -8.918 -5.162 1.00 0.00 O ATOM 635 CB ARG B 22 -5.621 -9.081 -1.961 1.00 0.00 C ATOM 636 CG ARG B 22 -5.311 -9.762 -0.614 1.00 0.00 C ATOM 637 CD ARG B 22 -4.220 -10.846 -0.624 1.00 0.00 C ATOM 638 NE ARG B 22 -2.930 -10.367 -1.165 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.932 -9.792 -0.508 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.993 -9.521 0.777 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.826 -9.469 -1.139 1.00 0.00 N ATOM 0 H ARG B 22 -4.799 -11.037 -3.312 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.393 -10.210 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.675 -8.851 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.113 -8.130 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.018 -8.991 0.098 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.232 -10.209 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.068 -11.209 0.392 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.564 -11.693 -1.217 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.791 -10.495 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.832 -9.754 1.308 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.201 -9.078 1.243 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.734 -9.660 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.060 -9.027 -0.631 1.00 0.00 H new ATOM 655 N GLY B 23 -7.953 -8.144 -3.942 1.00 0.00 N ATOM 656 CA GLY B 23 -8.277 -7.000 -4.809 1.00 0.00 C ATOM 657 C GLY B 23 -7.441 -5.771 -4.442 1.00 0.00 C ATOM 658 O GLY B 23 -6.466 -5.879 -3.698 1.00 0.00 O ATOM 0 H GLY B 23 -8.613 -8.268 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.097 -7.267 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.337 -6.762 -4.720 1.00 0.00 H new ATOM 662 N PHE B 24 -7.836 -4.590 -4.925 1.00 0.00 N ATOM 663 CA PHE B 24 -7.172 -3.314 -4.630 1.00 0.00 C ATOM 664 C PHE B 24 -8.102 -2.094 -4.758 1.00 0.00 C ATOM 665 O PHE B 24 -9.113 -2.130 -5.463 1.00 0.00 O ATOM 666 CB PHE B 24 -5.931 -3.171 -5.526 1.00 0.00 C ATOM 667 CG PHE B 24 -6.215 -3.228 -7.014 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.539 -2.055 -7.719 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.176 -4.464 -7.690 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.835 -2.116 -9.092 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.481 -4.524 -9.059 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.809 -3.353 -9.760 1.00 0.00 C ATOM 0 H PHE B 24 -8.641 -4.490 -5.544 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.871 -3.334 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.443 -2.223 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.224 -3.962 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.560 -1.106 -7.205 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.912 -5.364 -7.155 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.082 -1.214 -9.633 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.463 -5.473 -9.574 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.042 -3.402 -10.814 1.00 0.00 H new ATOM 682 N PHE B 25 -7.739 -1.007 -4.071 1.00 0.00 N ATOM 683 CA PHE B 25 -8.517 0.235 -3.984 1.00 0.00 C ATOM 684 C PHE B 25 -8.157 1.269 -5.069 1.00 0.00 C ATOM 685 O PHE B 25 -9.046 1.919 -5.616 1.00 0.00 O ATOM 686 CB PHE B 25 -8.306 0.809 -2.576 1.00 0.00 C ATOM 687 CG PHE B 25 -9.195 1.992 -2.239 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.509 1.778 -1.785 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.708 3.307 -2.353 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.331 2.873 -1.458 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.524 4.401 -2.017 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.841 4.185 -1.574 1.00 0.00 C ATOM 0 H PHE B 25 -6.868 -0.965 -3.543 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.567 0.003 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.481 0.019 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.264 1.113 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.888 0.771 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.700 3.477 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.342 2.704 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.140 5.407 -2.099 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.473 5.024 -1.324 1.00 0.00 H new ATOM 702 N TYR B 26 -6.861 1.420 -5.377 1.00 0.00 N ATOM 703 CA TYR B 26 -6.251 2.320 -6.384 1.00 0.00 C ATOM 704 C TYR B 26 -6.408 3.837 -6.131 1.00 0.00 C ATOM 705 O TYR B 26 -5.392 4.537 -6.080 1.00 0.00 O ATOM 706 CB TYR B 26 -6.706 1.937 -7.811 1.00 0.00 C ATOM 707 CG TYR B 26 -6.328 2.948 -8.885 1.00 0.00 C ATOM 708 CD1 TYR B 26 -4.975 3.162 -9.219 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.331 3.709 -9.516 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.628 4.130 -10.183 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.991 4.687 -10.469 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.635 4.904 -10.803 1.00 0.00 C ATOM 713 OH TYR B 26 -5.302 5.851 -11.727 1.00 0.00 O ATOM 0 H TYR B 26 -6.149 0.874 -4.892 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.179 2.152 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.273 0.971 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.789 1.812 -7.812 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.203 2.583 -8.735 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.368 3.541 -9.267 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.592 4.280 -10.448 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.765 5.271 -10.944 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.115 6.289 -12.054 1.00 0.00 H new ATOM 723 N THR B 27 -7.642 4.353 -6.056 1.00 0.00 N ATOM 724 CA THR B 27 -7.978 5.775 -6.279 1.00 0.00 C ATOM 725 C THR B 27 -7.335 6.741 -5.268 1.00 0.00 C ATOM 726 O THR B 27 -7.159 6.363 -4.107 1.00 0.00 O ATOM 727 CB THR B 27 -9.500 5.985 -6.324 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.115 5.373 -5.212 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.110 5.377 -7.589 1.00 0.00 C ATOM 0 H THR B 27 -8.458 3.783 -5.833 1.00 0.00 H new ATOM 0 HA THR B 27 -7.548 6.022 -7.250 1.00 0.00 H new ATOM 0 HB THR B 27 -9.673 7.061 -6.314 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.468 5.301 -4.479 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.187 5.543 -7.589 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.670 5.848 -8.468 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.908 4.306 -7.612 1.00 0.00 H new ATOM 737 N PRO B 28 -7.001 7.986 -5.682 1.00 0.00 N ATOM 738 CA PRO B 28 -6.399 9.009 -4.822 1.00 0.00 C ATOM 739 C PRO B 28 -7.415 9.596 -3.828 1.00 0.00 C ATOM 740 O PRO B 28 -8.595 9.240 -3.830 1.00 0.00 O ATOM 741 CB PRO B 28 -5.866 10.077 -5.789 1.00 0.00 C ATOM 742 CG PRO B 28 -6.860 10.012 -6.944 1.00 0.00 C ATOM 743 CD PRO B 28 -7.174 8.521 -7.031 1.00 0.00 C ATOM 0 HA PRO B 28 -5.607 8.594 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.844 11.065 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.850 9.856 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.754 10.603 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.429 10.390 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.191 8.358 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.507 8.024 -7.735 1.00 0.00 H new ATOM 751 N LYS B 29 -6.958 10.524 -2.977 1.00 0.00 N ATOM 752 CA LYS B 29 -7.775 11.125 -1.908 1.00 0.00 C ATOM 753 C LYS B 29 -8.986 11.963 -2.383 1.00 0.00 C ATOM 754 O LYS B 29 -9.884 12.241 -1.580 1.00 0.00 O ATOM 755 CB LYS B 29 -6.852 11.942 -0.982 1.00 0.00 C ATOM 756 CG LYS B 29 -6.310 13.231 -1.635 1.00 0.00 C ATOM 757 CD LYS B 29 -5.320 13.935 -0.700 1.00 0.00 C ATOM 758 CE LYS B 29 -4.831 15.241 -1.341 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.888 15.966 -0.448 1.00 0.00 N ATOM 0 H LYS B 29 -6.004 10.883 -3.009 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.237 10.297 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.399 12.205 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.012 11.318 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.819 12.989 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.137 13.902 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.798 14.146 0.257 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -4.472 13.281 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -4.340 15.021 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.685 15.880 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -3.577 16.844 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.365 16.197 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.062 15.365 -0.254 1.00 0.00 H new ATOM 773 N THR B 30 -9.018 12.370 -3.658 1.00 0.00 N ATOM 774 CA THR B 30 -10.045 13.236 -4.282 1.00 0.00 C ATOM 775 C THR B 30 -10.006 13.171 -5.816 1.00 0.00 C ATOM 776 O THR B 30 -8.896 13.206 -6.394 1.00 0.00 O ATOM 777 CB THR B 30 -9.959 14.679 -3.746 1.00 0.00 C ATOM 778 OG1 THR B 30 -11.096 15.403 -4.167 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.703 15.452 -4.166 1.00 0.00 C ATOM 780 OXT THR B 30 -11.086 13.017 -6.435 1.00 0.00 O ATOM 0 H THR B 30 -8.295 12.094 -4.322 1.00 0.00 H new ATOM 0 HA THR B 30 -11.021 12.847 -3.992 1.00 0.00 H new ATOM 0 HB THR B 30 -9.910 14.584 -2.661 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.044 16.320 -3.826 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.734 16.455 -3.741 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.817 14.931 -3.803 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.664 15.520 -5.253 1.00 0.00 H new TER 788 THR B 30