USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Set 1.1: B 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 28 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -158:sc= -2.8! (180deg=-3.65!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 82:sc= 1.11 USER MOD Single : A 9 SER OG : rot -17:sc= -5.84! USER MOD Single : A 12 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -3.02! C(o=-3!,f=-9.7!) USER MOD Single : A 18 ASN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 21 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0141 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.037 K(o=-0.037,f=-4.1!) USER MOD Single : B 4 GLN : amide:sc= -6.15! C(o=-6.2!,f=-12!) USER MOD Single : B 5 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.65) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0575 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.626 7.989 1.908 1.00 0.00 N ATOM 2 CA GLY A 1 -7.209 6.550 2.209 1.00 0.00 C ATOM 3 C GLY A 1 -5.873 6.067 1.757 1.00 0.00 C ATOM 4 O GLY A 1 -4.944 6.835 1.604 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.369 8.282 2.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.803 8.617 2.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.991 8.049 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.258 6.414 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.960 5.893 1.771 1.00 0.00 H new ATOM 10 N ILE A 2 -5.738 4.790 1.531 1.00 0.00 N ATOM 11 CA ILE A 2 -4.426 4.250 1.078 1.00 0.00 C ATOM 12 C ILE A 2 -4.155 4.708 -0.354 1.00 0.00 C ATOM 13 O ILE A 2 -3.025 4.763 -0.795 1.00 0.00 O ATOM 14 CB ILE A 2 -4.453 2.723 1.143 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.032 2.172 0.938 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.396 2.174 0.069 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.701 2.071 -0.556 1.00 0.00 C ATOM 0 H ILE A 2 -6.479 4.097 1.640 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.633 4.620 1.728 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.816 2.408 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.310 2.821 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.947 1.189 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.411 1.085 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.402 2.559 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.047 2.486 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.691 1.679 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.412 1.402 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.764 3.060 -1.010 1.00 0.00 H new ATOM 29 N VAL A 3 -5.184 5.038 -1.085 1.00 0.00 N ATOM 30 CA VAL A 3 -4.987 5.494 -2.490 1.00 0.00 C ATOM 31 C VAL A 3 -4.815 7.014 -2.518 1.00 0.00 C ATOM 32 O VAL A 3 -4.120 7.553 -3.355 1.00 0.00 O ATOM 33 CB VAL A 3 -6.203 5.099 -3.329 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.084 5.713 -4.725 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.264 3.574 -3.447 1.00 0.00 C ATOM 0 H VAL A 3 -6.154 5.012 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.094 5.024 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.110 5.465 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.951 5.431 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.038 6.799 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.177 5.348 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.130 3.290 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.356 3.210 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.349 3.135 -2.453 1.00 0.00 H new ATOM 45 N GLU A 4 -5.442 7.714 -1.613 1.00 0.00 N ATOM 46 CA GLU A 4 -5.307 9.198 -1.597 1.00 0.00 C ATOM 47 C GLU A 4 -3.836 9.571 -1.391 1.00 0.00 C ATOM 48 O GLU A 4 -3.231 10.233 -2.209 1.00 0.00 O ATOM 49 CB GLU A 4 -6.150 9.778 -0.459 1.00 0.00 C ATOM 50 CG GLU A 4 -7.387 10.467 -1.040 1.00 0.00 C ATOM 51 CD GLU A 4 -8.649 9.811 -0.474 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.960 8.710 -0.898 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.280 10.421 0.373 1.00 0.00 O ATOM 0 H GLU A 4 -6.041 7.324 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.656 9.606 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.450 8.985 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.561 10.491 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.374 11.529 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.381 10.392 -2.127 1.00 0.00 H new ATOM 60 N GLN A 5 -3.255 9.147 -0.303 1.00 0.00 N ATOM 61 CA GLN A 5 -1.828 9.466 -0.037 1.00 0.00 C ATOM 62 C GLN A 5 -0.948 8.729 -1.051 1.00 0.00 C ATOM 63 O GLN A 5 0.218 9.031 -1.216 1.00 0.00 O ATOM 64 CB GLN A 5 -1.488 9.009 1.389 1.00 0.00 C ATOM 65 CG GLN A 5 0.020 8.804 1.532 1.00 0.00 C ATOM 66 CD GLN A 5 0.363 8.540 2.998 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.518 9.462 3.774 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.491 7.310 3.414 1.00 0.00 N ATOM 0 H GLN A 5 -3.713 8.589 0.418 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.651 10.537 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.831 9.752 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.012 8.080 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.344 7.966 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.553 9.686 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.361 6.535 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.721 7.123 4.390 1.00 0.00 H new ATOM 77 N CYS A 6 -1.499 7.764 -1.726 1.00 0.00 N ATOM 78 CA CYS A 6 -0.703 7.002 -2.725 1.00 0.00 C ATOM 79 C CYS A 6 -0.852 7.660 -4.091 1.00 0.00 C ATOM 80 O CYS A 6 0.109 8.110 -4.685 1.00 0.00 O ATOM 81 CB CYS A 6 -1.224 5.563 -2.803 1.00 0.00 C ATOM 82 SG CYS A 6 -0.361 4.490 -1.616 1.00 0.00 S ATOM 0 H CYS A 6 -2.470 7.468 -1.629 1.00 0.00 H new ATOM 0 HA CYS A 6 0.346 6.996 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.295 5.549 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.087 5.177 -3.813 1.00 0.00 H new ATOM 87 N CYS A 7 -2.051 7.708 -4.600 1.00 0.00 N ATOM 88 CA CYS A 7 -2.259 8.328 -5.930 1.00 0.00 C ATOM 89 C CYS A 7 -2.566 9.814 -5.765 1.00 0.00 C ATOM 90 O CYS A 7 -3.654 10.274 -6.053 1.00 0.00 O ATOM 91 CB CYS A 7 -3.420 7.637 -6.648 1.00 0.00 C ATOM 92 SG CYS A 7 -3.525 8.243 -8.350 1.00 0.00 S ATOM 0 H CYS A 7 -2.892 7.345 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.352 8.213 -6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.273 6.557 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.355 7.833 -6.123 1.00 0.00 H new ATOM 97 N THR A 8 -1.614 10.564 -5.300 1.00 0.00 N ATOM 98 CA THR A 8 -1.832 12.019 -5.105 1.00 0.00 C ATOM 99 C THR A 8 -0.686 12.549 -4.243 1.00 0.00 C ATOM 100 O THR A 8 -0.233 13.665 -4.400 1.00 0.00 O ATOM 101 CB THR A 8 -3.198 12.234 -4.424 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.146 12.637 -5.401 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.110 13.309 -3.336 1.00 0.00 C ATOM 0 H THR A 8 -0.685 10.229 -5.044 1.00 0.00 H new ATOM 0 HA THR A 8 -1.843 12.555 -6.054 1.00 0.00 H new ATOM 0 HB THR A 8 -3.504 11.297 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.483 11.848 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.088 13.439 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.388 13.002 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.791 14.252 -3.781 1.00 0.00 H new ATOM 111 N SER A 9 -0.209 11.739 -3.342 1.00 0.00 N ATOM 112 CA SER A 9 0.915 12.165 -2.472 1.00 0.00 C ATOM 113 C SER A 9 1.994 11.072 -2.502 1.00 0.00 C ATOM 114 O SER A 9 2.547 10.782 -3.544 1.00 0.00 O ATOM 115 CB SER A 9 0.388 12.404 -1.050 1.00 0.00 C ATOM 116 OG SER A 9 0.311 11.178 -0.342 1.00 0.00 O ATOM 0 H SER A 9 -0.553 10.794 -3.171 1.00 0.00 H new ATOM 0 HA SER A 9 1.355 13.097 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.045 13.096 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.597 12.870 -1.093 1.00 0.00 H new ATOM 0 HG SER A 9 0.349 10.431 -0.976 1.00 0.00 H new ATOM 122 N ILE A 10 2.303 10.454 -1.394 1.00 0.00 N ATOM 123 CA ILE A 10 3.344 9.388 -1.418 1.00 0.00 C ATOM 124 C ILE A 10 3.096 8.383 -0.292 1.00 0.00 C ATOM 125 O ILE A 10 2.772 8.754 0.820 1.00 0.00 O ATOM 126 CB ILE A 10 4.724 10.010 -1.206 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.100 10.883 -2.405 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.751 8.889 -1.042 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.420 9.992 -3.602 1.00 0.00 C ATOM 0 H ILE A 10 1.884 10.639 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 10 3.298 8.884 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 10 4.708 10.634 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.279 11.557 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.961 11.505 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.740 9.321 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.486 8.276 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.760 8.269 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.688 10.613 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.254 9.336 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.546 9.390 -3.851 1.00 0.00 H new ATOM 141 N CYS A 11 3.281 7.116 -0.555 1.00 0.00 N ATOM 142 CA CYS A 11 3.090 6.107 0.527 1.00 0.00 C ATOM 143 C CYS A 11 4.380 5.301 0.689 1.00 0.00 C ATOM 144 O CYS A 11 5.376 5.568 0.047 1.00 0.00 O ATOM 145 CB CYS A 11 1.929 5.152 0.212 1.00 0.00 C ATOM 146 SG CYS A 11 1.558 5.130 -1.560 1.00 0.00 S ATOM 0 H CYS A 11 3.553 6.739 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 11 2.849 6.635 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.182 4.146 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.043 5.458 0.768 1.00 0.00 H new ATOM 151 N SER A 12 4.376 4.322 1.550 1.00 0.00 N ATOM 152 CA SER A 12 5.606 3.507 1.757 1.00 0.00 C ATOM 153 C SER A 12 5.259 2.025 1.677 1.00 0.00 C ATOM 154 O SER A 12 4.299 1.565 2.263 1.00 0.00 O ATOM 155 CB SER A 12 6.199 3.824 3.130 1.00 0.00 C ATOM 156 OG SER A 12 7.216 2.877 3.434 1.00 0.00 O ATOM 0 H SER A 12 3.574 4.051 2.119 1.00 0.00 H new ATOM 0 HA SER A 12 6.335 3.746 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.612 4.833 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.419 3.794 3.891 1.00 0.00 H new ATOM 0 HG SER A 12 7.599 3.079 4.313 1.00 0.00 H new ATOM 162 N LEU A 13 6.035 1.273 0.948 1.00 0.00 N ATOM 163 CA LEU A 13 5.756 -0.180 0.820 1.00 0.00 C ATOM 164 C LEU A 13 5.408 -0.754 2.193 1.00 0.00 C ATOM 165 O LEU A 13 4.696 -1.733 2.307 1.00 0.00 O ATOM 166 CB LEU A 13 6.992 -0.891 0.265 1.00 0.00 C ATOM 167 CG LEU A 13 8.211 -0.544 1.123 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.176 -1.729 1.142 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.918 0.677 0.532 1.00 0.00 C ATOM 0 H LEU A 13 6.852 1.605 0.435 1.00 0.00 H new ATOM 0 HA LEU A 13 4.917 -0.331 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.833 -1.969 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.164 -0.590 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 13 7.888 -0.322 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.044 -1.482 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.674 -2.601 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.500 -1.951 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.786 0.925 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.241 0.454 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.231 1.523 0.517 1.00 0.00 H new ATOM 181 N TYR A 14 5.901 -0.151 3.239 1.00 0.00 N ATOM 182 CA TYR A 14 5.597 -0.658 4.604 1.00 0.00 C ATOM 183 C TYR A 14 4.084 -0.656 4.812 1.00 0.00 C ATOM 184 O TYR A 14 3.485 -1.670 5.111 1.00 0.00 O ATOM 185 CB TYR A 14 6.258 0.253 5.643 1.00 0.00 C ATOM 186 CG TYR A 14 7.137 -0.564 6.558 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.235 -1.262 6.037 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.858 -0.621 7.931 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.051 -2.019 6.888 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.674 -1.377 8.781 1.00 0.00 C ATOM 191 CZ TYR A 14 8.771 -2.077 8.261 1.00 0.00 C ATOM 192 OH TYR A 14 9.576 -2.821 9.098 1.00 0.00 O ATOM 0 H TYR A 14 6.502 0.672 3.206 1.00 0.00 H new ATOM 0 HA TYR A 14 5.981 -1.672 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.851 1.019 5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.494 0.770 6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.452 -1.216 4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.013 -0.081 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.896 -2.558 6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.458 -1.421 9.838 1.00 0.00 H new ATOM 0 HH TYR A 14 9.243 -2.753 10.017 1.00 0.00 H new ATOM 202 N GLN A 15 3.461 0.477 4.652 1.00 0.00 N ATOM 203 CA GLN A 15 1.975 0.534 4.840 1.00 0.00 C ATOM 204 C GLN A 15 1.314 -0.292 3.736 1.00 0.00 C ATOM 205 O GLN A 15 0.249 -0.850 3.914 1.00 0.00 O ATOM 206 CB GLN A 15 1.444 1.987 4.765 1.00 0.00 C ATOM 207 CG GLN A 15 1.917 2.818 5.974 1.00 0.00 C ATOM 208 CD GLN A 15 3.397 2.551 6.260 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.232 2.702 5.390 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.758 2.160 7.451 1.00 0.00 N ATOM 0 H GLN A 15 3.906 1.360 4.402 1.00 0.00 H new ATOM 0 HA GLN A 15 1.737 0.137 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.787 2.455 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.355 1.977 4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.764 3.879 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.320 2.568 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.057 2.034 8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.742 1.981 7.653 1.00 0.00 H new ATOM 219 N LEU A 16 1.940 -0.373 2.593 1.00 0.00 N ATOM 220 CA LEU A 16 1.355 -1.159 1.477 1.00 0.00 C ATOM 221 C LEU A 16 1.505 -2.653 1.761 1.00 0.00 C ATOM 222 O LEU A 16 0.637 -3.442 1.439 1.00 0.00 O ATOM 223 CB LEU A 16 2.084 -0.813 0.180 1.00 0.00 C ATOM 224 CG LEU A 16 1.113 -0.116 -0.768 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.494 1.095 -0.070 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.863 0.345 -2.019 1.00 0.00 C ATOM 0 H LEU A 16 2.834 0.074 2.387 1.00 0.00 H new ATOM 0 HA LEU A 16 0.297 -0.917 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.936 -0.166 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.477 -1.718 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 16 0.324 -0.812 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.199 1.591 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.042 0.767 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.282 1.791 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.169 0.843 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.653 1.039 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.302 -0.518 -2.519 1.00 0.00 H new ATOM 238 N GLU A 17 2.592 -3.058 2.360 1.00 0.00 N ATOM 239 CA GLU A 17 2.768 -4.507 2.652 1.00 0.00 C ATOM 240 C GLU A 17 1.687 -4.950 3.636 1.00 0.00 C ATOM 241 O GLU A 17 1.417 -6.125 3.793 1.00 0.00 O ATOM 242 CB GLU A 17 4.152 -4.751 3.254 1.00 0.00 C ATOM 243 CG GLU A 17 5.227 -4.355 2.240 1.00 0.00 C ATOM 244 CD GLU A 17 5.857 -5.616 1.646 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.135 -6.380 1.025 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.051 -5.797 1.821 1.00 0.00 O ATOM 0 H GLU A 17 3.358 -2.454 2.657 1.00 0.00 H new ATOM 0 HA GLU A 17 2.681 -5.081 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.269 -4.171 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.262 -5.801 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.789 -3.747 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.991 -3.747 2.723 1.00 0.00 H new ATOM 253 N ASN A 18 1.055 -4.015 4.291 1.00 0.00 N ATOM 254 CA ASN A 18 -0.021 -4.377 5.252 1.00 0.00 C ATOM 255 C ASN A 18 -1.279 -4.759 4.469 1.00 0.00 C ATOM 256 O ASN A 18 -2.250 -5.233 5.024 1.00 0.00 O ATOM 257 CB ASN A 18 -0.324 -3.181 6.157 1.00 0.00 C ATOM 258 CG ASN A 18 0.346 -3.388 7.516 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.271 -3.201 8.545 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.594 -3.770 7.563 1.00 0.00 N ATOM 0 H ASN A 18 1.239 -3.016 4.201 1.00 0.00 H new ATOM 0 HA ASN A 18 0.301 -5.218 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.039 -2.262 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.401 -3.071 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.051 -3.911 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.112 -3.927 6.699 1.00 0.00 H new ATOM 267 N TYR A 19 -1.264 -4.559 3.177 1.00 0.00 N ATOM 268 CA TYR A 19 -2.453 -4.913 2.353 1.00 0.00 C ATOM 269 C TYR A 19 -2.319 -6.358 1.876 1.00 0.00 C ATOM 270 O TYR A 19 -3.255 -6.949 1.376 1.00 0.00 O ATOM 271 CB TYR A 19 -2.533 -3.978 1.145 1.00 0.00 C ATOM 272 CG TYR A 19 -3.356 -2.766 1.509 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.895 -1.875 2.487 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.584 -2.537 0.875 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.661 -0.754 2.831 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.352 -1.417 1.221 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.890 -0.526 2.199 1.00 0.00 C ATOM 278 OH TYR A 19 -5.649 0.572 2.541 1.00 0.00 O ATOM 0 H TYR A 19 -0.479 -4.166 2.659 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.359 -4.808 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.532 -3.674 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.982 -4.496 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.949 -2.053 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.939 -3.223 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.304 -0.066 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.300 -1.241 0.734 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.471 0.581 2.007 1.00 0.00 H new ATOM 288 N CYS A 20 -1.159 -6.934 2.031 1.00 0.00 N ATOM 289 CA CYS A 20 -0.961 -8.342 1.592 1.00 0.00 C ATOM 290 C CYS A 20 -2.106 -9.205 2.131 1.00 0.00 C ATOM 291 O CYS A 20 -2.695 -8.903 3.150 1.00 0.00 O ATOM 292 CB CYS A 20 0.368 -8.863 2.143 1.00 0.00 C ATOM 293 SG CYS A 20 1.454 -9.317 0.771 1.00 0.00 S ATOM 0 H CYS A 20 -0.339 -6.489 2.443 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.948 -8.388 0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.843 -8.099 2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.194 -9.727 2.784 1.00 0.00 H new ATOM 298 N ASN A 21 -2.424 -10.277 1.460 1.00 0.00 N ATOM 299 CA ASN A 21 -3.528 -11.155 1.940 1.00 0.00 C ATOM 300 C ASN A 21 -2.953 -12.507 2.367 1.00 0.00 C ATOM 301 O ASN A 21 -3.385 -13.510 1.824 1.00 0.00 O ATOM 302 CB ASN A 21 -4.544 -11.364 0.813 1.00 0.00 C ATOM 303 CG ASN A 21 -5.258 -10.044 0.513 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.106 -9.487 -0.556 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.038 -9.517 1.418 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.090 -12.516 3.228 1.00 0.00 O ATOM 0 H ASN A 21 -1.968 -10.583 0.601 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.023 -10.685 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.039 -11.728 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.270 -12.124 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.519 -8.638 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.166 -9.984 2.316 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.432 2.066 -1.764 1.00 0.00 N ATOM 315 CA PHE B 1 12.376 2.570 -2.686 1.00 0.00 C ATOM 316 C PHE B 1 12.478 4.096 -2.788 1.00 0.00 C ATOM 317 O PHE B 1 13.344 4.711 -2.201 1.00 0.00 O ATOM 318 CB PHE B 1 10.996 2.173 -2.147 1.00 0.00 C ATOM 319 CG PHE B 1 10.359 1.139 -3.056 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.159 0.266 -3.810 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.962 1.057 -3.147 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.562 -0.683 -4.651 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.368 0.109 -3.988 1.00 0.00 C ATOM 324 CZ PHE B 1 9.166 -0.760 -4.740 1.00 0.00 C ATOM 0 H1 PHE B 1 13.074 1.239 -1.245 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.272 1.793 -2.314 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.689 2.814 -1.088 1.00 0.00 H new ATOM 0 HA PHE B 1 12.512 2.134 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.093 1.771 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.356 3.053 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.235 0.326 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.344 1.726 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.178 -1.355 -5.230 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.292 0.048 -4.057 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.706 -1.490 -5.389 1.00 0.00 H new ATOM 336 N VAL B 2 11.607 4.706 -3.544 1.00 0.00 N ATOM 337 CA VAL B 2 11.651 6.182 -3.709 1.00 0.00 C ATOM 338 C VAL B 2 10.226 6.738 -3.616 1.00 0.00 C ATOM 339 O VAL B 2 9.280 5.980 -3.540 1.00 0.00 O ATOM 340 CB VAL B 2 12.244 6.493 -5.088 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.352 5.907 -6.186 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.333 7.998 -5.276 1.00 0.00 C ATOM 0 H VAL B 2 10.861 4.238 -4.058 1.00 0.00 H new ATOM 0 HA VAL B 2 12.263 6.639 -2.931 1.00 0.00 H new ATOM 0 HB VAL B 2 13.238 6.051 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.781 6.133 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.283 4.826 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.356 6.344 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.755 8.218 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.336 8.433 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.972 8.424 -4.503 1.00 0.00 H new ATOM 352 N ASN B 3 10.064 8.049 -3.615 1.00 0.00 N ATOM 353 CA ASN B 3 8.695 8.655 -3.531 1.00 0.00 C ATOM 354 C ASN B 3 7.692 7.730 -4.218 1.00 0.00 C ATOM 355 O ASN B 3 7.673 7.603 -5.426 1.00 0.00 O ATOM 356 CB ASN B 3 8.693 10.014 -4.234 1.00 0.00 C ATOM 357 CG ASN B 3 9.878 10.848 -3.745 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.537 10.489 -2.790 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.181 11.955 -4.367 1.00 0.00 N ATOM 0 H ASN B 3 10.827 8.723 -3.669 1.00 0.00 H new ATOM 0 HA ASN B 3 8.419 8.787 -2.485 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.754 9.876 -5.314 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.759 10.538 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.971 12.518 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.628 12.257 -5.169 1.00 0.00 H new ATOM 366 N GLN B 4 6.892 7.049 -3.452 1.00 0.00 N ATOM 367 CA GLN B 4 5.930 6.091 -4.051 1.00 0.00 C ATOM 368 C GLN B 4 4.690 6.803 -4.597 1.00 0.00 C ATOM 369 O GLN B 4 3.730 7.032 -3.886 1.00 0.00 O ATOM 370 CB GLN B 4 5.498 5.084 -2.988 1.00 0.00 C ATOM 371 CG GLN B 4 6.248 3.768 -3.194 1.00 0.00 C ATOM 372 CD GLN B 4 7.706 3.945 -2.770 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.608 3.754 -3.563 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.980 4.302 -1.545 1.00 0.00 N ATOM 0 H GLN B 4 6.863 7.115 -2.435 1.00 0.00 H new ATOM 0 HA GLN B 4 6.426 5.587 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.703 5.479 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.423 4.915 -3.048 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.781 2.975 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.196 3.466 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.224 4.462 -0.879 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.950 4.421 -1.253 1.00 0.00 H new ATOM 383 N HIS B 5 4.687 7.103 -5.868 1.00 0.00 N ATOM 384 CA HIS B 5 3.491 7.743 -6.484 1.00 0.00 C ATOM 385 C HIS B 5 2.600 6.614 -6.988 1.00 0.00 C ATOM 386 O HIS B 5 2.584 6.284 -8.157 1.00 0.00 O ATOM 387 CB HIS B 5 3.916 8.633 -7.654 1.00 0.00 C ATOM 388 CG HIS B 5 3.970 10.066 -7.199 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.930 10.636 -6.497 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.936 11.022 -7.349 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.286 11.903 -6.244 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.507 12.185 -6.746 1.00 0.00 N ATOM 0 H HIS B 5 5.463 6.932 -6.507 1.00 0.00 H new ATOM 0 HA HIS B 5 2.965 8.367 -5.761 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.892 8.321 -8.026 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.212 8.528 -8.479 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.880 10.888 -7.856 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.673 12.610 -5.706 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.007 13.072 -6.691 1.00 0.00 H new ATOM 400 N LEU B 6 1.884 6.000 -6.093 1.00 0.00 N ATOM 401 CA LEU B 6 1.011 4.862 -6.468 1.00 0.00 C ATOM 402 C LEU B 6 -0.283 5.383 -7.081 1.00 0.00 C ATOM 403 O LEU B 6 -1.068 6.055 -6.441 1.00 0.00 O ATOM 404 CB LEU B 6 0.694 4.052 -5.204 1.00 0.00 C ATOM 405 CG LEU B 6 1.830 3.076 -4.823 1.00 0.00 C ATOM 406 CD1 LEU B 6 1.294 1.650 -4.889 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.042 3.199 -5.761 1.00 0.00 C ATOM 0 H LEU B 6 1.868 6.243 -5.103 1.00 0.00 H new ATOM 0 HA LEU B 6 1.517 4.232 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.514 4.736 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.227 3.489 -5.359 1.00 0.00 H new ATOM 0 HG LEU B 6 2.164 3.326 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.086 0.951 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.464 1.541 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.948 1.438 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.814 2.493 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.735 2.978 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.438 4.213 -5.713 1.00 0.00 H new ATOM 419 N CYS B 7 -0.509 5.069 -8.324 1.00 0.00 N ATOM 420 CA CYS B 7 -1.754 5.532 -9.001 1.00 0.00 C ATOM 421 C CYS B 7 -2.337 4.396 -9.849 1.00 0.00 C ATOM 422 O CYS B 7 -1.880 4.132 -10.942 1.00 0.00 O ATOM 423 CB CYS B 7 -1.429 6.719 -9.910 1.00 0.00 C ATOM 424 SG CYS B 7 -1.608 8.264 -8.987 1.00 0.00 S ATOM 0 H CYS B 7 0.116 4.510 -8.904 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.481 5.832 -8.246 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.412 6.629 -10.292 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.095 6.721 -10.773 1.00 0.00 H new HETATM 429 N DAL B 8 -3.349 3.728 -9.357 1.00 0.00 N HETATM 430 CA DAL B 8 -3.964 2.617 -10.142 1.00 0.00 C HETATM 431 CB DAL B 8 -4.807 1.738 -9.213 1.00 0.00 C HETATM 432 C DAL B 8 -2.865 1.773 -10.790 1.00 0.00 C HETATM 433 O DAL B 8 -2.253 0.938 -10.154 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.172 1.321 -8.431 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.594 2.339 -8.758 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.256 0.927 -9.787 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.601 3.036 -10.921 1.00 0.00 H new HETATM 0 H DAL B 8 -3.526 3.803 -8.355 1.00 0.00 H new ATOM 439 N SER B 9 -2.614 1.986 -12.055 1.00 0.00 N ATOM 440 CA SER B 9 -1.558 1.205 -12.761 1.00 0.00 C ATOM 441 C SER B 9 -0.344 1.034 -11.848 1.00 0.00 C ATOM 442 O SER B 9 0.263 -0.016 -11.803 1.00 0.00 O ATOM 443 CB SER B 9 -1.135 1.951 -14.028 1.00 0.00 C ATOM 444 OG SER B 9 -0.115 1.212 -14.688 1.00 0.00 O ATOM 0 H SER B 9 -3.099 2.673 -12.633 1.00 0.00 H new ATOM 0 HA SER B 9 -1.953 0.224 -13.026 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.991 2.083 -14.690 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.772 2.947 -13.774 1.00 0.00 H new ATOM 0 HG SER B 9 0.158 1.686 -15.501 1.00 0.00 H new ATOM 450 N ASP B 10 0.009 2.054 -11.113 1.00 0.00 N ATOM 451 CA ASP B 10 1.180 1.941 -10.199 1.00 0.00 C ATOM 452 C ASP B 10 0.709 1.370 -8.866 1.00 0.00 C ATOM 453 O ASP B 10 1.439 0.691 -8.172 1.00 0.00 O ATOM 454 CB ASP B 10 1.798 3.323 -9.980 1.00 0.00 C ATOM 455 CG ASP B 10 3.246 3.322 -10.475 1.00 0.00 C ATOM 456 OD1 ASP B 10 4.053 2.622 -9.885 1.00 0.00 O ATOM 457 OD2 ASP B 10 3.524 4.023 -11.435 1.00 0.00 O ATOM 0 H ASP B 10 -0.462 2.959 -11.106 1.00 0.00 H new ATOM 0 HA ASP B 10 1.931 1.284 -10.638 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.221 4.079 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.765 3.584 -8.922 1.00 0.00 H new ATOM 462 N LEU B 11 -0.514 1.633 -8.513 1.00 0.00 N ATOM 463 CA LEU B 11 -1.052 1.099 -7.232 1.00 0.00 C ATOM 464 C LEU B 11 -0.896 -0.418 -7.239 1.00 0.00 C ATOM 465 O LEU B 11 -0.235 -0.996 -6.399 1.00 0.00 O ATOM 466 CB LEU B 11 -2.548 1.429 -7.132 1.00 0.00 C ATOM 467 CG LEU B 11 -2.869 2.222 -5.849 1.00 0.00 C ATOM 468 CD1 LEU B 11 -2.065 1.677 -4.668 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.539 3.704 -6.046 1.00 0.00 C ATOM 0 H LEU B 11 -1.168 2.196 -9.057 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.516 1.541 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.853 2.008 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.127 0.505 -7.144 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.933 2.113 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.304 2.248 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.318 0.629 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.000 1.765 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.770 4.253 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.479 3.813 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.132 4.103 -6.869 1.00 0.00 H new ATOM 481 N VAL B 12 -1.509 -1.059 -8.192 1.00 0.00 N ATOM 482 CA VAL B 12 -1.420 -2.539 -8.284 1.00 0.00 C ATOM 483 C VAL B 12 0.018 -2.942 -8.614 1.00 0.00 C ATOM 484 O VAL B 12 0.585 -3.815 -7.989 1.00 0.00 O ATOM 485 CB VAL B 12 -2.364 -3.020 -9.385 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.645 -4.508 -9.199 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.677 -2.240 -9.300 1.00 0.00 C ATOM 0 H VAL B 12 -2.073 -0.616 -8.917 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.705 -2.993 -7.335 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.903 -2.857 -10.359 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.318 -4.852 -9.984 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.709 -5.065 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.108 -4.672 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.354 -2.580 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.137 -2.407 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.477 -1.176 -9.429 1.00 0.00 H new ATOM 497 N GLU B 13 0.616 -2.307 -9.585 1.00 0.00 N ATOM 498 CA GLU B 13 2.022 -2.654 -9.941 1.00 0.00 C ATOM 499 C GLU B 13 2.871 -2.656 -8.671 1.00 0.00 C ATOM 500 O GLU B 13 3.810 -3.417 -8.535 1.00 0.00 O ATOM 501 CB GLU B 13 2.576 -1.610 -10.912 1.00 0.00 C ATOM 502 CG GLU B 13 2.541 -2.167 -12.337 1.00 0.00 C ATOM 503 CD GLU B 13 3.956 -2.564 -12.764 1.00 0.00 C ATOM 504 OE1 GLU B 13 4.502 -3.475 -12.163 1.00 0.00 O ATOM 505 OE2 GLU B 13 4.470 -1.950 -13.685 1.00 0.00 O ATOM 0 H GLU B 13 0.194 -1.566 -10.145 1.00 0.00 H new ATOM 0 HA GLU B 13 2.049 -3.638 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.987 -0.695 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.598 -1.349 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.879 -3.032 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.139 -1.420 -13.021 1.00 0.00 H new ATOM 512 N ALA B 14 2.539 -1.811 -7.736 1.00 0.00 N ATOM 513 CA ALA B 14 3.311 -1.757 -6.471 1.00 0.00 C ATOM 514 C ALA B 14 2.964 -2.987 -5.637 1.00 0.00 C ATOM 515 O ALA B 14 3.791 -3.842 -5.395 1.00 0.00 O ATOM 516 CB ALA B 14 2.924 -0.490 -5.709 1.00 0.00 C ATOM 0 H ALA B 14 1.762 -1.153 -7.797 1.00 0.00 H new ATOM 0 HA ALA B 14 4.381 -1.743 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.486 -0.440 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.153 0.385 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.857 -0.510 -5.489 1.00 0.00 H new ATOM 522 N LEU B 15 1.737 -3.086 -5.216 1.00 0.00 N ATOM 523 CA LEU B 15 1.314 -4.268 -4.413 1.00 0.00 C ATOM 524 C LEU B 15 1.743 -5.540 -5.145 1.00 0.00 C ATOM 525 O LEU B 15 1.902 -6.589 -4.554 1.00 0.00 O ATOM 526 CB LEU B 15 -0.207 -4.252 -4.250 1.00 0.00 C ATOM 527 CG LEU B 15 -0.613 -3.014 -3.442 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.041 -2.586 -3.803 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.546 -3.338 -1.948 1.00 0.00 C ATOM 0 H LEU B 15 1.005 -2.398 -5.393 1.00 0.00 H new ATOM 0 HA LEU B 15 1.779 -4.237 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.690 -4.238 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.540 -5.158 -3.743 1.00 0.00 H new ATOM 0 HG LEU B 15 0.072 -2.199 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.315 -1.706 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.092 -2.349 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.732 -3.399 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.834 -2.459 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.227 -4.159 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.471 -3.627 -1.684 1.00 0.00 H new ATOM 541 N TYR B 16 1.937 -5.450 -6.432 1.00 0.00 N ATOM 542 CA TYR B 16 2.364 -6.648 -7.210 1.00 0.00 C ATOM 543 C TYR B 16 3.794 -7.020 -6.821 1.00 0.00 C ATOM 544 O TYR B 16 4.124 -8.179 -6.662 1.00 0.00 O ATOM 545 CB TYR B 16 2.304 -6.329 -8.707 1.00 0.00 C ATOM 546 CG TYR B 16 2.187 -7.613 -9.497 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.330 -8.370 -9.779 1.00 0.00 C ATOM 548 CD2 TYR B 16 0.932 -8.044 -9.952 1.00 0.00 C ATOM 549 CE1 TYR B 16 3.221 -9.559 -10.514 1.00 0.00 C ATOM 550 CE2 TYR B 16 0.823 -9.232 -10.686 1.00 0.00 C ATOM 551 CZ TYR B 16 1.968 -9.990 -10.968 1.00 0.00 C ATOM 552 OH TYR B 16 1.860 -11.159 -11.691 1.00 0.00 O ATOM 0 H TYR B 16 1.818 -4.598 -6.979 1.00 0.00 H new ATOM 0 HA TYR B 16 1.700 -7.484 -6.991 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.452 -5.682 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.199 -5.785 -9.009 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.297 -8.038 -9.430 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.050 -7.460 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.104 -10.143 -10.730 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.144 -9.564 -11.035 1.00 0.00 H new ATOM 0 HH TYR B 16 0.921 -11.312 -11.927 1.00 0.00 H new ATOM 562 N LEU B 17 4.647 -6.046 -6.663 1.00 0.00 N ATOM 563 CA LEU B 17 6.056 -6.344 -6.282 1.00 0.00 C ATOM 564 C LEU B 17 6.160 -6.492 -4.761 1.00 0.00 C ATOM 565 O LEU B 17 6.678 -7.469 -4.257 1.00 0.00 O ATOM 566 CB LEU B 17 6.959 -5.202 -6.748 1.00 0.00 C ATOM 567 CG LEU B 17 7.882 -5.701 -7.860 1.00 0.00 C ATOM 568 CD1 LEU B 17 7.385 -5.180 -9.209 1.00 0.00 C ATOM 569 CD2 LEU B 17 9.303 -5.193 -7.609 1.00 0.00 C ATOM 0 H LEU B 17 4.429 -5.057 -6.781 1.00 0.00 H new ATOM 0 HA LEU B 17 6.370 -7.274 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.354 -4.370 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.549 -4.827 -5.912 1.00 0.00 H new ATOM 0 HG LEU B 17 7.882 -6.791 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.043 -5.536 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.373 -5.542 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.384 -4.090 -9.200 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.962 -5.548 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.303 -4.103 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.658 -5.565 -6.648 1.00 0.00 H new ATOM 581 N VAL B 18 5.670 -5.531 -4.026 1.00 0.00 N ATOM 582 CA VAL B 18 5.743 -5.620 -2.535 1.00 0.00 C ATOM 583 C VAL B 18 5.066 -6.907 -2.071 1.00 0.00 C ATOM 584 O VAL B 18 5.516 -7.562 -1.153 1.00 0.00 O ATOM 585 CB VAL B 18 5.036 -4.424 -1.882 1.00 0.00 C ATOM 586 CG1 VAL B 18 6.056 -3.341 -1.557 1.00 0.00 C ATOM 587 CG2 VAL B 18 3.984 -3.846 -2.828 1.00 0.00 C ATOM 0 H VAL B 18 5.223 -4.689 -4.390 1.00 0.00 H new ATOM 0 HA VAL B 18 6.792 -5.615 -2.240 1.00 0.00 H new ATOM 0 HB VAL B 18 4.550 -4.765 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.551 -2.493 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.803 -3.739 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.545 -3.015 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.492 -2.999 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.465 -3.515 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.244 -4.612 -3.061 1.00 0.00 H new ATOM 597 N CYS B 19 3.982 -7.271 -2.694 1.00 0.00 N ATOM 598 CA CYS B 19 3.276 -8.514 -2.278 1.00 0.00 C ATOM 599 C CYS B 19 3.391 -9.568 -3.380 1.00 0.00 C ATOM 600 O CYS B 19 3.949 -10.629 -3.181 1.00 0.00 O ATOM 601 CB CYS B 19 1.802 -8.204 -2.017 1.00 0.00 C ATOM 602 SG CYS B 19 1.604 -7.621 -0.317 1.00 0.00 S ATOM 0 H CYS B 19 3.555 -6.765 -3.470 1.00 0.00 H new ATOM 0 HA CYS B 19 3.732 -8.897 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.449 -7.446 -2.717 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.197 -9.096 -2.180 1.00 0.00 H new ATOM 607 N GLY B 20 2.870 -9.287 -4.543 1.00 0.00 N ATOM 608 CA GLY B 20 2.951 -10.276 -5.653 1.00 0.00 C ATOM 609 C GLY B 20 1.952 -11.407 -5.411 1.00 0.00 C ATOM 610 O GLY B 20 0.792 -11.178 -5.128 1.00 0.00 O ATOM 0 H GLY B 20 2.392 -8.415 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.738 -9.788 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.962 -10.679 -5.721 1.00 0.00 H new ATOM 614 N GLU B 21 2.397 -12.628 -5.519 1.00 0.00 N ATOM 615 CA GLU B 21 1.481 -13.782 -5.297 1.00 0.00 C ATOM 616 C GLU B 21 1.052 -13.828 -3.828 1.00 0.00 C ATOM 617 O GLU B 21 0.206 -14.612 -3.445 1.00 0.00 O ATOM 618 CB GLU B 21 2.206 -15.080 -5.657 1.00 0.00 C ATOM 619 CG GLU B 21 2.524 -15.088 -7.154 1.00 0.00 C ATOM 620 CD GLU B 21 2.882 -16.510 -7.592 1.00 0.00 C ATOM 621 OE1 GLU B 21 2.662 -17.422 -6.813 1.00 0.00 O ATOM 622 OE2 GLU B 21 3.370 -16.661 -8.701 1.00 0.00 O ATOM 0 H GLU B 21 3.358 -12.877 -5.752 1.00 0.00 H new ATOM 0 HA GLU B 21 0.598 -13.668 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.126 -15.168 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.585 -15.939 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.666 -14.727 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.353 -14.412 -7.364 1.00 0.00 H new ATOM 629 N ARG B 22 1.627 -12.997 -3.001 1.00 0.00 N ATOM 630 CA ARG B 22 1.249 -12.999 -1.559 1.00 0.00 C ATOM 631 C ARG B 22 -0.248 -12.719 -1.421 1.00 0.00 C ATOM 632 O ARG B 22 -0.838 -12.942 -0.381 1.00 0.00 O ATOM 633 CB ARG B 22 2.040 -11.918 -0.819 1.00 0.00 C ATOM 634 CG ARG B 22 3.519 -12.306 -0.780 1.00 0.00 C ATOM 635 CD ARG B 22 4.259 -11.408 0.213 1.00 0.00 C ATOM 636 NE ARG B 22 5.551 -12.045 0.592 1.00 0.00 N ATOM 637 CZ ARG B 22 6.455 -12.282 -0.320 1.00 0.00 C ATOM 638 NH1 ARG B 22 7.311 -11.353 -0.646 1.00 0.00 N ATOM 639 NH2 ARG B 22 6.502 -13.447 -0.905 1.00 0.00 N ATOM 0 H ARG B 22 2.342 -12.317 -3.262 1.00 0.00 H new ATOM 0 HA ARG B 22 1.477 -13.974 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.918 -10.957 -1.318 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.657 -11.801 0.195 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.624 -13.351 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.958 -12.206 -1.773 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.440 -10.429 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.647 -11.247 1.100 1.00 0.00 H new ATOM 0 HE ARG B 22 5.730 -12.296 1.564 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.274 -10.442 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.017 -11.538 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.832 -14.173 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.208 -13.632 -1.617 1.00 0.00 H new ATOM 653 N GLY B 23 -0.872 -12.235 -2.460 1.00 0.00 N ATOM 654 CA GLY B 23 -2.332 -11.947 -2.379 1.00 0.00 C ATOM 655 C GLY B 23 -2.547 -10.473 -2.012 1.00 0.00 C ATOM 656 O GLY B 23 -2.897 -10.152 -0.897 1.00 0.00 O ATOM 0 H GLY B 23 -0.436 -12.027 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.810 -12.168 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.799 -12.590 -1.633 1.00 0.00 H new ATOM 660 N PHE B 24 -2.344 -9.571 -2.937 1.00 0.00 N ATOM 661 CA PHE B 24 -2.545 -8.128 -2.619 1.00 0.00 C ATOM 662 C PHE B 24 -3.801 -7.616 -3.326 1.00 0.00 C ATOM 663 O PHE B 24 -4.041 -7.904 -4.481 1.00 0.00 O ATOM 664 CB PHE B 24 -1.328 -7.314 -3.079 1.00 0.00 C ATOM 665 CG PHE B 24 -1.356 -7.147 -4.582 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.201 -6.194 -5.172 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.540 -7.950 -5.388 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.229 -6.051 -6.565 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.568 -7.804 -6.780 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.412 -6.857 -7.369 1.00 0.00 C ATOM 0 H PHE B 24 -2.050 -9.770 -3.893 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.663 -8.015 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.330 -6.337 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.409 -7.817 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.829 -5.571 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.112 -8.683 -4.935 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.880 -5.319 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.063 -8.424 -7.400 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.434 -6.747 -8.443 1.00 0.00 H new ATOM 680 N PHE B 25 -4.598 -6.852 -2.637 1.00 0.00 N ATOM 681 CA PHE B 25 -5.841 -6.305 -3.256 1.00 0.00 C ATOM 682 C PHE B 25 -6.118 -4.912 -2.688 1.00 0.00 C ATOM 683 O PHE B 25 -6.705 -4.766 -1.634 1.00 0.00 O ATOM 684 CB PHE B 25 -7.023 -7.227 -2.946 1.00 0.00 C ATOM 685 CG PHE B 25 -8.215 -6.813 -3.775 1.00 0.00 C ATOM 686 CD1 PHE B 25 -8.068 -6.597 -5.152 1.00 0.00 C ATOM 687 CD2 PHE B 25 -9.467 -6.643 -3.169 1.00 0.00 C ATOM 688 CE1 PHE B 25 -9.173 -6.213 -5.922 1.00 0.00 C ATOM 689 CE2 PHE B 25 -10.572 -6.258 -3.939 1.00 0.00 C ATOM 690 CZ PHE B 25 -10.425 -6.042 -5.317 1.00 0.00 C ATOM 0 H PHE B 25 -4.444 -6.580 -1.666 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.709 -6.241 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.758 -8.262 -3.163 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.269 -7.177 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.103 -6.727 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.580 -6.809 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.060 -6.049 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.537 -6.128 -3.472 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.276 -5.744 -5.911 1.00 0.00 H new ATOM 700 N TYR B 26 -5.697 -3.885 -3.377 1.00 0.00 N ATOM 701 CA TYR B 26 -5.930 -2.501 -2.873 1.00 0.00 C ATOM 702 C TYR B 26 -7.433 -2.205 -2.853 1.00 0.00 C ATOM 703 O TYR B 26 -8.179 -2.668 -3.693 1.00 0.00 O ATOM 704 CB TYR B 26 -5.205 -1.494 -3.780 1.00 0.00 C ATOM 705 CG TYR B 26 -6.036 -1.199 -5.010 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.557 -2.251 -5.776 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.287 0.129 -5.382 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.328 -1.975 -6.913 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.061 0.405 -6.517 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.581 -0.647 -7.282 1.00 0.00 C ATOM 711 OH TYR B 26 -8.343 -0.375 -8.401 1.00 0.00 O ATOM 0 H TYR B 26 -5.202 -3.945 -4.267 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.539 -2.413 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.016 -0.571 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.235 -1.894 -4.076 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.364 -3.274 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.884 0.940 -4.794 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.727 -2.785 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.257 1.428 -6.802 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.423 0.595 -8.514 1.00 0.00 H new ATOM 721 N THR B 27 -7.881 -1.429 -1.903 1.00 0.00 N ATOM 722 CA THR B 27 -9.332 -1.097 -1.833 1.00 0.00 C ATOM 723 C THR B 27 -9.540 0.355 -2.268 1.00 0.00 C ATOM 724 O THR B 27 -9.032 1.273 -1.655 1.00 0.00 O ATOM 725 CB THR B 27 -9.828 -1.274 -0.395 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.718 -1.496 0.463 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.778 -2.471 -0.322 1.00 0.00 C ATOM 0 H THR B 27 -7.304 -1.011 -1.173 1.00 0.00 H new ATOM 0 HA THR B 27 -9.890 -1.761 -2.493 1.00 0.00 H new ATOM 0 HB THR B 27 -10.357 -0.374 -0.081 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.034 -1.608 1.384 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.129 -2.595 0.702 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.630 -2.300 -0.980 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.252 -3.373 -0.637 1.00 0.00 H new ATOM 735 N LYS B 28 -10.281 0.572 -3.320 1.00 0.00 N ATOM 736 CA LYS B 28 -10.513 1.967 -3.789 1.00 0.00 C ATOM 737 C LYS B 28 -11.524 2.662 -2.870 1.00 0.00 C ATOM 738 O LYS B 28 -11.253 3.729 -2.353 1.00 0.00 O ATOM 739 CB LYS B 28 -11.049 1.945 -5.223 1.00 0.00 C ATOM 740 CG LYS B 28 -10.181 2.843 -6.106 1.00 0.00 C ATOM 741 CD LYS B 28 -10.640 2.730 -7.560 1.00 0.00 C ATOM 742 CE LYS B 28 -9.746 3.598 -8.447 1.00 0.00 C ATOM 743 NZ LYS B 28 -9.491 2.894 -9.736 1.00 0.00 N ATOM 0 H LYS B 28 -10.735 -0.155 -3.874 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.571 2.515 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.045 0.925 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.083 2.289 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.252 3.878 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.134 2.552 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.595 1.691 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.679 3.048 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.224 4.559 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.803 3.804 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.254 3.591 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.698 2.231 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.343 2.368 -10.019 1.00 0.00 H new ATOM 757 N PRO B 29 -12.662 2.039 -2.693 1.00 0.00 N ATOM 758 CA PRO B 29 -13.735 2.579 -1.838 1.00 0.00 C ATOM 759 C PRO B 29 -13.419 2.334 -0.360 1.00 0.00 C ATOM 760 O PRO B 29 -13.951 1.431 0.256 1.00 0.00 O ATOM 761 CB PRO B 29 -14.972 1.788 -2.271 1.00 0.00 C ATOM 762 CG PRO B 29 -14.450 0.481 -2.914 1.00 0.00 C ATOM 763 CD PRO B 29 -12.988 0.744 -3.324 1.00 0.00 C ATOM 0 HA PRO B 29 -13.865 3.656 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.614 1.572 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.569 2.359 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.511 -0.349 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.052 0.208 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.327 -0.048 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.881 0.791 -4.408 1.00 0.00 H new ATOM 771 N THR B 30 -12.559 3.131 0.214 1.00 0.00 N ATOM 772 CA THR B 30 -12.211 2.942 1.650 1.00 0.00 C ATOM 773 C THR B 30 -13.392 3.379 2.521 1.00 0.00 C ATOM 774 O THR B 30 -14.126 4.254 2.093 1.00 0.00 O ATOM 775 CB THR B 30 -10.983 3.787 1.995 1.00 0.00 C ATOM 776 OG1 THR B 30 -11.008 4.988 1.236 1.00 0.00 O ATOM 777 CG2 THR B 30 -9.711 3.003 1.669 1.00 0.00 C ATOM 778 OXT THR B 30 -13.539 2.832 3.602 1.00 0.00 O ATOM 0 H THR B 30 -12.083 3.905 -0.250 1.00 0.00 H new ATOM 0 HA THR B 30 -11.990 1.891 1.835 1.00 0.00 H new ATOM 0 HB THR B 30 -10.996 4.027 3.058 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.223 5.531 1.457 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.838 3.607 1.916 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.692 2.082 2.252 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.696 2.760 0.607 1.00 0.00 H new TER 786 THR B 30