USER MOD reduce.3.24.130724 H: found=0, std=0, add=231, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 234 hydrogens (2 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 Single : A 250 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-5.6!) USER MOD Single : A 252 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.0062) USER MOD Single : A 256 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-0.28) USER MOD Single : A 263 SER OG : rot 180:sc= 0 USER MOD Single : A 266 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.2) USER MOD Single : A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 TYR OH : rot 180:sc= 0 USER MOD Single : A 275 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 250 63.593 -2.347 5.577 1.00 0.00 N ATOM 2 CA HIS A 250 62.485 -1.361 5.737 1.00 0.00 C ATOM 3 C HIS A 250 62.936 -0.245 6.674 1.00 0.00 C ATOM 4 O HIS A 250 64.077 -0.236 7.137 1.00 0.00 O ATOM 5 CB HIS A 250 61.259 -2.069 6.319 1.00 0.00 C ATOM 6 CG HIS A 250 60.030 -1.667 5.550 1.00 0.00 C ATOM 7 ND1 HIS A 250 58.966 -2.534 5.352 1.00 0.00 N ATOM 8 CD2 HIS A 250 59.678 -0.495 4.925 1.00 0.00 C ATOM 9 CE1 HIS A 250 58.035 -1.877 4.637 1.00 0.00 C ATOM 10 NE2 HIS A 250 58.418 -0.631 4.350 1.00 0.00 N ATOM 0 HA HIS A 250 62.226 -0.933 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 250 61.393 -3.150 6.270 1.00 0.00 H new ATOM 0 HB3 HIS A 250 61.143 -1.810 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 250 60.287 0.396 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 250 57.092 -2.306 4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 250 57.899 0.071 3.823 1.00 0.00 H new ATOM 20 N ILE A 251 62.031 0.692 6.948 1.00 0.00 N ATOM 21 CA ILE A 251 62.341 1.813 7.832 1.00 0.00 C ATOM 22 C ILE A 251 61.300 1.922 8.943 1.00 0.00 C ATOM 23 O ILE A 251 60.327 1.171 8.972 1.00 0.00 O ATOM 24 CB ILE A 251 62.383 3.126 7.043 1.00 0.00 C ATOM 25 CG1 ILE A 251 61.433 3.046 5.835 1.00 0.00 C ATOM 26 CG2 ILE A 251 63.814 3.391 6.567 1.00 0.00 C ATOM 27 CD1 ILE A 251 62.172 2.497 4.609 1.00 0.00 C ATOM 0 H ILE A 251 61.082 0.698 6.573 1.00 0.00 H new ATOM 0 HA ILE A 251 63.320 1.631 8.275 1.00 0.00 H new ATOM 0 HB ILE A 251 62.061 3.943 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 251 60.585 2.405 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 251 61.032 4.035 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 251 63.844 4.325 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 251 64.477 3.465 7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 251 64.142 2.572 5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 251 61.486 2.447 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 251 63.005 3.155 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 251 62.551 1.499 4.829 1.00 0.00 H new ATOM 39 N ASN A 252 61.518 2.864 9.855 1.00 0.00 N ATOM 40 CA ASN A 252 60.599 3.069 10.969 1.00 0.00 C ATOM 41 C ASN A 252 59.492 4.044 10.580 1.00 0.00 C ATOM 42 O ASN A 252 58.674 4.433 11.414 1.00 0.00 O ATOM 43 CB ASN A 252 61.358 3.616 12.178 1.00 0.00 C ATOM 44 CG ASN A 252 62.083 2.483 12.896 1.00 0.00 C ATOM 45 OD1 ASN A 252 62.112 2.445 14.126 1.00 0.00 O ATOM 46 ND2 ASN A 252 62.674 1.552 12.197 1.00 0.00 N ATOM 0 H ASN A 252 62.319 3.495 9.845 1.00 0.00 H new ATOM 0 HA ASN A 252 60.150 2.109 11.224 1.00 0.00 H new ATOM 0 HB2 ASN A 252 62.075 4.371 11.856 1.00 0.00 H new ATOM 0 HB3 ASN A 252 60.665 4.106 12.862 1.00 0.00 H new ATOM 0 HD21 ASN A 252 63.161 0.791 12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 252 62.648 1.586 11.178 1.00 0.00 H new ATOM 53 N GLU A 253 59.472 4.436 9.311 1.00 0.00 N ATOM 54 CA GLU A 253 58.466 5.364 8.823 1.00 0.00 C ATOM 55 C GLU A 253 57.183 4.617 8.488 1.00 0.00 C ATOM 56 O GLU A 253 56.183 5.221 8.101 1.00 0.00 O ATOM 57 CB GLU A 253 58.989 6.080 7.580 1.00 0.00 C ATOM 58 CG GLU A 253 60.354 6.700 7.885 1.00 0.00 C ATOM 59 CD GLU A 253 60.377 8.159 7.442 1.00 0.00 C ATOM 60 OE1 GLU A 253 59.696 8.957 8.064 1.00 0.00 O ATOM 61 OE2 GLU A 253 61.079 8.457 6.489 1.00 0.00 O ATOM 0 H GLU A 253 60.140 4.125 8.606 1.00 0.00 H new ATOM 0 HA GLU A 253 58.253 6.099 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 253 59.074 5.377 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 253 58.287 6.854 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 253 60.562 6.633 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 253 61.138 6.143 7.371 1.00 0.00 H new ATOM 68 N LEU A 254 57.222 3.298 8.643 1.00 0.00 N ATOM 69 CA LEU A 254 56.057 2.469 8.361 1.00 0.00 C ATOM 70 C LEU A 254 54.790 3.140 8.881 1.00 0.00 C ATOM 71 O LEU A 254 53.688 2.845 8.426 1.00 0.00 O ATOM 72 CB LEU A 254 56.219 1.098 9.022 1.00 0.00 C ATOM 73 CG LEU A 254 56.297 0.016 7.943 1.00 0.00 C ATOM 74 CD1 LEU A 254 57.530 0.252 7.068 1.00 0.00 C ATOM 75 CD2 LEU A 254 56.402 -1.358 8.609 1.00 0.00 C ATOM 0 H LEU A 254 58.043 2.783 8.961 1.00 0.00 H new ATOM 0 HA LEU A 254 55.974 2.343 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 254 57.121 1.082 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 254 55.379 0.902 9.688 1.00 0.00 H new ATOM 0 HG LEU A 254 55.401 0.056 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 254 57.584 -0.520 6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 254 57.458 1.231 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 254 58.427 0.213 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 254 56.458 -2.131 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 254 57.299 -1.395 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 254 55.524 -1.528 9.232 1.00 0.00 H new ATOM 87 N LEU A 255 54.962 4.046 9.835 1.00 0.00 N ATOM 88 CA LEU A 255 53.833 4.763 10.413 1.00 0.00 C ATOM 89 C LEU A 255 53.684 6.132 9.757 1.00 0.00 C ATOM 90 O LEU A 255 52.573 6.584 9.485 1.00 0.00 O ATOM 91 CB LEU A 255 54.036 4.937 11.921 1.00 0.00 C ATOM 92 CG LEU A 255 54.160 3.564 12.587 1.00 0.00 C ATOM 93 CD1 LEU A 255 55.029 3.683 13.840 1.00 0.00 C ATOM 94 CD2 LEU A 255 52.769 3.061 12.980 1.00 0.00 C ATOM 0 H LEU A 255 55.870 4.301 10.224 1.00 0.00 H new ATOM 0 HA LEU A 255 52.927 4.183 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 255 54.933 5.526 12.111 1.00 0.00 H new ATOM 0 HB3 LEU A 255 53.197 5.485 12.350 1.00 0.00 H new ATOM 0 HG LEU A 255 54.618 2.862 11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 255 55.118 2.706 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 255 56.020 4.043 13.563 1.00 0.00 H new ATOM 0 HD13 LEU A 255 54.569 4.385 14.536 1.00 0.00 H new ATOM 0 HD21 LEU A 255 52.856 2.083 13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 255 52.312 3.763 13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 255 52.147 2.978 12.089 1.00 0.00 H new ATOM 106 N HIS A 256 54.815 6.785 9.510 1.00 0.00 N ATOM 107 CA HIS A 256 54.806 8.105 8.889 1.00 0.00 C ATOM 108 C HIS A 256 54.680 7.984 7.377 1.00 0.00 C ATOM 109 O HIS A 256 53.632 8.284 6.808 1.00 0.00 O ATOM 110 CB HIS A 256 56.094 8.856 9.232 1.00 0.00 C ATOM 111 CG HIS A 256 56.231 8.952 10.724 1.00 0.00 C ATOM 112 ND1 HIS A 256 57.286 9.612 11.333 1.00 0.00 N ATOM 113 CD2 HIS A 256 55.450 8.470 11.746 1.00 0.00 C ATOM 114 CE1 HIS A 256 57.114 9.511 12.664 1.00 0.00 C ATOM 115 NE2 HIS A 256 56.010 8.825 12.970 1.00 0.00 N ATOM 0 H HIS A 256 55.744 6.425 9.729 1.00 0.00 H new ATOM 0 HA HIS A 256 53.949 8.658 9.274 1.00 0.00 H new ATOM 0 HB2 HIS A 256 56.954 8.337 8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 256 56.075 9.853 8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 256 54.540 7.902 11.619 1.00 0.00 H new ATOM 0 HE1 HIS A 256 57.787 9.933 13.396 1.00 0.00 H new ATOM 0 HE2 HIS A 256 55.654 8.608 13.901 1.00 0.00 H new ATOM 123 N ILE A 257 55.757 7.546 6.733 1.00 0.00 N ATOM 124 CA ILE A 257 55.756 7.395 5.284 1.00 0.00 C ATOM 125 C ILE A 257 54.437 6.797 4.814 1.00 0.00 C ATOM 126 O ILE A 257 53.897 7.200 3.784 1.00 0.00 O ATOM 127 CB ILE A 257 56.922 6.502 4.847 1.00 0.00 C ATOM 128 CG1 ILE A 257 58.181 7.362 4.672 1.00 0.00 C ATOM 129 CG2 ILE A 257 56.585 5.802 3.525 1.00 0.00 C ATOM 130 CD1 ILE A 257 58.240 7.928 3.250 1.00 0.00 C ATOM 0 H ILE A 257 56.634 7.292 7.187 1.00 0.00 H new ATOM 0 HA ILE A 257 55.874 8.380 4.831 1.00 0.00 H new ATOM 0 HB ILE A 257 57.099 5.744 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 257 58.177 8.177 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 257 59.070 6.763 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 257 57.421 5.170 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 257 55.694 5.187 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 257 56.400 6.550 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 257 59.137 8.536 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 257 58.265 7.108 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 257 57.359 8.543 3.066 1.00 0.00 H new ATOM 142 N LEU A 258 53.920 5.835 5.571 1.00 0.00 N ATOM 143 CA LEU A 258 52.662 5.194 5.212 1.00 0.00 C ATOM 144 C LEU A 258 51.625 6.224 4.764 1.00 0.00 C ATOM 145 O LEU A 258 50.613 5.872 4.157 1.00 0.00 O ATOM 146 CB LEU A 258 52.119 4.418 6.415 1.00 0.00 C ATOM 147 CG LEU A 258 52.188 2.911 6.152 1.00 0.00 C ATOM 148 CD1 LEU A 258 51.263 2.542 4.990 1.00 0.00 C ATOM 149 CD2 LEU A 258 53.626 2.506 5.810 1.00 0.00 C ATOM 0 H LEU A 258 54.348 5.485 6.428 1.00 0.00 H new ATOM 0 HA LEU A 258 52.852 4.513 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 258 52.696 4.665 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 258 51.088 4.713 6.611 1.00 0.00 H new ATOM 0 HG LEU A 258 51.868 2.381 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 258 51.317 1.469 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 258 50.238 2.817 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 258 51.574 3.078 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 258 53.667 1.433 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 258 53.953 3.041 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 258 54.282 2.755 6.644 1.00 0.00 H new ATOM 161 N VAL A 259 51.876 7.495 5.066 1.00 0.00 N ATOM 162 CA VAL A 259 50.948 8.557 4.685 1.00 0.00 C ATOM 163 C VAL A 259 50.491 8.386 3.238 1.00 0.00 C ATOM 164 O VAL A 259 49.407 8.833 2.865 1.00 0.00 O ATOM 165 CB VAL A 259 51.614 9.926 4.852 1.00 0.00 C ATOM 166 CG1 VAL A 259 51.806 10.229 6.340 1.00 0.00 C ATOM 167 CG2 VAL A 259 52.977 9.927 4.154 1.00 0.00 C ATOM 0 H VAL A 259 52.705 7.813 5.568 1.00 0.00 H new ATOM 0 HA VAL A 259 50.077 8.495 5.338 1.00 0.00 H new ATOM 0 HB VAL A 259 50.977 10.689 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 259 52.280 11.204 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 259 50.836 10.236 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 259 52.438 9.463 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 259 53.447 10.903 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 259 53.613 9.160 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 259 52.842 9.719 3.093 1.00 0.00 H new ATOM 177 N PHE A 260 51.321 7.738 2.428 1.00 0.00 N ATOM 178 CA PHE A 260 50.985 7.519 1.025 1.00 0.00 C ATOM 179 C PHE A 260 50.070 6.308 0.880 1.00 0.00 C ATOM 180 O PHE A 260 49.292 6.214 -0.069 1.00 0.00 O ATOM 181 CB PHE A 260 52.260 7.304 0.207 1.00 0.00 C ATOM 182 CG PHE A 260 52.995 8.616 0.074 1.00 0.00 C ATOM 183 CD1 PHE A 260 52.624 9.530 -0.919 1.00 0.00 C ATOM 184 CD2 PHE A 260 54.047 8.919 0.945 1.00 0.00 C ATOM 185 CE1 PHE A 260 53.304 10.747 -1.041 1.00 0.00 C ATOM 186 CE2 PHE A 260 54.728 10.137 0.825 1.00 0.00 C ATOM 187 CZ PHE A 260 54.356 11.051 -0.168 1.00 0.00 C ATOM 0 H PHE A 260 52.223 7.358 2.715 1.00 0.00 H new ATOM 0 HA PHE A 260 50.464 8.401 0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 260 52.897 6.565 0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 260 52.011 6.912 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 260 51.812 9.296 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 260 54.334 8.213 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 260 53.018 11.451 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 260 55.540 10.371 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 260 54.880 11.991 -0.261 1.00 0.00 H new ATOM 197 N GLY A 261 50.167 5.385 1.830 1.00 0.00 N ATOM 198 CA GLY A 261 49.341 4.186 1.805 1.00 0.00 C ATOM 199 C GLY A 261 48.125 4.351 2.708 1.00 0.00 C ATOM 200 O GLY A 261 47.193 3.547 2.666 1.00 0.00 O ATOM 0 H GLY A 261 50.806 5.444 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 261 49.017 3.983 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 261 49.928 3.327 2.130 1.00 0.00 H new ATOM 204 N GLU A 262 48.139 5.400 3.524 1.00 0.00 N ATOM 205 CA GLU A 262 47.031 5.664 4.434 1.00 0.00 C ATOM 206 C GLU A 262 45.932 6.449 3.726 1.00 0.00 C ATOM 207 O GLU A 262 44.780 6.018 3.677 1.00 0.00 O ATOM 208 CB GLU A 262 47.526 6.456 5.647 1.00 0.00 C ATOM 209 CG GLU A 262 48.480 5.587 6.467 1.00 0.00 C ATOM 210 CD GLU A 262 47.741 4.977 7.652 1.00 0.00 C ATOM 211 OE1 GLU A 262 47.263 5.733 8.482 1.00 0.00 O ATOM 212 OE2 GLU A 262 47.666 3.760 7.715 1.00 0.00 O ATOM 0 H GLU A 262 48.900 6.077 3.574 1.00 0.00 H new ATOM 0 HA GLU A 262 46.624 4.709 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 262 48.034 7.363 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 262 46.681 6.767 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 262 48.895 4.797 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 262 49.319 6.187 6.821 1.00 0.00 H new ATOM 219 N SER A 263 46.296 7.604 3.176 1.00 0.00 N ATOM 220 CA SER A 263 45.332 8.440 2.472 1.00 0.00 C ATOM 221 C SER A 263 44.571 7.619 1.436 1.00 0.00 C ATOM 222 O SER A 263 43.362 7.776 1.270 1.00 0.00 O ATOM 223 CB SER A 263 46.049 9.598 1.781 1.00 0.00 C ATOM 224 OG SER A 263 46.550 10.493 2.765 1.00 0.00 O ATOM 0 H SER A 263 47.244 7.979 3.204 1.00 0.00 H new ATOM 0 HA SER A 263 44.623 8.837 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 263 46.866 9.220 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 263 45.363 10.120 1.114 1.00 0.00 H new ATOM 0 HG SER A 263 47.012 11.237 2.325 1.00 0.00 H new ATOM 230 N LEU A 264 45.288 6.740 0.742 1.00 0.00 N ATOM 231 CA LEU A 264 44.669 5.898 -0.274 1.00 0.00 C ATOM 232 C LEU A 264 43.327 5.370 0.224 1.00 0.00 C ATOM 233 O LEU A 264 42.405 5.150 -0.561 1.00 0.00 O ATOM 234 CB LEU A 264 45.590 4.719 -0.609 1.00 0.00 C ATOM 235 CG LEU A 264 46.324 4.982 -1.930 1.00 0.00 C ATOM 236 CD1 LEU A 264 45.331 4.955 -3.097 1.00 0.00 C ATOM 237 CD2 LEU A 264 47.005 6.351 -1.873 1.00 0.00 C ATOM 0 H LEU A 264 46.290 6.593 0.864 1.00 0.00 H new ATOM 0 HA LEU A 264 44.507 6.496 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 264 46.312 4.572 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 264 45.006 3.802 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 264 47.074 4.205 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 264 45.861 5.143 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 264 44.850 3.978 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 264 44.574 5.725 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 264 47.526 6.537 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 264 46.254 7.125 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 264 47.721 6.367 -1.051 1.00 0.00 H new ATOM 249 N LEU A 265 43.228 5.176 1.534 1.00 0.00 N ATOM 250 CA LEU A 265 41.994 4.678 2.132 1.00 0.00 C ATOM 251 C LEU A 265 41.005 5.821 2.330 1.00 0.00 C ATOM 252 O LEU A 265 39.798 5.648 2.163 1.00 0.00 O ATOM 253 CB LEU A 265 42.302 4.015 3.480 1.00 0.00 C ATOM 254 CG LEU A 265 41.027 3.401 4.075 1.00 0.00 C ATOM 255 CD1 LEU A 265 40.497 2.296 3.158 1.00 0.00 C ATOM 256 CD2 LEU A 265 41.350 2.806 5.448 1.00 0.00 C ATOM 0 H LEU A 265 43.981 5.354 2.199 1.00 0.00 H new ATOM 0 HA LEU A 265 41.549 3.942 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 265 43.059 3.242 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 265 42.715 4.751 4.169 1.00 0.00 H new ATOM 0 HG LEU A 265 40.268 4.177 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 265 39.593 1.867 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 265 40.268 2.715 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 265 41.253 1.517 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 265 40.448 2.368 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 265 42.112 2.034 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 265 41.720 3.591 6.107 1.00 0.00 H new ATOM 268 N ASN A 266 41.526 6.991 2.686 1.00 0.00 N ATOM 269 CA ASN A 266 40.681 8.159 2.903 1.00 0.00 C ATOM 270 C ASN A 266 40.183 8.709 1.571 1.00 0.00 C ATOM 271 O ASN A 266 39.148 9.373 1.509 1.00 0.00 O ATOM 272 CB ASN A 266 41.466 9.242 3.645 1.00 0.00 C ATOM 273 CG ASN A 266 41.769 10.403 2.703 1.00 0.00 C ATOM 274 OD1 ASN A 266 41.087 11.428 2.739 1.00 0.00 O ATOM 275 ND2 ASN A 266 42.756 10.303 1.856 1.00 0.00 N ATOM 0 H ASN A 266 42.522 7.155 2.829 1.00 0.00 H new ATOM 0 HA ASN A 266 39.823 7.859 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 266 40.892 9.597 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 266 42.395 8.827 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 266 42.964 11.074 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 266 43.320 9.453 1.828 1.00 0.00 H new ATOM 282 N ASP A 267 40.927 8.426 0.508 1.00 0.00 N ATOM 283 CA ASP A 267 40.554 8.894 -0.821 1.00 0.00 C ATOM 284 C ASP A 267 39.675 7.863 -1.521 1.00 0.00 C ATOM 285 O ASP A 267 39.104 8.132 -2.578 1.00 0.00 O ATOM 286 CB ASP A 267 41.810 9.148 -1.657 1.00 0.00 C ATOM 287 CG ASP A 267 42.019 10.646 -1.843 1.00 0.00 C ATOM 288 OD1 ASP A 267 41.349 11.218 -2.686 1.00 0.00 O ATOM 289 OD2 ASP A 267 42.847 11.201 -1.137 1.00 0.00 O ATOM 0 H ASP A 267 41.787 7.878 0.540 1.00 0.00 H new ATOM 0 HA ASP A 267 39.994 9.823 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 267 42.679 8.710 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 267 41.715 8.663 -2.628 1.00 0.00 H new ATOM 294 N ALA A 268 39.572 6.682 -0.921 1.00 0.00 N ATOM 295 CA ALA A 268 38.759 5.613 -1.490 1.00 0.00 C ATOM 296 C ALA A 268 37.371 5.604 -0.858 1.00 0.00 C ATOM 297 O ALA A 268 36.379 5.293 -1.519 1.00 0.00 O ATOM 298 CB ALA A 268 39.438 4.263 -1.254 1.00 0.00 C ATOM 0 H ALA A 268 40.038 6.441 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 268 38.657 5.787 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 268 38.826 3.468 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 268 40.419 4.261 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 268 39.553 4.096 -0.183 1.00 0.00 H new ATOM 304 N VAL A 269 37.310 5.946 0.424 1.00 0.00 N ATOM 305 CA VAL A 269 36.042 5.975 1.140 1.00 0.00 C ATOM 306 C VAL A 269 35.313 7.289 0.883 1.00 0.00 C ATOM 307 O VAL A 269 34.167 7.466 1.294 1.00 0.00 O ATOM 308 CB VAL A 269 36.289 5.811 2.640 1.00 0.00 C ATOM 309 CG1 VAL A 269 34.991 6.075 3.404 1.00 0.00 C ATOM 310 CG2 VAL A 269 36.766 4.385 2.923 1.00 0.00 C ATOM 0 H VAL A 269 38.121 6.206 0.986 1.00 0.00 H new ATOM 0 HA VAL A 269 35.422 5.153 0.781 1.00 0.00 H new ATOM 0 HB VAL A 269 37.050 6.521 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 269 35.168 5.958 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 269 34.650 7.090 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 269 34.229 5.365 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 269 36.943 4.266 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 269 36.004 3.676 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 269 37.691 4.196 2.379 1.00 0.00 H new ATOM 320 N THR A 270 35.987 8.206 0.198 1.00 0.00 N ATOM 321 CA THR A 270 35.396 9.501 -0.112 1.00 0.00 C ATOM 322 C THR A 270 34.646 9.439 -1.438 1.00 0.00 C ATOM 323 O THR A 270 33.749 10.241 -1.692 1.00 0.00 O ATOM 324 CB THR A 270 36.488 10.569 -0.191 1.00 0.00 C ATOM 325 OG1 THR A 270 35.905 11.854 -0.018 1.00 0.00 O ATOM 326 CG2 THR A 270 37.174 10.497 -1.555 1.00 0.00 C ATOM 0 H THR A 270 36.937 8.078 -0.151 1.00 0.00 H new ATOM 0 HA THR A 270 34.694 9.760 0.681 1.00 0.00 H new ATOM 0 HB THR A 270 37.225 10.396 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 270 36.604 12.539 -0.067 1.00 0.00 H new ATOM 0 HG21 THR A 270 37.952 11.258 -1.611 1.00 0.00 H new ATOM 0 HG22 THR A 270 37.620 9.511 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 270 36.439 10.670 -2.341 1.00 0.00 H new ATOM 334 N VAL A 271 35.020 8.480 -2.280 1.00 0.00 N ATOM 335 CA VAL A 271 34.372 8.323 -3.576 1.00 0.00 C ATOM 336 C VAL A 271 32.856 8.319 -3.413 1.00 0.00 C ATOM 337 O VAL A 271 32.115 8.446 -4.388 1.00 0.00 O ATOM 338 CB VAL A 271 34.822 7.018 -4.232 1.00 0.00 C ATOM 339 CG1 VAL A 271 36.346 7.005 -4.354 1.00 0.00 C ATOM 340 CG2 VAL A 271 34.372 5.835 -3.371 1.00 0.00 C ATOM 0 H VAL A 271 35.762 7.806 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 271 34.658 9.162 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 271 34.378 6.939 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 271 36.666 6.074 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 271 36.669 7.848 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 271 36.791 7.084 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 271 34.692 4.903 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 271 34.817 5.916 -2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 271 33.286 5.842 -3.282 1.00 0.00 H new ATOM 350 N VAL A 272 32.404 8.172 -2.172 1.00 0.00 N ATOM 351 CA VAL A 272 30.975 8.153 -1.887 1.00 0.00 C ATOM 352 C VAL A 272 30.470 9.563 -1.598 1.00 0.00 C ATOM 353 O VAL A 272 29.276 9.842 -1.712 1.00 0.00 O ATOM 354 CB VAL A 272 30.694 7.253 -0.683 1.00 0.00 C ATOM 355 CG1 VAL A 272 29.216 7.354 -0.305 1.00 0.00 C ATOM 356 CG2 VAL A 272 31.030 5.804 -1.042 1.00 0.00 C ATOM 0 H VAL A 272 33.002 8.065 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 272 30.454 7.763 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 272 31.307 7.571 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 272 29.015 6.713 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 272 28.975 8.386 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 272 28.602 7.035 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 272 30.830 5.161 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 272 30.416 5.486 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 272 32.083 5.731 -1.313 1.00 0.00 H new ATOM 366 N LEU A 273 31.388 10.450 -1.227 1.00 0.00 N ATOM 367 CA LEU A 273 31.025 11.830 -0.926 1.00 0.00 C ATOM 368 C LEU A 273 31.046 12.670 -2.199 1.00 0.00 C ATOM 369 O LEU A 273 30.304 13.644 -2.325 1.00 0.00 O ATOM 370 CB LEU A 273 32.008 12.419 0.093 1.00 0.00 C ATOM 371 CG LEU A 273 31.665 11.921 1.504 1.00 0.00 C ATOM 372 CD1 LEU A 273 30.333 12.516 1.976 1.00 0.00 C ATOM 373 CD2 LEU A 273 31.560 10.394 1.489 1.00 0.00 C ATOM 0 H LEU A 273 32.381 10.240 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 273 30.019 11.843 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 273 33.027 12.132 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 273 31.967 13.508 0.063 1.00 0.00 H new ATOM 0 HG LEU A 273 32.452 12.235 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 273 30.106 12.152 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 273 30.406 13.603 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 273 29.538 12.216 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 273 31.317 10.036 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 273 30.777 10.090 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 273 32.512 9.967 1.173 1.00 0.00 H new ATOM 385 N TYR A 274 31.899 12.281 -3.140 1.00 0.00 N ATOM 386 CA TYR A 274 32.010 12.998 -4.404 1.00 0.00 C ATOM 387 C TYR A 274 31.011 12.453 -5.415 1.00 0.00 C ATOM 388 O TYR A 274 30.354 13.210 -6.128 1.00 0.00 O ATOM 389 CB TYR A 274 33.426 12.852 -4.963 1.00 0.00 C ATOM 390 CG TYR A 274 33.354 12.583 -6.448 1.00 0.00 C ATOM 391 CD1 TYR A 274 33.176 11.275 -6.918 1.00 0.00 C ATOM 392 CD2 TYR A 274 33.467 13.642 -7.355 1.00 0.00 C ATOM 393 CE1 TYR A 274 33.111 11.029 -8.294 1.00 0.00 C ATOM 394 CE2 TYR A 274 33.403 13.396 -8.732 1.00 0.00 C ATOM 395 CZ TYR A 274 33.225 12.090 -9.202 1.00 0.00 C ATOM 396 OH TYR A 274 33.161 11.846 -10.559 1.00 0.00 O ATOM 0 H TYR A 274 32.521 11.477 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 274 31.795 14.051 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 274 33.999 13.760 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 274 33.945 12.037 -4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 274 33.089 10.457 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 274 33.604 14.650 -6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 274 32.973 10.021 -8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 274 33.491 14.214 -9.431 1.00 0.00 H new ATOM 0 HH TYR A 274 33.256 12.690 -11.048 1.00 0.00 H new ATOM 406 N LYS A 275 30.909 11.130 -5.472 1.00 0.00 N ATOM 407 CA LYS A 275 29.994 10.484 -6.401 1.00 0.00 C ATOM 408 C LYS A 275 28.549 10.837 -6.066 1.00 0.00 C ATOM 409 O LYS A 275 27.721 11.023 -6.959 1.00 0.00 O ATOM 410 CB LYS A 275 30.182 8.966 -6.341 1.00 0.00 C ATOM 411 CG LYS A 275 29.234 8.292 -7.335 1.00 0.00 C ATOM 412 CD LYS A 275 29.933 7.093 -7.979 1.00 0.00 C ATOM 413 CE LYS A 275 30.841 7.581 -9.110 1.00 0.00 C ATOM 414 NZ LYS A 275 30.115 7.479 -10.408 1.00 0.00 N ATOM 0 H LYS A 275 31.446 10.488 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 275 30.214 10.839 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 275 31.215 8.708 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 275 29.984 8.604 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 275 28.328 7.966 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 275 28.930 9.004 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 275 30.519 6.556 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 275 29.194 6.393 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 275 31.142 8.613 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 275 31.752 6.984 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 275 30.731 7.810 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 275 29.849 6.488 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 275 29.258 8.067 -10.373 1.00 0.00 H new ATOM 428 N LYS A 276 28.253 10.930 -4.774 1.00 0.00 N ATOM 429 CA LYS A 276 26.904 11.264 -4.331 1.00 0.00 C ATOM 430 C LYS A 276 25.865 10.529 -5.172 1.00 0.00 C ATOM 431 O LYS A 276 24.699 10.925 -5.213 1.00 0.00 O ATOM 432 CB LYS A 276 26.677 12.773 -4.438 1.00 0.00 C ATOM 433 CG LYS A 276 27.270 13.468 -3.210 1.00 0.00 C ATOM 434 CD LYS A 276 27.705 14.885 -3.585 1.00 0.00 C ATOM 435 CE LYS A 276 26.498 15.671 -4.101 1.00 0.00 C ATOM 436 NZ LYS A 276 26.842 17.119 -4.173 1.00 0.00 N ATOM 0 H LYS A 276 28.923 10.780 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 276 26.797 10.954 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 276 27.141 13.158 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 276 25.611 12.987 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 276 26.533 13.503 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 276 28.123 12.902 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 276 28.135 15.386 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 276 28.482 14.848 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 276 26.207 15.306 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 276 25.644 15.522 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 26.022 17.654 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 27.100 17.462 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 27.645 17.253 -4.820 1.00 0.00 H new HETATM 450 N NH2 A 277 26.220 9.474 -5.852 1.00 0.00 N TER 453 NH2 A 277