USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 144 MET CE :methyl -143:sc= -3.55! (180deg=-5.49!) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.128 USER MOD Set 2.1: A 124 MET CE :methyl -133:sc= -9.88! (180deg=-11.1!) USER MOD Set 2.2: B1916 TYR OH : rot -5:sc= 0.0804 USER MOD Set 3.1: A 107 HIS :FLIP no HD1:sc= -0.252 F(o=-1.7,f=-1.2) USER MOD Set 3.2: A 111 ASN : amide:sc= -0.916 K(o=-1.2,f=-2.3!) USER MOD Single : A 81 SER OG : rot -32:sc= 0.389 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 146:sc= -0.499 (180deg=-2.12!) USER MOD Single : A 110 THR OG1 : rot -60:sc= 1.04 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc=0.000601 USER MOD Single : A 137 ASN : amide:sc= -4.02! C(o=-4!,f=-6!) USER MOD Single : A 138 TYR OH : rot 150:sc= -1.13 USER MOD Single : A 145 MET CE :methyl -178:sc= -2.92! (180deg=-2.98!) USER MOD Single : B1908 SER OG : rot 102:sc= -4.28! USER MOD Single : B1913 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.581 9.997 2.038 1.00 0.00 N ATOM 87 CA SER A 81 0.725 8.626 1.559 1.00 0.00 C ATOM 88 C SER A 81 1.730 7.852 2.404 1.00 0.00 C ATOM 89 O SER A 81 1.494 6.700 2.765 1.00 0.00 O ATOM 90 CB SER A 81 1.168 8.615 0.096 1.00 0.00 C ATOM 91 OG SER A 81 2.099 9.652 -0.162 1.00 0.00 O ATOM 0 HA SER A 81 -0.247 8.141 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.617 7.651 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.299 8.733 -0.551 1.00 0.00 H new ATOM 0 HG SER A 81 1.898 10.422 0.410 1.00 0.00 H new ATOM 97 N GLU A 82 2.856 8.487 2.709 1.00 0.00 N ATOM 98 CA GLU A 82 3.899 7.851 3.503 1.00 0.00 C ATOM 99 C GLU A 82 3.372 7.421 4.870 1.00 0.00 C ATOM 100 O GLU A 82 3.454 6.249 5.234 1.00 0.00 O ATOM 101 CB GLU A 82 5.086 8.802 3.679 1.00 0.00 C ATOM 102 CG GLU A 82 6.420 8.086 3.840 1.00 0.00 C ATOM 103 CD GLU A 82 7.253 8.644 4.978 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.087 8.171 6.122 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.071 9.553 4.725 1.00 0.00 O ATOM 0 H GLU A 82 3.069 9.441 2.418 1.00 0.00 H new ATOM 0 HA GLU A 82 4.227 6.960 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.141 9.465 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.912 9.430 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.239 7.025 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.984 8.165 2.911 1.00 0.00 H new ATOM 112 N GLU A 83 2.841 8.375 5.626 1.00 0.00 N ATOM 113 CA GLU A 83 2.315 8.091 6.959 1.00 0.00 C ATOM 114 C GLU A 83 1.084 7.189 6.906 1.00 0.00 C ATOM 115 O GLU A 83 0.881 6.354 7.787 1.00 0.00 O ATOM 116 CB GLU A 83 1.970 9.396 7.679 1.00 0.00 C ATOM 117 CG GLU A 83 2.033 9.289 9.194 1.00 0.00 C ATOM 118 CD GLU A 83 2.591 10.540 9.844 1.00 0.00 C ATOM 119 OE1 GLU A 83 3.831 10.671 9.911 1.00 0.00 O1- ATOM 120 OE2 GLU A 83 1.787 11.388 10.285 1.00 0.00 O ATOM 0 H GLU A 83 2.763 9.351 5.341 1.00 0.00 H new ATOM 0 HA GLU A 83 3.092 7.562 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.656 10.176 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.968 9.709 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.033 9.097 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.651 8.434 9.469 1.00 0.00 H new ATOM 127 N GLU A 84 0.260 7.365 5.879 1.00 0.00 N ATOM 128 CA GLU A 84 -0.953 6.566 5.732 1.00 0.00 C ATOM 129 C GLU A 84 -0.629 5.141 5.291 1.00 0.00 C ATOM 130 O GLU A 84 -1.107 4.175 5.884 1.00 0.00 O ATOM 131 CB GLU A 84 -1.902 7.219 4.727 1.00 0.00 C ATOM 132 CG GLU A 84 -2.421 8.577 5.171 1.00 0.00 C ATOM 133 CD GLU A 84 -3.075 8.534 6.538 1.00 0.00 C ATOM 134 OE1 GLU A 84 -4.232 8.072 6.628 1.00 0.00 O1- ATOM 135 OE2 GLU A 84 -2.432 8.964 7.517 1.00 0.00 O ATOM 0 H GLU A 84 0.408 8.051 5.138 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.440 6.519 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.386 7.331 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.749 6.554 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.596 9.289 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.141 8.943 4.439 1.00 0.00 H new ATOM 142 N LEU A 85 0.181 5.019 4.245 1.00 0.00 N ATOM 143 CA LEU A 85 0.566 3.712 3.718 1.00 0.00 C ATOM 144 C LEU A 85 1.241 2.861 4.795 1.00 0.00 C ATOM 145 O LEU A 85 0.874 1.705 5.003 1.00 0.00 O ATOM 146 CB LEU A 85 1.496 3.890 2.511 1.00 0.00 C ATOM 147 CG LEU A 85 2.168 2.613 1.992 1.00 0.00 C ATOM 148 CD1 LEU A 85 1.138 1.678 1.379 1.00 0.00 C ATOM 149 CD2 LEU A 85 3.249 2.957 0.980 1.00 0.00 C ATOM 0 H LEU A 85 0.585 5.810 3.744 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.336 3.189 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.923 4.333 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.274 4.605 2.778 1.00 0.00 H new ATOM 0 HG LEU A 85 2.634 2.101 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.634 0.778 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.399 1.407 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.642 2.178 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.716 2.040 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.804 3.491 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.002 3.587 1.452 1.00 0.00 H new ATOM 161 N ILE A 86 2.226 3.439 5.477 1.00 0.00 N ATOM 162 CA ILE A 86 2.944 2.730 6.530 1.00 0.00 C ATOM 163 C ILE A 86 1.984 2.265 7.625 1.00 0.00 C ATOM 164 O ILE A 86 2.108 1.156 8.142 1.00 0.00 O ATOM 165 CB ILE A 86 4.052 3.617 7.148 1.00 0.00 C ATOM 166 CG1 ILE A 86 5.021 4.083 6.061 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.807 2.868 8.239 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.770 5.349 6.420 1.00 0.00 C ATOM 0 H ILE A 86 2.544 4.395 5.319 1.00 0.00 H new ATOM 0 HA ILE A 86 3.412 1.857 6.075 1.00 0.00 H new ATOM 0 HB ILE A 86 3.578 4.488 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.741 3.289 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.466 4.248 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.579 3.514 8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.113 2.577 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.269 1.977 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.439 5.620 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.058 6.157 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.353 5.182 7.326 1.00 0.00 H new ATOM 180 N GLU A 87 1.027 3.120 7.969 1.00 0.00 N ATOM 181 CA GLU A 87 0.045 2.794 8.997 1.00 0.00 C ATOM 182 C GLU A 87 -0.908 1.706 8.508 1.00 0.00 C ATOM 183 O GLU A 87 -1.229 0.767 9.241 1.00 0.00 O ATOM 184 CB GLU A 87 -0.746 4.043 9.391 1.00 0.00 C ATOM 185 CG GLU A 87 -1.233 4.028 10.830 1.00 0.00 C ATOM 186 CD GLU A 87 -2.252 5.114 11.111 1.00 0.00 C ATOM 187 OE1 GLU A 87 -1.842 6.279 11.299 1.00 0.00 O ATOM 188 OE2 GLU A 87 -3.461 4.801 11.142 1.00 0.00 O1- ATOM 0 H GLU A 87 0.910 4.043 7.552 1.00 0.00 H new ATOM 0 HA GLU A 87 0.578 2.421 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.120 4.922 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.605 4.143 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.673 3.056 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.382 4.152 11.499 1.00 0.00 H new ATOM 195 N ALA A 88 -1.350 1.839 7.263 1.00 0.00 N ATOM 196 CA ALA A 88 -2.262 0.871 6.668 1.00 0.00 C ATOM 197 C ALA A 88 -1.635 -0.517 6.626 1.00 0.00 C ATOM 198 O ALA A 88 -2.270 -1.507 6.989 1.00 0.00 O ATOM 199 CB ALA A 88 -2.658 1.314 5.267 1.00 0.00 C ATOM 0 H ALA A 88 -1.091 2.609 6.646 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.156 0.820 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.340 0.582 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.152 2.284 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.767 1.393 4.645 1.00 0.00 H new ATOM 205 N PHE A 89 -0.383 -0.582 6.186 1.00 0.00 N ATOM 206 CA PHE A 89 0.327 -1.852 6.103 1.00 0.00 C ATOM 207 C PHE A 89 0.610 -2.399 7.491 1.00 0.00 C ATOM 208 O PHE A 89 0.567 -3.608 7.718 1.00 0.00 O ATOM 209 CB PHE A 89 1.629 -1.699 5.312 1.00 0.00 C ATOM 210 CG PHE A 89 1.467 -1.945 3.838 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.731 -3.027 3.377 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.052 -1.097 2.912 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.582 -3.256 2.022 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.906 -1.320 1.557 1.00 0.00 C ATOM 215 CZ PHE A 89 1.171 -2.401 1.111 1.00 0.00 C ATOM 0 H PHE A 89 0.159 0.227 5.882 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.311 -2.561 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.021 -0.693 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.370 -2.393 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.269 -3.699 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.630 -0.251 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.006 -4.102 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.366 -0.649 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.057 -2.577 0.052 1.00 0.00 H new ATOM 225 N LYS A 90 0.890 -1.496 8.420 1.00 0.00 N ATOM 226 CA LYS A 90 1.171 -1.871 9.807 1.00 0.00 C ATOM 227 C LYS A 90 0.049 -2.744 10.362 1.00 0.00 C ATOM 228 O LYS A 90 0.291 -3.679 11.126 1.00 0.00 O ATOM 229 CB LYS A 90 1.336 -0.621 10.676 1.00 0.00 C ATOM 230 CG LYS A 90 2.082 -0.877 11.975 1.00 0.00 C ATOM 231 CD LYS A 90 2.139 0.373 12.840 1.00 0.00 C ATOM 232 CE LYS A 90 3.489 0.513 13.525 1.00 0.00 C ATOM 233 NZ LYS A 90 3.456 1.519 14.623 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.930 -0.493 8.241 1.00 0.00 H new ATOM 0 HA LYS A 90 2.101 -2.439 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.868 0.140 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.351 -0.216 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.591 -1.680 12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.095 -1.214 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.949 1.252 12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.350 0.333 13.591 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.793 -0.453 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.240 0.803 12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.396 1.583 15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.191 2.447 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.758 1.230 15.338 1.00 0.00 H new ATOM 247 N VAL A 91 -1.177 -2.435 9.953 1.00 0.00 N ATOM 248 CA VAL A 91 -2.343 -3.193 10.387 1.00 0.00 C ATOM 249 C VAL A 91 -2.346 -4.594 9.778 1.00 0.00 C ATOM 250 O VAL A 91 -2.914 -5.527 10.347 1.00 0.00 O ATOM 251 CB VAL A 91 -3.652 -2.480 9.998 1.00 0.00 C ATOM 252 CG1 VAL A 91 -4.850 -3.182 10.621 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.604 -1.014 10.406 1.00 0.00 C ATOM 0 H VAL A 91 -1.388 -1.663 9.320 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.284 -3.269 11.473 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.762 -2.525 8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.765 -2.663 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.891 -4.213 10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.753 -3.173 11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.537 -0.527 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.469 -0.941 11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.771 -0.523 9.902 1.00 0.00 H new ATOM 263 N PHE A 92 -1.712 -4.736 8.614 1.00 0.00 N ATOM 264 CA PHE A 92 -1.648 -6.022 7.928 1.00 0.00 C ATOM 265 C PHE A 92 -0.303 -6.704 8.161 1.00 0.00 C ATOM 266 O PHE A 92 0.169 -7.465 7.318 1.00 0.00 O ATOM 267 CB PHE A 92 -1.879 -5.834 6.428 1.00 0.00 C ATOM 268 CG PHE A 92 -3.282 -5.430 6.078 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.351 -6.260 6.376 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.532 -4.221 5.449 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.643 -5.892 6.053 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.822 -3.848 5.123 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.878 -4.684 5.426 1.00 0.00 C ATOM 0 H PHE A 92 -1.236 -3.976 8.128 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.432 -6.659 8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.189 -5.077 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.639 -6.764 5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.172 -7.205 6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.709 -3.563 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.468 -6.548 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.004 -2.904 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.887 -4.394 5.173 1.00 0.00 H new ATOM 352 N GLY A 98 7.736 -5.695 10.207 1.00 0.00 N ATOM 353 CA GLY A 98 7.129 -4.833 9.209 1.00 0.00 C ATOM 354 C GLY A 98 7.099 -5.467 7.832 1.00 0.00 C ATOM 355 O GLY A 98 7.445 -4.826 6.839 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.112 -4.589 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.681 -3.894 9.161 1.00 0.00 H new ATOM 359 N LEU A 99 6.684 -6.729 7.773 1.00 0.00 N ATOM 360 CA LEU A 99 6.611 -7.452 6.508 1.00 0.00 C ATOM 361 C LEU A 99 5.171 -7.827 6.174 1.00 0.00 C ATOM 362 O LEU A 99 4.341 -8.005 7.066 1.00 0.00 O ATOM 363 CB LEU A 99 7.477 -8.711 6.568 1.00 0.00 C ATOM 364 CG LEU A 99 8.972 -8.457 6.767 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.662 -9.713 7.276 1.00 0.00 C ATOM 366 CD2 LEU A 99 9.609 -7.982 5.470 1.00 0.00 C ATOM 0 H LEU A 99 6.393 -7.272 8.586 1.00 0.00 H new ATOM 0 HA LEU A 99 6.986 -6.796 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.119 -9.342 7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.339 -9.273 5.645 1.00 0.00 H new ATOM 0 HG LEU A 99 9.093 -7.673 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.725 -9.514 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.223 -10.008 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.533 -10.518 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.673 -7.806 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.479 -8.743 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.133 -7.056 5.148 1.00 0.00 H new ATOM 378 N ILE A 100 4.885 -7.947 4.882 1.00 0.00 N ATOM 379 CA ILE A 100 3.550 -8.303 4.421 1.00 0.00 C ATOM 380 C ILE A 100 3.621 -9.310 3.275 1.00 0.00 C ATOM 381 O ILE A 100 4.212 -9.038 2.230 1.00 0.00 O ATOM 382 CB ILE A 100 2.759 -7.055 3.967 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.322 -7.436 3.605 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.446 -6.373 2.789 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.351 -6.278 3.687 1.00 0.00 C ATOM 0 H ILE A 100 5.563 -7.802 4.134 1.00 0.00 H new ATOM 0 HA ILE A 100 3.028 -8.757 5.263 1.00 0.00 H new ATOM 0 HB ILE A 100 2.732 -6.349 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.306 -7.842 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.986 -8.230 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.870 -5.498 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.449 -6.064 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.511 -7.069 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.648 -6.621 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.338 -5.886 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.663 -5.492 2.999 1.00 0.00 H new ATOM 397 N SER A 101 3.019 -10.477 3.482 1.00 0.00 N ATOM 398 CA SER A 101 3.017 -11.525 2.469 1.00 0.00 C ATOM 399 C SER A 101 2.254 -11.078 1.226 1.00 0.00 C ATOM 400 O SER A 101 1.131 -10.580 1.319 1.00 0.00 O ATOM 401 CB SER A 101 2.397 -12.806 3.033 1.00 0.00 C ATOM 402 OG SER A 101 2.028 -13.697 1.994 1.00 0.00 O ATOM 0 H SER A 101 2.527 -10.720 4.342 1.00 0.00 H new ATOM 0 HA SER A 101 4.050 -11.725 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.108 -13.295 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.520 -12.556 3.630 1.00 0.00 H new ATOM 0 HG SER A 101 1.636 -14.507 2.382 1.00 0.00 H new ATOM 408 N ALA A 102 2.870 -11.257 0.062 1.00 0.00 N ATOM 409 CA ALA A 102 2.249 -10.871 -1.200 1.00 0.00 C ATOM 410 C ALA A 102 1.097 -11.803 -1.560 1.00 0.00 C ATOM 411 O ALA A 102 0.124 -11.388 -2.189 1.00 0.00 O ATOM 412 CB ALA A 102 3.288 -10.855 -2.314 1.00 0.00 C ATOM 0 H ALA A 102 3.799 -11.667 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 102 1.840 -9.867 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.812 -10.565 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.073 -10.139 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.723 -11.849 -2.420 1.00 0.00 H new ATOM 418 N ALA A 103 1.215 -13.065 -1.161 1.00 0.00 N ATOM 419 CA ALA A 103 0.184 -14.057 -1.446 1.00 0.00 C ATOM 420 C ALA A 103 -1.156 -13.649 -0.844 1.00 0.00 C ATOM 421 O ALA A 103 -2.172 -13.601 -1.538 1.00 0.00 O ATOM 422 CB ALA A 103 0.607 -15.421 -0.923 1.00 0.00 C ATOM 0 H ALA A 103 2.014 -13.425 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 103 0.061 -14.116 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.171 -16.152 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.536 -15.724 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.760 -15.366 0.155 1.00 0.00 H new ATOM 428 N GLU A 104 -1.152 -13.360 0.453 1.00 0.00 N ATOM 429 CA GLU A 104 -2.367 -12.958 1.154 1.00 0.00 C ATOM 430 C GLU A 104 -2.723 -11.508 0.849 1.00 0.00 C ATOM 431 O GLU A 104 -3.891 -11.166 0.678 1.00 0.00 O ATOM 432 CB GLU A 104 -2.189 -13.136 2.661 1.00 0.00 C ATOM 433 CG GLU A 104 -1.098 -12.261 3.251 1.00 0.00 C ATOM 434 CD GLU A 104 -0.740 -12.655 4.670 1.00 0.00 C ATOM 435 OE1 GLU A 104 -0.543 -13.862 4.920 1.00 0.00 O ATOM 436 OE2 GLU A 104 -0.658 -11.755 5.534 1.00 0.00 O1- ATOM 0 H GLU A 104 -0.320 -13.397 1.041 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.181 -13.594 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.132 -12.912 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.959 -14.181 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.208 -12.324 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.424 -11.221 3.238 1.00 0.00 H new ATOM 443 N LEU A 105 -1.701 -10.659 0.788 1.00 0.00 N ATOM 444 CA LEU A 105 -1.889 -9.234 0.515 1.00 0.00 C ATOM 445 C LEU A 105 -2.722 -9.010 -0.747 1.00 0.00 C ATOM 446 O LEU A 105 -3.543 -8.093 -0.803 1.00 0.00 O ATOM 447 CB LEU A 105 -0.529 -8.541 0.373 1.00 0.00 C ATOM 448 CG LEU A 105 -0.581 -7.069 -0.048 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.520 -6.283 0.853 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.813 -6.461 -0.029 1.00 0.00 C ATOM 0 H LEU A 105 -0.728 -10.934 0.925 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.431 -8.802 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.004 -8.610 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.064 -9.090 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.966 -7.018 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.541 -5.240 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.524 -6.703 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.169 -6.341 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.758 -5.415 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.225 -6.527 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.457 -7.005 -0.721 1.00 0.00 H new ATOM 462 N ARG A 106 -2.509 -9.844 -1.757 1.00 0.00 N ATOM 463 CA ARG A 106 -3.246 -9.721 -3.008 1.00 0.00 C ATOM 464 C ARG A 106 -4.738 -9.944 -2.785 1.00 0.00 C ATOM 465 O ARG A 106 -5.562 -9.131 -3.196 1.00 0.00 O ATOM 466 CB ARG A 106 -2.722 -10.718 -4.042 1.00 0.00 C ATOM 467 CG ARG A 106 -3.413 -10.608 -5.391 1.00 0.00 C ATOM 468 CD ARG A 106 -2.982 -11.720 -6.337 1.00 0.00 C ATOM 469 NE ARG A 106 -3.995 -12.768 -6.447 1.00 0.00 N ATOM 470 CZ ARG A 106 -4.069 -13.631 -7.461 1.00 0.00 C ATOM 471 NH1 ARG A 106 -3.193 -13.582 -8.460 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -5.025 -14.549 -7.476 1.00 0.00 N ATOM 0 H ARG A 106 -1.835 -10.609 -1.735 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.097 -8.709 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.652 -10.562 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.851 -11.730 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.493 -10.648 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.185 -9.641 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.785 -11.301 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.047 -12.155 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.688 -12.844 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.454 -12.879 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.260 -14.248 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.701 -14.594 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.085 -15.211 -8.250 1.00 0.00 H new ATOM 486 N HIS A 107 -5.076 -11.052 -2.133 1.00 0.00 N ATOM 487 CA HIS A 107 -6.470 -11.383 -1.861 1.00 0.00 C ATOM 488 C HIS A 107 -7.114 -10.356 -0.934 1.00 0.00 C ATOM 489 O HIS A 107 -8.255 -9.951 -1.142 1.00 0.00 O ATOM 490 CB HIS A 107 -6.570 -12.779 -1.241 1.00 0.00 C ATOM 491 CG HIS A 107 -7.978 -13.219 -0.980 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.917 -12.732 -0.133 1.00 0.00 N flip ATOM 493 CD2 HIS A 107 -8.568 -14.284 -1.630 1.00 0.00 C flip ATOM 494 CE1 HIS A 107 -10.042 -13.503 -0.286 1.00 0.00 C flip ATOM 495 NE2 HIS A 107 -9.807 -14.431 -1.195 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.404 -11.735 -1.784 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.008 -11.369 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.091 -13.498 -1.905 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.014 -12.792 -0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.091 -14.901 -2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.970 -13.372 0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.469 -15.141 -1.508 1.00 0.00 H new ATOM 504 N VAL A 108 -6.379 -9.945 0.093 1.00 0.00 N ATOM 505 CA VAL A 108 -6.882 -8.971 1.060 1.00 0.00 C ATOM 506 C VAL A 108 -7.364 -7.690 0.375 1.00 0.00 C ATOM 507 O VAL A 108 -8.547 -7.348 0.430 1.00 0.00 O ATOM 508 CB VAL A 108 -5.797 -8.607 2.097 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.359 -7.695 3.179 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.193 -9.865 2.711 1.00 0.00 C ATOM 0 H VAL A 108 -5.431 -10.271 0.279 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.726 -9.440 1.565 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.005 -8.066 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.574 -7.454 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.729 -6.776 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.177 -8.201 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.431 -9.585 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.975 -10.439 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.740 -10.471 1.927 1.00 0.00 H new ATOM 520 N MET A 109 -6.434 -6.980 -0.249 1.00 0.00 N ATOM 521 CA MET A 109 -6.747 -5.727 -0.926 1.00 0.00 C ATOM 522 C MET A 109 -7.763 -5.919 -2.056 1.00 0.00 C ATOM 523 O MET A 109 -8.731 -5.167 -2.159 1.00 0.00 O ATOM 524 CB MET A 109 -5.459 -5.095 -1.467 1.00 0.00 C ATOM 525 CG MET A 109 -5.084 -3.791 -0.773 1.00 0.00 C ATOM 526 SD MET A 109 -3.635 -3.948 0.290 1.00 0.00 S ATOM 527 CE MET A 109 -4.398 -4.420 1.841 1.00 0.00 C ATOM 0 H MET A 109 -5.452 -7.251 -0.301 1.00 0.00 H new ATOM 0 HA MET A 109 -7.203 -5.059 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.640 -5.806 -1.355 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.576 -4.909 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.894 -3.027 -1.527 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.929 -3.447 -0.177 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.739 -5.102 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.572 -3.530 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.348 -4.916 1.643 1.00 0.00 H new ATOM 537 N THR A 110 -7.533 -6.914 -2.908 1.00 0.00 N ATOM 538 CA THR A 110 -8.430 -7.173 -4.034 1.00 0.00 C ATOM 539 C THR A 110 -9.823 -7.577 -3.566 1.00 0.00 C ATOM 540 O THR A 110 -10.817 -7.274 -4.225 1.00 0.00 O ATOM 541 CB THR A 110 -7.853 -8.255 -4.945 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.763 -9.494 -4.265 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.478 -7.912 -5.475 1.00 0.00 C ATOM 0 H THR A 110 -6.739 -7.551 -2.843 1.00 0.00 H new ATOM 0 HA THR A 110 -8.520 -6.243 -4.595 1.00 0.00 H new ATOM 0 HB THR A 110 -8.542 -8.325 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.174 -9.399 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.123 -8.720 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.530 -6.988 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.789 -7.781 -4.641 1.00 0.00 H new ATOM 551 N ASN A 111 -9.894 -8.262 -2.433 1.00 0.00 N ATOM 552 CA ASN A 111 -11.176 -8.701 -1.898 1.00 0.00 C ATOM 553 C ASN A 111 -11.938 -7.547 -1.249 1.00 0.00 C ATOM 554 O ASN A 111 -13.152 -7.631 -1.063 1.00 0.00 O ATOM 555 CB ASN A 111 -10.975 -9.827 -0.881 1.00 0.00 C ATOM 556 CG ASN A 111 -12.289 -10.427 -0.417 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.349 -10.131 -0.968 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.224 -11.274 0.604 1.00 0.00 N ATOM 0 H ASN A 111 -9.085 -8.524 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.769 -9.073 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.358 -10.608 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.430 -9.442 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.075 -11.708 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.323 -11.490 1.030 1.00 0.00 H new ATOM 565 N LEU A 112 -11.231 -6.473 -0.890 1.00 0.00 N ATOM 566 CA LEU A 112 -11.873 -5.328 -0.251 1.00 0.00 C ATOM 567 C LEU A 112 -11.755 -4.049 -1.086 1.00 0.00 C ATOM 568 O LEU A 112 -11.210 -4.048 -2.207 1.00 0.00 O ATOM 569 CB LEU A 112 -11.293 -5.113 1.155 1.00 0.00 C ATOM 570 CG LEU A 112 -9.947 -4.376 1.218 1.00 0.00 C ATOM 571 CD1 LEU A 112 -10.153 -2.898 1.540 1.00 0.00 C ATOM 572 CD2 LEU A 112 -9.022 -5.028 2.239 1.00 0.00 C ATOM 0 H LEU A 112 -10.225 -6.375 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.936 -5.555 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.019 -4.555 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.175 -6.086 1.632 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.475 -4.447 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.186 -2.396 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.769 -2.439 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.651 -2.802 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.074 -4.490 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.487 -4.996 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.842 -6.065 1.957 1.00 0.00 H new ATOM 584 N GLY A 113 -12.293 -2.964 -0.522 1.00 0.00 N ATOM 585 CA GLY A 113 -12.276 -1.676 -1.183 1.00 0.00 C ATOM 586 C GLY A 113 -13.170 -1.663 -2.395 1.00 0.00 C ATOM 587 O GLY A 113 -14.325 -2.084 -2.329 1.00 0.00 O ATOM 0 H GLY A 113 -12.744 -2.962 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.598 -0.904 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.256 -1.432 -1.480 1.00 0.00 H new ATOM 591 N GLU A 114 -12.631 -1.210 -3.514 1.00 0.00 N ATOM 592 CA GLU A 114 -13.386 -1.181 -4.757 1.00 0.00 C ATOM 593 C GLU A 114 -13.011 -2.390 -5.601 1.00 0.00 C ATOM 594 O GLU A 114 -12.853 -2.290 -6.819 1.00 0.00 O ATOM 595 CB GLU A 114 -13.113 0.113 -5.526 1.00 0.00 C ATOM 596 CG GLU A 114 -11.650 0.312 -5.885 1.00 0.00 C ATOM 597 CD GLU A 114 -11.172 1.728 -5.629 1.00 0.00 C ATOM 598 OE1 GLU A 114 -11.741 2.664 -6.229 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.232 1.902 -4.826 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.677 -0.858 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.451 -1.216 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.706 0.114 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.450 0.959 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.041 -0.383 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.502 0.067 -6.937 1.00 0.00 H new ATOM 606 N LYS A 115 -12.841 -3.534 -4.934 1.00 0.00 N ATOM 607 CA LYS A 115 -12.453 -4.765 -5.606 1.00 0.00 C ATOM 608 C LYS A 115 -11.110 -4.565 -6.293 1.00 0.00 C ATOM 609 O LYS A 115 -10.997 -4.678 -7.514 1.00 0.00 O ATOM 610 CB LYS A 115 -13.521 -5.186 -6.620 1.00 0.00 C ATOM 611 CG LYS A 115 -14.801 -5.699 -5.979 1.00 0.00 C ATOM 612 CD LYS A 115 -14.529 -6.856 -5.030 1.00 0.00 C ATOM 613 CE LYS A 115 -15.820 -7.474 -4.518 1.00 0.00 C ATOM 614 NZ LYS A 115 -16.333 -8.530 -5.435 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.968 -3.628 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.361 -5.561 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.760 -4.335 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.111 -5.963 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.286 -4.888 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.494 -6.021 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.939 -7.616 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.934 -6.504 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.650 -7.902 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.574 -6.696 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.214 -8.926 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.519 -8.117 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.624 -9.286 -5.525 1.00 0.00 H new ATOM 628 N LEU A 116 -10.086 -4.239 -5.495 1.00 0.00 N ATOM 629 CA LEU A 116 -8.740 -3.991 -6.033 1.00 0.00 C ATOM 630 C LEU A 116 -8.324 -5.050 -7.060 1.00 0.00 C ATOM 631 O LEU A 116 -8.446 -6.251 -6.820 1.00 0.00 O ATOM 632 CB LEU A 116 -7.710 -3.920 -4.904 1.00 0.00 C ATOM 633 CG LEU A 116 -6.687 -2.793 -5.042 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.700 -2.828 -3.888 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.958 -2.898 -6.371 1.00 0.00 C ATOM 0 H LEU A 116 -10.161 -4.141 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.775 -3.030 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.237 -3.800 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.179 -4.870 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.216 -1.840 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.978 -2.019 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.236 -2.706 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.176 -3.784 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.233 -2.088 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.440 -3.856 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.677 -2.826 -7.187 1.00 0.00 H new ATOM 647 N THR A 117 -7.844 -4.586 -8.210 1.00 0.00 N ATOM 648 CA THR A 117 -7.419 -5.480 -9.282 1.00 0.00 C ATOM 649 C THR A 117 -6.068 -6.115 -8.974 1.00 0.00 C ATOM 650 O THR A 117 -5.271 -5.569 -8.210 1.00 0.00 O ATOM 651 CB THR A 117 -7.344 -4.716 -10.605 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.280 -3.781 -10.585 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.614 -3.961 -10.933 1.00 0.00 C ATOM 0 H THR A 117 -7.740 -3.594 -8.424 1.00 0.00 H new ATOM 0 HA THR A 117 -8.157 -6.277 -9.364 1.00 0.00 H new ATOM 0 HB THR A 117 -7.186 -5.477 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.248 -3.304 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.493 -3.441 -11.884 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.446 -4.662 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.819 -3.235 -10.146 1.00 0.00 H new ATOM 661 N ASP A 118 -5.819 -7.273 -9.577 1.00 0.00 N ATOM 662 CA ASP A 118 -4.566 -7.989 -9.374 1.00 0.00 C ATOM 663 C ASP A 118 -3.400 -7.234 -10.000 1.00 0.00 C ATOM 664 O ASP A 118 -2.270 -7.304 -9.516 1.00 0.00 O ATOM 665 CB ASP A 118 -4.655 -9.396 -9.970 1.00 0.00 C ATOM 666 CG ASP A 118 -5.747 -10.228 -9.326 1.00 0.00 C ATOM 667 OD1 ASP A 118 -5.570 -10.640 -8.160 1.00 0.00 O ATOM 668 OD2 ASP A 118 -6.778 -10.469 -9.989 1.00 0.00 O1- ATOM 0 H ASP A 118 -6.470 -7.736 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.392 -8.066 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.842 -9.323 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.697 -9.901 -9.847 1.00 0.00 H new ATOM 673 N ASP A 119 -3.678 -6.511 -11.079 1.00 0.00 N ATOM 674 CA ASP A 119 -2.649 -5.742 -11.769 1.00 0.00 C ATOM 675 C ASP A 119 -2.095 -4.647 -10.864 1.00 0.00 C ATOM 676 O ASP A 119 -0.892 -4.389 -10.850 1.00 0.00 O ATOM 677 CB ASP A 119 -3.215 -5.123 -13.048 1.00 0.00 C ATOM 678 CG ASP A 119 -2.130 -4.733 -14.032 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.044 -4.309 -13.581 1.00 0.00 O ATOM 680 OD2 ASP A 119 -2.363 -4.853 -15.253 1.00 0.00 O1- ATOM 0 H ASP A 119 -4.607 -6.441 -11.495 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.837 -6.420 -12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -3.893 -5.832 -13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.803 -4.242 -12.792 1.00 0.00 H new ATOM 685 N GLU A 120 -2.981 -4.008 -10.108 1.00 0.00 N ATOM 686 CA GLU A 120 -2.582 -2.942 -9.197 1.00 0.00 C ATOM 687 C GLU A 120 -1.728 -3.492 -8.059 1.00 0.00 C ATOM 688 O GLU A 120 -0.628 -3.004 -7.804 1.00 0.00 O ATOM 689 CB GLU A 120 -3.816 -2.235 -8.632 1.00 0.00 C ATOM 690 CG GLU A 120 -4.276 -1.051 -9.469 1.00 0.00 C ATOM 691 CD GLU A 120 -4.620 0.162 -8.627 1.00 0.00 C ATOM 692 OE1 GLU A 120 -3.971 0.360 -7.578 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -5.538 0.914 -9.015 1.00 0.00 O ATOM 0 H GLU A 120 -3.981 -4.210 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.987 -2.222 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.632 -2.953 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.597 -1.891 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.492 -0.786 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.149 -1.342 -10.054 1.00 0.00 H new ATOM 700 N VAL A 121 -2.241 -4.513 -7.380 1.00 0.00 N ATOM 701 CA VAL A 121 -1.523 -5.129 -6.274 1.00 0.00 C ATOM 702 C VAL A 121 -0.246 -5.803 -6.764 1.00 0.00 C ATOM 703 O VAL A 121 0.757 -5.842 -6.054 1.00 0.00 O ATOM 704 CB VAL A 121 -2.401 -6.165 -5.537 1.00 0.00 C ATOM 705 CG1 VAL A 121 -2.845 -7.266 -6.489 1.00 0.00 C ATOM 706 CG2 VAL A 121 -1.666 -6.748 -4.332 1.00 0.00 C ATOM 0 H VAL A 121 -3.151 -4.930 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.264 -4.333 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.291 -5.654 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.462 -7.985 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.423 -6.831 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.969 -7.772 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.307 -7.474 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.752 -7.240 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.414 -5.947 -3.637 1.00 0.00 H new ATOM 716 N ASP A 122 -0.291 -6.331 -7.984 1.00 0.00 N ATOM 717 CA ASP A 122 0.863 -7.005 -8.572 1.00 0.00 C ATOM 718 C ASP A 122 2.056 -6.058 -8.663 1.00 0.00 C ATOM 719 O ASP A 122 3.149 -6.375 -8.194 1.00 0.00 O ATOM 720 CB ASP A 122 0.515 -7.544 -9.959 1.00 0.00 C ATOM 721 CG ASP A 122 -0.090 -8.933 -9.903 1.00 0.00 C ATOM 722 OD1 ASP A 122 -0.582 -9.323 -8.824 1.00 0.00 O ATOM 723 OD2 ASP A 122 -0.071 -9.631 -10.939 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.115 -6.305 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 122 1.133 -7.840 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.185 -6.865 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.415 -7.567 -10.573 1.00 0.00 H new ATOM 728 N GLU A 123 1.838 -4.894 -9.265 1.00 0.00 N ATOM 729 CA GLU A 123 2.899 -3.902 -9.404 1.00 0.00 C ATOM 730 C GLU A 123 3.363 -3.429 -8.030 1.00 0.00 C ATOM 731 O GLU A 123 4.539 -3.128 -7.828 1.00 0.00 O ATOM 732 CB GLU A 123 2.411 -2.711 -10.232 1.00 0.00 C ATOM 733 CG GLU A 123 2.014 -3.082 -11.652 1.00 0.00 C ATOM 734 CD GLU A 123 3.205 -3.176 -12.584 1.00 0.00 C ATOM 735 OE1 GLU A 123 3.992 -4.136 -12.447 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 3.352 -2.290 -13.452 1.00 0.00 O ATOM 0 H GLU A 123 0.941 -4.615 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 123 3.740 -4.365 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.556 -2.256 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.197 -1.957 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.490 -4.038 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.315 -2.339 -12.036 1.00 0.00 H new ATOM 743 N MET A 124 2.426 -3.380 -7.089 1.00 0.00 N ATOM 744 CA MET A 124 2.721 -2.959 -5.726 1.00 0.00 C ATOM 745 C MET A 124 3.658 -3.961 -5.054 1.00 0.00 C ATOM 746 O MET A 124 4.715 -3.595 -4.541 1.00 0.00 O ATOM 747 CB MET A 124 1.408 -2.828 -4.935 1.00 0.00 C ATOM 748 CG MET A 124 1.585 -2.638 -3.430 1.00 0.00 C ATOM 749 SD MET A 124 0.785 -3.928 -2.455 1.00 0.00 S ATOM 750 CE MET A 124 -0.939 -3.613 -2.824 1.00 0.00 C ATOM 0 H MET A 124 1.450 -3.629 -7.248 1.00 0.00 H new ATOM 0 HA MET A 124 3.220 -1.990 -5.747 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.845 -1.983 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.806 -3.720 -5.106 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.649 -2.620 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.179 -1.668 -3.142 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.515 -3.615 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.036 -2.642 -3.310 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.317 -4.390 -3.488 1.00 0.00 H new ATOM 760 N ILE A 125 3.255 -5.225 -5.063 1.00 0.00 N ATOM 761 CA ILE A 125 4.041 -6.294 -4.461 1.00 0.00 C ATOM 762 C ILE A 125 5.315 -6.572 -5.261 1.00 0.00 C ATOM 763 O ILE A 125 6.310 -7.047 -4.714 1.00 0.00 O ATOM 764 CB ILE A 125 3.208 -7.589 -4.341 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.833 -8.123 -5.736 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.960 -7.324 -3.507 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.845 -9.273 -5.719 1.00 0.00 C ATOM 0 H ILE A 125 2.380 -5.537 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 125 4.327 -5.961 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 125 3.807 -8.351 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.413 -7.307 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.741 -8.447 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.376 -8.240 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.252 -6.990 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.359 -6.552 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.636 -9.588 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.269 -10.108 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.919 -8.951 -5.242 1.00 0.00 H new ATOM 779 N ARG A 126 5.271 -6.281 -6.557 1.00 0.00 N ATOM 780 CA ARG A 126 6.414 -6.506 -7.435 1.00 0.00 C ATOM 781 C ARG A 126 7.507 -5.469 -7.202 1.00 0.00 C ATOM 782 O ARG A 126 8.696 -5.787 -7.236 1.00 0.00 O ATOM 783 CB ARG A 126 5.971 -6.469 -8.900 1.00 0.00 C ATOM 784 CG ARG A 126 5.510 -7.815 -9.433 1.00 0.00 C ATOM 785 CD ARG A 126 5.810 -7.958 -10.917 1.00 0.00 C ATOM 786 NE ARG A 126 5.966 -9.357 -11.314 1.00 0.00 N ATOM 787 CZ ARG A 126 4.954 -10.217 -11.431 1.00 0.00 C ATOM 788 NH1 ARG A 126 3.707 -9.836 -11.179 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 5.192 -11.469 -11.800 1.00 0.00 N ATOM 0 H ARG A 126 4.454 -5.888 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 126 6.822 -7.490 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.160 -5.749 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.799 -6.110 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.005 -8.615 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.439 -7.927 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.004 -7.505 -11.495 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.721 -7.410 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 126 6.907 -9.696 -11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.515 -8.876 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.941 -10.503 -11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.147 -11.771 -11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.420 -12.130 -11.890 1.00 0.00 H new ATOM 803 N GLU A 127 7.097 -4.227 -6.975 1.00 0.00 N ATOM 804 CA GLU A 127 8.042 -3.139 -6.747 1.00 0.00 C ATOM 805 C GLU A 127 8.220 -2.826 -5.258 1.00 0.00 C ATOM 806 O GLU A 127 9.040 -1.983 -4.896 1.00 0.00 O ATOM 807 CB GLU A 127 7.578 -1.882 -7.486 1.00 0.00 C ATOM 808 CG GLU A 127 8.697 -0.890 -7.765 1.00 0.00 C ATOM 809 CD GLU A 127 9.317 -1.082 -9.134 1.00 0.00 C ATOM 810 OE1 GLU A 127 8.586 -1.468 -10.069 1.00 0.00 O1- ATOM 811 OE2 GLU A 127 10.537 -0.846 -9.271 1.00 0.00 O ATOM 0 H GLU A 127 6.117 -3.947 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 127 9.009 -3.463 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.120 -2.175 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.805 -1.389 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.306 0.125 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.469 -0.995 -7.003 1.00 0.00 H new ATOM 818 N ALA A 128 7.451 -3.492 -4.394 1.00 0.00 N ATOM 819 CA ALA A 128 7.548 -3.246 -2.959 1.00 0.00 C ATOM 820 C ALA A 128 8.857 -3.776 -2.382 1.00 0.00 C ATOM 821 O ALA A 128 9.579 -3.048 -1.699 1.00 0.00 O ATOM 822 CB ALA A 128 6.361 -3.867 -2.239 1.00 0.00 C ATOM 0 H ALA A 128 6.763 -4.197 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 128 7.535 -2.167 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.444 -3.677 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.437 -3.427 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.350 -4.942 -2.417 1.00 0.00 H new ATOM 828 N ASP A 129 9.169 -5.044 -2.657 1.00 0.00 N ATOM 829 CA ASP A 129 10.400 -5.654 -2.157 1.00 0.00 C ATOM 830 C ASP A 129 10.501 -7.117 -2.578 1.00 0.00 C ATOM 831 O ASP A 129 11.354 -7.484 -3.386 1.00 0.00 O ATOM 832 CB ASP A 129 10.472 -5.553 -0.628 1.00 0.00 C ATOM 833 CG ASP A 129 11.871 -5.240 -0.134 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.833 -5.461 -0.900 1.00 0.00 O ATOM 835 OD2 ASP A 129 12.004 -4.775 1.017 1.00 0.00 O1- ATOM 0 H ASP A 129 8.588 -5.665 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 129 11.237 -5.108 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.787 -4.778 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.136 -6.492 -0.188 1.00 0.00 H new ATOM 915 N ILE A 136 7.475 -9.048 2.183 1.00 0.00 N ATOM 916 CA ILE A 136 7.616 -7.707 1.632 1.00 0.00 C ATOM 917 C ILE A 136 7.611 -6.641 2.723 1.00 0.00 C ATOM 918 O ILE A 136 6.659 -6.533 3.494 1.00 0.00 O ATOM 919 CB ILE A 136 6.483 -7.397 0.635 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.318 -8.544 -0.364 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.755 -6.090 -0.093 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.028 -8.475 -1.152 1.00 0.00 C ATOM 0 HA ILE A 136 8.577 -7.683 1.118 1.00 0.00 H new ATOM 0 HB ILE A 136 5.553 -7.292 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.159 -8.536 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.357 -9.492 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.944 -5.888 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.821 -5.277 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.695 -6.167 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.977 -9.318 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.181 -8.514 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.996 -7.543 -1.716 1.00 0.00 H new ATOM 934 N ASN A 137 8.672 -5.842 2.772 1.00 0.00 N ATOM 935 CA ASN A 137 8.776 -4.772 3.756 1.00 0.00 C ATOM 936 C ASN A 137 8.062 -3.523 3.248 1.00 0.00 C ATOM 937 O ASN A 137 8.288 -3.088 2.119 1.00 0.00 O ATOM 938 CB ASN A 137 10.246 -4.461 4.054 1.00 0.00 C ATOM 939 CG ASN A 137 10.713 -5.073 5.359 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.909 -5.364 6.245 1.00 0.00 O ATOM 941 ND2 ASN A 137 12.020 -5.272 5.485 1.00 0.00 N ATOM 0 H ASN A 137 9.471 -5.916 2.142 1.00 0.00 H new ATOM 0 HA ASN A 137 8.299 -5.098 4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.866 -4.834 3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.385 -3.381 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.393 -5.681 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.650 -5.016 4.725 1.00 0.00 H new ATOM 948 N TYR A 138 7.190 -2.956 4.077 1.00 0.00 N ATOM 949 CA TYR A 138 6.441 -1.765 3.685 1.00 0.00 C ATOM 950 C TYR A 138 7.268 -0.483 3.818 1.00 0.00 C ATOM 951 O TYR A 138 6.761 0.606 3.553 1.00 0.00 O ATOM 952 CB TYR A 138 5.154 -1.640 4.504 1.00 0.00 C ATOM 953 CG TYR A 138 5.341 -1.856 5.986 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.197 -1.050 6.724 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.658 -2.867 6.648 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.368 -1.247 8.079 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.822 -3.069 8.003 1.00 0.00 C ATOM 958 CZ TYR A 138 5.680 -2.257 8.715 1.00 0.00 C ATOM 959 OH TYR A 138 5.847 -2.454 10.066 1.00 0.00 O ATOM 0 H TYR A 138 6.985 -3.298 5.016 1.00 0.00 H new ATOM 0 HA TYR A 138 6.190 -1.887 2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.729 -0.649 4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.428 -2.363 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.738 -0.256 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.987 -3.506 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.039 -0.612 8.639 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.281 -3.859 8.503 1.00 0.00 H new ATOM 0 HH TYR A 138 5.022 -2.819 10.448 1.00 0.00 H new ATOM 969 N GLU A 139 8.535 -0.602 4.221 1.00 0.00 N ATOM 970 CA GLU A 139 9.397 0.566 4.372 1.00 0.00 C ATOM 971 C GLU A 139 10.078 0.912 3.054 1.00 0.00 C ATOM 972 O GLU A 139 10.172 2.081 2.679 1.00 0.00 O ATOM 973 CB GLU A 139 10.450 0.313 5.453 1.00 0.00 C ATOM 974 CG GLU A 139 9.937 0.537 6.866 1.00 0.00 C ATOM 975 CD GLU A 139 10.958 0.162 7.923 1.00 0.00 C ATOM 976 OE1 GLU A 139 12.123 0.593 7.801 1.00 0.00 O1- ATOM 977 OE2 GLU A 139 10.592 -0.563 8.871 1.00 0.00 O ATOM 0 H GLU A 139 8.982 -1.491 4.447 1.00 0.00 H new ATOM 0 HA GLU A 139 8.775 1.410 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.811 -0.712 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.304 0.968 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.662 1.585 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.031 -0.050 7.017 1.00 0.00 H new ATOM 984 N GLU A 140 10.543 -0.114 2.349 1.00 0.00 N ATOM 985 CA GLU A 140 11.206 0.078 1.067 1.00 0.00 C ATOM 986 C GLU A 140 10.179 0.417 -0.004 1.00 0.00 C ATOM 987 O GLU A 140 10.437 1.225 -0.898 1.00 0.00 O ATOM 988 CB GLU A 140 11.981 -1.179 0.672 1.00 0.00 C ATOM 989 CG GLU A 140 13.370 -1.254 1.282 1.00 0.00 C ATOM 990 CD GLU A 140 14.262 -2.257 0.579 1.00 0.00 C ATOM 991 OE1 GLU A 140 14.142 -2.395 -0.657 1.00 0.00 O ATOM 992 OE2 GLU A 140 15.081 -2.906 1.263 1.00 0.00 O1- ATOM 0 H GLU A 140 10.472 -1.087 2.645 1.00 0.00 H new ATOM 0 HA GLU A 140 11.910 0.905 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.412 -2.057 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.068 -1.216 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.835 -0.269 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.286 -1.523 2.335 1.00 0.00 H new ATOM 999 N PHE A 141 9.008 -0.199 0.105 1.00 0.00 N ATOM 1000 CA PHE A 141 7.929 0.039 -0.839 1.00 0.00 C ATOM 1001 C PHE A 141 7.420 1.473 -0.700 1.00 0.00 C ATOM 1002 O PHE A 141 7.278 2.189 -1.689 1.00 0.00 O ATOM 1003 CB PHE A 141 6.795 -0.967 -0.606 1.00 0.00 C ATOM 1004 CG PHE A 141 5.569 -0.717 -1.437 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.667 -0.466 -2.797 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.317 -0.728 -0.851 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.536 -0.230 -3.554 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.184 -0.493 -1.601 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.293 -0.242 -2.956 1.00 0.00 C ATOM 0 H PHE A 141 8.784 -0.869 0.841 1.00 0.00 H new ATOM 0 HA PHE A 141 8.304 -0.096 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.165 -1.970 -0.818 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.517 -0.946 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.638 -0.455 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.225 -0.923 0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.625 -0.036 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.212 -0.505 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.407 -0.056 -3.545 1.00 0.00 H new ATOM 1019 N VAL A 142 7.163 1.892 0.537 1.00 0.00 N ATOM 1020 CA VAL A 142 6.693 3.247 0.790 1.00 0.00 C ATOM 1021 C VAL A 142 7.795 4.257 0.487 1.00 0.00 C ATOM 1022 O VAL A 142 7.528 5.370 0.035 1.00 0.00 O ATOM 1023 CB VAL A 142 6.215 3.434 2.248 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.361 3.237 3.232 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.582 4.805 2.429 1.00 0.00 C ATOM 0 H VAL A 142 7.272 1.316 1.372 1.00 0.00 H new ATOM 0 HA VAL A 142 5.842 3.417 0.130 1.00 0.00 H new ATOM 0 HB VAL A 142 5.462 2.674 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.995 3.375 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.764 2.230 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.146 3.965 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.251 4.920 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.314 5.578 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.726 4.902 1.761 1.00 0.00 H new ATOM 1035 N ARG A 143 9.041 3.856 0.741 1.00 0.00 N ATOM 1036 CA ARG A 143 10.183 4.723 0.496 1.00 0.00 C ATOM 1037 C ARG A 143 10.339 5.001 -0.994 1.00 0.00 C ATOM 1038 O ARG A 143 10.403 6.153 -1.413 1.00 0.00 O ATOM 1039 CB ARG A 143 11.463 4.089 1.046 1.00 0.00 C ATOM 1040 CG ARG A 143 12.705 4.940 0.834 1.00 0.00 C ATOM 1041 CD ARG A 143 13.924 4.334 1.512 1.00 0.00 C ATOM 1042 NE ARG A 143 14.264 5.032 2.750 1.00 0.00 N ATOM 1043 CZ ARG A 143 15.466 4.991 3.326 1.00 0.00 C ATOM 1044 NH1 ARG A 143 16.452 4.282 2.786 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 15.682 5.660 4.451 1.00 0.00 N ATOM 0 H ARG A 143 9.280 2.938 1.115 1.00 0.00 H new ATOM 0 HA ARG A 143 10.008 5.668 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.337 3.904 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.612 3.120 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 143 12.897 5.044 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.531 5.942 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 143 13.733 3.283 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 143 14.774 4.370 0.830 1.00 0.00 H new ATOM 0 HE ARG A 143 13.536 5.585 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 143 16.293 3.762 1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 143 17.368 4.257 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 143 14.930 6.204 4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 143 16.600 5.630 4.894 1.00 0.00 H new ATOM 1059 N MET A 144 10.393 3.938 -1.789 1.00 0.00 N ATOM 1060 CA MET A 144 10.539 4.073 -3.234 1.00 0.00 C ATOM 1061 C MET A 144 9.281 4.672 -3.855 1.00 0.00 C ATOM 1062 O MET A 144 9.350 5.378 -4.859 1.00 0.00 O ATOM 1063 CB MET A 144 10.852 2.717 -3.873 1.00 0.00 C ATOM 1064 CG MET A 144 9.728 1.700 -3.734 1.00 0.00 C ATOM 1065 SD MET A 144 9.114 1.101 -5.322 1.00 0.00 S ATOM 1066 CE MET A 144 7.510 1.894 -5.384 1.00 0.00 C ATOM 0 H MET A 144 10.338 2.975 -1.458 1.00 0.00 H new ATOM 0 HA MET A 144 11.372 4.750 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 144 11.067 2.865 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.755 2.311 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.083 0.854 -3.146 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.905 2.151 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.788 1.219 -5.844 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.185 2.138 -4.372 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.579 2.808 -5.973 1.00 0.00 H new ATOM 1076 N MET A 145 8.131 4.388 -3.248 1.00 0.00 N ATOM 1077 CA MET A 145 6.858 4.904 -3.743 1.00 0.00 C ATOM 1078 C MET A 145 6.866 6.429 -3.770 1.00 0.00 C ATOM 1079 O MET A 145 6.454 7.046 -4.752 1.00 0.00 O ATOM 1080 CB MET A 145 5.706 4.405 -2.868 1.00 0.00 C ATOM 1081 CG MET A 145 4.339 4.877 -3.337 1.00 0.00 C ATOM 1082 SD MET A 145 3.023 4.451 -2.181 1.00 0.00 S ATOM 1083 CE MET A 145 2.831 2.701 -2.513 1.00 0.00 C ATOM 0 H MET A 145 8.055 3.805 -2.415 1.00 0.00 H new ATOM 0 HA MET A 145 6.716 4.539 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.719 3.315 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.866 4.742 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.360 5.958 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.120 4.435 -4.309 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.025 2.300 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.591 2.555 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.760 2.182 -2.277 1.00 0.00 H new ATOM 1093 N VAL A 146 7.338 7.028 -2.683 1.00 0.00 N ATOM 1094 CA VAL A 146 7.404 8.480 -2.574 1.00 0.00 C ATOM 1095 C VAL A 146 8.762 9.006 -3.039 1.00 0.00 C ATOM 1096 O VAL A 146 8.870 10.136 -3.518 1.00 0.00 O ATOM 1097 CB VAL A 146 7.148 8.945 -1.126 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.744 8.557 -0.685 1.00 0.00 C ATOM 1099 CG2 VAL A 146 8.196 8.369 -0.178 1.00 0.00 C ATOM 0 H VAL A 146 7.682 6.529 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 146 6.624 8.884 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 146 7.229 10.031 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.579 8.892 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 146 5.013 9.027 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.633 7.474 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.995 8.711 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.156 7.280 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.187 8.704 -0.484 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.352 -3.649 9.827 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.382 -4.105 8.841 1.00 0.00 C ATOM 1233 C GLU B1905 -8.776 -3.638 7.444 1.00 0.00 C ATOM 1234 O GLU B1905 -7.946 -3.130 6.688 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.272 -5.631 8.871 1.00 0.00 C ATOM 1236 CG GLU B1905 -7.487 -6.159 10.060 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.332 -7.667 10.031 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.360 -8.372 10.097 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -6.180 -8.143 9.941 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.412 -3.675 9.091 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.274 -6.059 8.888 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -7.796 -5.971 7.951 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -6.500 -5.696 10.074 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -7.990 -5.866 10.982 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.052 -3.811 7.108 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.563 -3.406 5.802 1.00 0.00 C ATOM 1248 C GLU B1906 -10.295 -1.925 5.544 1.00 0.00 C ATOM 1249 O GLU B1906 -9.796 -1.554 4.482 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.064 -3.686 5.706 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.395 -5.126 5.352 1.00 0.00 C ATOM 1252 CD GLU B1906 -12.891 -5.922 6.544 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.858 -5.474 7.195 1.00 0.00 O ATOM 1254 OE2 GLU B1906 -12.313 -6.993 6.824 1.00 0.00 O1- ATOM 0 H GLU B1906 -10.751 -4.229 7.722 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.042 -3.989 5.043 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.532 -3.438 6.659 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.500 -3.027 4.955 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -13.155 -5.138 4.570 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -11.508 -5.608 4.942 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.625 -1.087 6.524 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.420 0.356 6.406 1.00 0.00 C ATOM 1263 C VAL B1907 -8.965 0.684 6.088 1.00 0.00 C ATOM 1264 O VAL B1907 -8.678 1.536 5.244 1.00 0.00 O ATOM 1265 CB VAL B1907 -10.826 1.089 7.699 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.801 2.595 7.490 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.198 0.630 8.165 1.00 0.00 C ATOM 0 H VAL B1907 -11.036 -1.382 7.410 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.054 0.697 5.587 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.103 0.842 8.477 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.091 3.095 8.414 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -9.795 2.907 7.208 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.499 2.864 6.698 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.467 1.159 9.079 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -12.935 0.844 7.391 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.176 -0.442 8.359 1.00 0.00 H new ATOM 1277 N SER B1908 -8.047 -0.003 6.764 1.00 0.00 N ATOM 1278 CA SER B1908 -6.619 0.209 6.549 1.00 0.00 C ATOM 1279 C SER B1908 -6.257 -0.017 5.086 1.00 0.00 C ATOM 1280 O SER B1908 -5.381 0.653 4.539 1.00 0.00 O ATOM 1281 CB SER B1908 -5.803 -0.728 7.441 1.00 0.00 C ATOM 1282 OG SER B1908 -5.697 -0.218 8.759 1.00 0.00 O ATOM 0 H SER B1908 -8.267 -0.711 7.465 1.00 0.00 H new ATOM 0 HA SER B1908 -6.383 1.241 6.810 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.273 -1.711 7.466 1.00 0.00 H new ATOM 0 HB3 SER B1908 -4.807 -0.861 7.018 1.00 0.00 H new ATOM 0 HG SER B1908 -6.325 -0.691 9.344 1.00 0.00 H new ATOM 1288 N ALA B1909 -6.947 -0.961 4.456 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.710 -1.271 3.053 1.00 0.00 C ATOM 1290 C ALA B1909 -7.319 -0.204 2.142 1.00 0.00 C ATOM 1291 O ALA B1909 -6.867 -0.009 1.014 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.265 -2.646 2.715 1.00 0.00 C ATOM 0 H ALA B1909 -7.675 -1.524 4.896 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.633 -1.278 2.884 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.081 -2.864 1.663 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.775 -3.398 3.333 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.338 -2.662 2.906 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.342 0.493 2.635 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.986 1.542 1.852 1.00 0.00 C ATOM 1300 C ILE B1910 -8.007 2.676 1.579 1.00 0.00 C ATOM 1301 O ILE B1910 -7.783 3.055 0.428 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.234 2.109 2.566 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.178 0.974 2.970 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.954 3.107 1.668 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -12.436 1.449 3.666 1.00 0.00 C ATOM 0 H ILE B1910 -8.738 0.351 3.564 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.304 1.092 0.912 1.00 0.00 H new ATOM 0 HB ILE B1910 -9.911 2.628 3.468 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.456 0.410 2.080 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -10.646 0.287 3.628 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.830 3.496 2.186 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.281 3.929 1.425 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.267 2.610 0.749 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -13.056 0.590 3.922 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.168 1.987 4.575 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -12.991 2.112 3.002 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.418 3.211 2.645 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.457 4.297 2.513 1.00 0.00 C ATOM 1319 C VAL B1911 -5.243 3.851 1.706 1.00 0.00 C ATOM 1320 O VAL B1911 -4.730 4.597 0.872 1.00 0.00 O ATOM 1321 CB VAL B1911 -5.991 4.816 3.893 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.279 3.720 4.677 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.093 6.033 3.728 1.00 0.00 C ATOM 0 H VAL B1911 -7.589 2.911 3.605 1.00 0.00 H new ATOM 0 HA VAL B1911 -6.962 5.108 1.989 1.00 0.00 H new ATOM 0 HB VAL B1911 -6.873 5.113 4.460 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -4.962 4.112 5.643 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -5.959 2.882 4.831 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.406 3.381 4.118 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.774 6.385 4.709 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.218 5.762 3.138 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.643 6.825 3.219 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.784 2.630 1.963 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.629 2.095 1.262 1.00 0.00 C ATOM 1335 C ILE B1912 -3.911 1.990 -0.240 1.00 0.00 C ATOM 1336 O ILE B1912 -3.007 2.147 -1.062 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.173 0.736 1.887 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.653 0.714 2.037 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.645 -0.493 1.107 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.154 -0.397 2.932 1.00 0.00 C ATOM 0 H ILE B1912 -5.195 1.997 2.649 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.795 2.786 1.382 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.649 0.674 2.865 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.200 0.608 1.051 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.321 1.671 2.439 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.290 -1.397 1.602 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.734 -0.504 1.070 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.248 -0.455 0.093 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.067 -0.354 2.994 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.579 -0.280 3.929 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.456 -1.360 2.520 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.173 1.750 -0.590 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.565 1.659 -1.991 1.00 0.00 C ATOM 1354 C GLN B1913 -5.381 3.022 -2.650 1.00 0.00 C ATOM 1355 O GLN B1913 -4.957 3.122 -3.802 1.00 0.00 O ATOM 1356 CB GLN B1913 -7.023 1.186 -2.119 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.159 -0.198 -2.739 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.570 -0.752 -2.643 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.541 -0.088 -3.012 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.691 -1.979 -2.149 1.00 0.00 N ATOM 0 H GLN B1913 -5.936 1.616 0.074 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.934 0.926 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.483 1.180 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.578 1.903 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.863 -0.152 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.471 -0.882 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.861 -2.495 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.614 -2.406 -2.064 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.688 4.069 -1.891 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.544 5.434 -2.375 1.00 0.00 C ATOM 1371 C ARG B1914 -4.077 5.742 -2.646 1.00 0.00 C ATOM 1372 O ARG B1914 -3.745 6.470 -3.582 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.111 6.422 -1.353 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.846 7.594 -1.981 1.00 0.00 C ATOM 1375 CD ARG B1914 -5.906 8.755 -2.264 1.00 0.00 C ATOM 1376 NE ARG B1914 -5.938 9.760 -1.202 1.00 0.00 N ATOM 1377 CZ ARG B1914 -6.858 10.720 -1.108 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -7.834 10.814 -2.004 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -6.799 11.592 -0.110 1.00 0.00 N ATOM 0 H ARG B1914 -6.039 3.996 -0.936 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.102 5.536 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.792 5.892 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.296 6.803 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -7.319 7.273 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.643 7.924 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -4.889 8.379 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -6.180 9.220 -3.211 1.00 0.00 H new ATOM 0 HE ARG B1914 -5.210 9.724 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -7.885 10.147 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -8.532 11.553 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -6.052 11.526 0.581 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -7.501 12.328 -0.034 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.201 5.173 -1.823 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.768 5.376 -1.975 1.00 0.00 C ATOM 1395 C ALA B1915 -1.293 4.845 -3.322 1.00 0.00 C ATOM 1396 O ALA B1915 -0.517 5.498 -4.019 1.00 0.00 O ATOM 1397 CB ALA B1915 -1.012 4.702 -0.839 1.00 0.00 C ATOM 0 H ALA B1915 -3.461 4.568 -1.044 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.565 6.446 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.058 4.863 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.331 5.127 0.113 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.221 3.632 -0.847 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.774 3.659 -3.687 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.408 3.044 -4.957 1.00 0.00 C ATOM 1405 C TYR B1916 -1.807 3.948 -6.117 1.00 0.00 C ATOM 1406 O TYR B1916 -1.094 4.051 -7.116 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.079 1.674 -5.097 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.890 0.769 -3.896 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.730 0.825 -3.132 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.873 -0.143 -3.528 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.556 0.002 -2.039 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.704 -0.970 -2.433 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.544 -0.893 -1.693 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.372 -1.716 -0.604 1.00 0.00 O ATOM 0 H TYR B1916 -2.418 3.106 -3.121 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.327 2.907 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.146 1.819 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.682 1.175 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.048 1.525 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.783 -0.206 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.352 0.059 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.477 -1.673 -2.159 1.00 0.00 H new ATOM 0 HH TYR B1916 -0.470 -1.594 -0.241 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.949 4.614 -5.967 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.440 5.526 -6.990 1.00 0.00 C ATOM 1426 C ARG B1917 -2.457 6.674 -7.188 1.00 0.00 C ATOM 1427 O ARG B1917 -2.182 7.086 -8.315 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.816 6.071 -6.602 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.935 5.053 -6.747 1.00 0.00 C ATOM 1430 CD ARG B1917 -7.280 5.643 -6.357 1.00 0.00 C ATOM 1431 NE ARG B1917 -7.868 6.429 -7.440 1.00 0.00 N ATOM 1432 CZ ARG B1917 -8.517 5.903 -8.479 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.671 4.587 -8.585 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -9.013 6.697 -9.417 1.00 0.00 N ATOM 0 H ARG B1917 -3.550 4.538 -5.146 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.534 4.978 -7.928 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -4.783 6.417 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -5.042 6.938 -7.222 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -5.976 4.701 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.722 4.186 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -7.962 4.839 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -7.158 6.274 -5.476 1.00 0.00 H new ATOM 0 HE ARG B1917 -7.776 7.444 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.291 3.970 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -9.169 4.195 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -8.898 7.708 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -9.510 6.297 -10.213 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.920 7.177 -6.080 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.954 8.267 -6.123 1.00 0.00 C ATOM 1450 C ARG B1918 0.398 7.760 -6.613 1.00 0.00 C ATOM 1451 O ARG B1918 1.143 8.483 -7.274 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.805 8.901 -4.739 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.201 10.296 -4.772 1.00 0.00 C ATOM 1454 CD ARG B1918 -0.707 11.158 -3.623 1.00 0.00 C ATOM 1455 NE ARG B1918 0.372 11.543 -2.714 1.00 0.00 N ATOM 1456 CZ ARG B1918 1.219 12.548 -2.941 1.00 0.00 C ATOM 1457 NH1 ARG B1918 1.122 13.278 -4.047 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 2.167 12.824 -2.056 1.00 0.00 N ATOM 0 H ARG B1918 -2.139 6.846 -5.141 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.318 9.023 -6.819 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.784 8.949 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG B1918 -0.180 8.258 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.885 10.223 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -0.444 10.775 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -1.182 12.054 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -1.471 10.613 -3.069 1.00 0.00 H new ATOM 0 HE ARG B1918 0.484 11.009 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG B1918 0.395 13.072 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG B1918 1.775 14.044 -4.211 1.00 0.00 H new ATOM 0 HH21 ARG B1918 2.247 12.268 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG B1918 2.816 13.592 -2.227 1.00 0.00 H new ATOM 1472 N TYR B1919 0.702 6.504 -6.289 1.00 0.00 N ATOM 1473 CA TYR B1919 1.957 5.885 -6.701 1.00 0.00 C ATOM 1474 C TYR B1919 2.085 5.908 -8.224 1.00 0.00 C ATOM 1475 O TYR B1919 3.018 6.497 -8.771 1.00 0.00 O ATOM 1476 CB TYR B1919 2.022 4.442 -6.173 1.00 0.00 C ATOM 1477 CG TYR B1919 3.160 3.613 -6.740 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.466 4.089 -6.736 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.921 2.359 -7.284 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.501 3.336 -7.257 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.950 1.600 -7.807 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.238 2.094 -7.791 1.00 0.00 C ATOM 1483 OH TYR B1919 6.265 1.340 -8.308 1.00 0.00 O ATOM 0 H TYR B1919 0.094 5.896 -5.741 1.00 0.00 H new ATOM 0 HA TYR B1919 2.789 6.450 -6.281 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.116 4.470 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.079 3.944 -6.399 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.675 5.063 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.914 1.970 -7.299 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.511 3.719 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.747 0.625 -8.226 1.00 0.00 H new ATOM 0 HH TYR B1919 5.910 0.490 -8.644 1.00 0.00 H new ATOM 1493 N LEU B1920 1.138 5.266 -8.897 1.00 0.00 N ATOM 1494 CA LEU B1920 1.135 5.216 -10.354 1.00 0.00 C ATOM 1495 C LEU B1920 1.010 6.620 -10.943 1.00 0.00 C ATOM 1496 O LEU B1920 1.499 6.887 -12.041 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.011 4.329 -10.848 1.00 0.00 C ATOM 1498 CG LEU B1920 0.350 2.856 -11.044 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.917 2.273 -9.760 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -0.867 2.065 -11.498 1.00 0.00 C ATOM 0 H LEU B1920 0.362 4.772 -8.457 1.00 0.00 H new ATOM 0 HA LEU B1920 2.081 4.789 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.834 4.394 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.376 4.727 -11.795 1.00 0.00 H new ATOM 0 HG LEU B1920 1.113 2.788 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU B1920 1.169 1.224 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.814 2.823 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU B1920 0.175 2.353 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.592 1.019 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.651 2.140 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.232 2.469 -12.443 1.00 0.00 H new