USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 76 LYS NZ :NH3+ 165:sc= 0.0194 (180deg=-0.161) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.0311 USER MOD Set 2.1: A 18 TYR OH : rot 150:sc= -0.299 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.17 K(o=-2.2,f=-5.7!) USER MOD Single : A 23 THR OG1 : rot -147:sc= 0.461 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 1.29 (180deg=1.17) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 29 TYR OH : rot 130:sc= 0.343 USER MOD Single : A 32 GLN : amide:sc=-0.00741 K(o=-0.0074,f=-0.71) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-4.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc=0.000408 USER MOD Single : A 79 TYR OH : rot 30:sc= -1.49! USER MOD Single : A 81 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1) USER MOD Single : A 82 HIS : no HD1:sc= 0.00653 X(o=0.0065,f=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-1.6) USER MOD Single : A 94 THR OG1 : rot 163:sc= 1.22 USER MOD Single : A 96 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -156:sc= -0.224 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -83:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.077 8.588 1.140 1.00 0.00 N ATOM 131 CA ASN A 11 -12.428 8.407 2.437 1.00 0.00 C ATOM 132 C ASN A 11 -13.449 8.298 3.557 1.00 0.00 C ATOM 133 O ASN A 11 -13.131 8.521 4.731 1.00 0.00 O ATOM 134 CB ASN A 11 -11.468 9.571 2.705 1.00 0.00 C ATOM 135 CG ASN A 11 -12.128 10.936 2.554 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.322 11.105 2.798 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.354 11.914 2.143 1.00 0.00 N ATOM 0 HA ASN A 11 -11.865 7.474 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.066 9.478 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.624 9.504 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.739 12.850 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.368 11.737 1.950 1.00 0.00 H new ATOM 144 N ALA A 12 -14.669 7.961 3.200 1.00 0.00 N ATOM 145 CA ALA A 12 -15.735 7.856 4.166 1.00 0.00 C ATOM 146 C ALA A 12 -16.170 6.413 4.371 1.00 0.00 C ATOM 147 O ALA A 12 -16.361 5.661 3.408 1.00 0.00 O ATOM 148 CB ALA A 12 -16.916 8.703 3.727 1.00 0.00 C ATOM 0 H ALA A 12 -14.946 7.754 2.240 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.359 8.224 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.717 8.619 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.606 9.745 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.274 8.354 2.758 1.00 0.00 H new ATOM 154 N VAL A 13 -16.323 6.039 5.627 1.00 0.00 N ATOM 155 CA VAL A 13 -16.809 4.716 5.987 1.00 0.00 C ATOM 156 C VAL A 13 -18.134 4.833 6.712 1.00 0.00 C ATOM 157 O VAL A 13 -18.450 5.881 7.289 1.00 0.00 O ATOM 158 CB VAL A 13 -15.818 3.955 6.903 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.543 3.627 6.162 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.523 4.762 8.163 1.00 0.00 C ATOM 0 H VAL A 13 -16.116 6.639 6.425 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.921 4.156 5.058 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.283 3.016 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.863 3.093 6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.774 3.002 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.070 4.550 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.825 4.211 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.083 5.720 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.450 4.933 8.711 1.00 0.00 H new ATOM 170 N VAL A 14 -18.907 3.777 6.671 1.00 0.00 N ATOM 171 CA VAL A 14 -20.180 3.751 7.343 1.00 0.00 C ATOM 172 C VAL A 14 -20.119 2.747 8.474 1.00 0.00 C ATOM 173 O VAL A 14 -19.994 1.539 8.239 1.00 0.00 O ATOM 174 CB VAL A 14 -21.329 3.375 6.376 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.666 3.379 7.101 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.367 4.334 5.193 1.00 0.00 C ATOM 0 H VAL A 14 -18.673 2.917 6.174 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.385 4.749 7.730 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.143 2.368 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.459 3.112 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.641 2.655 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.858 4.373 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.181 4.054 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.527 5.350 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.421 4.285 4.654 1.00 0.00 H new ATOM 186 N VAL A 15 -20.178 3.242 9.691 1.00 0.00 N ATOM 187 CA VAL A 15 -20.120 2.380 10.847 1.00 0.00 C ATOM 188 C VAL A 15 -21.454 2.423 11.585 1.00 0.00 C ATOM 189 O VAL A 15 -22.013 3.498 11.816 1.00 0.00 O ATOM 190 CB VAL A 15 -18.982 2.786 11.814 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.834 1.753 12.920 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.669 2.963 11.060 1.00 0.00 C ATOM 0 H VAL A 15 -20.266 4.236 9.904 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.915 1.368 10.496 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.241 3.742 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.030 2.052 13.592 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.767 1.682 13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.599 0.783 12.483 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.883 3.248 11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.399 2.025 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.784 3.742 10.306 1.00 0.00 H new ATOM 202 N PHE A 16 -21.958 1.257 11.926 1.00 0.00 N ATOM 203 CA PHE A 16 -23.234 1.138 12.609 1.00 0.00 C ATOM 204 C PHE A 16 -23.191 0.015 13.635 1.00 0.00 C ATOM 205 O PHE A 16 -22.286 -0.814 13.615 1.00 0.00 O ATOM 206 CB PHE A 16 -24.367 0.908 11.592 1.00 0.00 C ATOM 207 CG PHE A 16 -24.107 -0.217 10.619 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.427 -1.528 10.936 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.539 0.049 9.383 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.183 -2.550 10.038 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.294 -0.968 8.483 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.614 -2.269 8.809 1.00 0.00 C ATOM 0 H PHE A 16 -21.499 0.365 11.740 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.432 2.070 13.138 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.289 0.699 12.134 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.529 1.828 11.031 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.871 -1.753 11.894 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.285 1.065 9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.437 -3.568 10.296 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.852 -0.745 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.421 -3.066 8.107 1.00 0.00 H new ATOM 222 N GLY A 17 -24.170 -0.007 14.527 1.00 0.00 N ATOM 223 CA GLY A 17 -24.214 -1.043 15.553 1.00 0.00 C ATOM 224 C GLY A 17 -24.134 -0.475 16.956 1.00 0.00 C ATOM 225 O GLY A 17 -23.974 -1.213 17.927 1.00 0.00 O ATOM 0 H GLY A 17 -24.934 0.668 14.564 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.136 -1.615 15.448 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.389 -1.738 15.398 1.00 0.00 H new ATOM 229 N TYR A 18 -24.253 0.835 17.063 1.00 0.00 N ATOM 230 CA TYR A 18 -24.199 1.508 18.349 1.00 0.00 C ATOM 231 C TYR A 18 -25.225 2.625 18.415 1.00 0.00 C ATOM 232 O TYR A 18 -25.804 3.006 17.402 1.00 0.00 O ATOM 233 CB TYR A 18 -22.784 2.038 18.645 1.00 0.00 C ATOM 234 CG TYR A 18 -22.162 2.864 17.536 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.438 4.221 17.402 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.289 2.282 16.633 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.858 4.965 16.390 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.705 3.019 15.625 1.00 0.00 C ATOM 239 CZ TYR A 18 -20.993 4.358 15.505 1.00 0.00 C ATOM 240 OH TYR A 18 -20.411 5.093 14.497 1.00 0.00 O ATOM 0 H TYR A 18 -24.389 1.459 16.268 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.443 0.777 19.119 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.822 2.643 19.551 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.132 1.190 18.855 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.113 4.699 18.096 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.061 1.230 16.720 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.082 6.017 16.294 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.024 2.547 14.932 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.533 4.715 14.282 1.00 0.00 H new ATOM 250 N ARG A 19 -25.452 3.138 19.611 1.00 0.00 N ATOM 251 CA ARG A 19 -26.436 4.187 19.821 1.00 0.00 C ATOM 252 C ARG A 19 -25.775 5.385 20.487 1.00 0.00 C ATOM 253 O ARG A 19 -24.713 5.253 21.108 1.00 0.00 O ATOM 254 CB ARG A 19 -27.589 3.670 20.702 1.00 0.00 C ATOM 255 CG ARG A 19 -27.170 3.359 22.136 1.00 0.00 C ATOM 256 CD ARG A 19 -28.326 2.832 22.977 1.00 0.00 C ATOM 257 NE ARG A 19 -28.860 1.569 22.467 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.638 0.746 23.177 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.897 1.010 24.458 1.00 0.00 N ATOM 260 NH2 ARG A 19 -30.138 -0.347 22.613 1.00 0.00 N ATOM 0 H ARG A 19 -24.965 2.843 20.457 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.841 4.489 18.855 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.385 4.415 20.718 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -28.005 2.769 20.250 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -26.367 2.622 22.125 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.769 4.261 22.598 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -27.989 2.692 24.004 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.122 3.576 23.001 1.00 0.00 H new ATOM 0 HE ARG A 19 -28.624 1.300 21.512 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -29.501 1.841 24.898 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.491 0.381 24.998 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -29.928 -0.559 21.638 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -30.732 -0.975 23.155 1.00 0.00 H new ATOM 274 N GLU A 20 -26.393 6.540 20.354 1.00 0.00 N ATOM 275 CA GLU A 20 -25.888 7.752 20.963 1.00 0.00 C ATOM 276 C GLU A 20 -26.152 7.717 22.470 1.00 0.00 C ATOM 277 O GLU A 20 -27.186 8.195 22.944 1.00 0.00 O ATOM 278 CB GLU A 20 -26.560 8.972 20.337 1.00 0.00 C ATOM 279 CG GLU A 20 -25.962 10.301 20.761 1.00 0.00 C ATOM 280 CD GLU A 20 -26.723 11.469 20.192 1.00 0.00 C ATOM 281 OE1 GLU A 20 -26.427 11.879 19.058 1.00 0.00 O ATOM 282 OE2 GLU A 20 -27.624 11.985 20.886 1.00 0.00 O ATOM 0 H GLU A 20 -27.255 6.665 19.823 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.814 7.821 20.791 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.499 8.889 19.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -27.618 8.963 20.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -25.958 10.366 21.849 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -24.923 10.352 20.435 1.00 0.00 H new ATOM 289 N ALA A 21 -25.218 7.125 23.196 1.00 0.00 N ATOM 290 CA ALA A 21 -25.329 6.945 24.643 1.00 0.00 C ATOM 291 C ALA A 21 -24.059 6.309 25.180 1.00 0.00 C ATOM 292 O ALA A 21 -23.669 6.532 26.318 1.00 0.00 O ATOM 293 CB ALA A 21 -26.535 6.069 24.990 1.00 0.00 C ATOM 0 H ALA A 21 -24.355 6.752 22.800 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.469 7.923 25.104 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.598 5.949 26.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.446 6.542 24.624 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.421 5.091 24.522 1.00 0.00 H new ATOM 299 N ILE A 22 -23.426 5.510 24.334 1.00 0.00 N ATOM 300 CA ILE A 22 -22.181 4.827 24.670 1.00 0.00 C ATOM 301 C ILE A 22 -20.984 5.607 24.130 1.00 0.00 C ATOM 302 O ILE A 22 -19.934 5.039 23.823 1.00 0.00 O ATOM 303 CB ILE A 22 -22.171 3.385 24.089 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.378 3.399 22.552 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.237 2.530 24.769 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.116 3.103 21.759 1.00 0.00 C ATOM 0 H ILE A 22 -23.761 5.315 23.391 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.109 4.769 25.756 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.194 2.946 24.289 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.140 2.665 22.291 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -22.761 4.375 22.256 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.217 1.523 24.351 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.037 2.483 25.839 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.219 2.973 24.603 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.341 3.131 20.693 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.358 3.851 21.989 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.743 2.114 22.025 1.00 0.00 H new ATOM 318 N THR A 23 -21.145 6.916 24.077 1.00 0.00 N ATOM 319 CA THR A 23 -20.163 7.811 23.490 1.00 0.00 C ATOM 320 C THR A 23 -18.803 7.691 24.158 1.00 0.00 C ATOM 321 O THR A 23 -17.803 7.515 23.491 1.00 0.00 O ATOM 322 CB THR A 23 -20.619 9.257 23.663 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.001 9.380 23.319 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.779 10.193 22.802 1.00 0.00 C ATOM 0 H THR A 23 -21.969 7.393 24.443 1.00 0.00 H new ATOM 0 HA THR A 23 -20.075 7.534 22.439 1.00 0.00 H new ATOM 0 HB THR A 23 -20.486 9.538 24.708 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.165 10.266 22.934 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.120 11.219 22.940 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.732 10.116 23.096 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.883 9.914 21.753 1.00 0.00 H new ATOM 332 N LYS A 24 -18.800 7.731 25.472 1.00 0.00 N ATOM 333 CA LYS A 24 -17.563 7.763 26.253 1.00 0.00 C ATOM 334 C LYS A 24 -16.737 6.510 26.010 1.00 0.00 C ATOM 335 O LYS A 24 -15.512 6.566 25.903 1.00 0.00 O ATOM 336 CB LYS A 24 -17.888 7.898 27.755 1.00 0.00 C ATOM 337 CG LYS A 24 -18.494 9.246 28.189 1.00 0.00 C ATOM 338 CD LYS A 24 -19.846 9.532 27.523 1.00 0.00 C ATOM 339 CE LYS A 24 -20.574 10.666 28.201 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.929 10.891 27.629 1.00 0.00 N ATOM 0 H LYS A 24 -19.649 7.743 26.037 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.979 8.627 25.934 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.581 7.103 28.031 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.972 7.733 28.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.619 9.251 29.272 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.797 10.048 27.945 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.689 9.777 26.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -20.463 8.634 27.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -20.663 10.452 29.266 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.986 11.579 28.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.526 11.375 28.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.852 11.480 26.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -22.358 9.976 27.381 1.00 0.00 H new ATOM 354 N GLN A 25 -17.422 5.392 25.910 1.00 0.00 N ATOM 355 CA GLN A 25 -16.788 4.107 25.709 1.00 0.00 C ATOM 356 C GLN A 25 -16.098 4.017 24.349 1.00 0.00 C ATOM 357 O GLN A 25 -14.873 3.885 24.265 1.00 0.00 O ATOM 358 CB GLN A 25 -17.829 2.998 25.846 1.00 0.00 C ATOM 359 CG GLN A 25 -18.397 2.872 27.241 1.00 0.00 C ATOM 360 CD GLN A 25 -19.502 1.846 27.342 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.562 0.891 26.563 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.390 2.037 28.298 1.00 0.00 N ATOM 0 H GLN A 25 -18.440 5.348 25.966 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.018 3.988 26.471 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.643 3.187 25.147 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.377 2.049 25.560 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.596 2.603 27.930 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.780 3.842 27.560 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.304 2.840 28.921 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.163 1.382 28.414 1.00 0.00 H new ATOM 371 N ILE A 26 -16.883 4.100 23.291 1.00 0.00 N ATOM 372 CA ILE A 26 -16.370 3.935 21.948 1.00 0.00 C ATOM 373 C ILE A 26 -15.435 5.089 21.534 1.00 0.00 C ATOM 374 O ILE A 26 -14.490 4.889 20.758 1.00 0.00 O ATOM 375 CB ILE A 26 -17.531 3.748 20.940 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.057 2.964 19.733 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.129 5.084 20.512 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.183 2.460 18.861 1.00 0.00 C ATOM 0 H ILE A 26 -17.885 4.282 23.339 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.763 3.030 21.937 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.318 3.185 21.441 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.400 3.595 19.135 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.463 2.115 20.072 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.940 4.910 19.805 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.516 5.606 21.387 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.359 5.692 20.038 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.770 1.908 18.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.828 1.803 19.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.764 3.305 18.493 1.00 0.00 H new ATOM 390 N LEU A 27 -15.692 6.283 22.065 1.00 0.00 N ATOM 391 CA LEU A 27 -14.884 7.461 21.755 1.00 0.00 C ATOM 392 C LEU A 27 -13.450 7.278 22.230 1.00 0.00 C ATOM 393 O LEU A 27 -12.524 7.618 21.526 1.00 0.00 O ATOM 394 CB LEU A 27 -15.523 8.735 22.364 1.00 0.00 C ATOM 395 CG LEU A 27 -14.864 10.094 22.050 1.00 0.00 C ATOM 396 CD1 LEU A 27 -13.714 10.389 22.986 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.396 10.148 20.613 1.00 0.00 C ATOM 0 H LEU A 27 -16.458 6.461 22.715 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.857 7.584 20.672 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.560 8.781 22.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.542 8.615 23.447 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.623 10.862 22.201 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.277 11.355 22.732 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.078 10.414 24.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.957 9.611 22.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.935 11.116 20.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.667 9.357 20.438 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.248 10.010 19.947 1.00 0.00 H new ATOM 409 N ALA A 28 -13.281 6.720 23.419 1.00 0.00 N ATOM 410 CA ALA A 28 -11.949 6.515 23.985 1.00 0.00 C ATOM 411 C ALA A 28 -11.073 5.623 23.089 1.00 0.00 C ATOM 412 O ALA A 28 -9.845 5.757 23.072 1.00 0.00 O ATOM 413 CB ALA A 28 -12.061 5.919 25.381 1.00 0.00 C ATOM 0 H ALA A 28 -14.046 6.400 24.013 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.463 7.489 24.047 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.063 5.770 25.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.622 6.598 26.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.578 4.961 25.327 1.00 0.00 H new ATOM 419 N TYR A 29 -11.711 4.731 22.338 1.00 0.00 N ATOM 420 CA TYR A 29 -10.989 3.814 21.461 1.00 0.00 C ATOM 421 C TYR A 29 -10.689 4.454 20.100 1.00 0.00 C ATOM 422 O TYR A 29 -9.556 4.421 19.621 1.00 0.00 O ATOM 423 CB TYR A 29 -11.798 2.521 21.268 1.00 0.00 C ATOM 424 CG TYR A 29 -11.149 1.513 20.338 1.00 0.00 C ATOM 425 CD1 TYR A 29 -10.168 0.645 20.796 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.526 1.425 19.003 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.575 -0.276 19.951 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.940 0.512 18.152 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.967 -0.337 18.627 1.00 0.00 C ATOM 430 OH TYR A 29 -9.387 -1.255 17.780 1.00 0.00 O ATOM 0 H TYR A 29 -12.725 4.623 22.319 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.037 3.578 21.937 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.952 2.054 22.241 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.783 2.777 20.877 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.862 0.689 21.831 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.293 2.085 18.625 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.811 -0.943 20.323 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.244 0.463 17.117 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.087 -1.748 17.303 1.00 0.00 H new ATOM 440 N PHE A 30 -11.698 5.059 19.498 1.00 0.00 N ATOM 441 CA PHE A 30 -11.563 5.628 18.159 1.00 0.00 C ATOM 442 C PHE A 30 -10.977 7.032 18.165 1.00 0.00 C ATOM 443 O PHE A 30 -10.681 7.579 17.109 1.00 0.00 O ATOM 444 CB PHE A 30 -12.897 5.618 17.423 1.00 0.00 C ATOM 445 CG PHE A 30 -13.312 4.257 16.940 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.930 3.809 15.685 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.092 3.433 17.731 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.317 2.561 15.231 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.481 2.184 17.283 1.00 0.00 C ATOM 450 CZ PHE A 30 -14.093 1.746 16.032 1.00 0.00 C ATOM 0 H PHE A 30 -12.623 5.171 19.912 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.857 4.989 17.629 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.670 6.010 18.085 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.836 6.293 16.570 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.323 4.442 15.054 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.401 3.769 18.710 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.013 2.224 14.251 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.089 1.550 17.912 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.395 0.770 15.681 1.00 0.00 H new ATOM 460 N ALA A 31 -10.812 7.611 19.346 1.00 0.00 N ATOM 461 CA ALA A 31 -10.252 8.959 19.477 1.00 0.00 C ATOM 462 C ALA A 31 -8.866 9.051 18.854 1.00 0.00 C ATOM 463 O ALA A 31 -8.418 10.131 18.482 1.00 0.00 O ATOM 464 CB ALA A 31 -10.212 9.379 20.923 1.00 0.00 C ATOM 0 H ALA A 31 -11.057 7.171 20.233 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.905 9.642 18.934 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.793 10.382 20.999 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.223 9.376 21.331 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.591 8.683 21.487 1.00 0.00 H new ATOM 470 N GLN A 32 -8.191 7.901 18.748 1.00 0.00 N ATOM 471 CA GLN A 32 -6.888 7.820 18.086 1.00 0.00 C ATOM 472 C GLN A 32 -7.018 8.304 16.637 1.00 0.00 C ATOM 473 O GLN A 32 -6.053 8.770 16.030 1.00 0.00 O ATOM 474 CB GLN A 32 -6.385 6.363 18.089 1.00 0.00 C ATOM 475 CG GLN A 32 -6.003 5.809 19.463 1.00 0.00 C ATOM 476 CD GLN A 32 -4.755 6.458 20.037 1.00 0.00 C ATOM 477 OE1 GLN A 32 -3.855 6.863 19.299 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.682 6.539 21.353 1.00 0.00 N ATOM 0 H GLN A 32 -8.529 7.011 19.114 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.178 8.449 18.623 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.160 5.727 17.661 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.517 6.294 17.433 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.834 5.958 20.153 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.843 4.734 19.384 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.449 6.192 21.929 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.858 6.949 21.794 1.00 0.00 H new ATOM 487 N PHE A 33 -8.218 8.178 16.098 1.00 0.00 N ATOM 488 CA PHE A 33 -8.498 8.575 14.736 1.00 0.00 C ATOM 489 C PHE A 33 -9.342 9.851 14.707 1.00 0.00 C ATOM 490 O PHE A 33 -9.028 10.797 13.981 1.00 0.00 O ATOM 491 CB PHE A 33 -9.239 7.450 14.015 1.00 0.00 C ATOM 492 CG PHE A 33 -8.517 6.138 14.048 1.00 0.00 C ATOM 493 CD1 PHE A 33 -7.477 5.877 13.175 1.00 0.00 C ATOM 494 CD2 PHE A 33 -8.882 5.167 14.963 1.00 0.00 C ATOM 495 CE1 PHE A 33 -6.813 4.667 13.216 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.224 3.957 15.011 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.187 3.705 14.135 1.00 0.00 C ATOM 0 H PHE A 33 -9.023 7.797 16.595 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.553 8.773 14.230 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.222 7.325 14.468 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.401 7.740 12.977 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.182 6.626 12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.694 5.360 15.649 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.002 4.472 12.530 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.519 3.208 15.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.669 2.758 14.168 1.00 0.00 H new ATOM 507 N GLY A 34 -10.416 9.875 15.500 1.00 0.00 N ATOM 508 CA GLY A 34 -11.293 11.036 15.525 1.00 0.00 C ATOM 509 C GLY A 34 -12.435 10.890 16.518 1.00 0.00 C ATOM 510 O GLY A 34 -12.429 9.996 17.360 1.00 0.00 O ATOM 0 H GLY A 34 -10.692 9.115 16.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.709 11.921 15.777 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.703 11.198 14.528 1.00 0.00 H new ATOM 514 N GLU A 35 -13.414 11.781 16.413 1.00 0.00 N ATOM 515 CA GLU A 35 -14.561 11.785 17.313 1.00 0.00 C ATOM 516 C GLU A 35 -15.710 11.003 16.697 1.00 0.00 C ATOM 517 O GLU A 35 -15.751 10.816 15.484 1.00 0.00 O ATOM 518 CB GLU A 35 -14.962 13.220 17.598 1.00 0.00 C ATOM 519 CG GLU A 35 -15.944 13.400 18.735 1.00 0.00 C ATOM 520 CD GLU A 35 -16.061 14.852 19.149 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.866 15.583 18.548 1.00 0.00 O ATOM 522 OE2 GLU A 35 -15.322 15.262 20.083 1.00 0.00 O ATOM 0 H GLU A 35 -13.436 12.516 15.707 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.298 11.302 18.254 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.063 13.794 17.821 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.396 13.646 16.693 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.923 13.028 18.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.625 12.802 19.589 1.00 0.00 H new ATOM 529 N ILE A 36 -16.631 10.539 17.526 1.00 0.00 N ATOM 530 CA ILE A 36 -17.705 9.692 17.037 1.00 0.00 C ATOM 531 C ILE A 36 -19.057 10.405 16.989 1.00 0.00 C ATOM 532 O ILE A 36 -19.510 10.814 15.923 1.00 0.00 O ATOM 533 CB ILE A 36 -17.823 8.400 17.871 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.463 7.697 17.953 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.852 7.477 17.255 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.871 7.344 16.605 1.00 0.00 C ATOM 0 H ILE A 36 -16.657 10.731 18.527 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.437 9.436 16.012 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.143 8.660 18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.764 8.340 18.488 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.571 6.786 18.541 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.928 6.568 17.851 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.820 7.977 17.230 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.550 7.221 16.240 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.910 6.850 16.748 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.548 6.674 16.074 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.728 8.253 16.021 1.00 0.00 H new ATOM 548 N LEU A 37 -19.701 10.554 18.138 1.00 0.00 N ATOM 549 CA LEU A 37 -21.023 11.164 18.171 1.00 0.00 C ATOM 550 C LEU A 37 -21.191 12.135 19.351 1.00 0.00 C ATOM 551 O LEU A 37 -20.238 12.405 20.083 1.00 0.00 O ATOM 552 CB LEU A 37 -22.144 10.082 18.106 1.00 0.00 C ATOM 553 CG LEU A 37 -21.961 8.831 18.980 1.00 0.00 C ATOM 554 CD1 LEU A 37 -22.149 9.162 20.423 1.00 0.00 C ATOM 555 CD2 LEU A 37 -22.925 7.731 18.562 1.00 0.00 C ATOM 0 H LEU A 37 -19.337 10.266 19.046 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.124 11.777 17.275 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -23.086 10.554 18.384 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.243 9.759 17.070 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.943 8.469 18.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.015 8.262 21.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -21.416 9.911 20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -23.154 9.555 20.578 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.776 6.856 19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.950 8.086 18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -22.741 7.462 17.522 1.00 0.00 H new ATOM 567 N GLU A 38 -22.412 12.644 19.516 1.00 0.00 N ATOM 568 CA GLU A 38 -22.732 13.687 20.506 1.00 0.00 C ATOM 569 C GLU A 38 -22.596 13.196 21.973 1.00 0.00 C ATOM 570 O GLU A 38 -22.457 11.991 22.236 1.00 0.00 O ATOM 571 CB GLU A 38 -24.172 14.159 20.285 1.00 0.00 C ATOM 572 CG GLU A 38 -24.450 14.669 18.880 1.00 0.00 C ATOM 573 CD GLU A 38 -23.652 15.890 18.520 1.00 0.00 C ATOM 574 OE1 GLU A 38 -23.825 16.925 19.190 1.00 0.00 O ATOM 575 OE2 GLU A 38 -22.857 15.816 17.552 1.00 0.00 O ATOM 0 H GLU A 38 -23.217 12.346 18.965 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.015 14.495 20.361 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.851 13.334 20.501 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.397 14.952 20.999 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.231 13.877 18.164 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -25.512 14.898 18.788 1.00 0.00 H new ATOM 582 N ASP A 39 -22.668 14.163 22.912 1.00 0.00 N ATOM 583 CA ASP A 39 -22.615 13.933 24.360 1.00 0.00 C ATOM 584 C ASP A 39 -21.410 13.101 24.798 1.00 0.00 C ATOM 585 O ASP A 39 -21.537 11.913 25.114 1.00 0.00 O ATOM 586 CB ASP A 39 -23.904 13.303 24.861 1.00 0.00 C ATOM 587 CG ASP A 39 -25.122 14.183 24.657 1.00 0.00 C ATOM 588 OD1 ASP A 39 -25.065 15.378 25.002 1.00 0.00 O ATOM 589 OD2 ASP A 39 -26.155 13.673 24.163 1.00 0.00 O ATOM 0 H ASP A 39 -22.767 15.149 22.671 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.497 14.917 24.815 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.060 12.354 24.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.801 13.078 25.922 1.00 0.00 H new ATOM 594 N LEU A 40 -20.251 13.726 24.837 1.00 0.00 N ATOM 595 CA LEU A 40 -19.024 13.031 25.208 1.00 0.00 C ATOM 596 C LEU A 40 -18.733 13.101 26.694 1.00 0.00 C ATOM 597 O LEU A 40 -18.165 12.176 27.240 1.00 0.00 O ATOM 598 CB LEU A 40 -17.832 13.578 24.450 1.00 0.00 C ATOM 599 CG LEU A 40 -17.829 13.340 22.951 1.00 0.00 C ATOM 600 CD1 LEU A 40 -18.693 14.364 22.237 1.00 0.00 C ATOM 601 CD2 LEU A 40 -16.414 13.354 22.433 1.00 0.00 C ATOM 0 H LEU A 40 -20.127 14.714 24.617 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.186 11.987 24.942 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -17.776 14.652 24.627 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.927 13.138 24.869 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.258 12.359 22.748 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -18.674 14.172 21.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -19.718 14.292 22.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.308 15.365 22.433 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.419 13.183 21.357 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.959 14.322 22.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.839 12.568 22.923 1.00 0.00 H new ATOM 1035 N SER A 67 -17.975 17.338 12.363 1.00 0.00 N ATOM 1036 CA SER A 67 -17.774 17.601 10.947 1.00 0.00 C ATOM 1037 C SER A 67 -18.914 17.022 10.084 1.00 0.00 C ATOM 1038 O SER A 67 -19.338 17.647 9.098 1.00 0.00 O ATOM 1039 CB SER A 67 -16.411 17.049 10.494 1.00 0.00 C ATOM 1040 OG SER A 67 -16.133 17.403 9.147 1.00 0.00 O ATOM 0 HA SER A 67 -17.784 18.682 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.626 17.436 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.404 15.964 10.596 1.00 0.00 H new ATOM 0 HG SER A 67 -15.261 17.040 8.887 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.406 15.840 10.440 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.469 15.208 9.665 1.00 0.00 C ATOM 1048 C ARG A 68 -21.704 14.965 10.521 1.00 0.00 C ATOM 1049 O ARG A 68 -21.603 14.727 11.716 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.985 13.897 9.044 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.801 14.069 8.099 1.00 0.00 C ATOM 1052 CD ARG A 68 -19.166 14.969 6.927 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.030 15.213 6.035 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.445 16.408 5.858 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.849 17.467 6.555 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.452 16.539 4.985 1.00 0.00 N ATOM 0 H ARG A 68 -19.091 15.305 11.250 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.742 15.891 8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.705 13.209 9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.809 13.436 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.957 14.496 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.482 13.095 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.978 14.512 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.538 15.921 7.306 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.658 14.420 5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.608 17.374 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.399 18.372 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.134 15.731 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.008 17.447 4.851 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.869 15.015 9.885 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.147 14.864 10.585 1.00 0.00 C ATOM 1072 C GLU A 69 -24.425 13.412 10.984 1.00 0.00 C ATOM 1073 O GLU A 69 -23.826 12.478 10.447 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.291 15.423 9.732 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.493 14.713 8.401 1.00 0.00 C ATOM 1076 CD GLU A 69 -26.427 15.483 7.494 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.032 16.575 7.032 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -27.561 15.015 7.244 1.00 0.00 O ATOM 0 H GLU A 69 -22.959 15.160 8.879 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.081 15.438 11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.216 15.364 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.102 16.479 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.530 14.584 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.897 13.716 8.578 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.361 13.237 11.916 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.691 11.916 12.439 1.00 0.00 C ATOM 1087 C HIS A 70 -27.021 11.451 11.880 1.00 0.00 C ATOM 1088 O HIS A 70 -27.923 12.264 11.632 1.00 0.00 O ATOM 1089 CB HIS A 70 -25.798 11.936 13.976 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.605 12.506 14.678 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -23.362 11.920 14.654 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -24.476 13.630 15.421 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -22.518 12.662 15.350 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -23.171 13.702 15.825 1.00 0.00 N ATOM 0 H HIS A 70 -25.905 13.997 12.324 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.892 11.238 12.140 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -26.679 12.513 14.258 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -25.958 10.917 14.329 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -25.258 14.338 15.652 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -21.470 12.451 15.503 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -22.769 14.442 16.401 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.144 10.154 11.675 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.384 9.602 11.195 1.00 0.00 C ATOM 1104 C GLY A 71 -29.200 9.021 12.328 1.00 0.00 C ATOM 1105 O GLY A 71 -29.966 9.730 12.977 1.00 0.00 O ATOM 0 H GLY A 71 -26.403 9.471 11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.959 10.378 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.178 8.827 10.457 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.024 7.736 12.572 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.724 7.049 13.656 1.00 0.00 C ATOM 1111 C ARG A 72 -28.744 6.299 14.531 1.00 0.00 C ATOM 1112 O ARG A 72 -28.283 6.812 15.545 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.801 6.095 13.106 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.022 6.794 12.519 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.014 5.791 11.943 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.249 6.431 11.494 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.368 5.770 11.189 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.381 4.443 11.184 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.467 6.439 10.873 1.00 0.00 N ATOM 0 H ARG A 72 -28.398 7.138 12.033 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.224 7.803 14.264 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.353 5.466 12.337 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.127 5.434 13.909 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.510 7.387 13.292 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.707 7.486 11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -32.553 5.267 11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.249 5.041 12.698 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.256 7.447 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.534 3.924 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -36.238 3.942 10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.458 7.459 10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.322 5.934 10.640 1.00 0.00 H new ATOM 1133 N THR A 73 -28.423 5.096 14.134 1.00 0.00 N ATOM 1134 CA THR A 73 -27.490 4.277 14.862 1.00 0.00 C ATOM 1135 C THR A 73 -26.244 4.031 14.026 1.00 0.00 C ATOM 1136 O THR A 73 -25.493 3.071 14.247 1.00 0.00 O ATOM 1137 CB THR A 73 -28.140 2.957 15.255 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.890 2.434 14.146 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.057 3.145 16.455 1.00 0.00 C ATOM 0 H THR A 73 -28.802 4.656 13.295 1.00 0.00 H new ATOM 0 HA THR A 73 -27.198 4.801 15.772 1.00 0.00 H new ATOM 0 HB THR A 73 -27.355 2.252 15.527 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.305 1.584 14.403 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.511 2.190 16.719 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.478 3.518 17.300 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.839 3.862 16.206 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.032 4.918 13.068 1.00 0.00 N ATOM 1148 CA TRP A 74 -24.913 4.835 12.159 1.00 0.00 C ATOM 1149 C TRP A 74 -24.255 6.199 12.011 1.00 0.00 C ATOM 1150 O TRP A 74 -24.923 7.241 12.114 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.372 4.310 10.789 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.523 5.079 10.180 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.855 4.801 10.320 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.444 6.231 9.323 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.605 5.709 9.615 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.766 6.596 8.992 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.389 6.990 8.810 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.057 7.684 8.169 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.679 8.069 7.995 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.003 8.405 7.681 1.00 0.00 C ATOM 0 H TRP A 74 -26.640 5.720 12.902 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.182 4.137 12.568 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.527 4.338 10.101 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.664 3.265 10.893 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.258 3.985 10.901 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.624 5.722 9.563 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.365 6.739 9.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.076 7.947 7.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.871 8.663 7.594 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.195 9.252 7.039 1.00 0.00 H new ATOM 1171 N THR A 75 -22.955 6.192 11.798 1.00 0.00 N ATOM 1172 CA THR A 75 -22.198 7.413 11.623 1.00 0.00 C ATOM 1173 C THR A 75 -21.247 7.275 10.429 1.00 0.00 C ATOM 1174 O THR A 75 -20.521 6.285 10.322 1.00 0.00 O ATOM 1175 CB THR A 75 -21.377 7.729 12.896 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.246 7.750 14.036 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.671 9.077 12.779 1.00 0.00 C ATOM 0 H THR A 75 -22.395 5.341 11.742 1.00 0.00 H new ATOM 0 HA THR A 75 -22.899 8.227 11.439 1.00 0.00 H new ATOM 0 HB THR A 75 -20.622 6.952 13.013 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.724 7.949 14.841 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.103 9.270 13.689 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.994 9.060 11.925 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.411 9.865 12.640 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.272 8.242 9.522 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.349 8.229 8.400 1.00 0.00 C ATOM 1187 C LYS A 76 -19.069 8.935 8.800 1.00 0.00 C ATOM 1188 O LYS A 76 -19.035 10.163 8.924 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.966 8.880 7.146 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.063 8.815 5.919 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.733 9.416 4.691 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.686 10.937 4.703 1.00 0.00 C ATOM 1193 NZ LYS A 76 -19.308 11.451 4.473 1.00 0.00 N ATOM 0 H LYS A 76 -21.913 9.035 9.541 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.129 7.193 8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.911 8.387 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.195 9.923 7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.134 9.347 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.798 7.777 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.241 9.045 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.771 9.086 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.352 11.327 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.055 11.304 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.350 12.463 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.740 11.320 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.870 10.929 3.687 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.020 8.167 8.986 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.765 8.708 9.462 1.00 0.00 C ATOM 1209 C LEU A 77 -15.849 9.083 8.317 1.00 0.00 C ATOM 1210 O LEU A 77 -15.483 8.248 7.493 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.086 7.707 10.391 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.857 7.374 11.671 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.180 6.253 12.434 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -16.978 8.606 12.554 1.00 0.00 C ATOM 0 H LEU A 77 -18.010 7.162 8.814 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.979 9.621 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.915 6.783 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.107 8.099 10.668 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.856 7.043 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.747 6.035 13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.138 5.361 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.168 6.556 12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.529 8.352 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.983 8.961 12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.509 9.390 12.014 1.00 0.00 H new ATOM 1226 N THR A 78 -15.525 10.353 8.252 1.00 0.00 N ATOM 1227 CA THR A 78 -14.629 10.878 7.258 1.00 0.00 C ATOM 1228 C THR A 78 -13.334 11.348 7.922 1.00 0.00 C ATOM 1229 O THR A 78 -13.341 12.293 8.708 1.00 0.00 O ATOM 1230 CB THR A 78 -15.298 12.043 6.505 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.524 11.568 5.920 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.391 12.586 5.411 1.00 0.00 C ATOM 0 H THR A 78 -15.883 11.057 8.898 1.00 0.00 H new ATOM 0 HA THR A 78 -14.392 10.092 6.541 1.00 0.00 H new ATOM 0 HB THR A 78 -15.496 12.851 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.962 12.301 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.891 13.407 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.463 12.947 5.854 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.168 11.794 4.696 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.233 10.680 7.610 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.942 11.019 8.210 1.00 0.00 C ATOM 1242 C TYR A 79 -10.009 11.685 7.203 1.00 0.00 C ATOM 1243 O TYR A 79 -8.836 11.914 7.502 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.283 9.769 8.768 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.061 9.102 9.883 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.997 9.592 11.176 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.854 7.981 9.644 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.696 8.994 12.203 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.552 7.373 10.671 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.468 7.886 11.947 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.158 7.283 12.972 1.00 0.00 O ATOM 0 H TYR A 79 -12.203 9.904 6.949 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.129 11.728 9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.144 9.053 7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.291 10.029 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.388 10.459 11.384 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.924 7.582 8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.637 9.394 13.204 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.159 6.502 10.474 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.397 7.954 13.645 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.543 11.986 6.010 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.789 12.640 4.917 1.00 0.00 C ATOM 1263 C ALA A 80 -8.736 11.713 4.293 1.00 0.00 C ATOM 1264 O ALA A 80 -8.718 11.511 3.079 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.147 13.942 5.390 1.00 0.00 C ATOM 0 H ALA A 80 -11.514 11.784 5.770 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.514 12.874 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.600 14.399 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.923 14.626 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.459 13.732 6.209 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.874 11.154 5.125 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.824 10.260 4.657 1.00 0.00 C ATOM 1273 C ASN A 81 -7.359 8.869 4.458 1.00 0.00 C ATOM 1274 O ASN A 81 -8.211 8.401 5.219 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.654 10.215 5.639 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.888 11.513 5.697 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.817 12.251 4.717 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.299 11.793 6.836 1.00 0.00 N ATOM 0 H ASN A 81 -7.880 11.304 6.134 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.467 10.650 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.030 9.976 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.976 9.411 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.757 12.651 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.384 11.152 7.625 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.840 8.189 3.448 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.266 6.834 3.152 1.00 0.00 C ATOM 1287 C HIS A 82 -6.687 5.866 4.172 1.00 0.00 C ATOM 1288 O HIS A 82 -7.208 4.773 4.378 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.851 6.425 1.727 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.369 6.249 1.525 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -4.493 7.309 1.389 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -4.611 5.126 1.437 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -3.261 6.840 1.225 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -3.310 5.526 1.251 1.00 0.00 N ATOM 0 H HIS A 82 -6.124 8.555 2.821 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.354 6.797 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.351 5.491 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.211 7.180 1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.965 4.108 1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.370 7.436 1.093 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.509 4.903 1.149 1.00 0.00 H new ATOM 1302 N SER A 83 -5.600 6.278 4.803 1.00 0.00 N ATOM 1303 CA SER A 83 -4.946 5.472 5.808 1.00 0.00 C ATOM 1304 C SER A 83 -5.887 5.226 6.986 1.00 0.00 C ATOM 1305 O SER A 83 -6.122 4.086 7.376 1.00 0.00 O ATOM 1306 CB SER A 83 -3.686 6.188 6.280 1.00 0.00 C ATOM 1307 OG SER A 83 -2.920 6.615 5.168 1.00 0.00 O ATOM 0 H SER A 83 -5.151 7.178 4.631 1.00 0.00 H new ATOM 0 HA SER A 83 -4.677 4.507 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.956 7.046 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.092 5.521 6.905 1.00 0.00 H new ATOM 0 HG SER A 83 -2.114 7.075 5.483 1.00 0.00 H new ATOM 1313 N SER A 84 -6.461 6.307 7.512 1.00 0.00 N ATOM 1314 CA SER A 84 -7.401 6.226 8.619 1.00 0.00 C ATOM 1315 C SER A 84 -8.672 5.490 8.182 1.00 0.00 C ATOM 1316 O SER A 84 -9.291 4.770 8.969 1.00 0.00 O ATOM 1317 CB SER A 84 -7.735 7.625 9.109 1.00 0.00 C ATOM 1318 OG SER A 84 -6.551 8.361 9.371 1.00 0.00 O ATOM 0 H SER A 84 -6.286 7.256 7.182 1.00 0.00 H new ATOM 0 HA SER A 84 -6.946 5.666 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.334 8.144 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.339 7.564 10.014 1.00 0.00 H new ATOM 0 HG SER A 84 -6.787 9.259 9.684 1.00 0.00 H new ATOM 1324 N TYR A 85 -9.028 5.676 6.914 1.00 0.00 N ATOM 1325 CA TYR A 85 -10.183 5.019 6.302 1.00 0.00 C ATOM 1326 C TYR A 85 -10.061 3.498 6.414 1.00 0.00 C ATOM 1327 O TYR A 85 -10.983 2.821 6.865 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.256 5.445 4.819 1.00 0.00 C ATOM 1329 CG TYR A 85 -11.135 4.586 3.923 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.485 4.858 3.742 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.589 3.499 3.248 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.264 4.064 2.914 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.357 2.708 2.426 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.692 2.991 2.260 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.457 2.198 1.437 1.00 0.00 O ATOM 0 H TYR A 85 -8.521 6.290 6.277 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.094 5.317 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.618 6.472 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.245 5.445 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.933 5.698 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.541 3.272 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.313 4.284 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.913 1.868 1.913 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.899 1.489 1.055 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.914 2.978 6.018 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.652 1.571 6.072 1.00 0.00 C ATOM 1347 C LEU A 86 -8.566 1.080 7.522 1.00 0.00 C ATOM 1348 O LEU A 86 -9.005 -0.019 7.847 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.375 1.255 5.306 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.994 -0.206 5.264 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -8.014 -1.005 4.466 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.606 -0.377 4.690 1.00 0.00 C ATOM 0 H LEU A 86 -8.141 3.532 5.650 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.481 1.042 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.486 1.614 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.554 1.815 5.754 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.989 -0.589 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.721 -2.055 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.995 -0.910 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.058 -0.623 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.349 -1.436 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.579 0.024 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.887 0.158 5.311 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.989 1.903 8.383 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.811 1.549 9.791 1.00 0.00 C ATOM 1366 C ARG A 87 -9.158 1.360 10.500 1.00 0.00 C ATOM 1367 O ARG A 87 -9.298 0.484 11.358 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.993 2.622 10.507 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.590 2.810 9.944 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.718 1.582 10.152 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.341 1.411 11.554 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.940 0.263 12.097 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.856 -0.836 11.353 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -3.603 0.219 13.378 1.00 0.00 N ATOM 0 H ARG A 87 -7.633 2.826 8.134 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.275 0.601 9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.527 3.571 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.918 2.363 11.563 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.655 3.031 8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.122 3.671 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.252 0.696 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.819 1.668 9.542 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.389 2.230 12.160 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.099 -0.801 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.548 -1.713 11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.651 1.064 13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.296 -0.660 13.795 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.136 2.186 10.141 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.479 2.126 10.735 1.00 0.00 C ATOM 1390 C ALA A 88 -12.300 0.956 10.177 1.00 0.00 C ATOM 1391 O ALA A 88 -13.334 0.596 10.731 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.213 3.440 10.505 1.00 0.00 C ATOM 0 H ALA A 88 -10.027 2.914 9.435 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.359 1.961 11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.207 3.384 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.654 4.254 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.304 3.623 9.434 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.810 0.363 9.093 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.500 -0.737 8.391 1.00 0.00 C ATOM 1400 C LEU A 89 -12.550 -2.024 9.245 1.00 0.00 C ATOM 1401 O LEU A 89 -13.185 -3.004 8.866 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.792 -1.019 7.055 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.477 -2.017 6.115 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.806 -1.469 5.614 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.560 -2.363 4.951 1.00 0.00 C ATOM 0 H LEU A 89 -10.921 0.626 8.668 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.528 -0.426 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.677 -0.074 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.789 -1.387 7.271 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.683 -2.929 6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.272 -2.196 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.464 -1.279 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.635 -0.539 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.060 -3.073 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.321 -1.457 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.641 -2.808 5.332 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.854 -2.008 10.378 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.770 -3.163 11.286 1.00 0.00 C ATOM 1419 C ARG A 90 -13.155 -3.652 11.802 1.00 0.00 C ATOM 1420 O ARG A 90 -13.629 -3.245 12.865 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.822 -2.834 12.457 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.227 -1.607 13.277 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.214 -1.315 14.370 1.00 0.00 C ATOM 1424 NE ARG A 90 -8.912 -0.950 13.811 1.00 0.00 N ATOM 1425 CZ ARG A 90 -7.740 -1.206 14.396 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -7.696 -1.767 15.592 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -6.613 -0.885 13.779 1.00 0.00 N ATOM 0 H ARG A 90 -11.329 -1.195 10.699 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.366 -3.995 10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.771 -3.698 13.120 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.818 -2.676 12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.316 -0.742 12.620 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.208 -1.772 13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.581 -0.505 15.000 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.104 -2.191 15.009 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.899 -0.467 12.913 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.562 -2.008 16.075 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.796 -1.959 16.032 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.643 -0.444 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.715 -1.079 14.223 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.785 -4.522 11.021 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.079 -5.116 11.376 1.00 0.00 C ATOM 1443 C GLU A 91 -14.889 -6.574 11.814 1.00 0.00 C ATOM 1444 O GLU A 91 -15.808 -7.207 12.335 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.012 -5.064 10.161 1.00 0.00 C ATOM 1446 CG GLU A 91 -17.427 -5.534 10.449 1.00 0.00 C ATOM 1447 CD GLU A 91 -18.274 -5.650 9.202 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.280 -6.740 8.576 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -18.958 -4.678 8.852 1.00 0.00 O ATOM 0 H GLU A 91 -13.418 -4.839 10.124 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.516 -4.553 12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.049 -4.041 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.591 -5.679 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.388 -6.503 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.902 -4.838 11.141 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.680 -7.090 11.606 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.356 -8.487 11.893 1.00 0.00 C ATOM 1458 C HIS A 92 -13.562 -8.865 13.372 1.00 0.00 C ATOM 1459 O HIS A 92 -12.671 -8.700 14.209 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.922 -8.811 11.428 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.845 -7.979 12.073 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -10.645 -6.644 11.787 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -9.909 -8.304 12.995 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.632 -6.188 12.506 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -9.173 -7.173 13.243 1.00 0.00 N ATOM 0 H HIS A 92 -12.897 -6.553 11.234 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.059 -9.098 11.327 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.719 -9.863 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.867 -8.677 10.348 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.768 -9.273 13.451 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.248 -5.179 12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.393 -7.108 13.897 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.759 -9.352 13.680 1.00 0.00 N ATOM 1474 CA GLY A 93 -15.077 -9.790 15.024 1.00 0.00 C ATOM 1475 C GLY A 93 -15.012 -8.665 16.037 1.00 0.00 C ATOM 1476 O GLY A 93 -14.655 -8.888 17.192 1.00 0.00 O ATOM 0 H GLY A 93 -15.523 -9.451 13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.077 -10.224 15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.384 -10.579 15.318 1.00 0.00 H new ATOM 1480 N THR A 94 -15.345 -7.461 15.605 1.00 0.00 N ATOM 1481 CA THR A 94 -15.308 -6.310 16.476 1.00 0.00 C ATOM 1482 C THR A 94 -16.624 -6.175 17.248 1.00 0.00 C ATOM 1483 O THR A 94 -17.577 -5.552 16.775 1.00 0.00 O ATOM 1484 CB THR A 94 -15.049 -5.010 15.676 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.956 -5.212 14.760 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.706 -3.856 16.610 1.00 0.00 C ATOM 0 H THR A 94 -15.645 -7.260 14.651 1.00 0.00 H new ATOM 0 HA THR A 94 -14.489 -6.459 17.179 1.00 0.00 H new ATOM 0 HB THR A 94 -15.957 -4.762 15.127 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.968 -4.510 14.077 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.528 -2.954 16.024 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.535 -3.685 17.297 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.809 -4.102 17.178 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.677 -6.784 18.421 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.859 -6.722 19.256 1.00 0.00 C ATOM 1496 C ILE A 95 -17.652 -5.743 20.386 1.00 0.00 C ATOM 1497 O ILE A 95 -16.669 -5.822 21.123 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.239 -8.108 19.823 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.576 -9.071 18.677 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.398 -7.988 20.802 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.817 -10.496 19.119 1.00 0.00 C ATOM 0 H ILE A 95 -15.910 -7.329 18.815 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.683 -6.383 18.628 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.386 -8.512 20.369 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.464 -8.707 18.160 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.760 -9.059 17.955 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.650 -8.975 21.190 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.111 -7.336 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.264 -7.567 20.291 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -19.049 -11.112 18.250 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.923 -10.881 19.609 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.653 -10.524 19.817 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.568 -4.815 20.509 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.488 -3.808 21.524 1.00 0.00 C ATOM 1515 C TYR A 96 -19.845 -3.665 22.187 1.00 0.00 C ATOM 1516 O TYR A 96 -20.869 -3.651 21.498 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.048 -2.489 20.898 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.413 -1.537 21.873 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.051 -1.600 22.131 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.163 -0.578 22.538 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.453 -0.742 23.024 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.573 0.290 23.433 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.217 0.202 23.673 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.623 1.057 24.569 1.00 0.00 O ATOM 0 H TYR A 96 -19.387 -4.741 19.906 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.755 -4.092 22.279 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.341 -2.697 20.095 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.914 -2.006 20.444 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.449 -2.337 21.621 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.225 -0.510 22.352 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.392 -0.808 23.215 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.168 1.033 23.942 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.692 1.213 24.305 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.859 -3.605 23.524 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.104 -3.485 24.312 1.00 0.00 C ATOM 1536 C CYS A 97 -21.891 -4.807 24.334 1.00 0.00 C ATOM 1537 O CYS A 97 -22.483 -5.174 25.354 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.982 -2.329 23.789 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.520 -2.068 24.705 1.00 0.00 S ATOM 0 H CYS A 97 -19.014 -3.638 24.094 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.819 -3.256 25.339 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.399 -1.408 23.816 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.226 -2.521 22.744 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.174 -1.074 24.181 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.882 -5.521 23.221 1.00 0.00 N ATOM 1546 CA GLY A 98 -22.586 -6.781 23.141 1.00 0.00 C ATOM 1547 C GLY A 98 -22.778 -7.227 21.718 1.00 0.00 C ATOM 1548 O GLY A 98 -22.795 -8.425 21.426 1.00 0.00 O ATOM 0 H GLY A 98 -21.396 -5.248 22.367 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.030 -7.543 23.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.558 -6.685 23.626 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.913 -6.269 20.828 1.00 0.00 N ATOM 1553 CA ALA A 99 -23.101 -6.559 19.425 1.00 0.00 C ATOM 1554 C ALA A 99 -21.876 -6.136 18.627 1.00 0.00 C ATOM 1555 O ALA A 99 -21.055 -5.351 19.108 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.344 -5.853 18.909 1.00 0.00 C ATOM 0 H ALA A 99 -22.896 -5.275 21.054 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.234 -7.634 19.303 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.477 -6.078 17.851 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.216 -6.197 19.466 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.232 -4.777 19.040 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.735 -6.676 17.434 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.623 -6.321 16.578 1.00 0.00 C ATOM 1564 C ALA A 100 -20.939 -5.070 15.792 1.00 0.00 C ATOM 1565 O ALA A 100 -22.051 -4.914 15.280 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.269 -7.463 15.632 1.00 0.00 C ATOM 0 H ALA A 100 -22.376 -7.362 17.036 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.759 -6.128 17.215 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.430 -7.167 15.002 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.994 -8.344 16.212 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.130 -7.696 15.005 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.979 -4.174 15.705 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.154 -2.966 14.937 1.00 0.00 C ATOM 1574 C ILE A 101 -19.781 -3.215 13.491 1.00 0.00 C ATOM 1575 O ILE A 101 -18.788 -3.883 13.200 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.349 -1.762 15.509 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.847 -2.069 15.572 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.880 -1.375 16.882 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.003 -0.887 16.008 1.00 0.00 C ATOM 0 H ILE A 101 -19.069 -4.262 16.158 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.207 -2.693 15.003 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.482 -0.918 14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.683 -2.896 16.262 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.511 -2.402 14.590 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.308 -0.532 17.269 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.930 -1.094 16.800 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.783 -2.222 17.561 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.953 -1.178 16.029 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.137 -0.065 15.305 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.311 -0.567 17.003 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.588 -2.713 12.592 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.351 -2.936 11.196 1.00 0.00 C ATOM 1593 C GLY A 102 -19.665 -1.771 10.542 1.00 0.00 C ATOM 1594 O GLY A 102 -20.221 -0.677 10.471 1.00 0.00 O ATOM 0 H GLY A 102 -21.411 -2.149 12.804 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.741 -3.831 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.300 -3.125 10.694 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.458 -2.006 10.074 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.689 -0.989 9.396 1.00 0.00 C ATOM 1600 C CYS A 103 -17.590 -1.336 7.916 1.00 0.00 C ATOM 1601 O CYS A 103 -16.816 -2.210 7.522 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.285 -0.887 10.000 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.256 -0.631 11.792 1.00 0.00 S ATOM 0 H CYS A 103 -17.984 -2.906 10.153 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.188 -0.027 9.516 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.736 -1.799 9.767 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.755 -0.064 9.519 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.137 -0.063 12.131 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.381 -0.675 7.105 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.390 -0.952 5.681 1.00 0.00 C ATOM 1611 C VAL A 104 -18.089 0.303 4.869 1.00 0.00 C ATOM 1612 O VAL A 104 -18.260 1.426 5.356 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.750 -1.526 5.228 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.019 -2.872 5.879 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.867 -0.544 5.535 1.00 0.00 C ATOM 0 H VAL A 104 -19.026 0.057 7.402 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.610 -1.692 5.502 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.713 -1.680 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.983 -3.253 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.234 -3.575 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.033 -2.756 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.819 -0.963 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.901 -0.355 6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.684 0.392 5.008 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.623 0.128 3.619 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.351 1.237 2.714 1.00 0.00 C ATOM 1627 C PRO A 105 -18.638 1.961 2.335 1.00 0.00 C ATOM 1628 O PRO A 105 -19.716 1.361 2.348 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.728 0.562 1.474 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.368 -0.818 1.913 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.338 -1.171 2.993 1.00 0.00 C ATOM 0 HA PRO A 105 -16.700 1.988 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.433 0.539 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.849 1.107 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.435 -1.522 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.343 -0.856 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.240 -1.632 2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.910 -1.877 3.705 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.521 3.242 2.028 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.665 4.064 1.653 1.00 0.00 C ATOM 1641 C TYR A 106 -20.403 3.472 0.451 1.00 0.00 C ATOM 1642 O TYR A 106 -19.946 3.579 -0.690 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.196 5.490 1.331 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.316 6.460 1.017 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.016 7.080 2.040 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.666 6.760 -0.294 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.035 7.969 1.775 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.688 7.652 -0.574 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.370 8.253 0.466 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.389 9.143 0.197 1.00 0.00 O ATOM 0 H TYR A 106 -17.633 3.743 2.031 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.358 4.089 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.627 5.873 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.515 5.452 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.758 6.862 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.133 6.290 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.569 8.441 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.950 7.876 -1.598 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.497 9.233 -0.773 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.525 2.825 0.722 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.348 2.251 -0.324 1.00 0.00 C ATOM 1662 C LYS A 107 -23.546 3.139 -0.595 1.00 0.00 C ATOM 1663 O LYS A 107 -24.203 3.604 0.334 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.825 0.857 0.054 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.734 -0.193 0.075 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.273 -1.527 0.573 1.00 0.00 C ATOM 1667 CE LYS A 107 -23.387 -2.062 -0.330 1.00 0.00 C ATOM 1668 NZ LYS A 107 -23.911 -3.371 0.135 1.00 0.00 N ATOM 0 H LYS A 107 -21.886 2.685 1.665 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.738 2.177 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.290 0.900 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.597 0.547 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.321 -0.314 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.918 0.137 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.461 -2.253 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.653 -1.410 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -24.202 -1.339 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -23.009 -2.165 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -24.663 -3.692 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -23.141 -4.070 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -24.297 -3.269 1.095 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.824 3.363 -1.862 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.934 4.217 -2.270 1.00 0.00 C ATOM 1684 C HIS A 108 -26.285 3.638 -1.836 1.00 0.00 C ATOM 1685 O HIS A 108 -27.113 4.349 -1.266 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.903 4.431 -3.786 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.986 5.333 -4.306 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.104 4.867 -4.970 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.110 6.681 -4.270 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -27.865 5.894 -5.315 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.285 6.999 -4.902 1.00 0.00 N ATOM 0 H HIS A 108 -23.295 2.964 -2.638 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.817 5.179 -1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.935 4.849 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.985 3.463 -4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.413 7.376 -3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -28.804 5.834 -5.846 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.651 7.942 -5.031 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.500 2.348 -2.091 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.769 1.714 -1.733 1.00 0.00 C ATOM 1701 C GLU A 109 -27.926 1.603 -0.219 1.00 0.00 C ATOM 1702 O GLU A 109 -29.032 1.729 0.306 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.936 0.337 -2.401 1.00 0.00 C ATOM 1704 CG GLU A 109 -29.268 -0.334 -2.072 1.00 0.00 C ATOM 1705 CD GLU A 109 -29.488 -1.640 -2.798 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.561 -2.472 -2.837 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -30.610 -1.846 -3.322 1.00 0.00 O ATOM 0 H GLU A 109 -25.823 1.729 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.562 2.359 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.852 0.452 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -27.121 -0.314 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -29.319 -0.513 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -30.080 0.350 -2.320 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.810 1.412 0.477 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.823 1.266 1.932 1.00 0.00 C ATOM 1716 C LEU A 110 -27.405 2.504 2.591 1.00 0.00 C ATOM 1717 O LEU A 110 -28.177 2.405 3.545 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.412 1.016 2.456 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.279 0.887 3.974 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.942 -0.390 4.470 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.817 0.939 4.384 1.00 0.00 C ATOM 0 H LEU A 110 -25.882 1.354 0.058 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.450 0.410 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.031 0.103 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.771 1.832 2.122 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.793 1.729 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.834 -0.459 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.001 -0.375 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.467 -1.252 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.739 0.846 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.277 0.120 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.385 1.889 4.070 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.044 3.666 2.074 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.559 4.910 2.604 1.00 0.00 C ATOM 1735 C ILE A 111 -29.074 4.942 2.439 1.00 0.00 C ATOM 1736 O ILE A 111 -29.808 5.312 3.368 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.921 6.133 1.896 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.388 6.050 1.981 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.427 7.440 2.503 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.844 6.029 3.401 1.00 0.00 C ATOM 0 H ILE A 111 -26.399 3.771 1.291 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.302 4.967 3.662 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.214 6.118 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.054 5.151 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.959 6.901 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.965 8.283 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.510 7.497 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.168 7.474 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.756 5.970 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.144 6.940 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.241 5.163 3.930 1.00 0.00 H new ATOM 1752 N SER A 112 -29.544 4.531 1.264 1.00 0.00 N ATOM 1753 CA SER A 112 -30.966 4.448 1.003 1.00 0.00 C ATOM 1754 C SER A 112 -31.632 3.454 1.956 1.00 0.00 C ATOM 1755 O SER A 112 -32.695 3.731 2.502 1.00 0.00 O ATOM 1756 CB SER A 112 -31.230 4.046 -0.446 1.00 0.00 C ATOM 1757 OG SER A 112 -30.687 5.000 -1.349 1.00 0.00 O ATOM 0 H SER A 112 -28.954 4.251 0.480 1.00 0.00 H new ATOM 0 HA SER A 112 -31.397 5.435 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.793 3.067 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.303 3.954 -0.611 1.00 0.00 H new ATOM 0 HG SER A 112 -30.868 4.719 -2.270 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.985 2.309 2.171 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.510 1.294 3.083 1.00 0.00 C ATOM 1765 C GLU A 113 -31.680 1.872 4.485 1.00 0.00 C ATOM 1766 O GLU A 113 -32.743 1.743 5.097 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.565 0.087 3.146 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.467 -0.701 1.848 1.00 0.00 C ATOM 1769 CD GLU A 113 -29.493 -1.852 1.950 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -28.290 -1.646 1.674 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.924 -2.969 2.312 1.00 0.00 O ATOM 0 H GLU A 113 -30.100 2.062 1.728 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.481 0.972 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -29.569 0.434 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.901 -0.582 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.452 -1.084 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.156 -0.035 1.043 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.628 2.522 4.971 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.613 3.109 6.301 1.00 0.00 C ATOM 1780 C LEU A 114 -31.642 4.236 6.455 1.00 0.00 C ATOM 1781 O LEU A 114 -32.334 4.322 7.468 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.215 3.633 6.618 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.117 2.570 6.708 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.779 3.214 6.975 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.437 1.541 7.783 1.00 0.00 C ATOM 0 H LEU A 114 -29.761 2.656 4.451 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.886 2.325 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.935 4.356 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.254 4.171 7.565 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.070 2.053 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.010 2.444 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.539 3.903 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.820 3.761 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.640 0.798 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.520 2.038 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.380 1.048 7.546 1.00 0.00 H new ATOM 1797 N SER A 115 -31.734 5.100 5.452 1.00 0.00 N ATOM 1798 CA SER A 115 -32.653 6.223 5.504 1.00 0.00 C ATOM 1799 C SER A 115 -34.114 5.794 5.317 1.00 0.00 C ATOM 1800 O SER A 115 -35.005 6.294 6.005 1.00 0.00 O ATOM 1801 CB SER A 115 -32.260 7.281 4.470 1.00 0.00 C ATOM 1802 OG SER A 115 -32.153 6.714 3.172 1.00 0.00 O ATOM 0 H SER A 115 -31.183 5.042 4.595 1.00 0.00 H new ATOM 0 HA SER A 115 -32.578 6.656 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.003 8.079 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.309 7.734 4.752 1.00 0.00 H new ATOM 0 HG SER A 115 -31.271 6.300 3.068 1.00 0.00 H new