USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 570 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 88 TYR OH : rot 180:sc= 0.00996 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= -0.883 F(o=-2!,f=-0.87) USER MOD Set 2.1: A 84 THR OG1 : rot -44:sc= 0.952 USER MOD Set 2.2: A 85 THR OG1 : rot 175:sc= 1.23 USER MOD Set 3.1: A 3 HIS : no HE2:sc= -3.29! X(o=-2.4!,f=-2.4) USER MOD Set 3.2: A 13 SER OG : rot -89:sc= 0.911 USER MOD Set 4.1: A 12 TYR OH : rot -89:sc= 0.0248 USER MOD Set 4.2: A 20 LYS NZ :NH3+ 161:sc= -0.226 (180deg=-0.862) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00418 USER MOD Single : A 8 SER OG : rot 68:sc= 1.2 USER MOD Single : A 16 MET CE :methyl 158:sc= 0 (180deg=-0.49) USER MOD Single : A 17 GLN : amide:sc= -2.52! C(o=-2.5!,f=-13!) USER MOD Single : A 26 GLN : amide:sc= -0.22 K(o=-0.22,f=-2!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -19:sc= -1.32! USER MOD Single : A 34 ASN : amide:sc= -2.74! C(o=-2.7!,f=-9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.011) USER MOD Single : A 46 THR OG1 : rot -58:sc= 0.561 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 50 ASN : amide:sc= 0.201 X(o=0.2,f=0.14) USER MOD Single : A 51 SER OG : rot -91:sc= -3.34! USER MOD Single : A 52 ASN : amide:sc= -1.26! C(o=-1.3!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.72! USER MOD Single : A 63 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot -41:sc= -0.369! USER MOD Single : A 71 THR OG1 : rot 166:sc= 1.42 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.258 K(o=0.26,f=-1.3) USER MOD Single : A 83 SER OG : rot 135:sc= -1.71 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.19) USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0.0574 (180deg=0.0571) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 100:sc= 0.476 USER MOD Single : A 98 THR OG1 : rot -63:sc= 0.595 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.015 7.468 -42.198 1.00 0.00 N ATOM 32 CA HIS A 3 45.132 6.716 -40.953 1.00 0.00 C ATOM 33 C HIS A 3 45.859 7.534 -39.891 1.00 0.00 C ATOM 34 O HIS A 3 46.935 8.076 -40.144 1.00 0.00 O ATOM 35 CB HIS A 3 45.877 5.402 -41.198 1.00 0.00 C ATOM 36 CG HIS A 3 44.975 4.219 -41.370 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.563 3.759 -42.604 1.00 0.00 N ATOM 38 CD2 HIS A 3 44.410 3.393 -40.457 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.784 2.705 -42.442 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.676 2.462 -41.149 1.00 0.00 N ATOM 0 HA HIS A 3 44.127 6.496 -40.592 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.497 5.507 -42.088 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.550 5.215 -40.361 1.00 0.00 H new ATOM 0 HD1 HIS A 3 44.820 4.169 -43.502 1.00 0.00 H new ATOM 0 HD2 HIS A 3 44.517 3.455 -39.384 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.315 2.138 -43.233 1.00 0.00 H new ATOM 49 N CYS A 4 45.269 7.622 -38.701 1.00 0.00 N ATOM 50 CA CYS A 4 45.874 8.377 -37.613 1.00 0.00 C ATOM 51 C CYS A 4 46.437 7.448 -36.545 1.00 0.00 C ATOM 52 O CYS A 4 46.300 6.228 -36.630 1.00 0.00 O ATOM 53 CB CYS A 4 44.855 9.328 -36.986 1.00 0.00 C ATOM 54 SG CYS A 4 44.562 10.850 -37.946 1.00 0.00 S ATOM 0 H CYS A 4 44.378 7.182 -38.469 1.00 0.00 H new ATOM 0 HA CYS A 4 46.694 8.960 -38.032 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.909 8.800 -36.865 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.197 9.602 -35.988 1.00 0.00 H new ATOM 59 N VAL A 5 47.072 8.038 -35.538 1.00 0.00 N ATOM 60 CA VAL A 5 47.660 7.270 -34.448 1.00 0.00 C ATOM 61 C VAL A 5 47.845 8.137 -33.206 1.00 0.00 C ATOM 62 O VAL A 5 48.025 9.350 -33.305 1.00 0.00 O ATOM 63 CB VAL A 5 49.022 6.677 -34.850 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.291 5.389 -34.086 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.079 6.438 -36.352 1.00 0.00 C ATOM 0 H VAL A 5 47.192 9.047 -35.455 1.00 0.00 H new ATOM 0 HA VAL A 5 46.969 6.457 -34.224 1.00 0.00 H new ATOM 0 HB VAL A 5 49.800 7.394 -34.591 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.258 4.985 -34.384 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.298 5.595 -33.016 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.510 4.663 -34.310 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.050 6.019 -36.617 1.00 0.00 H new ATOM 0 HG22 VAL A 5 48.292 5.741 -36.640 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.937 7.383 -36.876 1.00 0.00 H new ATOM 75 N THR A 6 47.801 7.505 -32.038 1.00 0.00 N ATOM 76 CA THR A 6 47.965 8.218 -30.778 1.00 0.00 C ATOM 77 C THR A 6 49.439 8.466 -30.480 1.00 0.00 C ATOM 78 O THR A 6 49.804 9.500 -29.921 1.00 0.00 O ATOM 79 CB THR A 6 47.341 7.439 -29.605 1.00 0.00 C ATOM 80 OG1 THR A 6 48.175 6.328 -29.253 1.00 0.00 O ATOM 81 CG2 THR A 6 45.951 6.938 -29.970 1.00 0.00 C ATOM 0 H THR A 6 47.653 6.501 -31.938 1.00 0.00 H new ATOM 0 HA THR A 6 47.450 9.173 -30.884 1.00 0.00 H new ATOM 0 HB THR A 6 47.258 8.114 -28.753 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.771 5.840 -28.505 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.529 6.391 -29.127 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.310 7.786 -30.210 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.018 6.278 -30.835 1.00 0.00 H new ATOM 89 N ASP A 7 50.282 7.511 -30.860 1.00 0.00 N ATOM 90 CA ASP A 7 51.718 7.624 -30.637 1.00 0.00 C ATOM 91 C ASP A 7 52.475 6.542 -31.396 1.00 0.00 C ATOM 92 O ASP A 7 53.343 6.837 -32.218 1.00 0.00 O ATOM 93 CB ASP A 7 52.031 7.529 -29.143 1.00 0.00 C ATOM 94 CG ASP A 7 52.973 8.623 -28.681 1.00 0.00 C ATOM 95 OD1 ASP A 7 53.175 9.594 -29.441 1.00 0.00 O ATOM 96 OD2 ASP A 7 53.510 8.508 -27.560 1.00 0.00 O ATOM 0 H ASP A 7 49.994 6.650 -31.324 1.00 0.00 H new ATOM 0 HA ASP A 7 52.042 8.596 -31.009 1.00 0.00 H new ATOM 0 HB2 ASP A 7 51.102 7.589 -28.575 1.00 0.00 H new ATOM 0 HB3 ASP A 7 52.474 6.557 -28.928 1.00 0.00 H new ATOM 101 N SER A 8 52.142 5.290 -31.114 1.00 0.00 N ATOM 102 CA SER A 8 52.792 4.159 -31.768 1.00 0.00 C ATOM 103 C SER A 8 52.266 2.835 -31.222 1.00 0.00 C ATOM 104 O SER A 8 53.021 2.039 -30.664 1.00 0.00 O ATOM 105 CB SER A 8 54.307 4.234 -31.575 1.00 0.00 C ATOM 106 OG SER A 8 54.679 3.793 -30.280 1.00 0.00 O ATOM 0 H SER A 8 51.425 5.030 -30.436 1.00 0.00 H new ATOM 0 HA SER A 8 52.563 4.209 -32.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 54.803 3.621 -32.328 1.00 0.00 H new ATOM 0 HB3 SER A 8 54.645 5.259 -31.725 1.00 0.00 H new ATOM 0 HG SER A 8 54.505 2.832 -30.199 1.00 0.00 H new ATOM 112 N GLY A 9 50.968 2.604 -31.389 1.00 0.00 N ATOM 113 CA GLY A 9 50.368 1.374 -30.908 1.00 0.00 C ATOM 114 C GLY A 9 48.971 1.154 -31.452 1.00 0.00 C ATOM 115 O GLY A 9 48.579 0.022 -31.737 1.00 0.00 O ATOM 0 H GLY A 9 50.322 3.246 -31.848 1.00 0.00 H new ATOM 0 HA2 GLY A 9 51.000 0.532 -31.190 1.00 0.00 H new ATOM 0 HA3 GLY A 9 50.330 1.394 -29.819 1.00 0.00 H new ATOM 119 N VAL A 10 48.215 2.237 -31.593 1.00 0.00 N ATOM 120 CA VAL A 10 46.853 2.156 -32.106 1.00 0.00 C ATOM 121 C VAL A 10 46.656 3.078 -33.304 1.00 0.00 C ATOM 122 O VAL A 10 46.306 4.248 -33.148 1.00 0.00 O ATOM 123 CB VAL A 10 45.822 2.518 -31.020 1.00 0.00 C ATOM 124 CG1 VAL A 10 44.518 1.768 -31.250 1.00 0.00 C ATOM 125 CG2 VAL A 10 46.378 2.222 -29.636 1.00 0.00 C ATOM 0 H VAL A 10 48.522 3.181 -31.359 1.00 0.00 H new ATOM 0 HA VAL A 10 46.696 1.124 -32.419 1.00 0.00 H new ATOM 0 HB VAL A 10 45.616 3.586 -31.083 1.00 0.00 H new ATOM 0 HG11 VAL A 10 43.802 2.036 -30.473 1.00 0.00 H new ATOM 0 HG12 VAL A 10 44.112 2.035 -32.226 1.00 0.00 H new ATOM 0 HG13 VAL A 10 44.705 0.695 -31.216 1.00 0.00 H new ATOM 0 HG21 VAL A 10 45.636 2.484 -28.882 1.00 0.00 H new ATOM 0 HG22 VAL A 10 46.615 1.161 -29.558 1.00 0.00 H new ATOM 0 HG23 VAL A 10 47.282 2.809 -29.474 1.00 0.00 H new ATOM 135 N VAL A 11 46.881 2.541 -34.498 1.00 0.00 N ATOM 136 CA VAL A 11 46.724 3.312 -35.724 1.00 0.00 C ATOM 137 C VAL A 11 45.254 3.600 -36.005 1.00 0.00 C ATOM 138 O VAL A 11 44.601 2.875 -36.754 1.00 0.00 O ATOM 139 CB VAL A 11 47.331 2.573 -36.931 1.00 0.00 C ATOM 140 CG1 VAL A 11 47.126 3.373 -38.208 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.808 2.294 -36.697 1.00 0.00 C ATOM 0 H VAL A 11 47.173 1.574 -34.642 1.00 0.00 H new ATOM 0 HA VAL A 11 47.255 4.253 -35.579 1.00 0.00 H new ATOM 0 HB VAL A 11 46.818 1.618 -37.045 1.00 0.00 H new ATOM 0 HG11 VAL A 11 47.562 2.834 -39.049 1.00 0.00 H new ATOM 0 HG12 VAL A 11 46.059 3.515 -38.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.610 4.345 -38.110 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.221 1.771 -37.560 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.338 3.236 -36.556 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.925 1.675 -35.808 1.00 0.00 H new ATOM 151 N TYR A 12 44.740 4.663 -35.395 1.00 0.00 N ATOM 152 CA TYR A 12 43.346 5.047 -35.577 1.00 0.00 C ATOM 153 C TYR A 12 43.114 5.604 -36.974 1.00 0.00 C ATOM 154 O TYR A 12 43.488 6.738 -37.272 1.00 0.00 O ATOM 155 CB TYR A 12 42.937 6.079 -34.526 1.00 0.00 C ATOM 156 CG TYR A 12 42.667 5.478 -33.167 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.482 4.801 -32.909 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.600 5.582 -32.144 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.235 4.245 -31.668 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.361 5.029 -30.901 1.00 0.00 C ATOM 161 CZ TYR A 12 42.176 4.362 -30.668 1.00 0.00 C ATOM 162 OH TYR A 12 41.935 3.809 -29.431 1.00 0.00 O ATOM 0 H TYR A 12 45.268 5.273 -34.771 1.00 0.00 H new ATOM 0 HA TYR A 12 42.731 4.155 -35.456 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.726 6.825 -34.434 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.043 6.600 -34.868 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.742 4.708 -33.690 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.528 6.104 -32.323 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.309 3.721 -31.483 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.097 5.118 -30.116 1.00 0.00 H new ATOM 0 HH TYR A 12 41.467 4.460 -28.867 1.00 0.00 H new ATOM 172 N SER A 13 42.496 4.798 -37.830 1.00 0.00 N ATOM 173 CA SER A 13 42.216 5.212 -39.197 1.00 0.00 C ATOM 174 C SER A 13 41.610 6.607 -39.231 1.00 0.00 C ATOM 175 O SER A 13 41.325 7.197 -38.189 1.00 0.00 O ATOM 176 CB SER A 13 41.269 4.221 -39.870 1.00 0.00 C ATOM 177 OG SER A 13 41.415 2.921 -39.327 1.00 0.00 O ATOM 0 H SER A 13 42.180 3.856 -37.601 1.00 0.00 H new ATOM 0 HA SER A 13 43.160 5.231 -39.741 1.00 0.00 H new ATOM 0 HB2 SER A 13 40.239 4.556 -39.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 41.468 4.195 -40.941 1.00 0.00 H new ATOM 0 HG SER A 13 42.106 2.435 -39.823 1.00 0.00 H new ATOM 183 N VAL A 14 41.414 7.130 -40.435 1.00 0.00 N ATOM 184 CA VAL A 14 40.839 8.455 -40.602 1.00 0.00 C ATOM 185 C VAL A 14 39.321 8.384 -40.657 1.00 0.00 C ATOM 186 O VAL A 14 38.721 8.426 -41.730 1.00 0.00 O ATOM 187 CB VAL A 14 41.361 9.143 -41.876 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.200 8.228 -43.080 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.643 10.465 -42.102 1.00 0.00 C ATOM 0 H VAL A 14 41.645 6.656 -41.308 1.00 0.00 H new ATOM 0 HA VAL A 14 41.143 9.045 -39.737 1.00 0.00 H new ATOM 0 HB VAL A 14 42.423 9.351 -41.746 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.574 8.731 -43.972 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.764 7.310 -42.917 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.146 7.987 -43.215 1.00 0.00 H new ATOM 0 HG21 VAL A 14 41.025 10.937 -43.007 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.574 10.284 -42.211 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.815 11.123 -41.250 1.00 0.00 H new ATOM 199 N GLY A 15 38.709 8.274 -39.486 1.00 0.00 N ATOM 200 CA GLY A 15 37.264 8.196 -39.408 1.00 0.00 C ATOM 201 C GLY A 15 36.790 6.986 -38.629 1.00 0.00 C ATOM 202 O GLY A 15 35.625 6.600 -38.720 1.00 0.00 O ATOM 0 H GLY A 15 39.189 8.237 -38.587 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.879 9.101 -38.937 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.850 8.160 -40.416 1.00 0.00 H new ATOM 206 N MET A 16 37.692 6.387 -37.858 1.00 0.00 N ATOM 207 CA MET A 16 37.353 5.217 -37.060 1.00 0.00 C ATOM 208 C MET A 16 36.704 5.636 -35.748 1.00 0.00 C ATOM 209 O MET A 16 35.910 4.893 -35.170 1.00 0.00 O ATOM 210 CB MET A 16 38.603 4.380 -36.782 1.00 0.00 C ATOM 211 CG MET A 16 38.297 2.938 -36.411 1.00 0.00 C ATOM 212 SD MET A 16 38.869 2.510 -34.755 1.00 0.00 S ATOM 213 CE MET A 16 40.556 2.017 -35.096 1.00 0.00 C ATOM 0 H MET A 16 38.661 6.693 -37.770 1.00 0.00 H new ATOM 0 HA MET A 16 36.643 4.612 -37.624 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.242 4.392 -37.665 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.168 4.843 -35.973 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.222 2.771 -36.474 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.766 2.273 -37.136 1.00 0.00 H new ATOM 0 HE1 MET A 16 41.150 2.100 -34.186 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.570 0.985 -35.446 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.976 2.666 -35.864 1.00 0.00 H new ATOM 223 N GLN A 17 37.046 6.834 -35.285 1.00 0.00 N ATOM 224 CA GLN A 17 36.499 7.358 -34.041 1.00 0.00 C ATOM 225 C GLN A 17 36.805 6.421 -32.880 1.00 0.00 C ATOM 226 O GLN A 17 36.752 5.200 -33.025 1.00 0.00 O ATOM 227 CB GLN A 17 34.988 7.560 -34.169 1.00 0.00 C ATOM 228 CG GLN A 17 34.562 9.014 -34.064 1.00 0.00 C ATOM 229 CD GLN A 17 33.252 9.186 -33.321 1.00 0.00 C ATOM 230 OE1 GLN A 17 32.175 8.995 -33.885 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.339 9.548 -32.047 1.00 0.00 N ATOM 0 H GLN A 17 37.700 7.460 -35.754 1.00 0.00 H new ATOM 0 HA GLN A 17 36.969 8.321 -33.841 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.655 7.160 -35.127 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.485 6.985 -33.392 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.341 9.581 -33.555 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.465 9.434 -35.065 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.254 9.696 -31.620 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.491 9.679 -31.495 1.00 0.00 H new ATOM 240 N TRP A 18 37.134 6.995 -31.727 1.00 0.00 N ATOM 241 CA TRP A 18 37.453 6.195 -30.553 1.00 0.00 C ATOM 242 C TRP A 18 37.420 7.032 -29.279 1.00 0.00 C ATOM 243 O TRP A 18 36.984 8.185 -29.283 1.00 0.00 O ATOM 244 CB TRP A 18 38.829 5.553 -30.717 1.00 0.00 C ATOM 245 CG TRP A 18 39.940 6.550 -30.727 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.736 6.897 -29.675 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.379 7.338 -31.841 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.642 7.848 -30.064 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.445 8.138 -31.390 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.976 7.444 -33.178 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.111 9.032 -32.227 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.637 8.330 -34.005 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.693 9.114 -33.529 1.00 0.00 C ATOM 0 H TRP A 18 37.186 8.003 -31.582 1.00 0.00 H new ATOM 0 HA TRP A 18 36.695 5.417 -30.463 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.992 4.844 -29.906 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.850 4.984 -31.647 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.663 6.482 -28.680 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.349 8.272 -29.464 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.162 6.843 -33.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.927 9.638 -31.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.333 8.419 -35.038 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.189 9.798 -34.202 1.00 0.00 H new ATOM 264 N LEU A 19 37.889 6.436 -28.187 1.00 0.00 N ATOM 265 CA LEU A 19 37.916 7.107 -26.893 1.00 0.00 C ATOM 266 C LEU A 19 39.281 6.960 -26.233 1.00 0.00 C ATOM 267 O LEU A 19 40.007 6.000 -26.491 1.00 0.00 O ATOM 268 CB LEU A 19 36.839 6.520 -25.977 1.00 0.00 C ATOM 269 CG LEU A 19 35.561 7.351 -25.856 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.891 8.776 -25.443 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.792 7.339 -27.167 1.00 0.00 C ATOM 0 H LEU A 19 38.257 5.485 -28.174 1.00 0.00 H new ATOM 0 HA LEU A 19 37.720 8.167 -27.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.575 5.528 -26.344 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.264 6.389 -24.982 1.00 0.00 H new ATOM 0 HG LEU A 19 34.932 6.906 -25.085 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.970 9.354 -25.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.400 8.767 -24.479 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.540 9.231 -26.192 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.886 7.935 -27.063 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.414 7.759 -27.957 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.524 6.314 -27.422 1.00 0.00 H new ATOM 283 N LYS A 20 39.620 7.912 -25.372 1.00 0.00 N ATOM 284 CA LYS A 20 40.894 7.880 -24.667 1.00 0.00 C ATOM 285 C LYS A 20 40.711 8.231 -23.196 1.00 0.00 C ATOM 286 O LYS A 20 39.974 9.155 -22.853 1.00 0.00 O ATOM 287 CB LYS A 20 41.891 8.841 -25.312 1.00 0.00 C ATOM 288 CG LYS A 20 43.343 8.514 -24.997 1.00 0.00 C ATOM 289 CD LYS A 20 43.753 7.168 -25.573 1.00 0.00 C ATOM 290 CE LYS A 20 43.984 7.250 -27.073 1.00 0.00 C ATOM 291 NZ LYS A 20 43.503 6.029 -27.777 1.00 0.00 N ATOM 0 H LYS A 20 39.031 8.714 -25.146 1.00 0.00 H new ATOM 0 HA LYS A 20 41.288 6.866 -24.735 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.750 8.826 -26.393 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.675 9.855 -24.976 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.988 9.294 -25.401 1.00 0.00 H new ATOM 0 HG3 LYS A 20 43.489 8.507 -23.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.663 6.823 -25.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.979 6.430 -25.363 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.471 8.125 -27.472 1.00 0.00 H new ATOM 0 HE3 LYS A 20 45.047 7.387 -27.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.376 6.238 -28.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.202 5.267 -27.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.595 5.728 -27.369 1.00 0.00 H new ATOM 379 N GLN A 26 38.650 10.991 -18.348 1.00 0.00 N ATOM 380 CA GLN A 26 37.961 10.579 -19.564 1.00 0.00 C ATOM 381 C GLN A 26 38.210 11.576 -20.689 1.00 0.00 C ATOM 382 O GLN A 26 38.272 12.783 -20.460 1.00 0.00 O ATOM 383 CB GLN A 26 36.458 10.447 -19.305 1.00 0.00 C ATOM 384 CG GLN A 26 35.835 9.225 -19.961 1.00 0.00 C ATOM 385 CD GLN A 26 35.870 8.002 -19.066 1.00 0.00 C ATOM 386 OE1 GLN A 26 35.966 8.116 -17.844 1.00 0.00 O ATOM 387 NE2 GLN A 26 35.791 6.823 -19.671 1.00 0.00 N ATOM 0 HA GLN A 26 38.355 9.609 -19.867 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.285 10.400 -18.230 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.954 11.342 -19.670 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.801 9.447 -20.227 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.363 9.007 -20.889 1.00 0.00 H new ATOM 0 HE21 GLN A 26 35.712 6.775 -20.687 1.00 0.00 H new ATOM 0 HE22 GLN A 26 35.809 5.965 -19.120 1.00 0.00 H new ATOM 396 N MET A 27 38.357 11.064 -21.908 1.00 0.00 N ATOM 397 CA MET A 27 38.605 11.915 -23.065 1.00 0.00 C ATOM 398 C MET A 27 38.259 11.192 -24.363 1.00 0.00 C ATOM 399 O MET A 27 38.582 10.017 -24.535 1.00 0.00 O ATOM 400 CB MET A 27 40.069 12.355 -23.088 1.00 0.00 C ATOM 401 CG MET A 27 40.416 13.250 -24.266 1.00 0.00 C ATOM 402 SD MET A 27 41.154 12.341 -25.637 1.00 0.00 S ATOM 403 CE MET A 27 42.897 12.522 -25.264 1.00 0.00 C ATOM 0 H MET A 27 38.309 10.067 -22.119 1.00 0.00 H new ATOM 0 HA MET A 27 37.965 12.794 -22.983 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.296 12.883 -22.162 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.705 11.470 -23.114 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.513 13.753 -24.613 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.107 14.026 -23.936 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.487 12.011 -26.025 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.158 13.580 -25.252 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.108 12.085 -24.288 1.00 0.00 H new ATOM 413 N LEU A 28 37.608 11.905 -25.275 1.00 0.00 N ATOM 414 CA LEU A 28 37.226 11.337 -26.562 1.00 0.00 C ATOM 415 C LEU A 28 38.140 11.856 -27.663 1.00 0.00 C ATOM 416 O LEU A 28 38.536 13.021 -27.649 1.00 0.00 O ATOM 417 CB LEU A 28 35.768 11.679 -26.883 1.00 0.00 C ATOM 418 CG LEU A 28 35.267 11.165 -28.233 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.175 10.123 -28.040 1.00 0.00 C ATOM 420 CD2 LEU A 28 34.756 12.317 -29.083 1.00 0.00 C ATOM 0 H LEU A 28 37.333 12.879 -25.146 1.00 0.00 H new ATOM 0 HA LEU A 28 37.328 10.253 -26.505 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.133 11.270 -26.097 1.00 0.00 H new ATOM 0 HB3 LEU A 28 35.650 12.762 -26.857 1.00 0.00 H new ATOM 0 HG LEU A 28 36.102 10.694 -28.751 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.833 9.770 -29.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.570 9.283 -27.468 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.339 10.568 -27.500 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.403 11.934 -30.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 33.935 12.814 -28.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.563 13.030 -29.253 1.00 0.00 H new ATOM 432 N CYS A 29 38.484 10.988 -28.610 1.00 0.00 N ATOM 433 CA CYS A 29 39.365 11.382 -29.703 1.00 0.00 C ATOM 434 C CYS A 29 38.874 10.848 -31.041 1.00 0.00 C ATOM 435 O CYS A 29 38.120 9.876 -31.097 1.00 0.00 O ATOM 436 CB CYS A 29 40.787 10.890 -29.437 1.00 0.00 C ATOM 437 SG CYS A 29 42.048 11.687 -30.480 1.00 0.00 S ATOM 0 H CYS A 29 38.170 10.018 -28.643 1.00 0.00 H new ATOM 0 HA CYS A 29 39.361 12.471 -29.754 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.032 11.065 -28.389 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.825 9.813 -29.597 1.00 0.00 H new ATOM 442 N THR A 30 39.307 11.496 -32.118 1.00 0.00 N ATOM 443 CA THR A 30 38.910 11.091 -33.463 1.00 0.00 C ATOM 444 C THR A 30 39.867 11.630 -34.522 1.00 0.00 C ATOM 445 O THR A 30 40.521 12.654 -34.322 1.00 0.00 O ATOM 446 CB THR A 30 37.490 11.581 -33.797 1.00 0.00 C ATOM 447 OG1 THR A 30 36.559 11.093 -32.824 1.00 0.00 O ATOM 448 CG2 THR A 30 37.074 11.120 -35.185 1.00 0.00 C ATOM 0 H THR A 30 39.931 12.302 -32.086 1.00 0.00 H new ATOM 0 HA THR A 30 38.937 10.001 -33.475 1.00 0.00 H new ATOM 0 HB THR A 30 37.491 12.671 -33.778 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.954 10.334 -32.345 1.00 0.00 H new ATOM 0 HG21 THR A 30 36.067 11.477 -35.401 1.00 0.00 H new ATOM 0 HG22 THR A 30 37.767 11.521 -35.924 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.089 10.031 -35.226 1.00 0.00 H new ATOM 456 N CYS A 31 39.925 10.943 -35.660 1.00 0.00 N ATOM 457 CA CYS A 31 40.781 11.360 -36.765 1.00 0.00 C ATOM 458 C CYS A 31 39.927 11.887 -37.914 1.00 0.00 C ATOM 459 O CYS A 31 39.312 11.113 -38.648 1.00 0.00 O ATOM 460 CB CYS A 31 41.652 10.199 -37.255 1.00 0.00 C ATOM 461 SG CYS A 31 42.690 10.613 -38.699 1.00 0.00 S ATOM 0 H CYS A 31 39.389 10.094 -35.840 1.00 0.00 H new ATOM 0 HA CYS A 31 41.437 12.153 -36.407 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.296 9.871 -36.439 1.00 0.00 H new ATOM 0 HB3 CYS A 31 41.008 9.358 -37.512 1.00 0.00 H new ATOM 466 N LEU A 32 39.884 13.205 -38.055 1.00 0.00 N ATOM 467 CA LEU A 32 39.091 13.836 -39.106 1.00 0.00 C ATOM 468 C LEU A 32 39.812 13.779 -40.453 1.00 0.00 C ATOM 469 O LEU A 32 39.790 12.752 -41.130 1.00 0.00 O ATOM 470 CB LEU A 32 38.770 15.286 -38.731 1.00 0.00 C ATOM 471 CG LEU A 32 39.827 15.984 -37.872 1.00 0.00 C ATOM 472 CD1 LEU A 32 40.028 17.419 -38.330 1.00 0.00 C ATOM 473 CD2 LEU A 32 39.431 15.941 -36.403 1.00 0.00 C ATOM 0 H LEU A 32 40.388 13.859 -37.456 1.00 0.00 H new ATOM 0 HA LEU A 32 38.157 13.282 -39.203 1.00 0.00 H new ATOM 0 HB2 LEU A 32 38.632 15.860 -39.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 37.820 15.305 -38.197 1.00 0.00 H new ATOM 0 HG LEU A 32 40.772 15.453 -37.990 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.783 17.898 -37.707 1.00 0.00 H new ATOM 0 HD12 LEU A 32 40.357 17.427 -39.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.088 17.964 -38.243 1.00 0.00 H new ATOM 0 HD21 LEU A 32 40.193 16.442 -35.806 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.475 16.447 -36.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 39.341 14.904 -36.081 1.00 0.00 H new ATOM 485 N GLY A 33 40.448 14.882 -40.842 1.00 0.00 N ATOM 486 CA GLY A 33 41.154 14.915 -42.109 1.00 0.00 C ATOM 487 C GLY A 33 42.525 15.547 -41.994 1.00 0.00 C ATOM 488 O GLY A 33 43.502 15.033 -42.539 1.00 0.00 O ATOM 0 H GLY A 33 40.486 15.748 -40.305 1.00 0.00 H new ATOM 0 HA2 GLY A 33 41.257 13.899 -42.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 40.562 15.470 -42.837 1.00 0.00 H new ATOM 492 N ASN A 34 42.598 16.662 -41.280 1.00 0.00 N ATOM 493 CA ASN A 34 43.860 17.366 -41.088 1.00 0.00 C ATOM 494 C ASN A 34 44.736 16.626 -40.085 1.00 0.00 C ATOM 495 O ASN A 34 45.952 16.814 -40.046 1.00 0.00 O ATOM 496 CB ASN A 34 43.603 18.797 -40.613 1.00 0.00 C ATOM 497 CG ASN A 34 43.396 18.885 -39.112 1.00 0.00 C ATOM 498 OD1 ASN A 34 43.039 17.901 -38.465 1.00 0.00 O ATOM 499 ND2 ASN A 34 43.618 20.068 -38.553 1.00 0.00 N ATOM 0 H ASN A 34 41.798 17.099 -40.823 1.00 0.00 H new ATOM 0 HA ASN A 34 44.383 17.404 -42.043 1.00 0.00 H new ATOM 0 HB2 ASN A 34 44.446 19.427 -40.897 1.00 0.00 H new ATOM 0 HB3 ASN A 34 42.723 19.192 -41.121 1.00 0.00 H new ATOM 0 HD21 ASN A 34 43.494 20.188 -37.548 1.00 0.00 H new ATOM 0 HD22 ASN A 34 43.913 20.857 -39.129 1.00 0.00 H new ATOM 506 N GLY A 35 44.105 15.780 -39.276 1.00 0.00 N ATOM 507 CA GLY A 35 44.835 15.018 -38.283 1.00 0.00 C ATOM 508 C GLY A 35 43.918 14.325 -37.295 1.00 0.00 C ATOM 509 O GLY A 35 42.986 13.624 -37.687 1.00 0.00 O ATOM 0 H GLY A 35 43.099 15.610 -39.292 1.00 0.00 H new ATOM 0 HA2 GLY A 35 45.454 14.273 -38.784 1.00 0.00 H new ATOM 0 HA3 GLY A 35 45.510 15.683 -37.743 1.00 0.00 H new ATOM 513 N VAL A 36 44.184 14.525 -36.008 1.00 0.00 N ATOM 514 CA VAL A 36 43.379 13.919 -34.955 1.00 0.00 C ATOM 515 C VAL A 36 42.970 14.963 -33.920 1.00 0.00 C ATOM 516 O VAL A 36 43.808 15.712 -33.415 1.00 0.00 O ATOM 517 CB VAL A 36 44.143 12.765 -34.264 1.00 0.00 C ATOM 518 CG1 VAL A 36 43.621 12.510 -32.857 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.064 11.502 -35.095 1.00 0.00 C ATOM 0 H VAL A 36 44.953 15.104 -35.669 1.00 0.00 H new ATOM 0 HA VAL A 36 42.481 13.511 -35.419 1.00 0.00 H new ATOM 0 HB VAL A 36 45.187 13.065 -34.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.182 11.693 -32.403 1.00 0.00 H new ATOM 0 HG12 VAL A 36 43.742 13.411 -32.255 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.565 12.244 -32.903 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.607 10.701 -34.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.021 11.211 -35.217 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.507 11.682 -36.074 1.00 0.00 H new ATOM 529 N SER A 37 41.680 15.007 -33.607 1.00 0.00 N ATOM 530 CA SER A 37 41.162 15.958 -32.633 1.00 0.00 C ATOM 531 C SER A 37 40.382 15.244 -31.534 1.00 0.00 C ATOM 532 O SER A 37 39.424 14.522 -31.807 1.00 0.00 O ATOM 533 CB SER A 37 40.270 16.992 -33.325 1.00 0.00 C ATOM 534 OG SER A 37 39.725 17.906 -32.390 1.00 0.00 O ATOM 0 H SER A 37 40.974 14.394 -34.015 1.00 0.00 H new ATOM 0 HA SER A 37 42.009 16.469 -32.174 1.00 0.00 H new ATOM 0 HB2 SER A 37 40.850 17.534 -34.072 1.00 0.00 H new ATOM 0 HB3 SER A 37 39.463 16.484 -33.854 1.00 0.00 H new ATOM 0 HG SER A 37 39.161 18.556 -32.859 1.00 0.00 H new ATOM 540 N CYS A 38 40.801 15.453 -30.290 1.00 0.00 N ATOM 541 CA CYS A 38 40.145 14.834 -29.144 1.00 0.00 C ATOM 542 C CYS A 38 39.750 15.893 -28.119 1.00 0.00 C ATOM 543 O CYS A 38 40.241 17.021 -28.159 1.00 0.00 O ATOM 544 CB CYS A 38 41.065 13.796 -28.495 1.00 0.00 C ATOM 545 SG CYS A 38 42.549 13.381 -29.474 1.00 0.00 S ATOM 0 H CYS A 38 41.594 16.048 -30.050 1.00 0.00 H new ATOM 0 HA CYS A 38 39.244 14.332 -29.497 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.381 14.168 -27.520 1.00 0.00 H new ATOM 0 HB3 CYS A 38 40.495 12.884 -28.319 1.00 0.00 H new ATOM 550 N GLN A 39 38.858 15.528 -27.203 1.00 0.00 N ATOM 551 CA GLN A 39 38.401 16.455 -26.175 1.00 0.00 C ATOM 552 C GLN A 39 38.507 15.834 -24.787 1.00 0.00 C ATOM 553 O GLN A 39 37.768 14.909 -24.451 1.00 0.00 O ATOM 554 CB GLN A 39 36.958 16.879 -26.447 1.00 0.00 C ATOM 555 CG GLN A 39 36.571 16.815 -27.915 1.00 0.00 C ATOM 556 CD GLN A 39 35.129 17.217 -28.154 1.00 0.00 C ATOM 557 OE1 GLN A 39 34.321 16.422 -28.632 1.00 0.00 O ATOM 558 NE2 GLN A 39 34.799 18.459 -27.819 1.00 0.00 N ATOM 0 H GLN A 39 38.439 14.600 -27.152 1.00 0.00 H new ATOM 0 HA GLN A 39 39.045 17.334 -26.206 1.00 0.00 H new ATOM 0 HB2 GLN A 39 36.286 16.239 -25.875 1.00 0.00 H new ATOM 0 HB3 GLN A 39 36.813 17.897 -26.086 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.227 17.469 -28.489 1.00 0.00 H new ATOM 0 HG3 GLN A 39 36.728 15.802 -28.285 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.502 19.085 -27.425 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.843 18.787 -27.955 1.00 0.00 H new ATOM 636 N GLN A 45 27.681 22.884 -22.784 1.00 0.00 N ATOM 637 CA GLN A 45 27.045 24.052 -22.185 1.00 0.00 C ATOM 638 C GLN A 45 25.769 24.417 -22.938 1.00 0.00 C ATOM 639 O GLN A 45 24.683 24.459 -22.359 1.00 0.00 O ATOM 640 CB GLN A 45 28.009 25.241 -22.182 1.00 0.00 C ATOM 641 CG GLN A 45 29.474 24.836 -22.215 1.00 0.00 C ATOM 642 CD GLN A 45 29.967 24.320 -20.877 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.588 23.261 -20.799 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.692 25.069 -19.816 1.00 0.00 N ATOM 0 HA GLN A 45 26.783 23.806 -21.156 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.796 25.873 -23.044 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.827 25.843 -21.292 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.617 24.065 -22.972 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.077 25.693 -22.514 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.174 25.941 -19.927 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.999 24.773 -18.889 1.00 0.00 H new ATOM 653 N THR A 46 25.909 24.673 -24.234 1.00 0.00 N ATOM 654 CA THR A 46 24.769 25.028 -25.071 1.00 0.00 C ATOM 655 C THR A 46 24.094 26.303 -24.578 1.00 0.00 C ATOM 656 O THR A 46 24.049 26.569 -23.377 1.00 0.00 O ATOM 657 CB THR A 46 23.728 23.894 -25.113 1.00 0.00 C ATOM 658 OG1 THR A 46 22.988 23.864 -23.886 1.00 0.00 O ATOM 659 CG2 THR A 46 24.405 22.550 -25.338 1.00 0.00 C ATOM 0 H THR A 46 26.801 24.641 -24.728 1.00 0.00 H new ATOM 0 HA THR A 46 25.158 25.194 -26.076 1.00 0.00 H new ATOM 0 HB THR A 46 23.046 24.083 -25.942 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.606 23.745 -23.134 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.651 21.763 -25.364 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.944 22.568 -26.285 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.105 22.355 -24.526 1.00 0.00 H new ATOM 667 N TYR A 47 23.572 27.087 -25.516 1.00 0.00 N ATOM 668 CA TYR A 47 22.899 28.335 -25.181 1.00 0.00 C ATOM 669 C TYR A 47 21.564 28.449 -25.912 1.00 0.00 C ATOM 670 O TYR A 47 20.578 28.928 -25.352 1.00 0.00 O ATOM 671 CB TYR A 47 23.789 29.527 -25.535 1.00 0.00 C ATOM 672 CG TYR A 47 24.519 29.366 -26.850 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.837 29.450 -28.057 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.887 29.131 -26.883 1.00 0.00 C ATOM 675 CE1 TYR A 47 24.499 29.303 -29.262 1.00 0.00 C ATOM 676 CE2 TYR A 47 26.556 28.983 -28.084 1.00 0.00 C ATOM 677 CZ TYR A 47 25.858 29.071 -29.270 1.00 0.00 C ATOM 678 OH TYR A 47 26.520 28.924 -30.466 1.00 0.00 O ATOM 0 H TYR A 47 23.603 26.879 -26.514 1.00 0.00 H new ATOM 0 HA TYR A 47 22.706 28.338 -24.108 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.177 30.428 -25.577 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.519 29.674 -24.739 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.773 29.633 -28.054 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.437 29.063 -25.956 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.954 29.370 -30.192 1.00 0.00 H new ATOM 0 HE2 TYR A 47 27.620 28.799 -28.093 1.00 0.00 H new ATOM 0 HH TYR A 47 27.472 28.767 -30.296 1.00 0.00 H new ATOM 688 N GLY A 48 21.542 28.005 -27.163 1.00 0.00 N ATOM 689 CA GLY A 48 20.325 28.067 -27.950 1.00 0.00 C ATOM 690 C GLY A 48 20.340 27.106 -29.122 1.00 0.00 C ATOM 691 O GLY A 48 20.684 25.934 -28.970 1.00 0.00 O ATOM 0 H GLY A 48 22.345 27.603 -27.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.471 27.842 -27.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.187 29.083 -28.320 1.00 0.00 H new ATOM 695 N GLY A 49 19.963 27.603 -30.297 1.00 0.00 N ATOM 696 CA GLY A 49 19.939 26.766 -31.482 1.00 0.00 C ATOM 697 C GLY A 49 18.569 26.166 -31.733 1.00 0.00 C ATOM 698 O GLY A 49 17.657 26.852 -32.193 1.00 0.00 O ATOM 0 H GLY A 49 19.674 28.569 -30.449 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.239 27.356 -32.348 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.670 25.965 -31.374 1.00 0.00 H new ATOM 702 N ASN A 50 18.424 24.882 -31.423 1.00 0.00 N ATOM 703 CA ASN A 50 17.156 24.188 -31.610 1.00 0.00 C ATOM 704 C ASN A 50 16.609 23.705 -30.272 1.00 0.00 C ATOM 705 O ASN A 50 15.445 23.320 -30.167 1.00 0.00 O ATOM 706 CB ASN A 50 17.333 23.003 -32.561 1.00 0.00 C ATOM 707 CG ASN A 50 16.206 22.896 -33.569 1.00 0.00 C ATOM 708 OD1 ASN A 50 15.036 22.792 -33.201 1.00 0.00 O ATOM 709 ND2 ASN A 50 16.553 22.920 -34.851 1.00 0.00 N ATOM 0 H ASN A 50 19.170 24.301 -31.041 1.00 0.00 H new ATOM 0 HA ASN A 50 16.444 24.888 -32.047 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.281 23.104 -33.090 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.387 22.081 -31.982 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.837 22.851 -35.574 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.535 23.008 -35.112 1.00 0.00 H new ATOM 716 N SER A 51 17.460 23.731 -29.250 1.00 0.00 N ATOM 717 CA SER A 51 17.069 23.297 -27.915 1.00 0.00 C ATOM 718 C SER A 51 16.805 24.497 -27.011 1.00 0.00 C ATOM 719 O SER A 51 16.171 24.369 -25.963 1.00 0.00 O ATOM 720 CB SER A 51 18.159 22.415 -27.308 1.00 0.00 C ATOM 721 OG SER A 51 18.466 22.820 -25.985 1.00 0.00 O ATOM 0 H SER A 51 18.426 24.049 -29.323 1.00 0.00 H new ATOM 0 HA SER A 51 16.148 22.720 -27.999 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.831 21.376 -27.306 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.057 22.465 -27.924 1.00 0.00 H new ATOM 0 HG SER A 51 19.195 23.475 -26.004 1.00 0.00 H new ATOM 727 N ASN A 52 17.294 25.663 -27.423 1.00 0.00 N ATOM 728 CA ASN A 52 17.111 26.886 -26.651 1.00 0.00 C ATOM 729 C ASN A 52 17.884 26.821 -25.338 1.00 0.00 C ATOM 730 O ASN A 52 17.568 27.532 -24.383 1.00 0.00 O ATOM 731 CB ASN A 52 15.624 27.115 -26.378 1.00 0.00 C ATOM 732 CG ASN A 52 15.377 28.309 -25.475 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.887 29.402 -25.718 1.00 0.00 O ATOM 734 ND2 ASN A 52 14.591 28.103 -24.424 1.00 0.00 N ATOM 0 H ASN A 52 17.820 25.786 -28.288 1.00 0.00 H new ATOM 0 HA ASN A 52 17.499 27.722 -27.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.103 27.265 -27.324 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.200 26.222 -25.918 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.389 28.868 -23.780 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.189 27.180 -24.261 1.00 0.00 H new ATOM 741 N GLY A 53 18.902 25.967 -25.297 1.00 0.00 N ATOM 742 CA GLY A 53 19.704 25.829 -24.097 1.00 0.00 C ATOM 743 C GLY A 53 19.235 24.693 -23.211 1.00 0.00 C ATOM 744 O GLY A 53 18.597 24.920 -22.183 1.00 0.00 O ATOM 0 H GLY A 53 19.185 25.369 -26.073 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.744 25.661 -24.377 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.672 26.762 -23.534 1.00 0.00 H new ATOM 748 N GLU A 54 19.552 23.464 -23.609 1.00 0.00 N ATOM 749 CA GLU A 54 19.156 22.290 -22.843 1.00 0.00 C ATOM 750 C GLU A 54 20.305 21.296 -22.730 1.00 0.00 C ATOM 751 O GLU A 54 21.311 21.407 -23.429 1.00 0.00 O ATOM 752 CB GLU A 54 17.948 21.616 -23.488 1.00 0.00 C ATOM 753 CG GLU A 54 16.711 22.495 -23.506 1.00 0.00 C ATOM 754 CD GLU A 54 15.480 21.782 -22.982 1.00 0.00 C ATOM 755 OE1 GLU A 54 15.357 20.561 -23.213 1.00 0.00 O ATOM 756 OE2 GLU A 54 14.639 22.445 -22.339 1.00 0.00 O ATOM 0 H GLU A 54 20.081 23.257 -24.456 1.00 0.00 H new ATOM 0 HA GLU A 54 18.887 22.621 -21.840 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.200 21.334 -24.510 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.724 20.695 -22.950 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.894 23.385 -22.904 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.524 22.832 -24.526 1.00 0.00 H new ATOM 763 N PRO A 55 20.160 20.304 -21.841 1.00 0.00 N ATOM 764 CA PRO A 55 21.176 19.273 -21.622 1.00 0.00 C ATOM 765 C PRO A 55 21.285 18.318 -22.806 1.00 0.00 C ATOM 766 O PRO A 55 20.315 17.651 -23.167 1.00 0.00 O ATOM 767 CB PRO A 55 20.680 18.519 -20.378 1.00 0.00 C ATOM 768 CG PRO A 55 19.560 19.340 -19.824 1.00 0.00 C ATOM 769 CD PRO A 55 18.992 20.109 -20.979 1.00 0.00 C ATOM 0 HA PRO A 55 22.169 19.706 -21.500 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.339 17.517 -20.638 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.479 18.403 -19.646 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.800 18.705 -19.368 1.00 0.00 H new ATOM 0 HG3 PRO A 55 19.919 20.014 -19.047 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.203 19.554 -21.486 1.00 0.00 H new ATOM 0 HD3 PRO A 55 18.561 21.058 -20.661 1.00 0.00 H new ATOM 777 N CYS A 56 22.469 18.255 -23.406 1.00 0.00 N ATOM 778 CA CYS A 56 22.695 17.377 -24.548 1.00 0.00 C ATOM 779 C CYS A 56 22.411 15.925 -24.176 1.00 0.00 C ATOM 780 O CYS A 56 22.164 15.610 -23.013 1.00 0.00 O ATOM 781 CB CYS A 56 24.129 17.526 -25.059 1.00 0.00 C ATOM 782 SG CYS A 56 24.641 19.253 -25.334 1.00 0.00 S ATOM 0 H CYS A 56 23.284 18.799 -23.122 1.00 0.00 H new ATOM 0 HA CYS A 56 22.010 17.667 -25.344 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.809 17.066 -24.342 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.230 16.974 -25.994 1.00 0.00 H new ATOM 787 N VAL A 57 22.436 15.046 -25.172 1.00 0.00 N ATOM 788 CA VAL A 57 22.169 13.630 -24.946 1.00 0.00 C ATOM 789 C VAL A 57 23.163 12.745 -25.691 1.00 0.00 C ATOM 790 O VAL A 57 22.782 11.971 -26.570 1.00 0.00 O ATOM 791 CB VAL A 57 20.739 13.261 -25.383 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.614 13.304 -26.899 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.352 11.890 -24.847 1.00 0.00 C ATOM 0 H VAL A 57 22.638 15.288 -26.142 1.00 0.00 H new ATOM 0 HA VAL A 57 22.277 13.456 -23.875 1.00 0.00 H new ATOM 0 HB VAL A 57 20.051 13.996 -24.965 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.597 13.040 -27.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.843 14.308 -27.255 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.312 12.594 -27.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.338 11.647 -25.166 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.043 11.140 -25.232 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.397 11.899 -23.758 1.00 0.00 H new ATOM 803 N LEU A 58 24.437 12.855 -25.329 1.00 0.00 N ATOM 804 CA LEU A 58 25.479 12.053 -25.964 1.00 0.00 C ATOM 805 C LEU A 58 25.990 10.982 -25.004 1.00 0.00 C ATOM 806 O LEU A 58 25.713 11.031 -23.806 1.00 0.00 O ATOM 807 CB LEU A 58 26.638 12.942 -26.421 1.00 0.00 C ATOM 808 CG LEU A 58 26.827 14.233 -25.622 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.670 15.186 -25.867 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.966 13.927 -24.139 1.00 0.00 C ATOM 0 H LEU A 58 24.773 13.488 -24.603 1.00 0.00 H new ATOM 0 HA LEU A 58 25.047 11.564 -26.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.560 12.364 -26.369 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.484 13.202 -27.468 1.00 0.00 H new ATOM 0 HG LEU A 58 27.744 14.716 -25.959 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.822 16.098 -25.290 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.619 15.431 -26.928 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.738 14.713 -25.559 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.100 14.857 -23.587 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.067 13.421 -23.786 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.831 13.283 -23.980 1.00 0.00 H new ATOM 822 N PRO A 59 26.743 9.991 -25.515 1.00 0.00 N ATOM 823 CA PRO A 59 27.100 9.891 -26.936 1.00 0.00 C ATOM 824 C PRO A 59 25.899 9.696 -27.850 1.00 0.00 C ATOM 825 O PRO A 59 25.121 8.758 -27.679 1.00 0.00 O ATOM 826 CB PRO A 59 27.987 8.644 -27.002 1.00 0.00 C ATOM 827 CG PRO A 59 27.648 7.866 -25.780 1.00 0.00 C ATOM 828 CD PRO A 59 27.316 8.885 -24.732 1.00 0.00 C ATOM 0 HA PRO A 59 27.577 10.810 -27.277 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.790 8.066 -27.905 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.044 8.911 -27.019 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.804 7.200 -25.961 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.485 7.242 -25.468 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.605 8.497 -24.002 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.201 9.198 -24.179 1.00 0.00 H new ATOM 836 N PHE A 60 25.770 10.570 -28.843 1.00 0.00 N ATOM 837 CA PHE A 60 24.682 10.468 -29.804 1.00 0.00 C ATOM 838 C PHE A 60 25.226 9.955 -31.130 1.00 0.00 C ATOM 839 O PHE A 60 26.435 9.796 -31.288 1.00 0.00 O ATOM 840 CB PHE A 60 23.988 11.818 -29.998 1.00 0.00 C ATOM 841 CG PHE A 60 24.933 12.971 -30.152 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.707 13.101 -31.293 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.042 13.932 -29.159 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.575 14.166 -31.440 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.907 14.999 -29.301 1.00 0.00 C ATOM 846 CZ PHE A 60 26.674 15.117 -30.443 1.00 0.00 C ATOM 0 H PHE A 60 26.404 11.353 -29.002 1.00 0.00 H new ATOM 0 HA PHE A 60 23.940 9.768 -29.420 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.350 11.764 -30.880 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.337 12.006 -29.145 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.631 12.362 -32.077 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.444 13.845 -28.264 1.00 0.00 H new ATOM 0 HE1 PHE A 60 27.175 14.255 -32.333 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.983 15.741 -28.520 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.350 15.951 -30.557 1.00 0.00 H new ATOM 856 N THR A 61 24.341 9.685 -32.079 1.00 0.00 N ATOM 857 CA THR A 61 24.767 9.178 -33.376 1.00 0.00 C ATOM 858 C THR A 61 24.279 10.066 -34.512 1.00 0.00 C ATOM 859 O THR A 61 23.084 10.333 -34.639 1.00 0.00 O ATOM 860 CB THR A 61 24.262 7.743 -33.613 1.00 0.00 C ATOM 861 OG1 THR A 61 23.789 7.180 -32.384 1.00 0.00 O ATOM 862 CG2 THR A 61 25.369 6.870 -34.185 1.00 0.00 C ATOM 0 H THR A 61 23.333 9.807 -31.978 1.00 0.00 H new ATOM 0 HA THR A 61 25.857 9.179 -33.365 1.00 0.00 H new ATOM 0 HB THR A 61 23.443 7.782 -34.331 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.468 6.268 -32.544 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.990 5.860 -34.345 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.706 7.286 -35.135 1.00 0.00 H new ATOM 0 HG23 THR A 61 26.205 6.838 -33.486 1.00 0.00 H new ATOM 870 N TYR A 62 25.215 10.512 -35.341 1.00 0.00 N ATOM 871 CA TYR A 62 24.886 11.361 -36.476 1.00 0.00 C ATOM 872 C TYR A 62 25.750 11.007 -37.682 1.00 0.00 C ATOM 873 O TYR A 62 26.976 10.948 -37.582 1.00 0.00 O ATOM 874 CB TYR A 62 25.069 12.836 -36.119 1.00 0.00 C ATOM 875 CG TYR A 62 24.967 13.759 -37.313 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.761 13.929 -37.982 1.00 0.00 C ATOM 877 CD2 TYR A 62 26.076 14.456 -37.774 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.663 14.767 -39.076 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.987 15.297 -38.868 1.00 0.00 C ATOM 880 CZ TYR A 62 24.779 15.449 -39.515 1.00 0.00 C ATOM 881 OH TYR A 62 24.687 16.285 -40.605 1.00 0.00 O ATOM 0 H TYR A 62 26.208 10.299 -35.247 1.00 0.00 H new ATOM 0 HA TYR A 62 23.840 11.190 -36.731 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.316 13.120 -35.384 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.042 12.970 -35.647 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.885 13.397 -37.641 1.00 0.00 H new ATOM 0 HD2 TYR A 62 27.024 14.339 -37.270 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.718 14.888 -39.585 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.859 15.832 -39.214 1.00 0.00 H new ATOM 0 HH TYR A 62 23.782 16.658 -40.656 1.00 0.00 H new ATOM 891 N ASN A 63 25.106 10.773 -38.819 1.00 0.00 N ATOM 892 CA ASN A 63 25.820 10.422 -40.040 1.00 0.00 C ATOM 893 C ASN A 63 26.392 9.009 -39.952 1.00 0.00 C ATOM 894 O ASN A 63 27.093 8.557 -40.857 1.00 0.00 O ATOM 895 CB ASN A 63 26.945 11.424 -40.302 1.00 0.00 C ATOM 896 CG ASN A 63 26.766 12.167 -41.610 1.00 0.00 C ATOM 897 OD1 ASN A 63 26.014 11.737 -42.485 1.00 0.00 O ATOM 898 ND2 ASN A 63 27.460 13.290 -41.751 1.00 0.00 N ATOM 0 H ASN A 63 24.092 10.820 -38.921 1.00 0.00 H new ATOM 0 HA ASN A 63 25.111 10.455 -40.867 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.986 12.142 -39.483 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.900 10.899 -40.314 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.382 13.833 -42.611 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.072 13.609 -41.000 1.00 0.00 H new ATOM 905 N GLY A 64 26.087 8.316 -38.860 1.00 0.00 N ATOM 906 CA GLY A 64 26.577 6.962 -38.680 1.00 0.00 C ATOM 907 C GLY A 64 27.661 6.868 -37.623 1.00 0.00 C ATOM 908 O GLY A 64 28.048 5.771 -37.220 1.00 0.00 O ATOM 0 H GLY A 64 25.509 8.668 -38.097 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.746 6.313 -38.402 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.967 6.592 -39.628 1.00 0.00 H new ATOM 912 N ARG A 65 28.155 8.017 -37.175 1.00 0.00 N ATOM 913 CA ARG A 65 29.202 8.054 -36.161 1.00 0.00 C ATOM 914 C ARG A 65 28.628 8.416 -34.795 1.00 0.00 C ATOM 915 O ARG A 65 27.412 8.420 -34.602 1.00 0.00 O ATOM 916 CB ARG A 65 30.288 9.055 -36.557 1.00 0.00 C ATOM 917 CG ARG A 65 29.778 10.478 -36.719 1.00 0.00 C ATOM 918 CD ARG A 65 29.861 10.936 -38.166 1.00 0.00 C ATOM 919 NE ARG A 65 30.760 12.074 -38.326 1.00 0.00 N ATOM 920 CZ ARG A 65 32.080 11.961 -38.431 1.00 0.00 C ATOM 921 NH1 ARG A 65 32.649 10.763 -38.394 1.00 0.00 N ATOM 922 NH2 ARG A 65 32.833 13.043 -38.574 1.00 0.00 N ATOM 0 H ARG A 65 27.847 8.934 -37.498 1.00 0.00 H new ATOM 0 HA ARG A 65 29.643 7.059 -36.093 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.073 9.044 -35.801 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.743 8.733 -37.494 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.745 10.537 -36.376 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.362 11.149 -36.089 1.00 0.00 H new ATOM 0 HD2 ARG A 65 30.206 10.111 -38.789 1.00 0.00 H new ATOM 0 HD3 ARG A 65 28.866 11.207 -38.519 1.00 0.00 H new ATOM 0 HE ARG A 65 30.353 13.009 -38.359 1.00 0.00 H new ATOM 0 HH11 ARG A 65 32.073 9.928 -38.285 1.00 0.00 H new ATOM 0 HH12 ARG A 65 33.662 10.677 -38.475 1.00 0.00 H new ATOM 0 HH21 ARG A 65 32.399 13.966 -38.604 1.00 0.00 H new ATOM 0 HH22 ARG A 65 33.846 12.953 -38.654 1.00 0.00 H new ATOM 936 N THR A 66 29.512 8.721 -33.848 1.00 0.00 N ATOM 937 CA THR A 66 29.092 9.084 -32.500 1.00 0.00 C ATOM 938 C THR A 66 29.936 10.227 -31.947 1.00 0.00 C ATOM 939 O THR A 66 31.086 10.413 -32.342 1.00 0.00 O ATOM 940 CB THR A 66 29.186 7.886 -31.539 1.00 0.00 C ATOM 941 OG1 THR A 66 28.436 6.779 -32.055 1.00 0.00 O ATOM 942 CG2 THR A 66 28.665 8.258 -30.158 1.00 0.00 C ATOM 0 H THR A 66 30.522 8.724 -33.990 1.00 0.00 H new ATOM 0 HA THR A 66 28.053 9.404 -32.572 1.00 0.00 H new ATOM 0 HB THR A 66 30.235 7.602 -31.451 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.504 6.022 -31.437 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.741 7.396 -29.496 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.258 9.079 -29.754 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.622 8.566 -30.233 1.00 0.00 H new ATOM 950 N PHE A 67 29.357 10.990 -31.026 1.00 0.00 N ATOM 951 CA PHE A 67 30.054 12.115 -30.412 1.00 0.00 C ATOM 952 C PHE A 67 29.726 12.204 -28.925 1.00 0.00 C ATOM 953 O PHE A 67 28.561 12.139 -28.532 1.00 0.00 O ATOM 954 CB PHE A 67 29.674 13.418 -31.117 1.00 0.00 C ATOM 955 CG PHE A 67 29.460 13.255 -32.595 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.447 12.441 -33.077 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.272 13.916 -33.502 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.248 12.290 -34.437 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.078 13.769 -34.863 1.00 0.00 C ATOM 960 CZ PHE A 67 29.065 12.954 -35.331 1.00 0.00 C ATOM 0 H PHE A 67 28.405 10.850 -30.688 1.00 0.00 H new ATOM 0 HA PHE A 67 31.127 11.956 -30.518 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.764 13.814 -30.667 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.459 14.155 -30.950 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.806 11.919 -32.382 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.066 14.554 -33.142 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.455 11.653 -34.800 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.718 14.291 -35.560 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.912 12.836 -36.394 1.00 0.00 H new ATOM 970 N TYR A 68 30.762 12.342 -28.102 1.00 0.00 N ATOM 971 CA TYR A 68 30.588 12.426 -26.654 1.00 0.00 C ATOM 972 C TYR A 68 30.219 13.840 -26.216 1.00 0.00 C ATOM 973 O TYR A 68 29.949 14.079 -25.040 1.00 0.00 O ATOM 974 CB TYR A 68 31.867 11.982 -25.940 1.00 0.00 C ATOM 975 CG TYR A 68 31.984 10.483 -25.793 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.163 9.638 -26.521 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.913 9.915 -24.930 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.260 8.266 -26.400 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.017 8.542 -24.802 1.00 0.00 C ATOM 980 CZ TYR A 68 32.189 7.723 -25.539 1.00 0.00 C ATOM 981 OH TYR A 68 32.288 6.356 -25.413 1.00 0.00 O ATOM 0 H TYR A 68 31.732 12.398 -28.413 1.00 0.00 H new ATOM 0 HA TYR A 68 29.769 11.761 -26.381 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.730 12.354 -26.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.900 12.440 -24.951 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.433 10.060 -27.196 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.563 10.555 -24.351 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.612 7.622 -26.976 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.744 8.113 -24.128 1.00 0.00 H new ATOM 0 HH TYR A 68 32.033 5.930 -26.258 1.00 0.00 H new ATOM 991 N SER A 69 30.214 14.775 -27.159 1.00 0.00 N ATOM 992 CA SER A 69 29.881 16.159 -26.839 1.00 0.00 C ATOM 993 C SER A 69 29.553 16.964 -28.091 1.00 0.00 C ATOM 994 O SER A 69 29.224 16.408 -29.138 1.00 0.00 O ATOM 995 CB SER A 69 31.038 16.818 -26.087 1.00 0.00 C ATOM 996 OG SER A 69 31.697 15.889 -25.245 1.00 0.00 O ATOM 0 H SER A 69 30.434 14.604 -28.140 1.00 0.00 H new ATOM 0 HA SER A 69 28.994 16.147 -26.206 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.749 17.234 -26.801 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.661 17.649 -25.491 1.00 0.00 H new ATOM 0 HG SER A 69 31.033 15.320 -24.803 1.00 0.00 H new ATOM 1002 N CYS A 70 29.646 18.284 -27.963 1.00 0.00 N ATOM 1003 CA CYS A 70 29.359 19.190 -29.070 1.00 0.00 C ATOM 1004 C CYS A 70 30.042 18.717 -30.349 1.00 0.00 C ATOM 1005 O CYS A 70 30.966 17.904 -30.306 1.00 0.00 O ATOM 1006 CB CYS A 70 29.815 20.614 -28.732 1.00 0.00 C ATOM 1007 SG CYS A 70 29.598 21.087 -26.982 1.00 0.00 S ATOM 0 H CYS A 70 29.919 18.752 -27.099 1.00 0.00 H new ATOM 0 HA CYS A 70 28.281 19.193 -29.231 1.00 0.00 H new ATOM 0 HB2 CYS A 70 30.868 20.716 -28.994 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.262 21.316 -29.356 1.00 0.00 H new ATOM 1012 N THR A 71 29.584 19.230 -31.488 1.00 0.00 N ATOM 1013 CA THR A 71 30.155 18.856 -32.777 1.00 0.00 C ATOM 1014 C THR A 71 29.688 19.795 -33.884 1.00 0.00 C ATOM 1015 O THR A 71 28.610 20.383 -33.800 1.00 0.00 O ATOM 1016 CB THR A 71 29.782 17.412 -33.160 1.00 0.00 C ATOM 1017 OG1 THR A 71 30.667 16.932 -34.180 1.00 0.00 O ATOM 1018 CG2 THR A 71 28.344 17.337 -33.651 1.00 0.00 C ATOM 0 H THR A 71 28.821 19.904 -31.544 1.00 0.00 H new ATOM 0 HA THR A 71 31.237 18.932 -32.672 1.00 0.00 H new ATOM 0 HB THR A 71 29.879 16.787 -32.272 1.00 0.00 H new ATOM 0 HG1 THR A 71 30.574 15.960 -34.263 1.00 0.00 H new ATOM 0 HG21 THR A 71 28.103 16.307 -33.916 1.00 0.00 H new ATOM 0 HG22 THR A 71 27.672 17.676 -32.862 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.225 17.974 -34.527 1.00 0.00 H new ATOM 1026 N THR A 72 30.507 19.927 -34.921 1.00 0.00 N ATOM 1027 CA THR A 72 30.181 20.792 -36.049 1.00 0.00 C ATOM 1028 C THR A 72 30.083 19.989 -37.341 1.00 0.00 C ATOM 1029 O THR A 72 30.284 20.520 -38.433 1.00 0.00 O ATOM 1030 CB THR A 72 31.233 21.902 -36.227 1.00 0.00 C ATOM 1031 OG1 THR A 72 32.535 21.324 -36.382 1.00 0.00 O ATOM 1032 CG2 THR A 72 31.230 22.843 -35.030 1.00 0.00 C ATOM 0 H THR A 72 31.402 19.446 -35.004 1.00 0.00 H new ATOM 0 HA THR A 72 29.216 21.249 -35.832 1.00 0.00 H new ATOM 0 HB THR A 72 30.981 22.472 -37.121 1.00 0.00 H new ATOM 0 HG1 THR A 72 33.198 22.037 -36.496 1.00 0.00 H new ATOM 0 HG21 THR A 72 31.981 23.620 -35.176 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.247 23.303 -34.931 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.461 22.281 -34.125 1.00 0.00 H new ATOM 1040 N GLU A 73 29.773 18.702 -37.207 1.00 0.00 N ATOM 1041 CA GLU A 73 29.651 17.820 -38.361 1.00 0.00 C ATOM 1042 C GLU A 73 28.297 17.990 -39.039 1.00 0.00 C ATOM 1043 O GLU A 73 28.215 18.139 -40.258 1.00 0.00 O ATOM 1044 CB GLU A 73 29.841 16.363 -37.935 1.00 0.00 C ATOM 1045 CG GLU A 73 31.290 15.994 -37.666 1.00 0.00 C ATOM 1046 CD GLU A 73 32.190 16.274 -38.853 1.00 0.00 C ATOM 1047 OE1 GLU A 73 31.739 16.070 -39.999 1.00 0.00 O ATOM 1048 OE2 GLU A 73 33.344 16.696 -38.637 1.00 0.00 O ATOM 0 H GLU A 73 29.602 18.248 -36.310 1.00 0.00 H new ATOM 0 HA GLU A 73 30.429 18.089 -39.075 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.254 16.176 -37.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.447 15.711 -38.714 1.00 0.00 H new ATOM 0 HG2 GLU A 73 31.649 16.553 -36.802 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.351 14.936 -37.410 1.00 0.00 H new ATOM 1055 N GLY A 74 27.239 17.962 -38.241 1.00 0.00 N ATOM 1056 CA GLY A 74 25.900 18.111 -38.779 1.00 0.00 C ATOM 1057 C GLY A 74 25.377 19.528 -38.659 1.00 0.00 C ATOM 1058 O GLY A 74 24.343 19.766 -38.035 1.00 0.00 O ATOM 0 H GLY A 74 27.283 17.839 -37.229 1.00 0.00 H new ATOM 0 HA2 GLY A 74 25.899 17.815 -39.828 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.225 17.433 -38.256 1.00 0.00 H new ATOM 1122 N HIS A 79 28.279 27.314 -35.358 1.00 0.00 N ATOM 1123 CA HIS A 79 28.182 27.173 -33.910 1.00 0.00 C ATOM 1124 C HIS A 79 28.084 25.704 -33.509 1.00 0.00 C ATOM 1125 O HIS A 79 27.219 24.976 -33.996 1.00 0.00 O ATOM 1126 CB HIS A 79 26.960 27.932 -33.387 1.00 0.00 C ATOM 1127 CG HIS A 79 26.507 29.035 -34.291 1.00 0.00 C ATOM 1128 ND1 HIS A 79 25.439 28.909 -35.155 1.00 0.00 N ATOM 1129 CD2 HIS A 79 26.978 30.293 -34.461 1.00 0.00 C ATOM 1130 CE1 HIS A 79 25.275 30.040 -35.818 1.00 0.00 C ATOM 1131 NE2 HIS A 79 26.195 30.896 -35.415 1.00 0.00 N ATOM 0 HA HIS A 79 29.086 27.593 -33.469 1.00 0.00 H new ATOM 0 HB2 HIS A 79 26.139 27.229 -33.246 1.00 0.00 H new ATOM 0 HB3 HIS A 79 27.194 28.349 -32.408 1.00 0.00 H new ATOM 0 HD1 HIS A 79 24.865 28.073 -35.265 1.00 0.00 H new ATOM 0 HD2 HIS A 79 27.814 30.739 -33.943 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.517 30.231 -36.563 1.00 0.00 H new ATOM 1140 N LEU A 80 28.967 25.273 -32.612 1.00 0.00 N ATOM 1141 CA LEU A 80 28.960 23.893 -32.146 1.00 0.00 C ATOM 1142 C LEU A 80 27.557 23.499 -31.701 1.00 0.00 C ATOM 1143 O LEU A 80 26.848 24.296 -31.086 1.00 0.00 O ATOM 1144 CB LEU A 80 29.949 23.714 -30.994 1.00 0.00 C ATOM 1145 CG LEU A 80 31.395 23.449 -31.417 1.00 0.00 C ATOM 1146 CD1 LEU A 80 31.841 24.464 -32.458 1.00 0.00 C ATOM 1147 CD2 LEU A 80 32.318 23.482 -30.208 1.00 0.00 C ATOM 0 H LEU A 80 29.692 25.857 -32.196 1.00 0.00 H new ATOM 0 HA LEU A 80 29.265 23.245 -32.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 29.926 24.610 -30.373 1.00 0.00 H new ATOM 0 HB3 LEU A 80 29.611 22.886 -30.371 1.00 0.00 H new ATOM 0 HG LEU A 80 31.447 22.456 -31.862 1.00 0.00 H new ATOM 0 HD11 LEU A 80 32.872 24.260 -32.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 31.197 24.393 -33.335 1.00 0.00 H new ATOM 0 HD13 LEU A 80 31.774 25.468 -32.039 1.00 0.00 H new ATOM 0 HD21 LEU A 80 33.343 23.292 -30.527 1.00 0.00 H new ATOM 0 HD22 LEU A 80 32.262 24.462 -29.734 1.00 0.00 H new ATOM 0 HD23 LEU A 80 32.012 22.716 -29.495 1.00 0.00 H new ATOM 1159 N TRP A 81 27.151 22.277 -32.022 1.00 0.00 N ATOM 1160 CA TRP A 81 25.822 21.805 -31.659 1.00 0.00 C ATOM 1161 C TRP A 81 25.860 20.391 -31.092 1.00 0.00 C ATOM 1162 O TRP A 81 26.807 19.638 -31.325 1.00 0.00 O ATOM 1163 CB TRP A 81 24.903 21.842 -32.880 1.00 0.00 C ATOM 1164 CG TRP A 81 25.292 20.860 -33.942 1.00 0.00 C ATOM 1165 CD1 TRP A 81 26.047 21.110 -35.053 1.00 0.00 C ATOM 1166 CD2 TRP A 81 24.949 19.471 -33.993 1.00 0.00 C ATOM 1167 NE1 TRP A 81 26.190 19.960 -35.793 1.00 0.00 N ATOM 1168 CE2 TRP A 81 25.526 18.941 -35.162 1.00 0.00 C ATOM 1169 CE3 TRP A 81 24.210 18.623 -33.163 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 25.386 17.603 -35.522 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 24.071 17.295 -33.521 1.00 0.00 C ATOM 1172 CH2 TRP A 81 24.658 16.796 -34.692 1.00 0.00 C ATOM 0 H TRP A 81 27.719 21.599 -32.530 1.00 0.00 H new ATOM 0 HA TRP A 81 25.437 22.469 -30.885 1.00 0.00 H new ATOM 0 HB2 TRP A 81 23.880 21.638 -32.563 1.00 0.00 H new ATOM 0 HB3 TRP A 81 24.912 22.847 -33.303 1.00 0.00 H new ATOM 0 HD1 TRP A 81 26.469 22.070 -35.312 1.00 0.00 H new ATOM 0 HE1 TRP A 81 26.706 19.879 -36.669 1.00 0.00 H new ATOM 0 HE3 TRP A 81 23.756 18.999 -32.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 25.836 17.217 -36.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 23.501 16.631 -32.888 1.00 0.00 H new ATOM 0 HH2 TRP A 81 24.533 15.753 -34.944 1.00 0.00 H new ATOM 1183 N CYS A 82 24.812 20.038 -30.357 1.00 0.00 N ATOM 1184 CA CYS A 82 24.699 18.714 -29.759 1.00 0.00 C ATOM 1185 C CYS A 82 23.269 18.200 -29.885 1.00 0.00 C ATOM 1186 O CYS A 82 22.382 18.921 -30.344 1.00 0.00 O ATOM 1187 CB CYS A 82 25.118 18.750 -28.288 1.00 0.00 C ATOM 1188 SG CYS A 82 23.970 19.662 -27.207 1.00 0.00 S ATOM 0 H CYS A 82 24.024 20.655 -30.160 1.00 0.00 H new ATOM 0 HA CYS A 82 25.366 18.037 -30.292 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.208 17.727 -27.922 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.106 19.203 -28.214 1.00 0.00 H new ATOM 1193 N SER A 83 23.047 16.956 -29.481 1.00 0.00 N ATOM 1194 CA SER A 83 21.719 16.361 -29.558 1.00 0.00 C ATOM 1195 C SER A 83 21.034 16.375 -28.197 1.00 0.00 C ATOM 1196 O SER A 83 21.673 16.165 -27.168 1.00 0.00 O ATOM 1197 CB SER A 83 21.808 14.926 -30.083 1.00 0.00 C ATOM 1198 OG SER A 83 20.792 14.113 -29.522 1.00 0.00 O ATOM 0 H SER A 83 23.766 16.342 -29.098 1.00 0.00 H new ATOM 0 HA SER A 83 21.123 16.957 -30.249 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.719 14.927 -31.169 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.786 14.508 -29.844 1.00 0.00 H new ATOM 0 HG SER A 83 20.377 13.574 -30.228 1.00 0.00 H new ATOM 1204 N THR A 84 19.728 16.622 -28.200 1.00 0.00 N ATOM 1205 CA THR A 84 18.954 16.659 -26.965 1.00 0.00 C ATOM 1206 C THR A 84 18.076 15.420 -26.842 1.00 0.00 C ATOM 1207 O THR A 84 17.564 15.109 -25.766 1.00 0.00 O ATOM 1208 CB THR A 84 18.061 17.914 -26.893 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.997 17.811 -27.847 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.871 19.174 -27.162 1.00 0.00 C ATOM 0 H THR A 84 19.184 16.799 -29.044 1.00 0.00 H new ATOM 0 HA THR A 84 19.668 16.687 -26.142 1.00 0.00 H new ATOM 0 HB THR A 84 17.644 17.979 -25.888 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.351 17.477 -28.697 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.218 20.045 -27.105 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.662 19.264 -26.417 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.314 19.116 -28.156 1.00 0.00 H new ATOM 1218 N THR A 85 17.910 14.712 -27.956 1.00 0.00 N ATOM 1219 CA THR A 85 17.098 13.503 -27.984 1.00 0.00 C ATOM 1220 C THR A 85 17.916 12.312 -28.476 1.00 0.00 C ATOM 1221 O THR A 85 18.735 12.443 -29.385 1.00 0.00 O ATOM 1222 CB THR A 85 15.867 13.679 -28.892 1.00 0.00 C ATOM 1223 OG1 THR A 85 14.954 14.615 -28.305 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.163 12.350 -29.116 1.00 0.00 C ATOM 0 H THR A 85 18.329 14.957 -28.853 1.00 0.00 H new ATOM 0 HA THR A 85 16.762 13.316 -26.964 1.00 0.00 H new ATOM 0 HB THR A 85 16.207 14.058 -29.856 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.210 14.777 -28.922 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.297 12.501 -29.760 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.850 11.650 -29.590 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.836 11.945 -28.158 1.00 0.00 H new ATOM 1232 N SER A 86 17.690 11.151 -27.869 1.00 0.00 N ATOM 1233 CA SER A 86 18.410 9.940 -28.249 1.00 0.00 C ATOM 1234 C SER A 86 18.412 9.759 -29.762 1.00 0.00 C ATOM 1235 O SER A 86 19.418 9.360 -30.350 1.00 0.00 O ATOM 1236 CB SER A 86 17.786 8.715 -27.577 1.00 0.00 C ATOM 1237 OG SER A 86 16.763 8.156 -28.383 1.00 0.00 O ATOM 0 H SER A 86 17.016 11.023 -27.114 1.00 0.00 H new ATOM 0 HA SER A 86 19.442 10.043 -27.913 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.556 7.967 -27.391 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.376 8.998 -26.608 1.00 0.00 H new ATOM 0 HG SER A 86 16.382 7.374 -27.932 1.00 0.00 H new ATOM 1243 N ASN A 87 17.277 10.051 -30.389 1.00 0.00 N ATOM 1244 CA ASN A 87 17.146 9.920 -31.834 1.00 0.00 C ATOM 1245 C ASN A 87 17.083 11.287 -32.507 1.00 0.00 C ATOM 1246 O ASN A 87 16.020 11.721 -32.952 1.00 0.00 O ATOM 1247 CB ASN A 87 15.893 9.114 -32.181 1.00 0.00 C ATOM 1248 CG ASN A 87 16.197 7.919 -33.063 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.168 6.775 -32.609 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.491 8.180 -34.331 1.00 0.00 N ATOM 0 H ASN A 87 16.434 10.380 -29.918 1.00 0.00 H new ATOM 0 HA ASN A 87 18.027 9.395 -32.204 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.419 8.771 -31.261 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.177 9.762 -32.686 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.705 7.416 -34.973 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.503 9.144 -34.664 1.00 0.00 H new ATOM 1257 N TYR A 88 18.228 11.958 -32.585 1.00 0.00 N ATOM 1258 CA TYR A 88 18.299 13.272 -33.213 1.00 0.00 C ATOM 1259 C TYR A 88 18.196 13.137 -34.727 1.00 0.00 C ATOM 1260 O TYR A 88 17.747 14.053 -35.416 1.00 0.00 O ATOM 1261 CB TYR A 88 19.605 13.977 -32.823 1.00 0.00 C ATOM 1262 CG TYR A 88 20.138 14.921 -33.881 1.00 0.00 C ATOM 1263 CD1 TYR A 88 20.971 14.461 -34.892 1.00 0.00 C ATOM 1264 CD2 TYR A 88 19.808 16.272 -33.866 1.00 0.00 C ATOM 1265 CE1 TYR A 88 21.461 15.319 -35.859 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.293 17.135 -34.831 1.00 0.00 C ATOM 1267 CZ TYR A 88 21.119 16.654 -35.824 1.00 0.00 C ATOM 1268 OH TYR A 88 21.605 17.510 -36.785 1.00 0.00 O ATOM 0 H TYR A 88 19.117 11.614 -32.222 1.00 0.00 H new ATOM 0 HA TYR A 88 17.462 13.876 -32.861 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.442 14.536 -31.901 1.00 0.00 H new ATOM 0 HB3 TYR A 88 20.363 13.223 -32.609 1.00 0.00 H new ATOM 0 HD1 TYR A 88 21.241 13.416 -34.924 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.163 16.653 -33.088 1.00 0.00 H new ATOM 0 HE1 TYR A 88 22.109 14.945 -36.638 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.026 18.181 -34.807 1.00 0.00 H new ATOM 0 HH TYR A 88 21.269 18.415 -36.617 1.00 0.00 H new ATOM 1278 N GLU A 89 18.616 11.984 -35.236 1.00 0.00 N ATOM 1279 CA GLU A 89 18.573 11.720 -36.667 1.00 0.00 C ATOM 1280 C GLU A 89 17.148 11.838 -37.198 1.00 0.00 C ATOM 1281 O GLU A 89 16.936 12.083 -38.385 1.00 0.00 O ATOM 1282 CB GLU A 89 19.131 10.328 -36.964 1.00 0.00 C ATOM 1283 CG GLU A 89 20.438 10.030 -36.249 1.00 0.00 C ATOM 1284 CD GLU A 89 21.152 8.819 -36.816 1.00 0.00 C ATOM 1285 OE1 GLU A 89 21.007 8.558 -38.029 1.00 0.00 O ATOM 1286 OE2 GLU A 89 21.855 8.130 -36.048 1.00 0.00 O ATOM 0 H GLU A 89 18.990 11.217 -34.677 1.00 0.00 H new ATOM 0 HA GLU A 89 19.190 12.465 -37.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.391 9.581 -36.677 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.284 10.229 -38.039 1.00 0.00 H new ATOM 0 HG2 GLU A 89 21.092 10.899 -36.320 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.239 9.866 -35.190 1.00 0.00 H new ATOM 1293 N GLN A 90 16.172 11.662 -36.310 1.00 0.00 N ATOM 1294 CA GLN A 90 14.768 11.749 -36.693 1.00 0.00 C ATOM 1295 C GLN A 90 14.091 12.939 -36.019 1.00 0.00 C ATOM 1296 O GLN A 90 13.280 13.633 -36.632 1.00 0.00 O ATOM 1297 CB GLN A 90 14.038 10.453 -36.335 1.00 0.00 C ATOM 1298 CG GLN A 90 13.487 10.434 -34.919 1.00 0.00 C ATOM 1299 CD GLN A 90 12.547 9.269 -34.674 1.00 0.00 C ATOM 1300 OE1 GLN A 90 12.707 8.519 -33.711 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.558 9.113 -35.546 1.00 0.00 N ATOM 0 H GLN A 90 16.329 11.459 -35.323 1.00 0.00 H new ATOM 0 HA GLN A 90 14.719 11.895 -37.772 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.218 10.303 -37.037 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.723 9.614 -36.460 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.315 10.383 -34.212 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.960 11.368 -34.726 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.463 9.758 -36.330 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.893 8.348 -35.432 1.00 0.00 H new ATOM 1310 N ASP A 91 14.431 13.166 -34.755 1.00 0.00 N ATOM 1311 CA ASP A 91 13.856 14.272 -33.997 1.00 0.00 C ATOM 1312 C ASP A 91 14.330 15.613 -34.547 1.00 0.00 C ATOM 1313 O ASP A 91 13.525 16.448 -34.958 1.00 0.00 O ATOM 1314 CB ASP A 91 14.231 14.153 -32.519 1.00 0.00 C ATOM 1315 CG ASP A 91 13.202 14.790 -31.607 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.116 15.157 -32.103 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.483 14.924 -30.398 1.00 0.00 O ATOM 0 H ASP A 91 15.101 12.600 -34.234 1.00 0.00 H new ATOM 0 HA ASP A 91 12.772 14.222 -34.095 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.340 13.100 -32.259 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.200 14.625 -32.354 1.00 0.00 H new ATOM 1322 N GLN A 92 15.644 15.808 -34.555 1.00 0.00 N ATOM 1323 CA GLN A 92 16.232 17.045 -35.058 1.00 0.00 C ATOM 1324 C GLN A 92 16.270 18.120 -33.975 1.00 0.00 C ATOM 1325 O GLN A 92 16.411 19.306 -34.272 1.00 0.00 O ATOM 1326 CB GLN A 92 15.449 17.551 -36.270 1.00 0.00 C ATOM 1327 CG GLN A 92 16.304 18.302 -37.279 1.00 0.00 C ATOM 1328 CD GLN A 92 17.646 17.637 -37.514 1.00 0.00 C ATOM 1329 OE1 GLN A 92 17.661 16.310 -37.492 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 18.658 18.310 -37.714 1.00 0.00 N flip ATOM 0 H GLN A 92 16.323 15.125 -34.219 1.00 0.00 H new ATOM 0 HA GLN A 92 17.257 16.829 -35.359 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.977 16.703 -36.766 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.648 18.206 -35.927 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.767 18.372 -38.225 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.464 19.321 -36.927 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.600 19.328 -37.722 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.554 17.849 -37.871 1.00 0.00 H new ATOM 1339 N LYS A 93 16.150 17.699 -32.720 1.00 0.00 N ATOM 1340 CA LYS A 93 16.178 18.631 -31.597 1.00 0.00 C ATOM 1341 C LYS A 93 17.597 18.778 -31.059 1.00 0.00 C ATOM 1342 O LYS A 93 17.971 18.133 -30.080 1.00 0.00 O ATOM 1343 CB LYS A 93 15.241 18.155 -30.485 1.00 0.00 C ATOM 1344 CG LYS A 93 13.766 18.340 -30.811 1.00 0.00 C ATOM 1345 CD LYS A 93 13.502 18.205 -32.303 1.00 0.00 C ATOM 1346 CE LYS A 93 12.015 18.249 -32.613 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.744 18.847 -33.950 1.00 0.00 N ATOM 0 H LYS A 93 16.033 16.721 -32.455 1.00 0.00 H new ATOM 0 HA LYS A 93 15.837 19.604 -31.951 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.431 17.100 -30.288 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.473 18.698 -29.569 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.177 17.601 -30.268 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.438 19.322 -30.470 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.010 19.008 -32.837 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.922 17.266 -32.664 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.607 17.239 -32.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.501 18.828 -31.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.720 18.843 -34.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.096 19.826 -33.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.227 18.290 -34.684 1.00 0.00 H new ATOM 1361 N TYR A 94 18.386 19.623 -31.714 1.00 0.00 N ATOM 1362 CA TYR A 94 19.771 19.844 -31.313 1.00 0.00 C ATOM 1363 C TYR A 94 19.945 21.179 -30.599 1.00 0.00 C ATOM 1364 O TYR A 94 19.047 22.020 -30.592 1.00 0.00 O ATOM 1365 CB TYR A 94 20.689 19.800 -32.536 1.00 0.00 C ATOM 1366 CG TYR A 94 20.611 21.042 -33.400 1.00 0.00 C ATOM 1367 CD1 TYR A 94 21.190 22.239 -32.991 1.00 0.00 C ATOM 1368 CD2 TYR A 94 19.958 21.016 -34.626 1.00 0.00 C ATOM 1369 CE1 TYR A 94 21.119 23.374 -33.781 1.00 0.00 C ATOM 1370 CE2 TYR A 94 19.884 22.145 -35.420 1.00 0.00 C ATOM 1371 CZ TYR A 94 20.466 23.321 -34.993 1.00 0.00 C ATOM 1372 OH TYR A 94 20.392 24.445 -35.781 1.00 0.00 O ATOM 0 H TYR A 94 18.090 20.166 -32.525 1.00 0.00 H new ATOM 0 HA TYR A 94 20.040 19.047 -30.619 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.718 19.664 -32.203 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.432 18.930 -33.141 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.703 22.284 -32.042 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.500 20.098 -34.964 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.573 24.296 -33.449 1.00 0.00 H new ATOM 0 HE2 TYR A 94 19.373 22.107 -36.371 1.00 0.00 H new ATOM 0 HH TYR A 94 19.899 24.237 -36.602 1.00 0.00 H new ATOM 1382 N SER A 95 21.121 21.362 -30.009 1.00 0.00 N ATOM 1383 CA SER A 95 21.448 22.588 -29.299 1.00 0.00 C ATOM 1384 C SER A 95 22.770 23.149 -29.808 1.00 0.00 C ATOM 1385 O SER A 95 23.332 22.644 -30.779 1.00 0.00 O ATOM 1386 CB SER A 95 21.532 22.328 -27.794 1.00 0.00 C ATOM 1387 OG SER A 95 21.064 21.029 -27.473 1.00 0.00 O ATOM 0 H SER A 95 21.869 20.668 -30.010 1.00 0.00 H new ATOM 0 HA SER A 95 20.659 23.317 -29.482 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.564 22.439 -27.460 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.942 23.073 -27.260 1.00 0.00 H new ATOM 0 HG SER A 95 21.828 20.428 -27.347 1.00 0.00 H new ATOM 1393 N PHE A 96 23.267 24.190 -29.155 1.00 0.00 N ATOM 1394 CA PHE A 96 24.526 24.800 -29.562 1.00 0.00 C ATOM 1395 C PHE A 96 25.614 24.558 -28.526 1.00 0.00 C ATOM 1396 O PHE A 96 25.429 23.783 -27.588 1.00 0.00 O ATOM 1397 CB PHE A 96 24.338 26.298 -29.800 1.00 0.00 C ATOM 1398 CG PHE A 96 23.897 26.613 -31.197 1.00 0.00 C ATOM 1399 CD1 PHE A 96 24.458 25.947 -32.275 1.00 0.00 C ATOM 1400 CD2 PHE A 96 22.918 27.563 -31.436 1.00 0.00 C ATOM 1401 CE1 PHE A 96 24.051 26.222 -33.565 1.00 0.00 C ATOM 1402 CE2 PHE A 96 22.508 27.844 -32.725 1.00 0.00 C ATOM 1403 CZ PHE A 96 23.075 27.171 -33.790 1.00 0.00 C ATOM 0 H PHE A 96 22.823 24.627 -28.348 1.00 0.00 H new ATOM 0 HA PHE A 96 24.842 24.333 -30.495 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.601 26.683 -29.096 1.00 0.00 H new ATOM 0 HB3 PHE A 96 25.276 26.814 -29.595 1.00 0.00 H new ATOM 0 HD1 PHE A 96 25.223 25.204 -32.104 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.470 28.090 -30.606 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.496 25.695 -34.397 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.745 28.589 -32.900 1.00 0.00 H new ATOM 0 HZ PHE A 96 22.754 27.388 -34.798 1.00 0.00 H new ATOM 1413 N CYS A 97 26.753 25.214 -28.709 1.00 0.00 N ATOM 1414 CA CYS A 97 27.875 25.058 -27.793 1.00 0.00 C ATOM 1415 C CYS A 97 28.863 26.211 -27.933 1.00 0.00 C ATOM 1416 O CYS A 97 29.403 26.450 -29.013 1.00 0.00 O ATOM 1417 CB CYS A 97 28.585 23.731 -28.057 1.00 0.00 C ATOM 1418 SG CYS A 97 28.016 22.358 -27.006 1.00 0.00 S ATOM 0 H CYS A 97 26.924 25.858 -29.482 1.00 0.00 H new ATOM 0 HA CYS A 97 27.485 25.064 -26.775 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.442 23.457 -29.102 1.00 0.00 H new ATOM 0 HB3 CYS A 97 29.656 23.869 -27.907 1.00 0.00 H new ATOM 1423 N THR A 98 29.096 26.921 -26.835 1.00 0.00 N ATOM 1424 CA THR A 98 30.021 28.046 -26.837 1.00 0.00 C ATOM 1425 C THR A 98 31.374 27.643 -26.265 1.00 0.00 C ATOM 1426 O THR A 98 32.154 28.487 -25.824 1.00 0.00 O ATOM 1427 CB THR A 98 29.467 29.236 -26.034 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.528 30.127 -25.671 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.747 28.757 -24.783 1.00 0.00 C ATOM 0 H THR A 98 28.657 26.737 -25.933 1.00 0.00 H new ATOM 0 HA THR A 98 30.145 28.351 -27.876 1.00 0.00 H new ATOM 0 HB THR A 98 28.753 29.766 -26.664 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.161 29.661 -25.086 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.364 29.616 -24.232 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.918 28.109 -25.066 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.442 28.202 -24.153 1.00 0.00 H new