USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 494 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 Single : A 14 SER OG : rot 18:sc= 0.477 USER MOD Single : A 17 CYS SG : rot 147:sc= 0.0753 USER MOD Single : A 20 THR OG1 : rot 115:sc= 0.151 USER MOD Single : A 24 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.36 F(o=-4.2!,f=-2.4) USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.26! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -100:sc= -2.16 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.418 F(o=-0.95,f=-0.42) USER MOD Single : A 72 SER OG : rot -135:sc= -4.75! USER MOD Single : A 73 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.98 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 79 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=-0.0067) USER MOD Single : A 80 SER OG : rot 150:sc= -0.559 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 14 0.019 -15.902 7.695 1.00 0.00 N ATOM 2 CA SER A 14 0.233 -14.490 7.403 1.00 0.00 C ATOM 3 C SER A 14 0.220 -14.236 5.899 1.00 0.00 C ATOM 4 O SER A 14 0.104 -15.168 5.103 1.00 0.00 O ATOM 5 CB SER A 14 1.562 -14.020 7.999 1.00 0.00 C ATOM 6 OG SER A 14 1.839 -14.688 9.218 1.00 0.00 O ATOM 0 HA SER A 14 -0.581 -13.924 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.368 -14.204 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.527 -12.944 8.170 1.00 0.00 H new ATOM 0 HG SER A 14 1.291 -15.498 9.279 1.00 0.00 H new ATOM 12 N GLY A 15 0.340 -12.969 5.517 1.00 0.00 N ATOM 13 CA GLY A 15 0.339 -12.615 4.109 1.00 0.00 C ATOM 14 C GLY A 15 -1.005 -12.094 3.643 1.00 0.00 C ATOM 15 O GLY A 15 -2.023 -12.775 3.776 1.00 0.00 O ATOM 0 H GLY A 15 0.438 -12.181 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.101 -11.858 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.611 -13.489 3.518 1.00 0.00 H new ATOM 19 N GLY A 16 -1.011 -10.883 3.094 1.00 0.00 N ATOM 20 CA GLY A 16 -2.246 -10.292 2.614 1.00 0.00 C ATOM 21 C GLY A 16 -2.144 -8.788 2.448 1.00 0.00 C ATOM 22 O GLY A 16 -2.096 -8.285 1.329 1.00 0.00 O ATOM 0 H GLY A 16 -0.182 -10.301 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.513 -10.743 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.051 -10.524 3.311 1.00 0.00 H new ATOM 26 N CYS A 17 -2.102 -8.074 3.567 1.00 0.00 N ATOM 27 CA CYS A 17 -1.996 -6.626 3.554 1.00 0.00 C ATOM 28 C CYS A 17 -0.928 -6.176 4.535 1.00 0.00 C ATOM 29 O CYS A 17 -0.807 -6.721 5.632 1.00 0.00 O ATOM 30 CB CYS A 17 -3.338 -5.978 3.905 1.00 0.00 C ATOM 31 SG CYS A 17 -4.199 -6.754 5.294 1.00 0.00 S ATOM 0 H CYS A 17 -2.140 -8.482 4.501 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.716 -6.310 2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.170 -4.927 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.984 -6.011 3.028 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.863 -5.851 5.952 1.00 0.00 H new ATOM 37 N GLU A 18 -0.157 -5.180 4.137 1.00 0.00 N ATOM 38 CA GLU A 18 0.907 -4.655 4.987 1.00 0.00 C ATOM 39 C GLU A 18 0.780 -3.152 5.121 1.00 0.00 C ATOM 40 O GLU A 18 0.345 -2.483 4.202 1.00 0.00 O ATOM 41 CB GLU A 18 2.281 -5.018 4.425 1.00 0.00 C ATOM 42 CG GLU A 18 3.443 -4.489 5.252 1.00 0.00 C ATOM 43 CD GLU A 18 4.712 -5.297 5.058 1.00 0.00 C ATOM 44 OE1 GLU A 18 4.647 -6.539 5.169 1.00 0.00 O ATOM 45 OE2 GLU A 18 5.769 -4.687 4.796 1.00 0.00 O ATOM 0 H GLU A 18 -0.244 -4.716 3.233 1.00 0.00 H new ATOM 0 HA GLU A 18 0.808 -5.108 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.360 -6.103 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.363 -4.628 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.633 -3.450 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.168 -4.499 6.307 1.00 0.00 H new ATOM 52 N LEU A 19 1.169 -2.630 6.266 1.00 0.00 N ATOM 53 CA LEU A 19 1.087 -1.189 6.500 1.00 0.00 C ATOM 54 C LEU A 19 2.228 -0.463 5.805 1.00 0.00 C ATOM 55 O LEU A 19 3.395 -0.833 5.935 1.00 0.00 O ATOM 56 CB LEU A 19 1.095 -0.840 7.990 1.00 0.00 C ATOM 57 CG LEU A 19 0.592 -1.931 8.936 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.574 -1.425 10.369 1.00 0.00 C ATOM 59 CD2 LEU A 19 -0.794 -2.402 8.519 1.00 0.00 C ATOM 0 H LEU A 19 1.543 -3.169 7.047 1.00 0.00 H new ATOM 0 HA LEU A 19 0.135 -0.861 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.114 -0.580 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.485 0.051 8.138 1.00 0.00 H new ATOM 0 HG LEU A 19 1.275 -2.779 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.213 -2.214 11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.582 -1.136 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.087 -0.561 10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.136 -3.178 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.488 -1.562 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.752 -2.804 7.507 1.00 0.00 H new ATOM 71 N THR A 20 1.869 0.571 5.063 1.00 0.00 N ATOM 72 CA THR A 20 2.843 1.369 4.331 1.00 0.00 C ATOM 73 C THR A 20 2.489 2.850 4.389 1.00 0.00 C ATOM 74 O THR A 20 1.323 3.219 4.528 1.00 0.00 O ATOM 75 CB THR A 20 2.931 0.905 2.876 1.00 0.00 C ATOM 76 OG1 THR A 20 3.935 1.625 2.182 1.00 0.00 O ATOM 77 CG2 THR A 20 1.637 1.071 2.111 1.00 0.00 C ATOM 0 H THR A 20 0.904 0.880 4.950 1.00 0.00 H new ATOM 0 HA THR A 20 3.815 1.230 4.804 1.00 0.00 H new ATOM 0 HB THR A 20 3.167 -0.158 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.649 1.011 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.772 0.722 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.852 0.488 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.353 2.123 2.101 1.00 0.00 H new ATOM 85 N VAL A 21 3.506 3.690 4.268 1.00 0.00 N ATOM 86 CA VAL A 21 3.327 5.129 4.291 1.00 0.00 C ATOM 87 C VAL A 21 3.715 5.719 2.946 1.00 0.00 C ATOM 88 O VAL A 21 4.806 5.456 2.438 1.00 0.00 O ATOM 89 CB VAL A 21 4.175 5.790 5.394 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.526 5.603 6.755 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.596 5.240 5.392 1.00 0.00 C ATOM 0 H VAL A 21 4.475 3.392 4.152 1.00 0.00 H new ATOM 0 HA VAL A 21 2.276 5.327 4.500 1.00 0.00 H new ATOM 0 HB VAL A 21 4.228 6.859 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.141 6.077 7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.536 6.059 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.435 4.539 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.174 5.723 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.570 4.165 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.062 5.439 4.427 1.00 0.00 H new ATOM 101 N VAL A 22 2.824 6.504 2.361 1.00 0.00 N ATOM 102 CA VAL A 22 3.092 7.104 1.071 1.00 0.00 C ATOM 103 C VAL A 22 4.182 8.156 1.164 1.00 0.00 C ATOM 104 O VAL A 22 4.130 9.054 2.005 1.00 0.00 O ATOM 105 CB VAL A 22 1.837 7.728 0.426 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.131 6.708 -0.447 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.884 8.311 1.461 1.00 0.00 C ATOM 0 H VAL A 22 1.915 6.737 2.759 1.00 0.00 H new ATOM 0 HA VAL A 22 3.427 6.287 0.432 1.00 0.00 H new ATOM 0 HB VAL A 22 2.169 8.558 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.247 7.162 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.806 6.373 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.831 5.854 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.017 8.738 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.558 7.523 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.394 9.090 2.028 1.00 0.00 H new ATOM 117 N LEU A 23 5.174 8.029 0.297 1.00 0.00 N ATOM 118 CA LEU A 23 6.289 8.952 0.276 1.00 0.00 C ATOM 119 C LEU A 23 5.927 10.263 -0.419 1.00 0.00 C ATOM 120 O LEU A 23 6.575 11.283 -0.192 1.00 0.00 O ATOM 121 CB LEU A 23 7.510 8.321 -0.405 1.00 0.00 C ATOM 122 CG LEU A 23 7.673 6.811 -0.200 1.00 0.00 C ATOM 123 CD1 LEU A 23 8.983 6.331 -0.807 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.611 6.462 1.279 1.00 0.00 C ATOM 0 H LEU A 23 5.226 7.290 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 23 6.537 9.176 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.451 8.520 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.407 8.819 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 23 6.851 6.304 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.083 5.257 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.989 6.546 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.816 6.846 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.729 5.386 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.412 6.978 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.648 6.771 1.686 1.00 0.00 H new ATOM 136 N GLN A 24 4.908 10.239 -1.275 1.00 0.00 N ATOM 137 CA GLN A 24 4.499 11.437 -1.984 1.00 0.00 C ATOM 138 C GLN A 24 2.978 11.478 -2.146 1.00 0.00 C ATOM 139 O GLN A 24 2.324 10.436 -2.152 1.00 0.00 O ATOM 140 CB GLN A 24 5.245 11.505 -3.330 1.00 0.00 C ATOM 141 CG GLN A 24 4.560 10.851 -4.530 1.00 0.00 C ATOM 142 CD GLN A 24 4.463 11.779 -5.726 1.00 0.00 C ATOM 143 OE1 GLN A 24 5.142 12.805 -5.788 1.00 0.00 O ATOM 144 NE2 GLN A 24 3.616 11.423 -6.686 1.00 0.00 N ATOM 0 H GLN A 24 4.358 9.408 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 24 4.766 12.323 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.421 12.554 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.222 11.040 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.112 9.955 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.559 10.531 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.073 10.565 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.509 12.008 -7.515 1.00 0.00 H new ATOM 153 N ASP A 25 2.418 12.676 -2.289 1.00 0.00 N ATOM 154 CA ASP A 25 0.975 12.805 -2.464 1.00 0.00 C ATOM 155 C ASP A 25 0.580 12.279 -3.833 1.00 0.00 C ATOM 156 O ASP A 25 1.330 12.397 -4.802 1.00 0.00 O ATOM 157 CB ASP A 25 0.450 14.248 -2.309 1.00 0.00 C ATOM 158 CG ASP A 25 1.476 15.255 -1.810 1.00 0.00 C ATOM 159 OD1 ASP A 25 2.571 15.333 -2.404 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.180 15.964 -0.824 1.00 0.00 O ATOM 0 H ASP A 25 2.931 13.557 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 25 0.520 12.219 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.070 14.586 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.394 14.240 -1.619 1.00 0.00 H new ATOM 165 N PHE A 26 -0.601 11.706 -3.900 1.00 0.00 N ATOM 166 CA PHE A 26 -1.118 11.160 -5.145 1.00 0.00 C ATOM 167 C PHE A 26 -2.611 11.349 -5.248 1.00 0.00 C ATOM 168 O PHE A 26 -3.305 11.441 -4.248 1.00 0.00 O ATOM 169 CB PHE A 26 -0.801 9.678 -5.274 1.00 0.00 C ATOM 170 CG PHE A 26 -1.088 9.130 -6.645 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.170 9.279 -7.671 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.279 8.467 -6.908 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.430 8.778 -8.932 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.543 7.965 -8.168 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.617 8.120 -9.180 1.00 0.00 C ATOM 0 H PHE A 26 -1.229 11.603 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.629 11.704 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.251 9.516 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.383 9.123 -4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.761 9.793 -7.483 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.007 8.342 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.295 8.901 -9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.473 7.452 -8.361 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.822 7.727 -10.165 1.00 0.00 H new ATOM 185 N SER A 27 -3.099 11.399 -6.468 1.00 0.00 N ATOM 186 CA SER A 27 -4.497 11.546 -6.719 1.00 0.00 C ATOM 187 C SER A 27 -4.951 10.435 -7.654 1.00 0.00 C ATOM 188 O SER A 27 -4.238 10.073 -8.589 1.00 0.00 O ATOM 189 CB SER A 27 -4.749 12.899 -7.346 1.00 0.00 C ATOM 190 OG SER A 27 -3.627 13.336 -8.094 1.00 0.00 O ATOM 0 H SER A 27 -2.527 11.338 -7.310 1.00 0.00 H new ATOM 0 HA SER A 27 -5.058 11.479 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.623 12.844 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.976 13.627 -6.567 1.00 0.00 H new ATOM 0 HG SER A 27 -3.818 14.212 -8.489 1.00 0.00 H new ATOM 196 N ALA A 28 -6.122 9.882 -7.384 1.00 0.00 N ATOM 197 CA ALA A 28 -6.669 8.794 -8.176 1.00 0.00 C ATOM 198 C ALA A 28 -6.652 9.079 -9.669 1.00 0.00 C ATOM 199 O ALA A 28 -6.155 10.108 -10.125 1.00 0.00 O ATOM 200 CB ALA A 28 -8.085 8.502 -7.732 1.00 0.00 C ATOM 0 H ALA A 28 -6.719 10.175 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.030 7.927 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.492 7.685 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.085 8.218 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.700 9.392 -7.868 1.00 0.00 H new ATOM 206 N ALA A 29 -7.213 8.143 -10.424 1.00 0.00 N ATOM 207 CA ALA A 29 -7.282 8.260 -11.875 1.00 0.00 C ATOM 208 C ALA A 29 -7.949 7.039 -12.498 1.00 0.00 C ATOM 209 O ALA A 29 -8.598 7.144 -13.538 1.00 0.00 O ATOM 210 CB ALA A 29 -5.890 8.453 -12.467 1.00 0.00 C ATOM 0 H ALA A 29 -7.629 7.289 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.889 9.136 -12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.964 8.538 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.445 9.362 -12.061 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.264 7.598 -12.212 1.00 0.00 H new ATOM 216 N HIS A 30 -7.785 5.875 -11.865 1.00 0.00 N ATOM 217 CA HIS A 30 -8.379 4.647 -12.382 1.00 0.00 C ATOM 218 C HIS A 30 -9.337 3.995 -11.383 1.00 0.00 C ATOM 219 O HIS A 30 -9.617 4.530 -10.309 1.00 0.00 O ATOM 220 CB HIS A 30 -7.304 3.656 -12.871 1.00 0.00 C ATOM 221 CG HIS A 30 -6.545 2.916 -11.806 1.00 0.00 C ATOM 222 ND1 HIS A 30 -7.120 1.987 -10.961 1.00 0.00 N ATOM 223 CD2 HIS A 30 -5.225 2.929 -11.500 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.187 1.464 -10.185 1.00 0.00 C ATOM 225 NE2 HIS A 30 -5.029 2.017 -10.492 1.00 0.00 N ATOM 0 H HIS A 30 -7.251 5.760 -11.003 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.978 4.932 -13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.784 2.924 -13.520 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.588 4.204 -13.483 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -8.110 1.743 -10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.467 3.543 -11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.346 0.711 -9.427 1.00 0.00 H new ATOM 234 N SER A 31 -9.867 2.851 -11.791 1.00 0.00 N ATOM 235 CA SER A 31 -10.845 2.077 -11.014 1.00 0.00 C ATOM 236 C SER A 31 -10.616 2.130 -9.500 1.00 0.00 C ATOM 237 O SER A 31 -11.301 2.865 -8.789 1.00 0.00 O ATOM 238 CB SER A 31 -10.844 0.621 -11.485 1.00 0.00 C ATOM 239 OG SER A 31 -11.631 0.461 -12.653 1.00 0.00 O ATOM 0 H SER A 31 -9.630 2.421 -12.685 1.00 0.00 H new ATOM 0 HA SER A 31 -11.815 2.541 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.821 0.301 -11.685 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.229 -0.021 -10.693 1.00 0.00 H new ATOM 0 HG SER A 31 -11.612 -0.478 -12.934 1.00 0.00 H new ATOM 245 N SER A 32 -9.676 1.331 -9.009 1.00 0.00 N ATOM 246 CA SER A 32 -9.398 1.275 -7.580 1.00 0.00 C ATOM 247 C SER A 32 -8.346 2.299 -7.148 1.00 0.00 C ATOM 248 O SER A 32 -7.471 1.989 -6.344 1.00 0.00 O ATOM 249 CB SER A 32 -8.943 -0.135 -7.193 1.00 0.00 C ATOM 250 OG SER A 32 -9.952 -1.090 -7.475 1.00 0.00 O ATOM 0 H SER A 32 -9.095 0.715 -9.578 1.00 0.00 H new ATOM 0 HA SER A 32 -10.323 1.524 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.034 -0.390 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.697 -0.163 -6.131 1.00 0.00 H new ATOM 0 HG SER A 32 -9.638 -1.983 -7.221 1.00 0.00 H new ATOM 256 N GLU A 33 -8.429 3.520 -7.677 1.00 0.00 N ATOM 257 CA GLU A 33 -7.491 4.557 -7.328 1.00 0.00 C ATOM 258 C GLU A 33 -8.094 5.544 -6.349 1.00 0.00 C ATOM 259 O GLU A 33 -9.312 5.709 -6.276 1.00 0.00 O ATOM 260 CB GLU A 33 -7.058 5.287 -8.579 1.00 0.00 C ATOM 261 CG GLU A 33 -5.817 4.708 -9.170 1.00 0.00 C ATOM 262 CD GLU A 33 -4.552 5.213 -8.505 1.00 0.00 C ATOM 263 OE1 GLU A 33 -4.579 5.446 -7.278 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.535 5.375 -9.211 1.00 0.00 O ATOM 0 H GLU A 33 -9.142 3.804 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.631 4.089 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.861 5.249 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.890 6.338 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.855 3.622 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.782 4.947 -10.233 1.00 0.00 H new ATOM 271 N LEU A 34 -7.226 6.212 -5.617 1.00 0.00 N ATOM 272 CA LEU A 34 -7.646 7.207 -4.655 1.00 0.00 C ATOM 273 C LEU A 34 -6.545 8.224 -4.404 1.00 0.00 C ATOM 274 O LEU A 34 -5.387 8.007 -4.760 1.00 0.00 O ATOM 275 CB LEU A 34 -8.078 6.559 -3.347 1.00 0.00 C ATOM 276 CG LEU A 34 -7.401 5.241 -2.976 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.064 5.494 -2.315 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.299 4.468 -2.036 1.00 0.00 C ATOM 0 H LEU A 34 -6.216 6.081 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.505 7.729 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.901 7.271 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.154 6.388 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.230 4.663 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.599 4.542 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.417 6.041 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.212 6.081 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.820 3.526 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.474 5.055 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.251 4.265 -2.527 1.00 0.00 H new ATOM 290 N SER A 35 -6.921 9.336 -3.794 1.00 0.00 N ATOM 291 CA SER A 35 -5.994 10.397 -3.495 1.00 0.00 C ATOM 292 C SER A 35 -5.399 10.226 -2.111 1.00 0.00 C ATOM 293 O SER A 35 -6.105 9.993 -1.129 1.00 0.00 O ATOM 294 CB SER A 35 -6.686 11.753 -3.606 1.00 0.00 C ATOM 295 OG SER A 35 -8.064 11.651 -3.298 1.00 0.00 O ATOM 0 H SER A 35 -7.878 9.521 -3.495 1.00 0.00 H new ATOM 0 HA SER A 35 -5.184 10.352 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.211 12.463 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.564 12.145 -4.616 1.00 0.00 H new ATOM 0 HG SER A 35 -8.483 12.534 -3.375 1.00 0.00 H new ATOM 301 N ILE A 36 -4.092 10.350 -2.059 1.00 0.00 N ATOM 302 CA ILE A 36 -3.345 10.224 -0.822 1.00 0.00 C ATOM 303 C ILE A 36 -2.391 11.398 -0.654 1.00 0.00 C ATOM 304 O ILE A 36 -2.242 12.228 -1.551 1.00 0.00 O ATOM 305 CB ILE A 36 -2.543 8.910 -0.777 1.00 0.00 C ATOM 306 CG1 ILE A 36 -1.668 8.784 -2.024 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.484 7.721 -0.659 1.00 0.00 C ATOM 308 CD1 ILE A 36 -0.287 9.376 -1.864 1.00 0.00 C ATOM 0 H ILE A 36 -3.512 10.542 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.068 10.218 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.895 8.923 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.573 7.730 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.169 9.275 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.903 6.799 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.071 7.811 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.153 7.700 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.273 9.248 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.371 10.438 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.234 8.869 -1.052 1.00 0.00 H new ATOM 320 N GLN A 37 -1.757 11.459 0.501 1.00 0.00 N ATOM 321 CA GLN A 37 -0.827 12.515 0.816 1.00 0.00 C ATOM 322 C GLN A 37 0.450 11.959 1.433 1.00 0.00 C ATOM 323 O GLN A 37 0.436 10.923 2.087 1.00 0.00 O ATOM 324 CB GLN A 37 -1.486 13.496 1.772 1.00 0.00 C ATOM 325 CG GLN A 37 -2.167 14.661 1.073 1.00 0.00 C ATOM 326 CD GLN A 37 -3.609 14.849 1.506 1.00 0.00 C ATOM 327 OE1 GLN A 37 -4.516 14.201 0.983 1.00 0.00 O ATOM 328 NE2 GLN A 37 -3.828 15.739 2.466 1.00 0.00 N ATOM 0 H GLN A 37 -1.876 10.773 1.247 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.555 13.027 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.222 12.964 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.733 13.884 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.610 15.576 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.135 14.501 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.047 16.254 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.778 15.908 2.798 1.00 0.00 H new ATOM 337 N VAL A 38 1.548 12.663 1.222 1.00 0.00 N ATOM 338 CA VAL A 38 2.839 12.248 1.755 1.00 0.00 C ATOM 339 C VAL A 38 2.857 12.303 3.285 1.00 0.00 C ATOM 340 O VAL A 38 2.727 13.378 3.871 1.00 0.00 O ATOM 341 CB VAL A 38 3.963 13.157 1.215 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.691 14.608 1.569 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.325 12.721 1.738 1.00 0.00 C ATOM 0 H VAL A 38 1.574 13.529 0.683 1.00 0.00 H new ATOM 0 HA VAL A 38 3.004 11.219 1.434 1.00 0.00 H new ATOM 0 HB VAL A 38 3.978 13.063 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.494 15.234 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.743 14.918 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.640 14.715 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.096 13.381 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.330 12.773 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.525 11.697 1.422 1.00 0.00 H new ATOM 353 N GLY A 39 3.054 11.151 3.928 1.00 0.00 N ATOM 354 CA GLY A 39 3.126 11.124 5.380 1.00 0.00 C ATOM 355 C GLY A 39 2.087 10.247 6.045 1.00 0.00 C ATOM 356 O GLY A 39 2.254 9.857 7.201 1.00 0.00 O ATOM 0 H GLY A 39 3.164 10.245 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.117 10.779 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.018 12.142 5.755 1.00 0.00 H new ATOM 360 N GLN A 40 1.012 9.946 5.340 1.00 0.00 N ATOM 361 CA GLN A 40 -0.042 9.131 5.894 1.00 0.00 C ATOM 362 C GLN A 40 0.307 7.651 5.852 1.00 0.00 C ATOM 363 O GLN A 40 1.264 7.242 5.195 1.00 0.00 O ATOM 364 CB GLN A 40 -1.335 9.397 5.151 1.00 0.00 C ATOM 365 CG GLN A 40 -1.330 8.873 3.743 1.00 0.00 C ATOM 366 CD GLN A 40 -2.597 9.205 2.980 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.118 8.230 2.247 1.00 0.00 O flip ATOM 368 NE2 GLN A 40 -3.101 10.326 3.050 1.00 0.00 N flip ATOM 0 H GLN A 40 0.850 10.256 4.382 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.166 9.401 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.161 8.941 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.520 10.471 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.474 9.287 3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.199 7.791 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.666 11.046 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.954 10.535 2.531 1.00 0.00 H new ATOM 377 N THR A 41 -0.491 6.855 6.549 1.00 0.00 N ATOM 378 CA THR A 41 -0.283 5.412 6.583 1.00 0.00 C ATOM 379 C THR A 41 -1.493 4.662 6.068 1.00 0.00 C ATOM 380 O THR A 41 -2.579 4.730 6.645 1.00 0.00 O ATOM 381 CB THR A 41 0.043 4.899 7.998 1.00 0.00 C ATOM 382 OG1 THR A 41 1.350 5.286 8.386 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.049 3.371 8.126 1.00 0.00 C ATOM 0 H THR A 41 -1.287 7.181 7.098 1.00 0.00 H new ATOM 0 HA THR A 41 0.572 5.224 5.933 1.00 0.00 H new ATOM 0 HB THR A 41 -0.709 5.348 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.536 4.951 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.192 3.076 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.061 3.046 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.656 2.905 7.438 1.00 0.00 H new ATOM 391 N VAL A 42 -1.270 3.883 5.038 1.00 0.00 N ATOM 392 CA VAL A 42 -2.297 3.042 4.501 1.00 0.00 C ATOM 393 C VAL A 42 -1.668 1.699 4.153 1.00 0.00 C ATOM 394 O VAL A 42 -0.534 1.624 3.680 1.00 0.00 O ATOM 395 CB VAL A 42 -3.032 3.702 3.305 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.348 2.699 2.227 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.323 4.358 3.770 1.00 0.00 C ATOM 0 H VAL A 42 -0.374 3.818 4.554 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.079 2.886 5.245 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.363 4.457 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.863 3.198 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.422 2.256 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.988 1.916 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.826 4.816 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.974 3.605 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.095 5.124 4.512 1.00 0.00 H new ATOM 407 N GLU A 43 -2.404 0.648 4.437 1.00 0.00 N ATOM 408 CA GLU A 43 -1.931 -0.700 4.205 1.00 0.00 C ATOM 409 C GLU A 43 -2.036 -1.111 2.739 1.00 0.00 C ATOM 410 O GLU A 43 -3.054 -0.898 2.093 1.00 0.00 O ATOM 411 CB GLU A 43 -2.732 -1.675 5.062 1.00 0.00 C ATOM 412 CG GLU A 43 -4.208 -1.720 4.695 1.00 0.00 C ATOM 413 CD GLU A 43 -5.054 -2.403 5.753 1.00 0.00 C ATOM 414 OE1 GLU A 43 -5.195 -3.642 5.691 1.00 0.00 O ATOM 415 OE2 GLU A 43 -5.577 -1.697 6.641 1.00 0.00 O ATOM 0 H GLU A 43 -3.342 0.702 4.833 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.876 -0.726 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.308 -2.674 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.633 -1.394 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.572 -0.704 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.327 -2.244 3.747 1.00 0.00 H new ATOM 422 N LEU A 44 -0.971 -1.718 2.225 1.00 0.00 N ATOM 423 CA LEU A 44 -0.940 -2.174 0.857 1.00 0.00 C ATOM 424 C LEU A 44 -1.753 -3.432 0.678 1.00 0.00 C ATOM 425 O LEU A 44 -1.825 -4.286 1.575 1.00 0.00 O ATOM 426 CB LEU A 44 0.478 -2.428 0.389 1.00 0.00 C ATOM 427 CG LEU A 44 1.377 -3.197 1.372 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.879 -4.493 0.744 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.549 -2.333 1.830 1.00 0.00 C ATOM 0 H LEU A 44 -0.115 -1.902 2.748 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.376 -1.379 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.438 -2.983 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.947 -1.468 0.171 1.00 0.00 H new ATOM 0 HG LEU A 44 0.779 -3.449 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.513 -5.021 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.029 -5.122 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.454 -4.264 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.169 -2.900 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.145 -2.041 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.170 -1.440 2.328 1.00 0.00 H new ATOM 441 N LEU A 45 -2.349 -3.524 -0.504 1.00 0.00 N ATOM 442 CA LEU A 45 -3.179 -4.658 -0.878 1.00 0.00 C ATOM 443 C LEU A 45 -2.321 -5.866 -1.240 1.00 0.00 C ATOM 444 O LEU A 45 -2.517 -6.953 -0.700 1.00 0.00 O ATOM 445 CB LEU A 45 -4.091 -4.291 -2.058 1.00 0.00 C ATOM 446 CG LEU A 45 -4.729 -2.895 -1.998 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.225 -2.474 -3.375 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.877 -2.875 -1.009 1.00 0.00 C ATOM 0 H LEU A 45 -2.269 -2.812 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.798 -4.918 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.512 -4.366 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.888 -5.032 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.967 -2.189 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.674 -1.483 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.387 -2.450 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.970 -3.188 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.316 -1.878 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.634 -3.596 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.508 -3.137 -0.017 1.00 0.00 H new ATOM 460 N GLU A 46 -1.374 -5.681 -2.159 1.00 0.00 N ATOM 461 CA GLU A 46 -0.508 -6.755 -2.579 1.00 0.00 C ATOM 462 C GLU A 46 0.960 -6.301 -2.557 1.00 0.00 C ATOM 463 O GLU A 46 1.329 -5.421 -1.780 1.00 0.00 O ATOM 464 CB GLU A 46 -0.945 -7.241 -3.964 1.00 0.00 C ATOM 465 CG GLU A 46 -0.530 -6.342 -5.120 1.00 0.00 C ATOM 466 CD GLU A 46 -1.395 -6.547 -6.348 1.00 0.00 C ATOM 467 OE1 GLU A 46 -2.597 -6.210 -6.292 1.00 0.00 O ATOM 468 OE2 GLU A 46 -0.874 -7.052 -7.364 1.00 0.00 O ATOM 0 H GLU A 46 -1.195 -4.790 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.588 -7.592 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.532 -8.236 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.030 -7.341 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.590 -5.300 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.511 -6.539 -5.375 1.00 0.00 H new ATOM 475 N ARG A 47 1.792 -6.911 -3.397 1.00 0.00 N ATOM 476 CA ARG A 47 3.211 -6.573 -3.453 1.00 0.00 C ATOM 477 C ARG A 47 3.704 -6.470 -4.895 1.00 0.00 C ATOM 478 O ARG A 47 3.006 -6.875 -5.824 1.00 0.00 O ATOM 479 CB ARG A 47 4.026 -7.633 -2.719 1.00 0.00 C ATOM 480 CG ARG A 47 3.785 -7.663 -1.218 1.00 0.00 C ATOM 481 CD ARG A 47 2.847 -8.794 -0.824 1.00 0.00 C ATOM 482 NE ARG A 47 3.406 -10.106 -1.146 1.00 0.00 N ATOM 483 CZ ARG A 47 3.003 -11.247 -0.587 1.00 0.00 C ATOM 484 NH1 ARG A 47 2.036 -11.251 0.323 1.00 0.00 N ATOM 485 NH2 ARG A 47 3.571 -12.392 -0.942 1.00 0.00 N ATOM 0 H ARG A 47 1.508 -7.642 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 47 3.341 -5.603 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.789 -8.612 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.085 -7.456 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.736 -7.781 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.362 -6.711 -0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.642 -8.740 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.894 -8.670 -1.338 1.00 0.00 H new ATOM 0 HE ARG A 47 4.151 -10.151 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.594 -10.375 0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.736 -12.130 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.314 -12.398 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.265 -13.267 -0.516 1.00 0.00 H new ATOM 499 N PRO A 48 4.925 -5.929 -5.109 1.00 0.00 N ATOM 500 CA PRO A 48 5.505 -5.784 -6.445 1.00 0.00 C ATOM 501 C PRO A 48 6.047 -7.105 -6.998 1.00 0.00 C ATOM 502 O PRO A 48 7.210 -7.194 -7.397 1.00 0.00 O ATOM 503 CB PRO A 48 6.646 -4.767 -6.245 1.00 0.00 C ATOM 504 CG PRO A 48 6.573 -4.333 -4.815 1.00 0.00 C ATOM 505 CD PRO A 48 5.837 -5.415 -4.081 1.00 0.00 C ATOM 0 HA PRO A 48 4.760 -5.462 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.613 -5.219 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.531 -3.916 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.571 -4.192 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.053 -3.379 -4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.512 -6.188 -3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.298 -5.026 -3.217 1.00 0.00 H new ATOM 513 N SER A 49 5.199 -8.129 -7.039 1.00 0.00 N ATOM 514 CA SER A 49 5.601 -9.431 -7.559 1.00 0.00 C ATOM 515 C SER A 49 5.466 -9.451 -9.069 1.00 0.00 C ATOM 516 O SER A 49 6.372 -9.870 -9.791 1.00 0.00 O ATOM 517 CB SER A 49 4.754 -10.540 -6.940 1.00 0.00 C ATOM 518 OG SER A 49 5.428 -11.786 -6.987 1.00 0.00 O ATOM 0 H SER A 49 4.232 -8.082 -6.719 1.00 0.00 H new ATOM 0 HA SER A 49 6.644 -9.605 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.521 -10.289 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.805 -10.616 -7.471 1.00 0.00 H new ATOM 0 HG SER A 49 4.864 -12.478 -6.583 1.00 0.00 H new ATOM 524 N GLU A 50 4.328 -8.973 -9.526 1.00 0.00 N ATOM 525 CA GLU A 50 4.027 -8.892 -10.935 1.00 0.00 C ATOM 526 C GLU A 50 4.628 -7.621 -11.520 1.00 0.00 C ATOM 527 O GLU A 50 5.126 -7.602 -12.646 1.00 0.00 O ATOM 528 CB GLU A 50 2.515 -8.902 -11.110 1.00 0.00 C ATOM 529 CG GLU A 50 1.839 -7.637 -10.624 1.00 0.00 C ATOM 530 CD GLU A 50 0.325 -7.720 -10.678 1.00 0.00 C ATOM 531 OE1 GLU A 50 -0.224 -8.786 -10.331 1.00 0.00 O ATOM 532 OE2 GLU A 50 -0.310 -6.718 -11.069 1.00 0.00 O ATOM 0 H GLU A 50 3.581 -8.628 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 50 4.457 -9.744 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.281 -9.047 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.101 -9.755 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.151 -7.435 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.174 -6.796 -11.231 1.00 0.00 H new ATOM 539 N ARG A 51 4.575 -6.566 -10.721 1.00 0.00 N ATOM 540 CA ARG A 51 5.108 -5.269 -11.109 1.00 0.00 C ATOM 541 C ARG A 51 6.191 -4.834 -10.120 1.00 0.00 C ATOM 542 O ARG A 51 5.919 -4.694 -8.930 1.00 0.00 O ATOM 543 CB ARG A 51 3.984 -4.233 -11.143 1.00 0.00 C ATOM 544 CG ARG A 51 4.446 -2.831 -11.494 1.00 0.00 C ATOM 545 CD ARG A 51 3.270 -1.932 -11.834 1.00 0.00 C ATOM 546 NE ARG A 51 3.601 -0.962 -12.877 1.00 0.00 N ATOM 547 CZ ARG A 51 3.751 -1.273 -14.165 1.00 0.00 C ATOM 548 NH1 ARG A 51 3.599 -2.525 -14.582 1.00 0.00 N ATOM 549 NH2 ARG A 51 4.052 -0.324 -15.041 1.00 0.00 N ATOM 0 H ARG A 51 4.163 -6.585 -9.788 1.00 0.00 H new ATOM 0 HA ARG A 51 5.547 -5.348 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.234 -4.549 -11.868 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.496 -4.210 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.000 -2.408 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.131 -2.873 -12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.430 -2.544 -12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.948 -1.403 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 51 3.725 0.013 -12.602 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.365 -3.260 -13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.716 -2.751 -15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.168 0.640 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.168 -0.558 -16.027 1.00 0.00 H new ATOM 563 N PRO A 52 7.438 -4.616 -10.582 1.00 0.00 N ATOM 564 CA PRO A 52 8.529 -4.210 -9.717 1.00 0.00 C ATOM 565 C PRO A 52 8.685 -2.702 -9.659 1.00 0.00 C ATOM 566 O PRO A 52 9.069 -2.064 -10.639 1.00 0.00 O ATOM 567 CB PRO A 52 9.734 -4.854 -10.391 1.00 0.00 C ATOM 568 CG PRO A 52 9.398 -4.871 -11.852 1.00 0.00 C ATOM 569 CD PRO A 52 7.894 -4.748 -11.972 1.00 0.00 C ATOM 0 HA PRO A 52 8.382 -4.512 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.644 -4.284 -10.202 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.905 -5.862 -10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.893 -4.049 -12.369 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.746 -5.794 -12.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.610 -3.881 -12.569 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.459 -5.624 -12.454 1.00 0.00 H new ATOM 577 N GLY A 53 8.378 -2.137 -8.501 1.00 0.00 N ATOM 578 CA GLY A 53 8.483 -0.706 -8.324 1.00 0.00 C ATOM 579 C GLY A 53 7.172 -0.046 -7.962 1.00 0.00 C ATOM 580 O GLY A 53 7.122 1.164 -7.784 1.00 0.00 O ATOM 0 H GLY A 53 8.057 -2.647 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.214 -0.497 -7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.863 -0.261 -9.244 1.00 0.00 H new ATOM 584 N TRP A 54 6.108 -0.834 -7.891 1.00 0.00 N ATOM 585 CA TRP A 54 4.784 -0.343 -7.583 1.00 0.00 C ATOM 586 C TRP A 54 4.258 -0.820 -6.219 1.00 0.00 C ATOM 587 O TRP A 54 4.769 -1.780 -5.642 1.00 0.00 O ATOM 588 CB TRP A 54 3.836 -0.762 -8.700 1.00 0.00 C ATOM 589 CG TRP A 54 3.174 -2.095 -8.497 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.713 -3.208 -7.923 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.840 -2.426 -8.846 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.784 -4.226 -7.916 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.623 -3.764 -8.483 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.815 -1.708 -9.441 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.405 -4.402 -8.701 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.397 -2.336 -9.660 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.593 -3.674 -9.292 1.00 0.00 C ATOM 0 H TRP A 54 6.147 -1.841 -8.048 1.00 0.00 H new ATOM 0 HA TRP A 54 4.841 0.743 -7.514 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.063 -0.001 -8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.391 -0.787 -9.638 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.717 -3.281 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.934 -5.166 -7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.960 -0.677 -9.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.253 -5.432 -8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.205 -1.787 -10.122 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.549 -4.140 -9.478 1.00 0.00 H new ATOM 608 N CYS A 55 3.206 -0.151 -5.739 1.00 0.00 N ATOM 609 CA CYS A 55 2.571 -0.518 -4.471 1.00 0.00 C ATOM 610 C CYS A 55 1.122 -0.049 -4.408 1.00 0.00 C ATOM 611 O CYS A 55 0.715 0.882 -5.095 1.00 0.00 O ATOM 612 CB CYS A 55 3.333 0.026 -3.272 1.00 0.00 C ATOM 613 SG CYS A 55 3.416 -1.115 -1.872 1.00 0.00 S ATOM 0 H CYS A 55 2.777 0.646 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 55 2.590 -1.607 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.347 0.277 -3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.861 0.952 -2.945 1.00 0.00 H new ATOM 0 HG CYS A 55 4.085 -0.565 -0.903 1.00 0.00 H new ATOM 619 N LEU A 56 0.352 -0.731 -3.587 1.00 0.00 N ATOM 620 CA LEU A 56 -1.061 -0.437 -3.420 1.00 0.00 C ATOM 621 C LEU A 56 -1.356 0.175 -2.056 1.00 0.00 C ATOM 622 O LEU A 56 -0.550 0.062 -1.134 1.00 0.00 O ATOM 623 CB LEU A 56 -1.846 -1.721 -3.602 1.00 0.00 C ATOM 624 CG LEU A 56 -2.085 -2.149 -5.056 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.850 -1.904 -5.922 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.469 -3.614 -5.108 1.00 0.00 C ATOM 0 H LEU A 56 0.686 -1.506 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.357 0.298 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.319 -2.524 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.813 -1.608 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.900 -1.544 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.055 -2.219 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.603 -0.842 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.010 -2.476 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.637 -3.910 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.665 -4.216 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.382 -3.772 -4.533 1.00 0.00 H new ATOM 638 N VAL A 57 -2.504 0.846 -1.937 1.00 0.00 N ATOM 639 CA VAL A 57 -2.881 1.484 -0.678 1.00 0.00 C ATOM 640 C VAL A 57 -4.365 1.254 -0.336 1.00 0.00 C ATOM 641 O VAL A 57 -5.243 1.578 -1.119 1.00 0.00 O ATOM 642 CB VAL A 57 -2.590 3.013 -0.729 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.169 3.303 -0.256 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.819 3.585 -2.121 1.00 0.00 C ATOM 0 H VAL A 57 -3.182 0.960 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.278 1.024 0.104 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.291 3.504 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.983 4.376 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.049 2.954 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.458 2.786 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.605 4.654 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.160 3.087 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.856 3.424 -2.414 1.00 0.00 H new ATOM 654 N ARG A 58 -4.637 0.704 0.856 1.00 0.00 N ATOM 655 CA ARG A 58 -6.010 0.442 1.301 1.00 0.00 C ATOM 656 C ARG A 58 -6.475 1.504 2.317 1.00 0.00 C ATOM 657 O ARG A 58 -5.731 1.895 3.211 1.00 0.00 O ATOM 658 CB ARG A 58 -6.084 -0.960 1.935 1.00 0.00 C ATOM 659 CG ARG A 58 -7.269 -1.200 2.880 1.00 0.00 C ATOM 660 CD ARG A 58 -8.607 -1.129 2.157 1.00 0.00 C ATOM 661 NE ARG A 58 -8.499 -1.573 0.767 1.00 0.00 N ATOM 662 CZ ARG A 58 -9.082 -2.677 0.270 1.00 0.00 C ATOM 663 NH1 ARG A 58 -9.877 -3.442 1.015 1.00 0.00 N ATOM 664 NH2 ARG A 58 -8.869 -3.023 -0.990 1.00 0.00 N ATOM 0 H ARG A 58 -3.921 0.432 1.530 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.671 0.490 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.125 -1.699 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.161 -1.139 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.164 -2.178 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.250 -0.459 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.336 -1.748 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.980 -0.105 2.183 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.942 -1.004 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.056 -3.195 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.307 -4.275 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.264 -2.452 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.310 -3.860 -1.370 1.00 0.00 H new ATOM 678 N THR A 59 -7.723 1.946 2.199 1.00 0.00 N ATOM 679 CA THR A 59 -8.268 2.927 3.108 1.00 0.00 C ATOM 680 C THR A 59 -9.025 2.226 4.217 1.00 0.00 C ATOM 681 O THR A 59 -9.891 1.398 3.943 1.00 0.00 O ATOM 682 CB THR A 59 -9.202 3.847 2.344 1.00 0.00 C ATOM 683 OG1 THR A 59 -8.700 4.115 1.047 1.00 0.00 O ATOM 684 CG2 THR A 59 -9.449 5.165 3.011 1.00 0.00 C ATOM 0 H THR A 59 -8.372 1.634 1.477 1.00 0.00 H new ATOM 0 HA THR A 59 -7.461 3.513 3.547 1.00 0.00 H new ATOM 0 HB THR A 59 -10.146 3.304 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.265 4.993 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.126 5.761 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.896 4.999 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.504 5.696 3.129 1.00 0.00 H new ATOM 692 N THR A 60 -8.689 2.545 5.462 1.00 0.00 N ATOM 693 CA THR A 60 -9.343 1.927 6.611 1.00 0.00 C ATOM 694 C THR A 60 -10.024 2.963 7.507 1.00 0.00 C ATOM 695 O THR A 60 -10.866 2.611 8.334 1.00 0.00 O ATOM 696 CB THR A 60 -8.330 1.120 7.424 1.00 0.00 C ATOM 697 OG1 THR A 60 -8.877 0.750 8.679 1.00 0.00 O ATOM 698 CG2 THR A 60 -7.043 1.869 7.687 1.00 0.00 C ATOM 0 H THR A 60 -7.969 3.227 5.702 1.00 0.00 H new ATOM 0 HA THR A 60 -10.116 1.261 6.227 1.00 0.00 H new ATOM 0 HB THR A 60 -8.103 0.243 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.215 0.233 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.368 1.240 8.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.572 2.127 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.260 2.780 8.244 1.00 0.00 H new ATOM 706 N GLU A 61 -9.677 4.243 7.340 1.00 0.00 N ATOM 707 CA GLU A 61 -10.286 5.302 8.141 1.00 0.00 C ATOM 708 C GLU A 61 -11.542 5.865 7.469 1.00 0.00 C ATOM 709 O GLU A 61 -12.024 6.937 7.832 1.00 0.00 O ATOM 710 CB GLU A 61 -9.279 6.426 8.393 1.00 0.00 C ATOM 711 CG GLU A 61 -9.445 7.098 9.746 1.00 0.00 C ATOM 712 CD GLU A 61 -8.441 6.603 10.769 1.00 0.00 C ATOM 713 OE1 GLU A 61 -7.263 7.011 10.691 1.00 0.00 O ATOM 714 OE2 GLU A 61 -8.833 5.808 11.650 1.00 0.00 O ATOM 0 H GLU A 61 -8.985 4.566 6.664 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.582 4.865 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.269 6.022 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.380 7.176 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.337 8.176 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.454 6.918 10.116 1.00 0.00 H new ATOM 721 N ARG A 62 -12.068 5.126 6.497 1.00 0.00 N ATOM 722 CA ARG A 62 -13.255 5.515 5.777 1.00 0.00 C ATOM 723 C ARG A 62 -14.063 4.268 5.450 1.00 0.00 C ATOM 724 O ARG A 62 -13.775 3.567 4.481 1.00 0.00 O ATOM 725 CB ARG A 62 -12.862 6.244 4.497 1.00 0.00 C ATOM 726 CG ARG A 62 -12.913 7.756 4.626 1.00 0.00 C ATOM 727 CD ARG A 62 -13.490 8.414 3.379 1.00 0.00 C ATOM 728 NE ARG A 62 -14.646 9.254 3.690 1.00 0.00 N ATOM 729 CZ ARG A 62 -14.572 10.421 4.332 1.00 0.00 C ATOM 730 NH1 ARG A 62 -13.399 10.898 4.737 1.00 0.00 N ATOM 731 NH2 ARG A 62 -15.677 11.114 4.570 1.00 0.00 N ATOM 0 H ARG A 62 -11.673 4.236 6.192 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.859 6.187 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.853 5.945 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.527 5.933 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.518 8.026 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.909 8.139 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.721 9.019 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.782 7.644 2.665 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.567 8.927 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.545 10.371 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.353 11.791 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.581 10.754 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.623 12.007 5.061 1.00 0.00 H new ATOM 745 N SER A 63 -15.056 3.982 6.277 1.00 0.00 N ATOM 746 CA SER A 63 -15.886 2.801 6.085 1.00 0.00 C ATOM 747 C SER A 63 -17.000 3.067 5.067 1.00 0.00 C ATOM 748 O SER A 63 -17.722 4.058 5.189 1.00 0.00 O ATOM 749 CB SER A 63 -16.496 2.363 7.418 1.00 0.00 C ATOM 750 OG SER A 63 -15.596 1.548 8.149 1.00 0.00 O ATOM 0 H SER A 63 -15.307 4.550 7.086 1.00 0.00 H new ATOM 0 HA SER A 63 -15.251 2.004 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.757 3.242 8.008 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.421 1.816 7.236 1.00 0.00 H new ATOM 0 HG SER A 63 -16.009 1.283 8.997 1.00 0.00 H new ATOM 756 N PRO A 64 -17.166 2.198 4.039 1.00 0.00 N ATOM 757 CA PRO A 64 -16.341 0.993 3.829 1.00 0.00 C ATOM 758 C PRO A 64 -14.954 1.323 3.269 1.00 0.00 C ATOM 759 O PRO A 64 -14.783 2.332 2.584 1.00 0.00 O ATOM 760 CB PRO A 64 -17.149 0.191 2.813 1.00 0.00 C ATOM 761 CG PRO A 64 -17.887 1.220 2.032 1.00 0.00 C ATOM 762 CD PRO A 64 -18.197 2.337 2.993 1.00 0.00 C ATOM 0 HA PRO A 64 -16.149 0.462 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.500 -0.405 2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.833 -0.500 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.285 1.581 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.802 0.805 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.143 3.310 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -19.201 2.242 3.406 1.00 0.00 H new ATOM 770 N PRO A 65 -13.938 0.469 3.542 1.00 0.00 N ATOM 771 CA PRO A 65 -12.566 0.678 3.051 1.00 0.00 C ATOM 772 C PRO A 65 -12.518 1.126 1.600 1.00 0.00 C ATOM 773 O PRO A 65 -13.509 1.050 0.873 1.00 0.00 O ATOM 774 CB PRO A 65 -11.934 -0.704 3.199 1.00 0.00 C ATOM 775 CG PRO A 65 -12.638 -1.314 4.361 1.00 0.00 C ATOM 776 CD PRO A 65 -14.046 -0.771 4.341 1.00 0.00 C ATOM 0 HA PRO A 65 -12.055 1.468 3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.068 -1.300 2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.861 -0.633 3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.640 -2.401 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.137 -1.060 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.741 -1.479 3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.410 -0.567 5.348 1.00 0.00 H new ATOM 784 N GLN A 66 -11.351 1.587 1.192 1.00 0.00 N ATOM 785 CA GLN A 66 -11.126 2.047 -0.151 1.00 0.00 C ATOM 786 C GLN A 66 -9.819 1.444 -0.637 1.00 0.00 C ATOM 787 O GLN A 66 -9.091 0.854 0.158 1.00 0.00 O ATOM 788 CB GLN A 66 -11.096 3.577 -0.182 1.00 0.00 C ATOM 789 CG GLN A 66 -12.237 4.199 -0.960 1.00 0.00 C ATOM 790 CD GLN A 66 -11.768 5.038 -2.134 1.00 0.00 C ATOM 791 OE1 GLN A 66 -11.197 6.200 -1.837 1.00 0.00 O flip ATOM 792 NE2 GLN A 66 -11.915 4.646 -3.291 1.00 0.00 N flip ATOM 0 H GLN A 66 -10.530 1.650 1.794 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.932 1.732 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.121 3.952 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.152 3.903 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.894 3.409 -1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.829 4.822 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.359 3.746 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.592 5.221 -4.069 1.00 0.00 H new ATOM 801 N GLU A 67 -9.507 1.562 -1.919 1.00 0.00 N ATOM 802 CA GLU A 67 -8.268 0.987 -2.421 1.00 0.00 C ATOM 803 C GLU A 67 -7.581 1.932 -3.380 1.00 0.00 C ATOM 804 O GLU A 67 -8.228 2.695 -4.094 1.00 0.00 O ATOM 805 CB GLU A 67 -8.480 -0.371 -3.100 1.00 0.00 C ATOM 806 CG GLU A 67 -9.841 -1.010 -2.852 1.00 0.00 C ATOM 807 CD GLU A 67 -9.984 -2.362 -3.522 1.00 0.00 C ATOM 808 OE1 GLU A 67 -8.945 -2.993 -3.812 1.00 0.00 O ATOM 809 OE2 GLU A 67 -11.132 -2.792 -3.756 1.00 0.00 O ATOM 0 H GLU A 67 -10.079 2.039 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.632 0.827 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.343 -0.248 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.705 -1.057 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.994 -1.123 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.622 -0.344 -3.217 1.00 0.00 H new ATOM 816 N GLY A 68 -6.266 1.878 -3.373 1.00 0.00 N ATOM 817 CA GLY A 68 -5.486 2.753 -4.228 1.00 0.00 C ATOM 818 C GLY A 68 -4.285 2.081 -4.855 1.00 0.00 C ATOM 819 O GLY A 68 -3.850 1.018 -4.414 1.00 0.00 O ATOM 0 H GLY A 68 -5.717 1.245 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.128 3.140 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.148 3.609 -3.644 1.00 0.00 H new ATOM 823 N LEU A 69 -3.751 2.717 -5.892 1.00 0.00 N ATOM 824 CA LEU A 69 -2.594 2.199 -6.601 1.00 0.00 C ATOM 825 C LEU A 69 -1.625 3.309 -6.984 1.00 0.00 C ATOM 826 O LEU A 69 -2.018 4.341 -7.528 1.00 0.00 O ATOM 827 CB LEU A 69 -3.041 1.447 -7.850 1.00 0.00 C ATOM 828 CG LEU A 69 -3.270 -0.041 -7.634 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.627 -0.290 -6.990 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.146 -0.794 -8.949 1.00 0.00 C ATOM 0 H LEU A 69 -4.107 3.599 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.072 1.517 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.963 1.895 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.289 1.578 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.503 -0.413 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.770 -1.361 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.670 0.216 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.414 0.096 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.313 -1.857 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.889 -0.420 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.148 -0.645 -9.361 1.00 0.00 H new ATOM 842 N VAL A 70 -0.351 3.072 -6.705 1.00 0.00 N ATOM 843 CA VAL A 70 0.707 4.020 -7.021 1.00 0.00 C ATOM 844 C VAL A 70 2.030 3.277 -7.045 1.00 0.00 C ATOM 845 O VAL A 70 2.077 2.099 -6.699 1.00 0.00 O ATOM 846 CB VAL A 70 0.798 5.208 -6.015 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.325 6.495 -6.671 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.007 4.946 -4.734 1.00 0.00 C ATOM 0 H VAL A 70 -0.022 2.218 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 70 0.474 4.455 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 70 1.846 5.310 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.395 7.315 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.951 6.714 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.710 6.381 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.102 5.802 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.044 4.793 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.398 4.056 -4.241 1.00 0.00 H new ATOM 858 N PRO A 71 3.130 3.921 -7.446 1.00 0.00 N ATOM 859 CA PRO A 71 4.404 3.259 -7.479 1.00 0.00 C ATOM 860 C PRO A 71 5.130 3.353 -6.147 1.00 0.00 C ATOM 861 O PRO A 71 4.871 4.246 -5.343 1.00 0.00 O ATOM 862 CB PRO A 71 5.158 3.993 -8.567 1.00 0.00 C ATOM 863 CG PRO A 71 4.611 5.387 -8.533 1.00 0.00 C ATOM 864 CD PRO A 71 3.237 5.316 -7.891 1.00 0.00 C ATOM 0 HA PRO A 71 4.310 2.190 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.232 3.984 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.000 3.529 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.268 6.044 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.544 5.798 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.150 6.010 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.450 5.571 -8.601 1.00 0.00 H new ATOM 872 N SER A 72 6.040 2.419 -5.927 1.00 0.00 N ATOM 873 CA SER A 72 6.831 2.357 -4.708 1.00 0.00 C ATOM 874 C SER A 72 7.449 3.715 -4.368 1.00 0.00 C ATOM 875 O SER A 72 7.720 4.012 -3.209 1.00 0.00 O ATOM 876 CB SER A 72 7.929 1.302 -4.863 1.00 0.00 C ATOM 877 OG SER A 72 8.976 1.500 -3.927 1.00 0.00 O ATOM 0 H SER A 72 6.253 1.677 -6.594 1.00 0.00 H new ATOM 0 HA SER A 72 6.170 2.081 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.502 0.308 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.332 1.341 -5.875 1.00 0.00 H new ATOM 0 HG SER A 72 9.841 1.409 -4.379 1.00 0.00 H new ATOM 883 N SER A 73 7.662 4.544 -5.386 1.00 0.00 N ATOM 884 CA SER A 73 8.234 5.866 -5.171 1.00 0.00 C ATOM 885 C SER A 73 7.341 6.683 -4.242 1.00 0.00 C ATOM 886 O SER A 73 7.820 7.526 -3.483 1.00 0.00 O ATOM 887 CB SER A 73 8.409 6.594 -6.506 1.00 0.00 C ATOM 888 OG SER A 73 8.542 5.675 -7.576 1.00 0.00 O ATOM 0 H SER A 73 7.449 4.325 -6.359 1.00 0.00 H new ATOM 0 HA SER A 73 9.213 5.749 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.552 7.243 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.290 7.235 -6.461 1.00 0.00 H new ATOM 0 HG SER A 73 8.651 6.166 -8.417 1.00 0.00 H new ATOM 894 N THR A 74 6.036 6.430 -4.316 1.00 0.00 N ATOM 895 CA THR A 74 5.060 7.132 -3.498 1.00 0.00 C ATOM 896 C THR A 74 4.507 6.227 -2.397 1.00 0.00 C ATOM 897 O THR A 74 3.550 6.593 -1.723 1.00 0.00 O ATOM 898 CB THR A 74 3.920 7.638 -4.385 1.00 0.00 C ATOM 899 OG1 THR A 74 2.791 6.781 -4.339 1.00 0.00 O ATOM 900 CG2 THR A 74 4.318 7.778 -5.829 1.00 0.00 C ATOM 0 H THR A 74 5.631 5.735 -4.943 1.00 0.00 H new ATOM 0 HA THR A 74 5.554 7.977 -3.019 1.00 0.00 H new ATOM 0 HB THR A 74 3.671 8.619 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.976 7.306 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.468 8.140 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.142 8.487 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.633 6.809 -6.215 1.00 0.00 H new ATOM 908 N LEU A 75 5.102 5.048 -2.227 1.00 0.00 N ATOM 909 CA LEU A 75 4.668 4.106 -1.219 1.00 0.00 C ATOM 910 C LEU A 75 5.873 3.486 -0.529 1.00 0.00 C ATOM 911 O LEU A 75 6.818 3.050 -1.174 1.00 0.00 O ATOM 912 CB LEU A 75 3.835 3.005 -1.853 1.00 0.00 C ATOM 913 CG LEU A 75 2.537 3.470 -2.530 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.556 3.145 -4.021 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.320 2.837 -1.861 1.00 0.00 C ATOM 0 H LEU A 75 5.894 4.728 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 75 4.064 4.640 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.447 2.490 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.583 2.275 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 75 2.467 4.552 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.627 3.484 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.398 3.651 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.657 2.068 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.412 3.181 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.386 1.752 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.291 3.126 -0.810 1.00 0.00 H new ATOM 927 N CYS A 76 5.825 3.442 0.782 1.00 0.00 N ATOM 928 CA CYS A 76 6.914 2.866 1.572 1.00 0.00 C ATOM 929 C CYS A 76 7.191 1.426 1.148 1.00 0.00 C ATOM 930 O CYS A 76 6.280 0.600 1.091 1.00 0.00 O ATOM 931 CB CYS A 76 6.584 2.914 3.062 1.00 0.00 C ATOM 932 SG CYS A 76 8.019 2.713 4.143 1.00 0.00 S ATOM 0 H CYS A 76 5.045 3.797 1.335 1.00 0.00 H new ATOM 0 HA CYS A 76 7.809 3.461 1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.104 3.867 3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.860 2.131 3.288 1.00 0.00 H new ATOM 0 HG CYS A 76 7.638 2.770 5.385 1.00 0.00 H new ATOM 938 N ILE A 77 8.450 1.134 0.845 1.00 0.00 N ATOM 939 CA ILE A 77 8.838 -0.203 0.421 1.00 0.00 C ATOM 940 C ILE A 77 10.122 -0.656 1.117 1.00 0.00 C ATOM 941 O ILE A 77 10.790 0.136 1.782 1.00 0.00 O ATOM 942 CB ILE A 77 9.013 -0.272 -1.116 1.00 0.00 C ATOM 943 CG1 ILE A 77 10.248 0.519 -1.577 1.00 0.00 C ATOM 944 CG2 ILE A 77 7.759 0.243 -1.811 1.00 0.00 C ATOM 945 CD1 ILE A 77 10.139 2.013 -1.355 1.00 0.00 C ATOM 0 H ILE A 77 9.218 1.805 0.885 1.00 0.00 H new ATOM 0 HA ILE A 77 8.034 -0.880 0.709 1.00 0.00 H new ATOM 0 HB ILE A 77 9.167 -1.315 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.125 0.146 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.413 0.330 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.894 0.190 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.905 -0.369 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.580 1.278 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.049 2.500 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.283 2.401 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.006 2.214 -0.292 1.00 0.00 H new ATOM 957 N SER A 78 10.459 -1.931 0.957 1.00 0.00 N ATOM 958 CA SER A 78 11.662 -2.485 1.571 1.00 0.00 C ATOM 959 C SER A 78 12.310 -3.521 0.660 1.00 0.00 C ATOM 960 O SER A 78 13.491 -3.420 0.328 1.00 0.00 O ATOM 961 CB SER A 78 11.325 -3.114 2.923 1.00 0.00 C ATOM 962 OG SER A 78 10.503 -2.257 3.696 1.00 0.00 O ATOM 0 H SER A 78 9.918 -2.600 0.409 1.00 0.00 H new ATOM 0 HA SER A 78 12.370 -1.671 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.818 -4.066 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.245 -3.328 3.467 1.00 0.00 H new ATOM 0 HG SER A 78 10.301 -2.684 4.555 1.00 0.00 H new ATOM 968 N HIS A 79 11.530 -4.521 0.261 1.00 0.00 N ATOM 969 CA HIS A 79 12.029 -5.579 -0.611 1.00 0.00 C ATOM 970 C HIS A 79 12.519 -5.006 -1.938 1.00 0.00 C ATOM 971 O HIS A 79 13.690 -5.142 -2.290 1.00 0.00 O ATOM 972 CB HIS A 79 10.937 -6.618 -0.864 1.00 0.00 C ATOM 973 CG HIS A 79 10.707 -7.538 0.295 1.00 0.00 C ATOM 974 ND1 HIS A 79 9.606 -8.363 0.395 1.00 0.00 N ATOM 975 CD2 HIS A 79 11.444 -7.762 1.409 1.00 0.00 C ATOM 976 CE1 HIS A 79 9.676 -9.053 1.520 1.00 0.00 C ATOM 977 NE2 HIS A 79 10.782 -8.707 2.152 1.00 0.00 N ATOM 0 H HIS A 79 10.550 -4.621 0.527 1.00 0.00 H new ATOM 0 HA HIS A 79 12.870 -6.060 -0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.005 -6.104 -1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.205 -7.209 -1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.379 -7.286 1.665 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.952 -9.777 1.864 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.094 -9.082 3.048 1.00 0.00 H new ATOM 986 N SER A 80 11.613 -4.366 -2.670 1.00 0.00 N ATOM 987 CA SER A 80 11.954 -3.773 -3.959 1.00 0.00 C ATOM 988 C SER A 80 12.174 -2.269 -3.826 1.00 0.00 C ATOM 989 O SER A 80 11.528 -1.607 -3.014 1.00 0.00 O ATOM 990 CB SER A 80 10.848 -4.050 -4.979 1.00 0.00 C ATOM 991 OG SER A 80 9.688 -3.288 -4.694 1.00 0.00 O ATOM 0 H SER A 80 10.639 -4.245 -2.394 1.00 0.00 H new ATOM 0 HA SER A 80 12.882 -4.228 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.206 -3.813 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.600 -5.111 -4.972 1.00 0.00 H new ATOM 0 HG SER A 80 9.214 -3.090 -5.528 1.00 0.00 H new TER 997 SER A 80