USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 1 ARG N :NH3+ -174:sc= -0.589 (180deg=-0.634) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -32:sc= 0.292 USER MOD Single : A 20 SER OG : rot 66:sc= 0.494 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= 0.842 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.26 F(o=-3!,f=0.26) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -31:sc= 0.117 USER MOD Single : A 28 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.025) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00769 USER MOD Single : A 35 TYR OH : rot -99:sc= 0.51 USER MOD Single : A 36 SER OG : rot -57:sc= 1.2 USER MOD Single : A 41 ASN : amide:sc= 1.11 K(o=1.1,f=-0.006) USER MOD Single : A 43 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0871 K(o=0.087,f=-0.46) USER MOD Single : A 54 THR OG1 : rot -36:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.071 -5.962 3.103 1.00 0.00 N ATOM 2 CA ARG A 1 10.728 -5.531 2.689 1.00 0.00 C ATOM 3 C ARG A 1 9.745 -6.525 3.317 1.00 0.00 C ATOM 4 O ARG A 1 9.795 -7.707 2.977 1.00 0.00 O ATOM 5 CB ARG A 1 10.585 -5.403 1.161 1.00 0.00 C ATOM 6 CG ARG A 1 11.846 -4.906 0.435 1.00 0.00 C ATOM 7 CD ARG A 1 12.806 -6.020 0.022 1.00 0.00 C ATOM 8 NE ARG A 1 14.171 -5.489 -0.129 1.00 0.00 N ATOM 9 CZ ARG A 1 14.623 -4.762 -1.165 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.908 -4.663 -2.288 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.773 -4.107 -1.044 1.00 0.00 N ATOM 0 H1 ARG A 1 12.773 -5.262 2.788 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.105 -6.044 4.139 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.287 -6.885 2.675 1.00 0.00 H new ATOM 0 HA ARG A 1 10.517 -4.522 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.307 -6.375 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.764 -4.720 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.546 -4.351 -0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.374 -4.207 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.798 -6.812 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.476 -6.465 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 1 14.833 -5.691 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.010 -5.141 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.259 -4.109 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.301 -4.160 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.128 -3.551 -1.822 1.00 0.00 H new ATOM 25 N PRO A 2 8.901 -6.101 4.269 1.00 0.00 N ATOM 26 CA PRO A 2 7.966 -6.982 4.965 1.00 0.00 C ATOM 27 C PRO A 2 6.840 -7.531 4.091 1.00 0.00 C ATOM 28 O PRO A 2 6.316 -6.850 3.212 1.00 0.00 O ATOM 29 CB PRO A 2 7.409 -6.135 6.109 1.00 0.00 C ATOM 30 CG PRO A 2 7.478 -4.714 5.551 1.00 0.00 C ATOM 31 CD PRO A 2 8.765 -4.730 4.732 1.00 0.00 C ATOM 0 HA PRO A 2 8.485 -7.879 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.388 -6.420 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.004 -6.241 7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.610 -4.480 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.515 -3.969 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.708 -4.035 3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.621 -4.431 5.337 1.00 0.00 H new ATOM 39 N ARG A 3 6.366 -8.735 4.424 1.00 0.00 N ATOM 40 CA ARG A 3 5.288 -9.408 3.701 1.00 0.00 C ATOM 41 C ARG A 3 3.993 -8.616 3.621 1.00 0.00 C ATOM 42 O ARG A 3 3.245 -8.757 2.663 1.00 0.00 O ATOM 43 CB ARG A 3 4.997 -10.799 4.301 1.00 0.00 C ATOM 44 CG ARG A 3 4.205 -10.835 5.631 1.00 0.00 C ATOM 45 CD ARG A 3 4.868 -10.119 6.813 1.00 0.00 C ATOM 46 NE ARG A 3 6.228 -10.630 7.019 1.00 0.00 N ATOM 47 CZ ARG A 3 7.273 -10.003 7.561 1.00 0.00 C ATOM 48 NH1 ARG A 3 7.139 -8.816 8.143 1.00 0.00 N ATOM 49 NH2 ARG A 3 8.461 -10.573 7.448 1.00 0.00 N ATOM 0 H ARG A 3 6.725 -9.274 5.212 1.00 0.00 H new ATOM 0 HA ARG A 3 5.660 -9.506 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.445 -11.379 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.949 -11.307 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.225 -10.389 5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.038 -11.876 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.900 -9.046 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.276 -10.267 7.716 1.00 0.00 H new ATOM 0 HE ARG A 3 6.396 -11.587 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.224 -8.367 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.951 -8.354 8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.555 -11.463 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.283 -10.123 7.850 1.00 0.00 H new ATOM 63 N PHE A 4 3.697 -7.774 4.613 1.00 0.00 N ATOM 64 CA PHE A 4 2.456 -7.018 4.586 1.00 0.00 C ATOM 65 C PHE A 4 2.433 -6.029 3.419 1.00 0.00 C ATOM 66 O PHE A 4 1.360 -5.659 2.945 1.00 0.00 O ATOM 67 CB PHE A 4 2.240 -6.341 5.940 1.00 0.00 C ATOM 68 CG PHE A 4 2.961 -5.028 6.136 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.439 -3.859 5.554 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.112 -4.961 6.935 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.061 -2.624 5.801 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.749 -3.726 7.151 1.00 0.00 C ATOM 73 CZ PHE A 4 4.216 -2.555 6.594 1.00 0.00 C ATOM 0 H PHE A 4 4.289 -7.604 5.426 1.00 0.00 H new ATOM 0 HA PHE A 4 1.622 -7.699 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.172 -6.172 6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.556 -7.029 6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.565 -3.910 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.509 -5.859 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.647 -1.721 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.649 -3.680 7.746 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.693 -1.603 6.775 1.00 0.00 H new ATOM 83 N CYS A 5 3.614 -5.601 2.971 1.00 0.00 N ATOM 84 CA CYS A 5 3.760 -4.666 1.884 1.00 0.00 C ATOM 85 C CYS A 5 3.583 -5.315 0.520 1.00 0.00 C ATOM 86 O CYS A 5 3.419 -4.591 -0.450 1.00 0.00 O ATOM 87 CB CYS A 5 5.159 -4.038 1.941 1.00 0.00 C ATOM 88 SG CYS A 5 5.180 -2.259 2.191 1.00 0.00 S ATOM 0 H CYS A 5 4.503 -5.906 3.368 1.00 0.00 H new ATOM 0 HA CYS A 5 2.978 -3.916 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.721 -4.510 2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.682 -4.266 1.012 1.00 0.00 H new ATOM 93 N GLU A 6 3.606 -6.642 0.404 1.00 0.00 N ATOM 94 CA GLU A 6 3.487 -7.285 -0.912 1.00 0.00 C ATOM 95 C GLU A 6 2.120 -7.909 -1.165 1.00 0.00 C ATOM 96 O GLU A 6 1.952 -8.650 -2.137 1.00 0.00 O ATOM 97 CB GLU A 6 4.690 -8.217 -1.143 1.00 0.00 C ATOM 98 CG GLU A 6 4.617 -9.592 -0.458 1.00 0.00 C ATOM 99 CD GLU A 6 6.005 -10.210 -0.253 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.926 -9.949 -1.065 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.218 -10.889 0.775 1.00 0.00 O ATOM 0 H GLU A 6 3.704 -7.287 1.188 1.00 0.00 H new ATOM 0 HA GLU A 6 3.533 -6.516 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.803 -8.373 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.590 -7.708 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.120 -9.490 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.007 -10.265 -1.061 1.00 0.00 H new ATOM 108 N LEU A 7 1.133 -7.630 -0.312 1.00 0.00 N ATOM 109 CA LEU A 7 -0.206 -8.184 -0.443 1.00 0.00 C ATOM 110 C LEU A 7 -0.989 -7.465 -1.538 1.00 0.00 C ATOM 111 O LEU A 7 -0.584 -6.415 -2.037 1.00 0.00 O ATOM 112 CB LEU A 7 -0.946 -8.083 0.898 1.00 0.00 C ATOM 113 CG LEU A 7 -0.167 -8.621 2.109 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.054 -8.555 3.344 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.345 -10.046 1.954 1.00 0.00 C ATOM 0 H LEU A 7 1.245 -7.011 0.491 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.120 -9.234 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.196 -7.038 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.887 -8.627 0.819 1.00 0.00 H new ATOM 0 HG LEU A 7 0.714 -7.986 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.506 -8.936 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.346 -7.521 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.946 -9.161 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.882 -10.340 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.497 -10.720 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.018 -10.100 1.098 1.00 0.00 H new ATOM 127 N ALA A 8 -2.108 -8.056 -1.937 1.00 0.00 N ATOM 128 CA ALA A 8 -3.001 -7.522 -2.952 1.00 0.00 C ATOM 129 C ALA A 8 -4.150 -6.849 -2.204 1.00 0.00 C ATOM 130 O ALA A 8 -4.930 -7.562 -1.564 1.00 0.00 O ATOM 131 CB ALA A 8 -3.500 -8.644 -3.849 1.00 0.00 C ATOM 0 H ALA A 8 -2.426 -8.945 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.497 -6.804 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.168 -8.234 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.652 -9.125 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.038 -9.378 -3.249 1.00 0.00 H new ATOM 137 N PRO A 9 -4.259 -5.517 -2.186 1.00 0.00 N ATOM 138 CA PRO A 9 -5.324 -4.831 -1.478 1.00 0.00 C ATOM 139 C PRO A 9 -6.665 -5.051 -2.190 1.00 0.00 C ATOM 140 O PRO A 9 -6.957 -4.368 -3.165 1.00 0.00 O ATOM 141 CB PRO A 9 -4.885 -3.366 -1.434 1.00 0.00 C ATOM 142 CG PRO A 9 -4.036 -3.202 -2.693 1.00 0.00 C ATOM 143 CD PRO A 9 -3.412 -4.579 -2.899 1.00 0.00 C ATOM 0 HA PRO A 9 -5.485 -5.205 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.741 -2.692 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.311 -3.147 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.644 -2.907 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.274 -2.434 -2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.361 -4.829 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.392 -4.606 -2.515 1.00 0.00 H new ATOM 151 N SER A 10 -7.480 -5.987 -1.689 1.00 0.00 N ATOM 152 CA SER A 10 -8.797 -6.323 -2.228 1.00 0.00 C ATOM 153 C SER A 10 -9.769 -5.164 -1.940 1.00 0.00 C ATOM 154 O SER A 10 -10.624 -5.255 -1.056 1.00 0.00 O ATOM 155 CB SER A 10 -9.270 -7.678 -1.658 1.00 0.00 C ATOM 156 OG SER A 10 -10.393 -8.204 -2.345 1.00 0.00 O ATOM 0 H SER A 10 -7.231 -6.546 -0.873 1.00 0.00 H new ATOM 0 HA SER A 10 -8.754 -6.446 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.450 -8.394 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.520 -7.556 -0.604 1.00 0.00 H new ATOM 0 HG SER A 10 -10.649 -9.061 -1.945 1.00 0.00 H new ATOM 162 N ALA A 11 -9.634 -4.060 -2.678 1.00 0.00 N ATOM 163 CA ALA A 11 -10.442 -2.849 -2.584 1.00 0.00 C ATOM 164 C ALA A 11 -11.909 -3.092 -2.974 1.00 0.00 C ATOM 165 O ALA A 11 -12.714 -2.166 -2.930 1.00 0.00 O ATOM 166 CB ALA A 11 -9.807 -1.760 -3.460 1.00 0.00 C ATOM 0 H ALA A 11 -8.915 -3.986 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.457 -2.523 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.403 -0.849 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.795 -1.556 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.772 -2.100 -4.495 1.00 0.00 H new ATOM 172 N GLY A 12 -12.258 -4.310 -3.392 1.00 0.00 N ATOM 173 CA GLY A 12 -13.605 -4.699 -3.772 1.00 0.00 C ATOM 174 C GLY A 12 -14.307 -5.440 -2.636 1.00 0.00 C ATOM 175 O GLY A 12 -15.518 -5.641 -2.693 1.00 0.00 O ATOM 0 H GLY A 12 -11.585 -5.072 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.180 -3.813 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.567 -5.335 -4.656 1.00 0.00 H new ATOM 179 N SER A 13 -13.580 -5.823 -1.581 1.00 0.00 N ATOM 180 CA SER A 13 -14.093 -6.548 -0.423 1.00 0.00 C ATOM 181 C SER A 13 -15.047 -5.708 0.445 1.00 0.00 C ATOM 182 O SER A 13 -15.546 -6.214 1.450 1.00 0.00 O ATOM 183 CB SER A 13 -12.871 -7.028 0.365 1.00 0.00 C ATOM 184 OG SER A 13 -13.183 -7.880 1.453 1.00 0.00 O ATOM 0 H SER A 13 -12.581 -5.627 -1.512 1.00 0.00 H new ATOM 0 HA SER A 13 -14.704 -7.389 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.198 -7.553 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.330 -6.159 0.741 1.00 0.00 H new ATOM 0 HG SER A 13 -14.055 -7.630 1.825 1.00 0.00 H new ATOM 190 N CYS A 14 -15.240 -4.433 0.131 1.00 0.00 N ATOM 191 CA CYS A 14 -16.100 -3.462 0.790 1.00 0.00 C ATOM 192 C CYS A 14 -16.369 -2.373 -0.247 1.00 0.00 C ATOM 193 O CYS A 14 -15.799 -2.435 -1.340 1.00 0.00 O ATOM 194 CB CYS A 14 -15.389 -2.887 2.015 1.00 0.00 C ATOM 195 SG CYS A 14 -16.533 -2.165 3.206 1.00 0.00 S ATOM 0 H CYS A 14 -14.754 -4.016 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.031 -3.908 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.815 -3.676 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.677 -2.127 1.694 1.00 0.00 H new ATOM 200 N PHE A 15 -17.236 -1.401 0.045 1.00 0.00 N ATOM 201 CA PHE A 15 -17.486 -0.319 -0.893 1.00 0.00 C ATOM 202 C PHE A 15 -17.409 0.965 -0.091 1.00 0.00 C ATOM 203 O PHE A 15 -18.278 1.245 0.735 1.00 0.00 O ATOM 204 CB PHE A 15 -18.861 -0.497 -1.563 1.00 0.00 C ATOM 205 CG PHE A 15 -19.226 0.584 -2.575 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.453 1.917 -2.171 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.332 0.262 -3.941 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.704 2.920 -3.116 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.634 1.259 -4.886 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.801 2.592 -4.477 1.00 0.00 C ATOM 0 H PHE A 15 -17.768 -1.346 0.914 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.754 -0.305 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -18.883 -1.465 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.627 -0.522 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.433 2.167 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.181 -0.757 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.823 3.945 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.738 0.999 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.003 3.362 -5.207 1.00 0.00 H new ATOM 220 N ALA A 16 -16.299 1.673 -0.259 1.00 0.00 N ATOM 221 CA ALA A 16 -15.998 2.963 0.333 1.00 0.00 C ATOM 222 C ALA A 16 -15.026 3.673 -0.618 1.00 0.00 C ATOM 223 O ALA A 16 -14.403 2.998 -1.448 1.00 0.00 O ATOM 224 CB ALA A 16 -15.444 2.786 1.746 1.00 0.00 C ATOM 0 H ALA A 16 -15.539 1.337 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.891 3.577 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.224 3.763 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.182 2.276 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.531 2.192 1.707 1.00 0.00 H new ATOM 230 N PHE A 17 -14.778 4.972 -0.439 1.00 0.00 N ATOM 231 CA PHE A 17 -13.834 5.712 -1.278 1.00 0.00 C ATOM 232 C PHE A 17 -12.807 6.408 -0.389 1.00 0.00 C ATOM 233 O PHE A 17 -13.061 7.503 0.118 1.00 0.00 O ATOM 234 CB PHE A 17 -14.605 6.692 -2.172 1.00 0.00 C ATOM 235 CG PHE A 17 -13.754 7.652 -2.989 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.616 7.191 -3.679 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.093 9.018 -3.052 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.788 8.091 -4.368 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.274 9.919 -3.756 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.111 9.457 -4.395 1.00 0.00 C ATOM 0 H PHE A 17 -15.222 5.537 0.285 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.289 5.035 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.229 6.117 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.277 7.277 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.379 6.137 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.985 9.375 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.905 7.734 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.539 10.965 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.465 10.154 -4.908 1.00 0.00 H new ATOM 250 N VAL A 18 -11.641 5.792 -0.205 1.00 0.00 N ATOM 251 CA VAL A 18 -10.540 6.306 0.600 1.00 0.00 C ATOM 252 C VAL A 18 -9.217 6.068 -0.151 1.00 0.00 C ATOM 253 O VAL A 18 -8.625 4.991 -0.018 1.00 0.00 O ATOM 254 CB VAL A 18 -10.592 5.720 2.032 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.700 6.408 2.845 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.865 4.209 2.095 1.00 0.00 C ATOM 0 H VAL A 18 -11.432 4.888 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.625 7.384 0.740 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.598 5.901 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.728 5.988 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.498 7.477 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.662 6.247 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.884 3.886 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.827 3.993 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.078 3.675 1.563 1.00 0.00 H new ATOM 266 N PRO A 19 -8.725 7.031 -0.954 1.00 0.00 N ATOM 267 CA PRO A 19 -7.477 6.866 -1.689 1.00 0.00 C ATOM 268 C PRO A 19 -6.335 6.686 -0.695 1.00 0.00 C ATOM 269 O PRO A 19 -6.067 7.574 0.112 1.00 0.00 O ATOM 270 CB PRO A 19 -7.322 8.105 -2.566 1.00 0.00 C ATOM 271 CG PRO A 19 -8.165 9.159 -1.857 1.00 0.00 C ATOM 272 CD PRO A 19 -9.290 8.347 -1.221 1.00 0.00 C ATOM 0 HA PRO A 19 -7.471 5.982 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.279 8.412 -2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.677 7.924 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.586 9.698 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.551 9.901 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.640 8.816 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.148 8.276 -1.890 1.00 0.00 H new ATOM 280 N SER A 20 -5.689 5.527 -0.734 1.00 0.00 N ATOM 281 CA SER A 20 -4.582 5.121 0.132 1.00 0.00 C ATOM 282 C SER A 20 -3.294 4.859 -0.697 1.00 0.00 C ATOM 283 O SER A 20 -3.263 5.201 -1.880 1.00 0.00 O ATOM 284 CB SER A 20 -5.066 3.995 1.046 1.00 0.00 C ATOM 285 OG SER A 20 -6.316 4.309 1.656 1.00 0.00 O ATOM 0 H SER A 20 -5.935 4.802 -1.408 1.00 0.00 H new ATOM 0 HA SER A 20 -4.271 5.921 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.164 3.075 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.321 3.809 1.819 1.00 0.00 H new ATOM 0 HG SER A 20 -7.013 4.357 0.968 1.00 0.00 H new ATOM 291 N TYR A 21 -2.188 4.364 -0.121 1.00 0.00 N ATOM 292 CA TYR A 21 -0.921 4.121 -0.851 1.00 0.00 C ATOM 293 C TYR A 21 -0.626 2.634 -1.011 1.00 0.00 C ATOM 294 O TYR A 21 -0.864 1.884 -0.069 1.00 0.00 O ATOM 295 CB TYR A 21 0.260 4.798 -0.139 1.00 0.00 C ATOM 296 CG TYR A 21 0.594 6.177 -0.663 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.475 6.359 -1.752 1.00 0.00 C ATOM 298 CD2 TYR A 21 0.008 7.292 -0.047 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.738 7.654 -2.234 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.305 8.586 -0.495 1.00 0.00 C ATOM 301 CZ TYR A 21 1.173 8.777 -1.591 1.00 0.00 C ATOM 302 OH TYR A 21 1.483 10.039 -1.988 1.00 0.00 O ATOM 0 H TYR A 21 -2.141 4.118 0.868 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.046 4.554 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.034 4.871 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.140 4.162 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.946 5.504 -2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.676 7.153 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.373 7.790 -3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.132 9.440 0.000 1.00 0.00 H new ATOM 0 HH TYR A 21 0.999 10.685 -1.432 1.00 0.00 H new ATOM 312 N TYR A 22 -0.111 2.259 -2.191 1.00 0.00 N ATOM 313 CA TYR A 22 0.266 0.916 -2.644 1.00 0.00 C ATOM 314 C TYR A 22 1.788 0.876 -2.805 1.00 0.00 C ATOM 315 O TYR A 22 2.380 1.866 -3.240 1.00 0.00 O ATOM 316 CB TYR A 22 -0.370 0.664 -4.033 1.00 0.00 C ATOM 317 CG TYR A 22 -0.423 -0.768 -4.544 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.733 -1.422 -5.002 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.664 -1.418 -4.671 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.669 -2.711 -5.561 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.743 -2.704 -5.239 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.577 -3.363 -5.691 1.00 0.00 C ATOM 323 OH TYR A 22 -0.675 -4.590 -6.277 1.00 0.00 O ATOM 0 H TYR A 22 0.068 2.953 -2.917 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.071 0.166 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.390 1.048 -4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.177 1.260 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.689 -0.926 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.563 -0.927 -4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.573 -3.202 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.703 -3.191 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.611 -4.879 -6.275 1.00 0.00 H new ATOM 333 N TYR A 23 2.421 -0.266 -2.546 1.00 0.00 N ATOM 334 CA TYR A 23 3.879 -0.439 -2.665 1.00 0.00 C ATOM 335 C TYR A 23 4.213 -1.362 -3.833 1.00 0.00 C ATOM 336 O TYR A 23 3.615 -2.431 -3.949 1.00 0.00 O ATOM 337 CB TYR A 23 4.446 -0.976 -1.347 1.00 0.00 C ATOM 338 CG TYR A 23 5.844 -1.545 -1.400 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.966 -0.706 -1.289 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.017 -2.937 -1.464 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.251 -1.263 -1.242 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.294 -3.496 -1.355 1.00 0.00 C ATOM 343 CZ TYR A 23 8.418 -2.656 -1.302 1.00 0.00 C ATOM 344 OH TYR A 23 9.660 -3.189 -1.294 1.00 0.00 O ATOM 0 H TYR A 23 1.936 -1.111 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 23 4.341 0.527 -2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.433 -0.168 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.775 -1.752 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.838 0.365 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.159 -3.579 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.115 -0.620 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.415 -4.568 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 23 10.264 -2.605 -0.790 1.00 0.00 H new ATOM 354 N ASN A 24 5.153 -0.958 -4.692 1.00 0.00 N ATOM 355 CA ASN A 24 5.600 -1.714 -5.856 1.00 0.00 C ATOM 356 C ASN A 24 7.043 -2.148 -5.643 1.00 0.00 C ATOM 357 O ASN A 24 7.982 -1.431 -5.994 1.00 0.00 O ATOM 358 CB ASN A 24 5.441 -0.936 -7.175 1.00 0.00 C ATOM 359 CG ASN A 24 4.030 -1.072 -7.725 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.067 -0.800 -7.019 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.858 -1.478 -8.968 1.00 0.00 N ATOM 0 H ASN A 24 5.637 -0.066 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 24 4.960 -2.591 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.670 0.117 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.158 -1.307 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.916 -1.568 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.667 -1.702 -9.548 1.00 0.00 H new ATOM 368 N GLN A 25 7.227 -3.336 -5.068 1.00 0.00 N ATOM 369 CA GLN A 25 8.521 -3.952 -4.791 1.00 0.00 C ATOM 370 C GLN A 25 9.323 -4.075 -6.081 1.00 0.00 C ATOM 371 O GLN A 25 10.536 -3.889 -6.049 1.00 0.00 O ATOM 372 CB GLN A 25 8.385 -5.326 -4.099 1.00 0.00 C ATOM 373 CG GLN A 25 7.700 -6.477 -4.855 1.00 0.00 C ATOM 374 CD GLN A 25 6.211 -6.314 -5.140 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.456 -5.535 -4.385 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 5.702 -6.900 -6.085 1.00 0.00 N flip ATOM 0 H GLN A 25 6.444 -3.919 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 25 9.052 -3.303 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.387 -5.660 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.839 -5.173 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.216 -6.616 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.839 -7.393 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.272 -7.505 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.708 -6.784 -6.281 1.00 0.00 H new ATOM 385 N TYR A 26 8.657 -4.342 -7.211 1.00 0.00 N ATOM 386 CA TYR A 26 9.313 -4.478 -8.502 1.00 0.00 C ATOM 387 C TYR A 26 9.965 -3.177 -8.961 1.00 0.00 C ATOM 388 O TYR A 26 10.842 -3.225 -9.823 1.00 0.00 O ATOM 389 CB TYR A 26 8.307 -4.958 -9.549 1.00 0.00 C ATOM 390 CG TYR A 26 7.755 -6.350 -9.307 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.624 -7.455 -9.238 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.370 -6.544 -9.173 1.00 0.00 C ATOM 393 CE1 TYR A 26 8.110 -8.751 -9.069 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.847 -7.834 -8.969 1.00 0.00 C ATOM 395 CZ TYR A 26 6.716 -8.948 -8.933 1.00 0.00 C ATOM 396 OH TYR A 26 6.213 -10.202 -8.786 1.00 0.00 O ATOM 0 H TYR A 26 7.646 -4.469 -7.248 1.00 0.00 H new ATOM 0 HA TYR A 26 10.108 -5.215 -8.388 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.476 -4.254 -9.584 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.785 -4.937 -10.529 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.691 -7.306 -9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.702 -5.697 -9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.780 -9.598 -9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.784 -7.973 -8.840 1.00 0.00 H new ATOM 0 HH TYR A 26 5.237 -10.156 -8.705 1.00 0.00 H new ATOM 406 N SER A 27 9.554 -2.035 -8.412 1.00 0.00 N ATOM 407 CA SER A 27 10.106 -0.726 -8.752 1.00 0.00 C ATOM 408 C SER A 27 10.734 -0.060 -7.516 1.00 0.00 C ATOM 409 O SER A 27 11.203 1.076 -7.587 1.00 0.00 O ATOM 410 CB SER A 27 9.012 0.104 -9.431 1.00 0.00 C ATOM 411 OG SER A 27 9.562 1.238 -10.059 1.00 0.00 O ATOM 0 H SER A 27 8.817 -1.993 -7.708 1.00 0.00 H new ATOM 0 HA SER A 27 10.926 -0.820 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.489 -0.507 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.273 0.414 -8.692 1.00 0.00 H new ATOM 0 HG SER A 27 10.353 1.536 -9.562 1.00 0.00 H new ATOM 417 N ASN A 28 10.780 -0.774 -6.380 1.00 0.00 N ATOM 418 CA ASN A 28 11.322 -0.315 -5.105 1.00 0.00 C ATOM 419 C ASN A 28 10.785 1.086 -4.784 1.00 0.00 C ATOM 420 O ASN A 28 11.533 2.006 -4.461 1.00 0.00 O ATOM 421 CB ASN A 28 12.860 -0.401 -5.170 1.00 0.00 C ATOM 422 CG ASN A 28 13.600 -0.080 -3.875 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.479 0.776 -3.846 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.349 -0.808 -2.797 1.00 0.00 N ATOM 0 H ASN A 28 10.423 -1.728 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 28 10.999 -0.949 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.135 -1.408 -5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.210 0.281 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.886 -0.657 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.618 -1.519 -2.821 1.00 0.00 H new ATOM 431 N THR A 29 9.471 1.272 -4.925 1.00 0.00 N ATOM 432 CA THR A 29 8.811 2.544 -4.668 1.00 0.00 C ATOM 433 C THR A 29 7.342 2.285 -4.319 1.00 0.00 C ATOM 434 O THR A 29 6.929 1.132 -4.172 1.00 0.00 O ATOM 435 CB THR A 29 9.026 3.473 -5.884 1.00 0.00 C ATOM 436 OG1 THR A 29 8.849 4.822 -5.515 1.00 0.00 O ATOM 437 CG2 THR A 29 8.128 3.156 -7.084 1.00 0.00 C ATOM 0 H THR A 29 8.833 0.534 -5.224 1.00 0.00 H new ATOM 0 HA THR A 29 9.239 3.060 -3.809 1.00 0.00 H new ATOM 0 HB THR A 29 10.052 3.293 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.991 5.396 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.343 3.854 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.319 2.138 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.082 3.251 -6.791 1.00 0.00 H new ATOM 445 N CYS A 30 6.556 3.344 -4.150 1.00 0.00 N ATOM 446 CA CYS A 30 5.136 3.292 -3.842 1.00 0.00 C ATOM 447 C CYS A 30 4.406 4.300 -4.714 1.00 0.00 C ATOM 448 O CYS A 30 5.025 5.190 -5.297 1.00 0.00 O ATOM 449 CB CYS A 30 4.873 3.683 -2.393 1.00 0.00 C ATOM 450 SG CYS A 30 5.565 2.664 -1.085 1.00 0.00 S ATOM 0 H CYS A 30 6.908 4.298 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 30 4.791 2.273 -4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.244 4.698 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.793 3.715 -2.250 1.00 0.00 H new ATOM 455 N HIS A 31 3.079 4.210 -4.752 1.00 0.00 N ATOM 456 CA HIS A 31 2.232 5.095 -5.526 1.00 0.00 C ATOM 457 C HIS A 31 0.836 5.102 -4.908 1.00 0.00 C ATOM 458 O HIS A 31 0.404 4.103 -4.326 1.00 0.00 O ATOM 459 CB HIS A 31 2.204 4.587 -6.975 1.00 0.00 C ATOM 460 CG HIS A 31 1.968 5.665 -7.990 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.110 5.606 -9.059 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.656 6.838 -8.074 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.269 6.726 -9.781 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.187 7.523 -9.201 1.00 0.00 N ATOM 0 H HIS A 31 2.558 3.503 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 31 2.612 6.117 -5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.151 4.094 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.422 3.833 -7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.424 7.178 -7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.739 6.955 -10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.483 8.445 -9.521 1.00 0.00 H new ATOM 472 N SER A 32 0.122 6.220 -5.010 1.00 0.00 N ATOM 473 CA SER A 32 -1.223 6.303 -4.455 1.00 0.00 C ATOM 474 C SER A 32 -2.204 5.460 -5.294 1.00 0.00 C ATOM 475 O SER A 32 -2.112 5.470 -6.524 1.00 0.00 O ATOM 476 CB SER A 32 -1.630 7.771 -4.323 1.00 0.00 C ATOM 477 OG SER A 32 -1.721 8.449 -5.568 1.00 0.00 O ATOM 0 H SER A 32 0.449 7.071 -5.467 1.00 0.00 H new ATOM 0 HA SER A 32 -1.247 5.877 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.593 7.828 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.906 8.285 -3.691 1.00 0.00 H new ATOM 0 HG SER A 32 -1.986 9.380 -5.415 1.00 0.00 H new ATOM 483 N PHE A 33 -3.110 4.712 -4.654 1.00 0.00 N ATOM 484 CA PHE A 33 -4.134 3.854 -5.264 1.00 0.00 C ATOM 485 C PHE A 33 -5.479 4.091 -4.559 1.00 0.00 C ATOM 486 O PHE A 33 -5.565 4.941 -3.665 1.00 0.00 O ATOM 487 CB PHE A 33 -3.711 2.372 -5.280 1.00 0.00 C ATOM 488 CG PHE A 33 -3.997 1.586 -4.010 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.283 1.855 -2.833 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.997 0.596 -3.988 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.563 1.153 -1.651 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.306 -0.077 -2.794 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.590 0.208 -1.618 1.00 0.00 C ATOM 0 H PHE A 33 -3.151 4.688 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.251 4.125 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.216 1.879 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.641 2.322 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.510 2.610 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.530 0.352 -4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.981 1.345 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.095 -0.814 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.833 -0.300 -0.696 1.00 0.00 H new ATOM 503 N THR A 34 -6.547 3.396 -4.941 1.00 0.00 N ATOM 504 CA THR A 34 -7.886 3.541 -4.347 1.00 0.00 C ATOM 505 C THR A 34 -8.218 2.366 -3.409 1.00 0.00 C ATOM 506 O THR A 34 -8.114 1.209 -3.823 1.00 0.00 O ATOM 507 CB THR A 34 -8.930 3.709 -5.472 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.683 2.821 -6.550 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.919 5.129 -6.045 1.00 0.00 C ATOM 0 H THR A 34 -6.512 2.701 -5.686 1.00 0.00 H new ATOM 0 HA THR A 34 -7.907 4.436 -3.725 1.00 0.00 H new ATOM 0 HB THR A 34 -9.896 3.492 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.362 2.952 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.667 5.209 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.149 5.842 -5.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.933 5.348 -6.456 1.00 0.00 H new ATOM 517 N TYR A 35 -8.576 2.642 -2.143 1.00 0.00 N ATOM 518 CA TYR A 35 -8.932 1.635 -1.142 1.00 0.00 C ATOM 519 C TYR A 35 -10.349 1.894 -0.620 1.00 0.00 C ATOM 520 O TYR A 35 -10.908 2.968 -0.869 1.00 0.00 O ATOM 521 CB TYR A 35 -7.929 1.617 0.020 1.00 0.00 C ATOM 522 CG TYR A 35 -7.882 0.350 0.850 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.517 -0.871 0.252 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.081 0.411 2.241 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.311 -2.012 1.042 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.894 -0.732 3.035 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.483 -1.945 2.439 1.00 0.00 C ATOM 528 OH TYR A 35 -7.233 -3.045 3.193 1.00 0.00 O ATOM 0 H TYR A 35 -8.625 3.596 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.899 0.656 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.933 1.797 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.159 2.451 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.395 -0.930 -0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.379 1.342 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.020 -2.943 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.064 -0.684 4.100 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.077 -3.495 3.405 1.00 0.00 H new ATOM 538 N SER A 36 -10.893 0.975 0.180 1.00 0.00 N ATOM 539 CA SER A 36 -12.227 1.091 0.760 1.00 0.00 C ATOM 540 C SER A 36 -12.223 0.932 2.291 1.00 0.00 C ATOM 541 O SER A 36 -13.283 0.828 2.899 1.00 0.00 O ATOM 542 CB SER A 36 -13.180 0.136 0.037 1.00 0.00 C ATOM 543 OG SER A 36 -13.250 0.493 -1.331 1.00 0.00 O ATOM 0 H SER A 36 -10.409 0.117 0.446 1.00 0.00 H new ATOM 0 HA SER A 36 -12.597 2.104 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.831 -0.891 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.171 0.182 0.488 1.00 0.00 H new ATOM 0 HG SER A 36 -13.537 1.427 -1.411 1.00 0.00 H new ATOM 549 N GLY A 37 -11.053 0.952 2.939 1.00 0.00 N ATOM 550 CA GLY A 37 -10.897 0.833 4.386 1.00 0.00 C ATOM 551 C GLY A 37 -11.199 -0.586 4.845 1.00 0.00 C ATOM 552 O GLY A 37 -10.283 -1.344 5.173 1.00 0.00 O ATOM 0 H GLY A 37 -10.163 1.055 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.880 1.104 4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.566 1.533 4.888 1.00 0.00 H new ATOM 556 N CYS A 38 -12.484 -0.911 4.948 1.00 0.00 N ATOM 557 CA CYS A 38 -12.978 -2.223 5.330 1.00 0.00 C ATOM 558 C CYS A 38 -12.545 -3.197 4.228 1.00 0.00 C ATOM 559 O CYS A 38 -12.387 -2.798 3.066 1.00 0.00 O ATOM 560 CB CYS A 38 -14.504 -2.150 5.502 1.00 0.00 C ATOM 561 SG CYS A 38 -15.369 -1.006 4.385 1.00 0.00 S ATOM 0 H CYS A 38 -13.232 -0.244 4.761 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.573 -2.568 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.916 -3.149 5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.722 -1.860 6.530 1.00 0.00 H new ATOM 566 N GLY A 39 -12.393 -4.483 4.548 1.00 0.00 N ATOM 567 CA GLY A 39 -11.954 -5.442 3.544 1.00 0.00 C ATOM 568 C GLY A 39 -10.495 -5.175 3.170 1.00 0.00 C ATOM 569 O GLY A 39 -9.764 -4.474 3.879 1.00 0.00 O ATOM 0 H GLY A 39 -12.564 -4.875 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.060 -6.457 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.585 -5.368 2.658 1.00 0.00 H new ATOM 573 N GLY A 40 -10.044 -5.757 2.062 1.00 0.00 N ATOM 574 CA GLY A 40 -8.698 -5.579 1.553 1.00 0.00 C ATOM 575 C GLY A 40 -7.613 -6.298 2.345 1.00 0.00 C ATOM 576 O GLY A 40 -7.876 -7.233 3.106 1.00 0.00 O ATOM 0 H GLY A 40 -10.617 -6.375 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.666 -5.928 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.469 -4.513 1.536 1.00 0.00 H new ATOM 580 N ASN A 41 -6.361 -5.920 2.082 1.00 0.00 N ATOM 581 CA ASN A 41 -5.180 -6.479 2.728 1.00 0.00 C ATOM 582 C ASN A 41 -4.273 -5.357 3.201 1.00 0.00 C ATOM 583 O ASN A 41 -4.352 -4.234 2.702 1.00 0.00 O ATOM 584 CB ASN A 41 -4.394 -7.410 1.789 1.00 0.00 C ATOM 585 CG ASN A 41 -5.016 -8.799 1.711 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.979 -9.540 2.690 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.578 -9.198 0.586 1.00 0.00 N ATOM 0 H ASN A 41 -6.138 -5.198 1.396 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.521 -7.071 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.358 -6.972 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.365 -7.493 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.987 -10.130 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.603 -8.574 -0.221 1.00 0.00 H new ATOM 594 N ALA A 42 -3.307 -5.720 4.046 1.00 0.00 N ATOM 595 CA ALA A 42 -2.337 -4.824 4.649 1.00 0.00 C ATOM 596 C ALA A 42 -1.490 -3.983 3.681 1.00 0.00 C ATOM 597 O ALA A 42 -0.810 -3.088 4.179 1.00 0.00 O ATOM 598 CB ALA A 42 -1.454 -5.609 5.623 1.00 0.00 C ATOM 0 H ALA A 42 -3.179 -6.689 4.337 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.928 -4.075 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.725 -4.937 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.075 -6.050 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.932 -6.400 5.084 1.00 0.00 H new ATOM 604 N ASN A 43 -1.516 -4.214 2.354 1.00 0.00 N ATOM 605 CA ASN A 43 -0.748 -3.400 1.396 1.00 0.00 C ATOM 606 C ASN A 43 -1.249 -1.942 1.374 1.00 0.00 C ATOM 607 O ASN A 43 -0.722 -1.112 0.644 1.00 0.00 O ATOM 608 CB ASN A 43 -0.775 -4.019 -0.007 1.00 0.00 C ATOM 609 CG ASN A 43 0.085 -3.264 -1.032 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.217 -2.877 -0.782 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.396 -3.071 -2.244 1.00 0.00 N ATOM 0 H ASN A 43 -2.062 -4.959 1.922 1.00 0.00 H new ATOM 0 HA ASN A 43 0.289 -3.387 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.429 -5.051 0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.805 -4.048 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.174 -2.607 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.338 -3.386 -2.475 1.00 0.00 H new ATOM 618 N ARG A 44 -2.332 -1.619 2.088 1.00 0.00 N ATOM 619 CA ARG A 44 -2.825 -0.253 2.161 1.00 0.00 C ATOM 620 C ARG A 44 -1.987 0.482 3.209 1.00 0.00 C ATOM 621 O ARG A 44 -1.859 0.008 4.339 1.00 0.00 O ATOM 622 CB ARG A 44 -4.311 -0.243 2.545 1.00 0.00 C ATOM 623 CG ARG A 44 -4.800 1.163 2.953 1.00 0.00 C ATOM 624 CD ARG A 44 -4.850 1.446 4.462 1.00 0.00 C ATOM 625 NE ARG A 44 -5.668 0.460 5.180 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.085 0.578 6.445 1.00 0.00 C ATOM 627 NH1 ARG A 44 -5.759 1.629 7.185 1.00 0.00 N ATOM 628 NH2 ARG A 44 -6.841 -0.360 7.004 1.00 0.00 N ATOM 0 H ARG A 44 -2.881 -2.292 2.623 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.736 0.242 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.904 -0.602 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.476 -0.936 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.149 1.902 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.798 1.312 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.838 1.440 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.254 2.444 4.630 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.940 -0.382 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.178 2.369 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.089 1.697 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.111 -1.184 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.151 -0.256 7.970 1.00 0.00 H new ATOM 642 N PHE A 45 -1.509 1.678 2.869 1.00 0.00 N ATOM 643 CA PHE A 45 -0.715 2.554 3.736 1.00 0.00 C ATOM 644 C PHE A 45 -1.370 3.932 3.760 1.00 0.00 C ATOM 645 O PHE A 45 -2.318 4.170 3.011 1.00 0.00 O ATOM 646 CB PHE A 45 0.742 2.634 3.273 1.00 0.00 C ATOM 647 CG PHE A 45 1.287 1.318 2.784 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.192 0.154 3.573 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.756 1.239 1.468 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.561 -1.087 3.029 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.135 0.005 0.947 1.00 0.00 C ATOM 652 CZ PHE A 45 2.056 -1.156 1.721 1.00 0.00 C ATOM 0 H PHE A 45 -1.669 2.081 1.946 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.693 2.143 4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.822 3.371 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.359 2.990 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.837 0.216 4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.823 2.129 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.463 -1.987 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.495 -0.056 -0.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.376 -2.103 1.312 1.00 0.00 H new ATOM 662 N ARG A 46 -0.868 4.847 4.596 1.00 0.00 N ATOM 663 CA ARG A 46 -1.422 6.198 4.732 1.00 0.00 C ATOM 664 C ARG A 46 -0.582 7.243 4.024 1.00 0.00 C ATOM 665 O ARG A 46 -1.080 8.332 3.750 1.00 0.00 O ATOM 666 CB ARG A 46 -1.720 6.560 6.203 1.00 0.00 C ATOM 667 CG ARG A 46 -0.797 5.989 7.298 1.00 0.00 C ATOM 668 CD ARG A 46 0.698 6.301 7.156 1.00 0.00 C ATOM 669 NE ARG A 46 0.976 7.740 7.270 1.00 0.00 N ATOM 670 CZ ARG A 46 1.341 8.380 8.389 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.534 7.744 9.535 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.501 9.690 8.371 1.00 0.00 N ATOM 0 H ARG A 46 -0.064 4.671 5.199 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.384 6.195 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.704 7.647 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.738 6.238 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.136 6.367 8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.920 4.906 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.255 5.763 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.053 5.939 6.191 1.00 0.00 H new ATOM 0 HE ARG A 46 0.883 8.300 6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.405 6.733 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.812 8.265 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.347 10.211 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.779 10.182 9.220 1.00 0.00 H new ATOM 686 N THR A 47 0.688 6.958 3.754 1.00 0.00 N ATOM 687 CA THR A 47 1.550 7.882 3.054 1.00 0.00 C ATOM 688 C THR A 47 2.735 7.124 2.481 1.00 0.00 C ATOM 689 O THR A 47 3.095 6.046 2.971 1.00 0.00 O ATOM 690 CB THR A 47 2.001 9.036 3.970 1.00 0.00 C ATOM 691 OG1 THR A 47 2.617 10.070 3.231 1.00 0.00 O ATOM 692 CG2 THR A 47 3.013 8.555 5.014 1.00 0.00 C ATOM 0 H THR A 47 1.140 6.082 4.016 1.00 0.00 H new ATOM 0 HA THR A 47 0.994 8.337 2.234 1.00 0.00 H new ATOM 0 HB THR A 47 1.100 9.407 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.891 10.788 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.311 9.393 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.558 7.780 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.890 8.149 4.510 1.00 0.00 H new ATOM 700 N ILE A 48 3.346 7.718 1.462 1.00 0.00 N ATOM 701 CA ILE A 48 4.513 7.180 0.806 1.00 0.00 C ATOM 702 C ILE A 48 5.710 7.236 1.758 1.00 0.00 C ATOM 703 O ILE A 48 6.578 6.372 1.719 1.00 0.00 O ATOM 704 CB ILE A 48 4.806 7.896 -0.527 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.130 7.370 -1.120 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.796 9.432 -0.410 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.348 7.814 -2.567 1.00 0.00 C ATOM 0 H ILE A 48 3.031 8.604 1.067 1.00 0.00 H new ATOM 0 HA ILE A 48 4.318 6.138 0.553 1.00 0.00 H new ATOM 0 HB ILE A 48 3.992 7.660 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.961 7.720 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.136 6.281 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.009 9.872 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.816 9.764 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.556 9.747 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.294 7.415 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.534 7.442 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.372 8.903 -2.614 1.00 0.00 H new ATOM 719 N ASP A 49 5.743 8.228 2.644 1.00 0.00 N ATOM 720 CA ASP A 49 6.838 8.411 3.586 1.00 0.00 C ATOM 721 C ASP A 49 6.930 7.218 4.545 1.00 0.00 C ATOM 722 O ASP A 49 8.021 6.830 4.950 1.00 0.00 O ATOM 723 CB ASP A 49 6.712 9.753 4.327 1.00 0.00 C ATOM 724 CG ASP A 49 6.617 10.981 3.409 1.00 0.00 C ATOM 725 OD1 ASP A 49 7.023 10.949 2.224 1.00 0.00 O ATOM 726 OD2 ASP A 49 6.081 12.016 3.871 1.00 0.00 O ATOM 0 H ASP A 49 5.007 8.929 2.727 1.00 0.00 H new ATOM 0 HA ASP A 49 7.774 8.449 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.827 9.721 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.573 9.873 4.985 1.00 0.00 H new ATOM 731 N GLU A 50 5.797 6.602 4.901 1.00 0.00 N ATOM 732 CA GLU A 50 5.754 5.462 5.796 1.00 0.00 C ATOM 733 C GLU A 50 6.016 4.199 4.990 1.00 0.00 C ATOM 734 O GLU A 50 6.803 3.353 5.413 1.00 0.00 O ATOM 735 CB GLU A 50 4.372 5.365 6.475 1.00 0.00 C ATOM 736 CG GLU A 50 4.362 4.451 7.711 1.00 0.00 C ATOM 737 CD GLU A 50 5.140 5.011 8.913 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.448 6.224 8.941 1.00 0.00 O ATOM 739 OE2 GLU A 50 5.356 4.244 9.878 1.00 0.00 O ATOM 0 H GLU A 50 4.878 6.892 4.566 1.00 0.00 H new ATOM 0 HA GLU A 50 6.513 5.579 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.049 6.364 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.645 4.994 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.329 4.275 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.784 3.484 7.438 1.00 0.00 H new ATOM 746 N CYS A 51 5.366 4.074 3.826 1.00 0.00 N ATOM 747 CA CYS A 51 5.514 2.893 2.999 1.00 0.00 C ATOM 748 C CYS A 51 6.942 2.686 2.504 1.00 0.00 C ATOM 749 O CYS A 51 7.435 1.557 2.476 1.00 0.00 O ATOM 750 CB CYS A 51 4.511 2.909 1.841 1.00 0.00 C ATOM 751 SG CYS A 51 5.059 3.875 0.433 1.00 0.00 S ATOM 0 H CYS A 51 4.736 4.780 3.445 1.00 0.00 H new ATOM 0 HA CYS A 51 5.291 2.035 3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.324 1.885 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.562 3.309 2.198 1.00 0.00 H new ATOM 756 N ASN A 52 7.615 3.772 2.124 1.00 0.00 N ATOM 757 CA ASN A 52 8.963 3.682 1.627 1.00 0.00 C ATOM 758 C ASN A 52 9.885 3.407 2.803 1.00 0.00 C ATOM 759 O ASN A 52 10.553 2.377 2.789 1.00 0.00 O ATOM 760 CB ASN A 52 9.341 4.859 0.716 1.00 0.00 C ATOM 761 CG ASN A 52 10.108 5.954 1.413 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.309 5.827 1.634 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.397 7.000 1.771 1.00 0.00 N ATOM 0 H ASN A 52 7.237 4.719 2.156 1.00 0.00 H new ATOM 0 HA ASN A 52 9.071 2.840 0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.938 4.484 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.431 5.282 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.841 7.773 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.401 7.038 1.554 1.00 0.00 H new ATOM 770 N ARG A 53 9.831 4.204 3.876 1.00 0.00 N ATOM 771 CA ARG A 53 10.711 3.967 5.025 1.00 0.00 C ATOM 772 C ARG A 53 10.582 2.546 5.601 1.00 0.00 C ATOM 773 O ARG A 53 11.558 2.014 6.133 1.00 0.00 O ATOM 774 CB ARG A 53 10.572 5.091 6.075 1.00 0.00 C ATOM 775 CG ARG A 53 9.472 4.892 7.133 1.00 0.00 C ATOM 776 CD ARG A 53 9.282 6.127 8.029 1.00 0.00 C ATOM 777 NE ARG A 53 10.490 6.435 8.817 1.00 0.00 N ATOM 778 CZ ARG A 53 10.736 7.560 9.498 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.764 8.443 9.720 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.958 7.783 9.971 1.00 0.00 N ATOM 0 H ARG A 53 9.202 5.001 3.973 1.00 0.00 H new ATOM 0 HA ARG A 53 11.739 4.012 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.527 5.202 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.381 6.028 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.531 4.662 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.722 4.032 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.025 6.987 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.443 5.958 8.704 1.00 0.00 H new ATOM 0 HE ARG A 53 11.213 5.716 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.823 8.264 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.961 9.298 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.698 7.099 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.155 8.638 10.491 1.00 0.00 H new ATOM 794 N THR A 54 9.422 1.892 5.463 1.00 0.00 N ATOM 795 CA THR A 54 9.201 0.548 5.982 1.00 0.00 C ATOM 796 C THR A 54 9.367 -0.601 4.966 1.00 0.00 C ATOM 797 O THR A 54 9.417 -1.746 5.422 1.00 0.00 O ATOM 798 CB THR A 54 7.855 0.516 6.719 1.00 0.00 C ATOM 799 OG1 THR A 54 7.859 -0.535 7.672 1.00 0.00 O ATOM 800 CG2 THR A 54 6.659 0.352 5.781 1.00 0.00 C ATOM 0 H THR A 54 8.611 2.286 4.986 1.00 0.00 H new ATOM 0 HA THR A 54 10.011 0.343 6.682 1.00 0.00 H new ATOM 0 HB THR A 54 7.741 1.482 7.212 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.364 -1.296 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.738 0.337 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.630 1.185 5.079 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.755 -0.583 5.230 1.00 0.00 H new ATOM 808 N CYS A 55 9.429 -0.371 3.645 1.00 0.00 N ATOM 809 CA CYS A 55 9.566 -1.447 2.650 1.00 0.00 C ATOM 810 C CYS A 55 10.492 -1.122 1.479 1.00 0.00 C ATOM 811 O CYS A 55 10.916 -2.039 0.776 1.00 0.00 O ATOM 812 CB CYS A 55 8.195 -1.819 2.070 1.00 0.00 C ATOM 813 SG CYS A 55 6.866 -2.023 3.277 1.00 0.00 S ATOM 0 H CYS A 55 9.386 0.563 3.237 1.00 0.00 H new ATOM 0 HA CYS A 55 10.014 -2.273 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.900 -1.048 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.298 -2.748 1.509 1.00 0.00 H new ATOM 818 N VAL A 56 10.745 0.146 1.178 1.00 0.00 N ATOM 819 CA VAL A 56 11.643 0.557 0.098 1.00 0.00 C ATOM 820 C VAL A 56 13.045 0.463 0.697 1.00 0.00 C ATOM 821 O VAL A 56 13.593 1.439 1.209 1.00 0.00 O ATOM 822 CB VAL A 56 11.268 1.946 -0.458 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.302 2.578 -1.393 1.00 0.00 C ATOM 824 CG2 VAL A 56 9.943 1.852 -1.231 1.00 0.00 C ATOM 0 H VAL A 56 10.329 0.930 1.681 1.00 0.00 H new ATOM 0 HA VAL A 56 11.573 -0.082 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 56 11.202 2.587 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.943 3.551 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.245 2.703 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.455 1.931 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.680 2.834 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.053 1.149 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.155 1.505 -0.562 1.00 0.00 H new ATOM 834 N GLY A 57 13.566 -0.764 0.706 1.00 0.00 N ATOM 835 CA GLY A 57 14.884 -1.089 1.212 1.00 0.00 C ATOM 836 C GLY A 57 15.907 -0.805 0.136 1.00 0.00 C ATOM 837 O GLY A 57 17.092 -0.674 0.504 1.00 0.00 O ATOM 0 H GLY A 57 13.062 -1.576 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.101 -0.500 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.927 -2.138 1.505 1.00 0.00 H new