USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 364 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 LYS NZ :NH3+ -137:sc= 0.651 (180deg=-0.329) USER MOD Set 1.2: A 34 HIS : no HE2:sc= 0.581 K(o=1.2,f=-3.7) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0.0153 USER MOD Set 2.2: A 28 MET CE :methyl -153:sc= -0.126 (180deg=-0.707) USER MOD Set 3.1: A 21 ASN : amide:sc= 1.06 K(o=2.2,f=-3.2!) USER MOD Set 3.2: A 23 TYR OH : rot -14:sc= 1.24 USER MOD Set 3.3: A 37 ASN : amide:sc= -0.0777 K(o=2.2,f=1.3) USER MOD Single : A 1 PHE N :NH3+ -130:sc= 0.665 (180deg=0.0323) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 4 ASN : amide:sc= 0.775 K(o=0.78,f=-0.13) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 18 SER OG : rot 96:sc= 0.987 USER MOD Single : A 22 THR OG1 : rot 90:sc= 0.324 USER MOD Single : A 25 ASN : amide:sc= 1.43 K(o=1.4,f=-5.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.3) USER MOD Single : A 44 HIS : no HE2:sc= 0.904 K(o=0.92,f=-4.3!) USER MOD Single : A 51 HIS : no HE2:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : A 53 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -14.667 5.414 5.759 1.00 0.00 N ATOM 2 CA PHE A 1 -13.555 5.154 4.831 1.00 0.00 C ATOM 3 C PHE A 1 -13.459 6.315 3.851 1.00 0.00 C ATOM 4 O PHE A 1 -14.468 6.661 3.249 1.00 0.00 O ATOM 5 CB PHE A 1 -13.753 3.812 4.124 1.00 0.00 C ATOM 6 CG PHE A 1 -15.155 3.513 3.609 1.00 0.00 C ATOM 7 CD1 PHE A 1 -15.558 3.975 2.341 1.00 0.00 C ATOM 8 CD2 PHE A 1 -16.056 2.763 4.392 1.00 0.00 C ATOM 9 CE1 PHE A 1 -16.859 3.720 1.873 1.00 0.00 C ATOM 10 CE2 PHE A 1 -17.357 2.505 3.921 1.00 0.00 C ATOM 11 CZ PHE A 1 -17.761 2.988 2.664 1.00 0.00 C ATOM 0 H1 PHE A 1 -14.340 5.285 6.738 1.00 0.00 H new ATOM 0 H2 PHE A 1 -15.004 6.390 5.632 1.00 0.00 H new ATOM 0 H3 PHE A 1 -15.444 4.751 5.564 1.00 0.00 H new ATOM 0 HA PHE A 1 -12.613 5.083 5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -13.063 3.766 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -13.467 3.018 4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -14.864 4.528 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -15.747 2.385 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -17.166 4.087 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -18.046 1.935 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 1 -18.762 2.797 2.307 1.00 0.00 H new ATOM 23 N GLN A 2 -12.306 6.998 3.819 1.00 0.00 N ATOM 24 CA GLN A 2 -11.650 7.518 2.621 1.00 0.00 C ATOM 25 C GLN A 2 -10.330 8.151 3.069 1.00 0.00 C ATOM 26 O GLN A 2 -9.276 7.525 3.012 1.00 0.00 O ATOM 27 CB GLN A 2 -12.519 8.478 1.784 1.00 0.00 C ATOM 28 CG GLN A 2 -11.793 8.827 0.476 1.00 0.00 C ATOM 29 CD GLN A 2 -12.458 9.978 -0.278 1.00 0.00 C ATOM 30 OE1 GLN A 2 -12.788 11.006 0.301 1.00 0.00 O ATOM 31 NE2 GLN A 2 -12.633 9.851 -1.586 1.00 0.00 N ATOM 0 H GLN A 2 -11.785 7.210 4.670 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.468 6.694 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.481 8.015 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.724 9.386 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.760 9.093 0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.765 7.946 -0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.354 8.990 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.046 10.614 -2.122 1.00 0.00 H new ATOM 40 N GLY A 3 -10.406 9.390 3.564 1.00 0.00 N ATOM 41 CA GLY A 3 -9.245 10.204 3.893 1.00 0.00 C ATOM 42 C GLY A 3 -8.559 9.739 5.170 1.00 0.00 C ATOM 43 O GLY A 3 -7.334 9.703 5.212 1.00 0.00 O ATOM 0 H GLY A 3 -11.293 9.858 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.534 10.170 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.553 11.244 4.006 1.00 0.00 H new ATOM 47 N ASN A 4 -9.323 9.338 6.196 1.00 0.00 N ATOM 48 CA ASN A 4 -8.740 8.995 7.491 1.00 0.00 C ATOM 49 C ASN A 4 -7.794 7.789 7.480 1.00 0.00 C ATOM 50 O ASN A 4 -6.752 7.898 8.126 1.00 0.00 O ATOM 51 CB ASN A 4 -9.772 8.852 8.624 1.00 0.00 C ATOM 52 CG ASN A 4 -9.247 9.550 9.886 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.981 10.298 10.518 1.00 0.00 O ATOM 54 ND2 ASN A 4 -7.974 9.349 10.222 1.00 0.00 N ATOM 0 H ASN A 4 -10.338 9.245 6.151 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.126 9.870 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.723 9.291 8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.959 7.798 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.579 9.827 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.394 8.717 9.669 1.00 0.00 H new ATOM 61 N PRO A 5 -8.081 6.655 6.809 1.00 0.00 N ATOM 62 CA PRO A 5 -7.074 5.607 6.658 1.00 0.00 C ATOM 63 C PRO A 5 -5.783 6.130 6.003 1.00 0.00 C ATOM 64 O PRO A 5 -4.711 5.630 6.332 1.00 0.00 O ATOM 65 CB PRO A 5 -7.778 4.479 5.897 1.00 0.00 C ATOM 66 CG PRO A 5 -9.002 5.098 5.255 1.00 0.00 C ATOM 67 CD PRO A 5 -9.344 6.244 6.202 1.00 0.00 C ATOM 0 HA PRO A 5 -6.712 5.232 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.119 4.049 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.060 3.671 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.792 5.456 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.821 4.383 5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.805 7.071 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.056 5.923 6.962 1.00 0.00 H new ATOM 75 N CYS A 6 -5.851 7.171 5.160 1.00 0.00 N ATOM 76 CA CYS A 6 -4.724 7.758 4.432 1.00 0.00 C ATOM 77 C CYS A 6 -4.286 9.104 5.039 1.00 0.00 C ATOM 78 O CYS A 6 -3.739 9.955 4.336 1.00 0.00 O ATOM 79 CB CYS A 6 -5.076 7.865 2.939 1.00 0.00 C ATOM 80 SG CYS A 6 -4.726 6.392 1.941 1.00 0.00 S ATOM 0 H CYS A 6 -6.732 7.645 4.961 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.860 7.101 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.137 8.097 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.529 8.707 2.515 1.00 0.00 H new ATOM 85 N GLU A 7 -4.478 9.294 6.351 1.00 0.00 N ATOM 86 CA GLU A 7 -3.983 10.458 7.096 1.00 0.00 C ATOM 87 C GLU A 7 -2.451 10.610 6.957 1.00 0.00 C ATOM 88 O GLU A 7 -1.917 11.718 7.004 1.00 0.00 O ATOM 89 CB GLU A 7 -4.428 10.277 8.559 1.00 0.00 C ATOM 90 CG GLU A 7 -4.301 11.517 9.450 1.00 0.00 C ATOM 91 CD GLU A 7 -4.812 11.211 10.866 1.00 0.00 C ATOM 92 OE1 GLU A 7 -6.048 11.050 11.024 1.00 0.00 O ATOM 93 OE2 GLU A 7 -3.958 11.113 11.773 1.00 0.00 O ATOM 0 H GLU A 7 -4.990 8.632 6.934 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.398 11.382 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.469 9.953 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.840 9.473 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.260 11.837 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.870 12.341 9.021 1.00 0.00 H new ATOM 100 N CYS A 8 -1.762 9.483 6.737 1.00 0.00 N ATOM 101 CA CYS A 8 -0.326 9.331 6.531 1.00 0.00 C ATOM 102 C CYS A 8 0.251 10.136 5.352 1.00 0.00 C ATOM 103 O CYS A 8 -0.482 10.573 4.458 1.00 0.00 O ATOM 104 CB CYS A 8 -0.053 7.838 6.328 1.00 0.00 C ATOM 105 SG CYS A 8 0.444 6.986 7.836 1.00 0.00 S ATOM 0 H CYS A 8 -2.239 8.583 6.696 1.00 0.00 H new ATOM 0 HA CYS A 8 0.175 9.735 7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.950 7.363 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.729 7.719 5.578 1.00 0.00 H new ATOM 110 N PRO A 9 1.586 10.318 5.308 1.00 0.00 N ATOM 111 CA PRO A 9 2.228 11.129 4.286 1.00 0.00 C ATOM 112 C PRO A 9 2.358 10.351 2.972 1.00 0.00 C ATOM 113 O PRO A 9 2.344 9.115 2.943 1.00 0.00 O ATOM 114 CB PRO A 9 3.598 11.474 4.875 1.00 0.00 C ATOM 115 CG PRO A 9 3.949 10.227 5.686 1.00 0.00 C ATOM 116 CD PRO A 9 2.594 9.731 6.191 1.00 0.00 C ATOM 0 HA PRO A 9 1.655 12.023 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.335 11.669 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.555 12.364 5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.447 9.477 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.622 10.462 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.545 8.642 6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.430 10.035 7.225 1.00 0.00 H new ATOM 124 N ARG A 10 2.584 11.076 1.871 1.00 0.00 N ATOM 125 CA ARG A 10 2.861 10.468 0.570 1.00 0.00 C ATOM 126 C ARG A 10 4.361 10.139 0.444 1.00 0.00 C ATOM 127 O ARG A 10 4.981 10.375 -0.587 1.00 0.00 O ATOM 128 CB ARG A 10 2.380 11.412 -0.552 1.00 0.00 C ATOM 129 CG ARG A 10 0.878 11.767 -0.535 1.00 0.00 C ATOM 130 CD ARG A 10 0.493 12.986 0.326 1.00 0.00 C ATOM 131 NE ARG A 10 -0.102 12.633 1.634 1.00 0.00 N ATOM 132 CZ ARG A 10 -0.711 13.485 2.477 1.00 0.00 C ATOM 133 NH1 ARG A 10 -0.789 14.787 2.191 1.00 0.00 N ATOM 134 NH2 ARG A 10 -1.237 13.037 3.616 1.00 0.00 N ATOM 0 H ARG A 10 2.580 12.096 1.859 1.00 0.00 H new ATOM 0 HA ARG A 10 2.316 9.529 0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.953 12.337 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.614 10.953 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.555 11.951 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.322 10.901 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.382 13.594 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.214 13.602 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.045 11.656 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.384 15.144 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.253 15.424 2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.178 12.046 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.699 13.685 4.254 1.00 0.00 H new ATOM 148 N ALA A 11 4.945 9.589 1.510 1.00 0.00 N ATOM 149 CA ALA A 11 6.281 9.058 1.591 1.00 0.00 C ATOM 150 C ALA A 11 6.428 7.821 0.714 1.00 0.00 C ATOM 151 O ALA A 11 5.646 6.888 0.867 1.00 0.00 O ATOM 152 CB ALA A 11 6.610 8.761 3.058 1.00 0.00 C ATOM 0 H ALA A 11 4.449 9.503 2.397 1.00 0.00 H new ATOM 0 HA ALA A 11 6.993 9.793 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.620 8.358 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.544 9.681 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.900 8.032 3.450 1.00 0.00 H new ATOM 158 N LEU A 12 7.435 7.789 -0.162 1.00 0.00 N ATOM 159 CA LEU A 12 7.732 6.688 -1.075 1.00 0.00 C ATOM 160 C LEU A 12 8.491 5.540 -0.371 1.00 0.00 C ATOM 161 O LEU A 12 9.421 4.952 -0.923 1.00 0.00 O ATOM 162 CB LEU A 12 8.537 7.307 -2.237 1.00 0.00 C ATOM 163 CG LEU A 12 7.714 7.948 -3.371 1.00 0.00 C ATOM 164 CD1 LEU A 12 7.076 6.877 -4.269 1.00 0.00 C ATOM 165 CD2 LEU A 12 6.641 8.945 -2.921 1.00 0.00 C ATOM 0 H LEU A 12 8.092 8.563 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 12 6.818 6.223 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.203 8.066 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.168 6.530 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 12 8.446 8.530 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.502 7.360 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.858 6.261 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.415 6.249 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.120 9.338 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.927 8.442 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.111 9.766 -2.379 1.00 0.00 H new ATOM 177 N HIS A 13 8.075 5.162 0.839 1.00 0.00 N ATOM 178 CA HIS A 13 8.640 4.040 1.593 1.00 0.00 C ATOM 179 C HIS A 13 8.006 2.719 1.123 1.00 0.00 C ATOM 180 O HIS A 13 7.410 2.004 1.922 1.00 0.00 O ATOM 181 CB HIS A 13 8.445 4.289 3.100 1.00 0.00 C ATOM 182 CG HIS A 13 9.088 5.555 3.619 1.00 0.00 C ATOM 183 ND1 HIS A 13 10.151 6.231 3.057 1.00 0.00 N ATOM 184 CD2 HIS A 13 8.730 6.223 4.759 1.00 0.00 C ATOM 185 CE1 HIS A 13 10.420 7.286 3.846 1.00 0.00 C ATOM 186 NE2 HIS A 13 9.576 7.327 4.888 1.00 0.00 N ATOM 0 H HIS A 13 7.320 5.637 1.333 1.00 0.00 H new ATOM 0 HA HIS A 13 9.711 3.960 1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.377 4.326 3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.850 3.440 3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.936 5.946 5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.208 8.002 3.666 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.556 8.027 5.629 1.00 0.00 H new ATOM 194 N ARG A 14 8.091 2.433 -0.183 1.00 0.00 N ATOM 195 CA ARG A 14 7.254 1.466 -0.902 1.00 0.00 C ATOM 196 C ARG A 14 7.245 0.057 -0.309 1.00 0.00 C ATOM 197 O ARG A 14 8.286 -0.450 0.108 1.00 0.00 O ATOM 198 CB ARG A 14 7.738 1.358 -2.343 1.00 0.00 C ATOM 199 CG ARG A 14 7.307 2.518 -3.250 1.00 0.00 C ATOM 200 CD ARG A 14 8.009 2.452 -4.615 1.00 0.00 C ATOM 201 NE ARG A 14 8.197 1.062 -5.069 1.00 0.00 N ATOM 202 CZ ARG A 14 8.049 0.565 -6.303 1.00 0.00 C ATOM 203 NH1 ARG A 14 7.497 1.244 -7.305 1.00 0.00 N ATOM 204 NH2 ARG A 14 8.439 -0.665 -6.583 1.00 0.00 N ATOM 0 H ARG A 14 8.772 2.888 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 14 6.237 1.850 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.826 1.299 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.368 0.425 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.227 2.488 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.539 3.466 -2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.421 2.999 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.978 2.947 -4.549 1.00 0.00 H new ATOM 0 HE ARG A 14 8.476 0.393 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.161 2.195 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.410 0.814 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.857 -1.245 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.322 -1.035 -7.526 1.00 0.00 H new ATOM 218 N VAL A 15 6.083 -0.612 -0.376 1.00 0.00 N ATOM 219 CA VAL A 15 5.883 -1.953 0.180 1.00 0.00 C ATOM 220 C VAL A 15 4.913 -2.770 -0.652 1.00 0.00 C ATOM 221 O VAL A 15 4.090 -2.195 -1.356 1.00 0.00 O ATOM 222 CB VAL A 15 5.346 -1.895 1.614 1.00 0.00 C ATOM 223 CG1 VAL A 15 6.152 -0.913 2.444 1.00 0.00 C ATOM 224 CG2 VAL A 15 3.867 -1.504 1.700 1.00 0.00 C ATOM 0 H VAL A 15 5.249 -0.230 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 15 6.864 -2.429 0.171 1.00 0.00 H new ATOM 0 HB VAL A 15 5.444 -2.908 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.757 -0.885 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.195 -1.228 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.084 0.080 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.556 -1.483 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.725 -0.517 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.266 -2.233 1.157 1.00 0.00 H new ATOM 234 N CYS A 16 4.920 -4.092 -0.480 1.00 0.00 N ATOM 235 CA CYS A 16 3.988 -4.985 -1.140 1.00 0.00 C ATOM 236 C CYS A 16 2.862 -5.422 -0.212 1.00 0.00 C ATOM 237 O CYS A 16 3.109 -5.858 0.912 1.00 0.00 O ATOM 238 CB CYS A 16 4.760 -6.187 -1.661 1.00 0.00 C ATOM 239 SG CYS A 16 3.831 -7.230 -2.798 1.00 0.00 S ATOM 0 H CYS A 16 5.583 -4.571 0.130 1.00 0.00 H new ATOM 0 HA CYS A 16 3.516 -4.456 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.661 -5.835 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.083 -6.792 -0.813 1.00 0.00 H new ATOM 244 N GLY A 17 1.620 -5.310 -0.689 1.00 0.00 N ATOM 245 CA GLY A 17 0.523 -6.082 -0.145 1.00 0.00 C ATOM 246 C GLY A 17 0.338 -7.319 -1.015 1.00 0.00 C ATOM 247 O GLY A 17 0.784 -7.360 -2.159 1.00 0.00 O ATOM 0 H GLY A 17 1.358 -4.687 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.734 -6.369 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.390 -5.487 -0.130 1.00 0.00 H new ATOM 251 N SER A 18 -0.381 -8.295 -0.476 1.00 0.00 N ATOM 252 CA SER A 18 -0.393 -9.684 -0.913 1.00 0.00 C ATOM 253 C SER A 18 -0.226 -9.973 -2.397 1.00 0.00 C ATOM 254 O SER A 18 0.699 -10.689 -2.781 1.00 0.00 O ATOM 255 CB SER A 18 -1.577 -10.400 -0.260 1.00 0.00 C ATOM 256 OG SER A 18 -2.841 -9.858 -0.625 1.00 0.00 O ATOM 0 H SER A 18 -1.002 -8.131 0.317 1.00 0.00 H new ATOM 0 HA SER A 18 0.546 -10.108 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.550 -11.454 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.469 -10.350 0.823 1.00 0.00 H new ATOM 0 HG SER A 18 -3.217 -10.376 -1.367 1.00 0.00 H new ATOM 262 N ASP A 19 -1.099 -9.425 -3.228 1.00 0.00 N ATOM 263 CA ASP A 19 -1.316 -9.864 -4.599 1.00 0.00 C ATOM 264 C ASP A 19 -0.294 -9.200 -5.538 1.00 0.00 C ATOM 265 O ASP A 19 -0.648 -8.685 -6.599 1.00 0.00 O ATOM 266 CB ASP A 19 -2.793 -9.583 -4.933 1.00 0.00 C ATOM 267 CG ASP A 19 -3.735 -10.460 -4.088 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.644 -10.374 -2.833 1.00 0.00 O ATOM 269 OD2 ASP A 19 -4.514 -11.218 -4.702 1.00 0.00 O ATOM 0 H ASP A 19 -1.693 -8.640 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.146 -10.932 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.015 -8.531 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.971 -9.771 -5.992 1.00 0.00 H new ATOM 274 N GLY A 20 0.974 -9.126 -5.098 1.00 0.00 N ATOM 275 CA GLY A 20 2.017 -8.318 -5.745 1.00 0.00 C ATOM 276 C GLY A 20 1.767 -6.806 -5.604 1.00 0.00 C ATOM 277 O GLY A 20 2.467 -5.978 -6.196 1.00 0.00 O ATOM 0 H GLY A 20 1.305 -9.631 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.985 -8.565 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.068 -8.577 -6.803 1.00 0.00 H new ATOM 281 N ASN A 21 0.731 -6.462 -4.839 1.00 0.00 N ATOM 282 CA ASN A 21 -0.017 -5.234 -4.799 1.00 0.00 C ATOM 283 C ASN A 21 0.817 -4.168 -4.090 1.00 0.00 C ATOM 284 O ASN A 21 0.632 -3.921 -2.902 1.00 0.00 O ATOM 285 CB ASN A 21 -1.372 -5.549 -4.118 1.00 0.00 C ATOM 286 CG ASN A 21 -2.524 -4.682 -4.602 1.00 0.00 C ATOM 287 OD1 ASN A 21 -3.155 -3.962 -3.833 1.00 0.00 O ATOM 288 ND2 ASN A 21 -2.868 -4.790 -5.879 1.00 0.00 N ATOM 0 H ASN A 21 0.364 -7.126 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.233 -4.828 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.620 -6.596 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.264 -5.423 -3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.669 -4.270 -6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.331 -5.393 -6.502 1.00 0.00 H new ATOM 295 N THR A 22 1.829 -3.623 -4.770 1.00 0.00 N ATOM 296 CA THR A 22 2.719 -2.641 -4.178 1.00 0.00 C ATOM 297 C THR A 22 1.949 -1.339 -3.872 1.00 0.00 C ATOM 298 O THR A 22 1.105 -0.916 -4.661 1.00 0.00 O ATOM 299 CB THR A 22 3.992 -2.459 -5.026 1.00 0.00 C ATOM 300 OG1 THR A 22 4.597 -3.734 -5.249 1.00 0.00 O ATOM 301 CG2 THR A 22 5.026 -1.561 -4.318 1.00 0.00 C ATOM 0 H THR A 22 2.047 -3.853 -5.739 1.00 0.00 H new ATOM 0 HA THR A 22 3.081 -3.002 -3.215 1.00 0.00 H new ATOM 0 HB THR A 22 3.698 -1.989 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.235 -4.129 -6.070 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.909 -1.457 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.591 -0.578 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.309 -2.012 -3.367 1.00 0.00 H new ATOM 309 N TYR A 23 2.290 -0.673 -2.762 1.00 0.00 N ATOM 310 CA TYR A 23 1.790 0.616 -2.312 1.00 0.00 C ATOM 311 C TYR A 23 2.984 1.507 -1.964 1.00 0.00 C ATOM 312 O TYR A 23 4.053 1.014 -1.598 1.00 0.00 O ATOM 313 CB TYR A 23 0.914 0.428 -1.065 1.00 0.00 C ATOM 314 CG TYR A 23 -0.427 -0.231 -1.317 1.00 0.00 C ATOM 315 CD1 TYR A 23 -0.518 -1.632 -1.310 1.00 0.00 C ATOM 316 CD2 TYR A 23 -1.577 0.543 -1.575 1.00 0.00 C ATOM 317 CE1 TYR A 23 -1.731 -2.266 -1.615 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.801 -0.086 -1.872 1.00 0.00 C ATOM 319 CZ TYR A 23 -2.875 -1.497 -1.920 1.00 0.00 C ATOM 320 OH TYR A 23 -4.019 -2.122 -2.318 1.00 0.00 O ATOM 0 H TYR A 23 2.975 -1.057 -2.111 1.00 0.00 H new ATOM 0 HA TYR A 23 1.193 1.076 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.465 -0.170 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.743 1.403 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.352 -2.225 -1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.519 1.621 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.790 -3.344 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.682 0.509 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.819 -3.052 -2.553 1.00 0.00 H new ATOM 330 N SER A 24 2.776 2.825 -2.026 1.00 0.00 N ATOM 331 CA SER A 24 3.788 3.853 -1.802 1.00 0.00 C ATOM 332 C SER A 24 4.428 3.806 -0.412 1.00 0.00 C ATOM 333 O SER A 24 5.569 4.231 -0.279 1.00 0.00 O ATOM 334 CB SER A 24 3.171 5.237 -2.037 1.00 0.00 C ATOM 335 OG SER A 24 2.347 5.222 -3.189 1.00 0.00 O ATOM 0 H SER A 24 1.860 3.218 -2.243 1.00 0.00 H new ATOM 0 HA SER A 24 4.590 3.655 -2.513 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.585 5.533 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.961 5.979 -2.157 1.00 0.00 H new ATOM 0 HG SER A 24 1.959 6.112 -3.325 1.00 0.00 H new ATOM 341 N ASN A 25 3.738 3.268 0.599 1.00 0.00 N ATOM 342 CA ASN A 25 4.210 3.055 1.966 1.00 0.00 C ATOM 343 C ASN A 25 3.255 2.059 2.639 1.00 0.00 C ATOM 344 O ASN A 25 2.147 1.860 2.124 1.00 0.00 O ATOM 345 CB ASN A 25 4.327 4.389 2.745 1.00 0.00 C ATOM 346 CG ASN A 25 3.114 5.297 2.710 1.00 0.00 C ATOM 347 OD1 ASN A 25 2.092 4.952 3.282 1.00 0.00 O ATOM 348 ND2 ASN A 25 3.235 6.480 2.124 1.00 0.00 N ATOM 0 H ASN A 25 2.777 2.951 0.474 1.00 0.00 H new ATOM 0 HA ASN A 25 5.218 2.640 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.551 4.158 3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.179 4.942 2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.457 7.140 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.106 6.731 1.656 1.00 0.00 H new ATOM 355 N PRO A 26 3.634 1.416 3.766 1.00 0.00 N ATOM 356 CA PRO A 26 2.762 0.432 4.406 1.00 0.00 C ATOM 357 C PRO A 26 1.504 1.089 4.975 1.00 0.00 C ATOM 358 O PRO A 26 0.466 0.437 5.104 1.00 0.00 O ATOM 359 CB PRO A 26 3.617 -0.276 5.456 1.00 0.00 C ATOM 360 CG PRO A 26 4.731 0.713 5.780 1.00 0.00 C ATOM 361 CD PRO A 26 4.878 1.563 4.521 1.00 0.00 C ATOM 0 HA PRO A 26 2.381 -0.300 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.033 -0.519 6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.019 -1.214 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.476 1.327 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.661 0.197 6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.053 2.608 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 26 5.731 1.233 3.929 1.00 0.00 H new ATOM 369 N CYS A 27 1.566 2.401 5.227 1.00 0.00 N ATOM 370 CA CYS A 27 0.411 3.176 5.615 1.00 0.00 C ATOM 371 C CYS A 27 -0.610 3.276 4.476 1.00 0.00 C ATOM 372 O CYS A 27 -1.799 3.203 4.744 1.00 0.00 O ATOM 373 CB CYS A 27 0.845 4.559 6.102 1.00 0.00 C ATOM 374 SG CYS A 27 -0.224 5.121 7.450 1.00 0.00 S ATOM 0 H CYS A 27 2.427 2.945 5.164 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.085 2.662 6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.880 4.523 6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.805 5.271 5.277 1.00 0.00 H new ATOM 379 N MET A 28 -0.187 3.406 3.214 1.00 0.00 N ATOM 380 CA MET A 28 -1.082 3.444 2.053 1.00 0.00 C ATOM 381 C MET A 28 -1.751 2.084 1.807 1.00 0.00 C ATOM 382 O MET A 28 -2.924 2.045 1.438 1.00 0.00 O ATOM 383 CB MET A 28 -0.325 3.914 0.803 1.00 0.00 C ATOM 384 CG MET A 28 0.000 5.413 0.849 1.00 0.00 C ATOM 385 SD MET A 28 -1.222 6.498 0.071 1.00 0.00 S ATOM 386 CE MET A 28 -1.052 5.936 -1.643 1.00 0.00 C ATOM 0 H MET A 28 0.799 3.489 2.967 1.00 0.00 H new ATOM 0 HA MET A 28 -1.873 4.162 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.601 3.347 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.923 3.701 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.114 5.711 1.891 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.963 5.573 0.365 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.326 6.745 -2.320 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.019 5.642 -1.829 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.708 5.082 -1.813 1.00 0.00 H new ATOM 396 N LEU A 29 -1.039 0.978 2.053 1.00 0.00 N ATOM 397 CA LEU A 29 -1.621 -0.367 2.073 1.00 0.00 C ATOM 398 C LEU A 29 -2.658 -0.436 3.170 1.00 0.00 C ATOM 399 O LEU A 29 -3.835 -0.631 2.898 1.00 0.00 O ATOM 400 CB LEU A 29 -0.501 -1.395 2.259 1.00 0.00 C ATOM 401 CG LEU A 29 -0.714 -2.871 2.528 1.00 0.00 C ATOM 402 CD1 LEU A 29 0.630 -3.585 2.356 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.291 -3.243 3.903 1.00 0.00 C ATOM 0 H LEU A 29 -0.037 0.992 2.245 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.120 -0.594 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.109 -1.340 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.111 -1.026 3.082 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.474 -3.185 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.503 -4.651 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.993 -3.437 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.353 -3.175 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.396 -4.326 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.619 -2.893 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.268 -2.775 4.026 1.00 0.00 H new ATOM 415 N THR A 30 -2.237 -0.283 4.420 1.00 0.00 N ATOM 416 CA THR A 30 -3.180 -0.459 5.521 1.00 0.00 C ATOM 417 C THR A 30 -4.348 0.530 5.401 1.00 0.00 C ATOM 418 O THR A 30 -5.473 0.176 5.757 1.00 0.00 O ATOM 419 CB THR A 30 -2.453 -0.382 6.860 1.00 0.00 C ATOM 420 OG1 THR A 30 -2.993 -1.324 7.764 1.00 0.00 O ATOM 421 CG2 THR A 30 -2.519 1.010 7.457 1.00 0.00 C ATOM 0 H THR A 30 -1.283 -0.046 4.693 1.00 0.00 H new ATOM 0 HA THR A 30 -3.621 -1.454 5.465 1.00 0.00 H new ATOM 0 HB THR A 30 -1.404 -0.616 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.518 -1.267 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.990 1.023 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.054 1.721 6.774 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.561 1.288 7.617 1.00 0.00 H new ATOM 429 N CYS A 31 -4.088 1.734 4.862 1.00 0.00 N ATOM 430 CA CYS A 31 -5.086 2.705 4.510 1.00 0.00 C ATOM 431 C CYS A 31 -6.120 2.008 3.651 1.00 0.00 C ATOM 432 O CYS A 31 -7.210 1.730 4.127 1.00 0.00 O ATOM 433 CB CYS A 31 -4.517 3.919 3.747 1.00 0.00 C ATOM 434 SG CYS A 31 -5.760 4.892 2.832 1.00 0.00 S ATOM 0 H CYS A 31 -3.139 2.049 4.661 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.515 3.099 5.431 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.013 4.574 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.761 3.568 3.045 1.00 0.00 H new ATOM 439 N ALA A 32 -5.735 1.681 2.415 1.00 0.00 N ATOM 440 CA ALA A 32 -6.515 0.949 1.435 1.00 0.00 C ATOM 441 C ALA A 32 -7.288 -0.185 2.081 1.00 0.00 C ATOM 442 O ALA A 32 -8.476 -0.347 1.840 1.00 0.00 O ATOM 443 CB ALA A 32 -5.608 0.436 0.337 1.00 0.00 C ATOM 0 H ALA A 32 -4.815 1.939 2.058 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.247 1.628 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.199 -0.113 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.115 1.277 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.856 -0.226 0.766 1.00 0.00 H new ATOM 449 N LYS A 33 -6.569 -1.023 2.822 1.00 0.00 N ATOM 450 CA LYS A 33 -7.071 -2.201 3.499 1.00 0.00 C ATOM 451 C LYS A 33 -8.322 -1.868 4.283 1.00 0.00 C ATOM 452 O LYS A 33 -9.407 -2.366 3.988 1.00 0.00 O ATOM 453 CB LYS A 33 -5.966 -2.803 4.364 1.00 0.00 C ATOM 454 CG LYS A 33 -6.396 -4.155 4.908 1.00 0.00 C ATOM 455 CD LYS A 33 -5.230 -4.780 5.650 1.00 0.00 C ATOM 456 CE LYS A 33 -5.764 -5.899 6.539 1.00 0.00 C ATOM 457 NZ LYS A 33 -6.550 -5.401 7.693 1.00 0.00 N ATOM 0 H LYS A 33 -5.569 -0.886 2.970 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.359 -2.957 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.055 -2.914 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.733 -2.129 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.249 -4.038 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.716 -4.805 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.499 -5.174 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.719 -4.029 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.389 -6.563 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.927 -6.493 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.287 -5.933 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.351 -4.391 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.564 -5.530 7.504 1.00 0.00 H new ATOM 471 N HIS A 34 -8.146 -1.005 5.274 1.00 0.00 N ATOM 472 CA HIS A 34 -9.206 -0.579 6.156 1.00 0.00 C ATOM 473 C HIS A 34 -10.187 0.375 5.475 1.00 0.00 C ATOM 474 O HIS A 34 -11.302 0.554 5.962 1.00 0.00 O ATOM 475 CB HIS A 34 -8.534 0.057 7.365 1.00 0.00 C ATOM 476 CG HIS A 34 -8.043 -1.021 8.307 1.00 0.00 C ATOM 477 ND1 HIS A 34 -8.789 -1.640 9.285 1.00 0.00 N ATOM 478 CD2 HIS A 34 -6.866 -1.718 8.190 1.00 0.00 C ATOM 479 CE1 HIS A 34 -8.073 -2.681 9.746 1.00 0.00 C ATOM 480 NE2 HIS A 34 -6.904 -2.790 9.091 1.00 0.00 N ATOM 0 H HIS A 34 -7.244 -0.578 5.485 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.816 -1.431 6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.699 0.679 7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.237 0.711 7.881 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.717 -1.360 9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.053 -1.481 7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.395 -3.342 10.537 1.00 0.00 H new ATOM 488 N GLU A 35 -9.775 0.978 4.361 1.00 0.00 N ATOM 489 CA GLU A 35 -10.645 1.832 3.548 1.00 0.00 C ATOM 490 C GLU A 35 -11.658 0.971 2.773 1.00 0.00 C ATOM 491 O GLU A 35 -12.862 1.165 2.921 1.00 0.00 O ATOM 492 CB GLU A 35 -9.805 2.770 2.654 1.00 0.00 C ATOM 493 CG GLU A 35 -10.502 4.056 2.184 1.00 0.00 C ATOM 494 CD GLU A 35 -11.525 3.881 1.056 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.362 2.949 0.241 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.447 4.727 1.018 1.00 0.00 O ATOM 0 H GLU A 35 -8.827 0.889 3.995 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.231 2.486 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.903 3.048 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.486 2.211 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.004 4.509 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.739 4.761 1.852 1.00 0.00 H new ATOM 503 N GLY A 36 -11.185 -0.007 1.993 1.00 0.00 N ATOM 504 CA GLY A 36 -12.003 -0.794 1.078 1.00 0.00 C ATOM 505 C GLY A 36 -11.329 -2.063 0.541 1.00 0.00 C ATOM 506 O GLY A 36 -11.816 -2.614 -0.444 1.00 0.00 O ATOM 0 H GLY A 36 -10.201 -0.275 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.924 -1.077 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.286 -0.165 0.234 1.00 0.00 H new ATOM 510 N ASN A 37 -10.239 -2.548 1.156 1.00 0.00 N ATOM 511 CA ASN A 37 -9.535 -3.771 0.754 1.00 0.00 C ATOM 512 C ASN A 37 -9.408 -4.690 1.979 1.00 0.00 C ATOM 513 O ASN A 37 -8.290 -5.012 2.350 1.00 0.00 O ATOM 514 CB ASN A 37 -8.149 -3.425 0.121 1.00 0.00 C ATOM 515 CG ASN A 37 -7.673 -4.433 -0.915 1.00 0.00 C ATOM 516 OD1 ASN A 37 -8.194 -5.533 -1.029 1.00 0.00 O ATOM 517 ND2 ASN A 37 -6.632 -4.088 -1.666 1.00 0.00 N ATOM 0 H ASN A 37 -9.816 -2.090 1.963 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.100 -4.298 -0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.209 -2.441 -0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.405 -3.357 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.256 -4.745 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.209 -3.166 -1.559 1.00 0.00 H new ATOM 524 N PRO A 38 -10.479 -5.123 2.673 1.00 0.00 N ATOM 525 CA PRO A 38 -10.331 -5.829 3.956 1.00 0.00 C ATOM 526 C PRO A 38 -9.500 -7.122 3.832 1.00 0.00 C ATOM 527 O PRO A 38 -8.882 -7.562 4.800 1.00 0.00 O ATOM 528 CB PRO A 38 -11.760 -6.083 4.446 1.00 0.00 C ATOM 529 CG PRO A 38 -12.601 -6.047 3.168 1.00 0.00 C ATOM 530 CD PRO A 38 -11.876 -5.028 2.289 1.00 0.00 C ATOM 0 HA PRO A 38 -9.769 -5.233 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.844 -7.045 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.080 -5.321 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.648 -7.026 2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.627 -5.742 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.010 -5.254 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.262 -4.022 2.452 1.00 0.00 H new ATOM 538 N ASP A 39 -9.455 -7.653 2.610 1.00 0.00 N ATOM 539 CA ASP A 39 -8.703 -8.764 2.051 1.00 0.00 C ATOM 540 C ASP A 39 -7.182 -8.572 2.039 1.00 0.00 C ATOM 541 O ASP A 39 -6.438 -9.550 2.109 1.00 0.00 O ATOM 542 CB ASP A 39 -9.154 -8.831 0.588 1.00 0.00 C ATOM 543 CG ASP A 39 -10.611 -9.272 0.455 1.00 0.00 C ATOM 544 OD1 ASP A 39 -11.473 -8.378 0.626 1.00 0.00 O ATOM 545 OD2 ASP A 39 -10.843 -10.480 0.229 1.00 0.00 O ATOM 0 H ASP A 39 -10.040 -7.243 1.882 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.892 -9.650 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.028 -7.852 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.514 -9.526 0.043 1.00 0.00 H new ATOM 550 N LEU A 40 -6.721 -7.327 1.889 1.00 0.00 N ATOM 551 CA LEU A 40 -5.311 -6.957 1.796 1.00 0.00 C ATOM 552 C LEU A 40 -4.642 -7.266 3.124 1.00 0.00 C ATOM 553 O LEU A 40 -5.294 -7.320 4.161 1.00 0.00 O ATOM 554 CB LEU A 40 -5.238 -5.469 1.376 1.00 0.00 C ATOM 555 CG LEU A 40 -4.018 -4.609 1.712 1.00 0.00 C ATOM 556 CD1 LEU A 40 -2.686 -5.130 1.205 1.00 0.00 C ATOM 557 CD2 LEU A 40 -4.144 -3.154 1.213 1.00 0.00 C ATOM 0 H LEU A 40 -7.344 -6.522 1.827 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.770 -7.528 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.361 -5.438 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.106 -4.973 1.810 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.016 -4.655 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.891 -4.444 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.493 -6.114 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.715 -5.207 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.246 -2.598 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.261 -3.150 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.014 -2.685 1.674 1.00 0.00 H new ATOM 569 N VAL A 41 -3.326 -7.455 3.093 1.00 0.00 N ATOM 570 CA VAL A 41 -2.477 -7.696 4.240 1.00 0.00 C ATOM 571 C VAL A 41 -1.069 -7.194 3.943 1.00 0.00 C ATOM 572 O VAL A 41 -0.636 -7.179 2.785 1.00 0.00 O ATOM 573 CB VAL A 41 -2.431 -9.201 4.542 1.00 0.00 C ATOM 574 CG1 VAL A 41 -3.782 -9.738 4.991 1.00 0.00 C ATOM 575 CG2 VAL A 41 -1.974 -10.041 3.347 1.00 0.00 C ATOM 0 H VAL A 41 -2.802 -7.442 2.218 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.878 -7.167 5.104 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.701 -9.293 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.700 -10.806 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.096 -9.220 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.519 -9.573 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.963 -11.095 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.661 -9.893 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.971 -9.734 3.049 1.00 0.00 H new ATOM 585 N GLN A 42 -0.327 -6.870 5.004 1.00 0.00 N ATOM 586 CA GLN A 42 1.112 -6.721 4.932 1.00 0.00 C ATOM 587 C GLN A 42 1.711 -8.130 4.819 1.00 0.00 C ATOM 588 O GLN A 42 2.058 -8.740 5.827 1.00 0.00 O ATOM 589 CB GLN A 42 1.623 -5.949 6.163 1.00 0.00 C ATOM 590 CG GLN A 42 3.041 -5.393 5.947 1.00 0.00 C ATOM 591 CD GLN A 42 3.011 -4.132 5.086 1.00 0.00 C ATOM 592 OE1 GLN A 42 2.390 -3.140 5.448 1.00 0.00 O ATOM 593 NE2 GLN A 42 3.643 -4.135 3.922 1.00 0.00 N ATOM 0 H GLN A 42 -0.715 -6.705 5.933 1.00 0.00 H new ATOM 0 HA GLN A 42 1.417 -6.138 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.941 -5.128 6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.620 -6.608 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.498 -5.168 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.663 -6.149 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.159 -4.963 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.614 -3.309 3.324 1.00 0.00 H new ATOM 602 N VAL A 43 1.827 -8.650 3.592 1.00 0.00 N ATOM 603 CA VAL A 43 2.605 -9.851 3.304 1.00 0.00 C ATOM 604 C VAL A 43 4.032 -9.701 3.825 1.00 0.00 C ATOM 605 O VAL A 43 4.551 -10.593 4.493 1.00 0.00 O ATOM 606 CB VAL A 43 2.622 -10.241 1.814 1.00 0.00 C ATOM 607 CG1 VAL A 43 1.417 -11.114 1.495 1.00 0.00 C ATOM 608 CG2 VAL A 43 2.585 -9.019 0.881 1.00 0.00 C ATOM 0 H VAL A 43 1.380 -8.244 2.770 1.00 0.00 H new ATOM 0 HA VAL A 43 2.102 -10.665 3.826 1.00 0.00 H new ATOM 0 HB VAL A 43 3.556 -10.776 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.434 -11.387 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.451 -12.017 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.501 -10.564 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.599 -9.353 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.676 -8.447 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.454 -8.390 1.071 1.00 0.00 H new ATOM 618 N HIS A 44 4.653 -8.564 3.504 1.00 0.00 N ATOM 619 CA HIS A 44 5.976 -8.163 3.934 1.00 0.00 C ATOM 620 C HIS A 44 6.099 -6.654 3.702 1.00 0.00 C ATOM 621 O HIS A 44 5.286 -6.076 2.980 1.00 0.00 O ATOM 622 CB HIS A 44 7.021 -8.962 3.142 1.00 0.00 C ATOM 623 CG HIS A 44 7.016 -8.746 1.647 1.00 0.00 C ATOM 624 ND1 HIS A 44 7.691 -7.756 0.971 1.00 0.00 N ATOM 625 CD2 HIS A 44 6.404 -9.540 0.715 1.00 0.00 C ATOM 626 CE1 HIS A 44 7.494 -7.952 -0.342 1.00 0.00 C ATOM 627 NE2 HIS A 44 6.709 -9.023 -0.546 1.00 0.00 N ATOM 0 H HIS A 44 4.214 -7.866 2.903 1.00 0.00 H new ATOM 0 HA HIS A 44 6.144 -8.369 4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 44 8.010 -8.709 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.865 -10.023 3.338 1.00 0.00 H new ATOM 0 HD1 HIS A 44 8.242 -7.008 1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.796 -10.409 0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.909 -7.335 -1.125 1.00 0.00 H new ATOM 635 N GLU A 45 7.093 -5.999 4.303 1.00 0.00 N ATOM 636 CA GLU A 45 7.486 -4.633 3.954 1.00 0.00 C ATOM 637 C GLU A 45 8.450 -4.721 2.750 1.00 0.00 C ATOM 638 O GLU A 45 8.950 -5.805 2.435 1.00 0.00 O ATOM 639 CB GLU A 45 8.140 -3.991 5.191 1.00 0.00 C ATOM 640 CG GLU A 45 8.183 -2.461 5.102 1.00 0.00 C ATOM 641 CD GLU A 45 8.664 -1.827 6.408 1.00 0.00 C ATOM 642 OE1 GLU A 45 9.862 -1.999 6.722 1.00 0.00 O ATOM 643 OE2 GLU A 45 7.824 -1.175 7.067 1.00 0.00 O ATOM 0 H GLU A 45 7.653 -6.405 5.052 1.00 0.00 H new ATOM 0 HA GLU A 45 6.638 -4.010 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.588 -4.285 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.154 -4.374 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.845 -2.163 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.190 -2.083 4.859 1.00 0.00 H new ATOM 650 N GLY A 46 8.726 -3.605 2.068 1.00 0.00 N ATOM 651 CA GLY A 46 9.466 -3.591 0.805 1.00 0.00 C ATOM 652 C GLY A 46 8.587 -4.068 -0.365 1.00 0.00 C ATOM 653 O GLY A 46 7.629 -4.816 -0.149 1.00 0.00 O ATOM 0 H GLY A 46 8.439 -2.678 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.827 -2.582 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.343 -4.232 0.888 1.00 0.00 H new ATOM 657 N PRO A 47 8.824 -3.585 -1.598 1.00 0.00 N ATOM 658 CA PRO A 47 7.880 -3.747 -2.701 1.00 0.00 C ATOM 659 C PRO A 47 8.016 -5.104 -3.400 1.00 0.00 C ATOM 660 O PRO A 47 9.076 -5.725 -3.356 1.00 0.00 O ATOM 661 CB PRO A 47 8.233 -2.606 -3.653 1.00 0.00 C ATOM 662 CG PRO A 47 9.747 -2.474 -3.495 1.00 0.00 C ATOM 663 CD PRO A 47 9.933 -2.727 -1.998 1.00 0.00 C ATOM 0 HA PRO A 47 6.847 -3.718 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.954 -2.839 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.718 -1.684 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.286 -3.202 -4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.104 -1.487 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.891 -3.208 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.924 -1.791 -1.439 1.00 0.00 H new ATOM 671 N CYS A 48 6.947 -5.542 -4.082 1.00 0.00 N ATOM 672 CA CYS A 48 7.031 -6.641 -5.041 1.00 0.00 C ATOM 673 C CYS A 48 7.457 -6.126 -6.415 1.00 0.00 C ATOM 674 O CYS A 48 8.227 -6.798 -7.097 1.00 0.00 O ATOM 675 CB CYS A 48 5.699 -7.380 -5.162 1.00 0.00 C ATOM 676 SG CYS A 48 5.241 -8.365 -3.714 1.00 0.00 S ATOM 0 H CYS A 48 6.012 -5.146 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 48 7.781 -7.339 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.911 -6.651 -5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.742 -8.036 -6.031 1.00 0.00 H new ATOM 681 N ASP A 49 6.962 -4.950 -6.829 1.00 0.00 N ATOM 682 CA ASP A 49 7.468 -4.256 -7.994 1.00 0.00 C ATOM 683 C ASP A 49 8.934 -3.886 -7.764 1.00 0.00 C ATOM 684 O ASP A 49 9.275 -3.253 -6.762 1.00 0.00 O ATOM 685 CB ASP A 49 6.613 -3.024 -8.333 1.00 0.00 C ATOM 686 CG ASP A 49 7.302 -2.081 -9.337 1.00 0.00 C ATOM 687 OD1 ASP A 49 7.799 -2.551 -10.384 1.00 0.00 O ATOM 688 OD2 ASP A 49 7.393 -0.874 -9.003 1.00 0.00 O ATOM 0 H ASP A 49 6.200 -4.464 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 49 7.406 -4.918 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.658 -3.351 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.394 -2.475 -7.417 1.00 0.00 H new ATOM 693 N GLU A 50 9.781 -4.241 -8.723 1.00 0.00 N ATOM 694 CA GLU A 50 11.130 -3.747 -8.898 1.00 0.00 C ATOM 695 C GLU A 50 11.407 -3.904 -10.395 1.00 0.00 C ATOM 696 O GLU A 50 10.853 -4.793 -11.048 1.00 0.00 O ATOM 697 CB GLU A 50 12.117 -4.538 -8.015 1.00 0.00 C ATOM 698 CG GLU A 50 13.594 -4.141 -8.182 1.00 0.00 C ATOM 699 CD GLU A 50 13.856 -2.649 -7.943 1.00 0.00 C ATOM 700 OE1 GLU A 50 13.528 -1.859 -8.853 1.00 0.00 O ATOM 701 OE2 GLU A 50 14.411 -2.303 -6.878 1.00 0.00 O ATOM 0 H GLU A 50 9.524 -4.921 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 50 11.251 -2.709 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.835 -4.404 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.013 -5.600 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.200 -4.724 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.921 -4.403 -9.188 1.00 0.00 H new ATOM 708 N HIS A 51 12.222 -3.005 -10.938 1.00 0.00 N ATOM 709 CA HIS A 51 12.517 -2.889 -12.355 1.00 0.00 C ATOM 710 C HIS A 51 13.916 -2.296 -12.528 1.00 0.00 C ATOM 711 O HIS A 51 14.726 -2.889 -13.238 1.00 0.00 O ATOM 712 CB HIS A 51 11.406 -2.090 -13.066 1.00 0.00 C ATOM 713 CG HIS A 51 10.837 -0.914 -12.301 1.00 0.00 C ATOM 714 ND1 HIS A 51 9.713 -0.928 -11.492 1.00 0.00 N ATOM 715 CD2 HIS A 51 11.323 0.368 -12.312 1.00 0.00 C ATOM 716 CE1 HIS A 51 9.537 0.324 -11.039 1.00 0.00 C ATOM 717 NE2 HIS A 51 10.481 1.149 -11.514 1.00 0.00 N ATOM 0 H HIS A 51 12.714 -2.310 -10.376 1.00 0.00 H new ATOM 0 HA HIS A 51 12.527 -3.869 -12.832 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.800 -1.724 -14.014 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.590 -2.773 -13.302 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.129 -1.737 -11.280 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.199 0.713 -12.842 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.739 0.627 -10.378 1.00 0.00 H new ATOM 725 N ASP A 52 14.225 -1.211 -11.806 1.00 0.00 N ATOM 726 CA ASP A 52 15.556 -0.677 -11.541 1.00 0.00 C ATOM 727 C ASP A 52 15.402 0.473 -10.540 1.00 0.00 C ATOM 728 O ASP A 52 14.301 0.988 -10.338 1.00 0.00 O ATOM 729 CB ASP A 52 16.293 -0.190 -12.812 1.00 0.00 C ATOM 730 CG ASP A 52 16.048 1.281 -13.163 1.00 0.00 C ATOM 731 OD1 ASP A 52 16.841 2.113 -12.662 1.00 0.00 O ATOM 732 OD2 ASP A 52 15.103 1.546 -13.939 1.00 0.00 O ATOM 0 H ASP A 52 13.498 -0.649 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 52 16.173 -1.480 -11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 52 17.364 -0.345 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.984 -0.808 -13.655 1.00 0.00 H new ATOM 737 N HIS A 53 16.521 0.880 -9.935 1.00 0.00 N ATOM 738 CA HIS A 53 16.636 2.050 -9.074 1.00 0.00 C ATOM 739 C HIS A 53 18.026 2.683 -9.269 1.00 0.00 C ATOM 740 O HIS A 53 18.676 3.073 -8.301 1.00 0.00 O ATOM 741 CB HIS A 53 16.310 1.652 -7.617 1.00 0.00 C ATOM 742 CG HIS A 53 17.094 0.485 -7.051 1.00 0.00 C ATOM 743 ND1 HIS A 53 16.607 -0.783 -6.810 1.00 0.00 N ATOM 744 CD2 HIS A 53 18.393 0.508 -6.613 1.00 0.00 C ATOM 745 CE1 HIS A 53 17.596 -1.503 -6.259 1.00 0.00 C ATOM 746 NE2 HIS A 53 18.706 -0.763 -6.118 1.00 0.00 N ATOM 0 H HIS A 53 17.404 0.381 -10.039 1.00 0.00 H new ATOM 0 HA HIS A 53 15.911 2.819 -9.341 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.478 2.520 -6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 53 15.248 1.413 -7.556 1.00 0.00 H new ATOM 0 HD1 HIS A 53 15.664 -1.114 -7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 53 19.058 1.358 -6.644 1.00 0.00 H new ATOM 0 HE1 HIS A 53 17.510 -2.539 -5.968 1.00 0.00 H new ATOM 754 N ASP A 54 18.523 2.699 -10.515 1.00 0.00 N ATOM 755 CA ASP A 54 19.890 3.113 -10.842 1.00 0.00 C ATOM 756 C ASP A 54 20.118 4.596 -10.530 1.00 0.00 C ATOM 757 O ASP A 54 21.118 4.952 -9.904 1.00 0.00 O ATOM 758 CB ASP A 54 20.170 2.808 -12.321 1.00 0.00 C ATOM 759 CG ASP A 54 21.617 3.114 -12.711 1.00 0.00 C ATOM 760 OD1 ASP A 54 22.509 2.391 -12.212 1.00 0.00 O ATOM 761 OD2 ASP A 54 21.813 4.033 -13.538 1.00 0.00 O ATOM 0 H ASP A 54 17.978 2.421 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 54 20.587 2.550 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 54 19.956 1.758 -12.520 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.496 3.395 -12.945 1.00 0.00 H new ATOM 766 N PHE A 55 19.193 5.452 -10.976 1.00 0.00 N ATOM 767 CA PHE A 55 19.048 6.840 -10.550 1.00 0.00 C ATOM 768 C PHE A 55 17.982 6.928 -9.458 1.00 0.00 C ATOM 769 O PHE A 55 18.152 7.788 -8.568 1.00 0.00 O ATOM 770 CB PHE A 55 18.723 7.738 -11.753 1.00 0.00 C ATOM 771 CG PHE A 55 19.930 8.066 -12.618 1.00 0.00 C ATOM 772 CD1 PHE A 55 20.524 7.075 -13.424 1.00 0.00 C ATOM 773 CD2 PHE A 55 20.486 9.360 -12.594 1.00 0.00 C ATOM 774 CE1 PHE A 55 21.663 7.372 -14.191 1.00 0.00 C ATOM 775 CE2 PHE A 55 21.621 9.662 -13.371 1.00 0.00 C ATOM 776 CZ PHE A 55 22.212 8.666 -14.169 1.00 0.00 C ATOM 777 OXT PHE A 55 16.987 6.175 -9.568 1.00 0.00 O ATOM 0 H PHE A 55 18.498 5.182 -11.672 1.00 0.00 H new ATOM 0 HA PHE A 55 19.988 7.199 -10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 55 17.970 7.246 -12.368 1.00 0.00 H new ATOM 0 HB3 PHE A 55 18.283 8.668 -11.392 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.101 6.081 -13.452 1.00 0.00 H new ATOM 0 HD2 PHE A 55 20.039 10.125 -11.976 1.00 0.00 H new ATOM 0 HE1 PHE A 55 22.118 6.604 -14.799 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.038 10.658 -13.354 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.085 8.895 -14.763 1.00 0.00 H new TER 787 PHE A 55