USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 17 ASN : amide:sc= -0.0533 X(o=-1.3,f=-1.4!) USER MOD Set 1.2: A 20 HIS : no HD1:sc= -1.21 K(o=-1.3,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.981) USER MOD Single : A 7 THR OG1 : rot 160:sc= 0.558 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.421 (180deg=0.362) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.736 K(o=-0.74,f=-3.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc=-0.00907 (180deg=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0518 (180deg=-0.389) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0227 (180deg=-0.222) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.298 -17.813 10.950 1.00 0.00 N ATOM 2 CA GLY A 1 -2.166 -17.137 11.602 1.00 0.00 C ATOM 3 C GLY A 1 -2.628 -16.071 12.566 1.00 0.00 C ATOM 4 O GLY A 1 -2.971 -14.960 12.158 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.940 -18.538 10.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.896 -18.263 11.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.860 -17.116 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.562 -17.872 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.525 -16.688 10.843 1.00 0.00 H new ATOM 10 N SER A 2 -2.632 -16.402 13.848 1.00 0.00 N ATOM 11 CA SER A 2 -3.079 -15.480 14.878 1.00 0.00 C ATOM 12 C SER A 2 -2.091 -14.325 15.056 1.00 0.00 C ATOM 13 O SER A 2 -2.466 -13.242 15.497 1.00 0.00 O ATOM 14 CB SER A 2 -3.271 -16.223 16.199 1.00 0.00 C ATOM 15 OG SER A 2 -4.120 -17.353 16.029 1.00 0.00 O ATOM 0 H SER A 2 -2.328 -17.310 14.201 1.00 0.00 H new ATOM 0 HA SER A 2 -4.034 -15.058 14.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.303 -16.545 16.583 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.700 -15.549 16.941 1.00 0.00 H new ATOM 0 HG SER A 2 -4.227 -17.814 16.887 1.00 0.00 H new ATOM 21 N VAL A 3 -0.834 -14.555 14.700 1.00 0.00 N ATOM 22 CA VAL A 3 0.186 -13.518 14.814 1.00 0.00 C ATOM 23 C VAL A 3 0.215 -12.659 13.545 1.00 0.00 C ATOM 24 O VAL A 3 0.571 -11.481 13.586 1.00 0.00 O ATOM 25 CB VAL A 3 1.594 -14.126 15.092 1.00 0.00 C ATOM 26 CG1 VAL A 3 2.040 -15.035 13.957 1.00 0.00 C ATOM 27 CG2 VAL A 3 2.625 -13.030 15.344 1.00 0.00 C ATOM 0 H VAL A 3 -0.496 -15.444 14.332 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.075 -12.887 15.664 1.00 0.00 H new ATOM 0 HB VAL A 3 1.516 -14.733 15.994 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.026 -15.442 14.183 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.327 -15.852 13.843 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.087 -14.463 13.030 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.598 -13.483 15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.691 -12.384 14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.324 -12.439 16.209 1.00 0.00 H new ATOM 37 N GLU A 4 -0.183 -13.268 12.426 1.00 0.00 N ATOM 38 CA GLU A 4 -0.236 -12.580 11.145 1.00 0.00 C ATOM 39 C GLU A 4 -1.121 -11.355 11.237 1.00 0.00 C ATOM 40 O GLU A 4 -0.647 -10.235 10.998 1.00 0.00 O ATOM 41 CB GLU A 4 -0.692 -13.526 10.018 1.00 0.00 C ATOM 42 CG GLU A 4 0.170 -14.771 9.873 1.00 0.00 C ATOM 43 CD GLU A 4 1.631 -14.458 9.624 1.00 0.00 C ATOM 44 OE1 GLU A 4 2.440 -14.586 10.565 1.00 0.00 O ATOM 45 OE2 GLU A 4 1.984 -14.100 8.479 1.00 0.00 O ATOM 0 H GLU A 4 -0.475 -14.245 12.387 1.00 0.00 H new ATOM 0 HA GLU A 4 0.772 -12.248 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.722 -13.829 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.687 -12.980 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.083 -15.373 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.211 -15.375 9.050 1.00 0.00 H new ATOM 52 N LYS A 5 -2.409 -11.549 11.575 1.00 0.00 N ATOM 53 CA LYS A 5 -3.320 -10.429 11.735 1.00 0.00 C ATOM 54 C LYS A 5 -3.352 -9.651 10.422 1.00 0.00 C ATOM 55 O LYS A 5 -3.120 -8.435 10.400 1.00 0.00 O ATOM 56 CB LYS A 5 -2.867 -9.523 12.895 1.00 0.00 C ATOM 57 CG LYS A 5 -2.659 -10.265 14.207 1.00 0.00 C ATOM 58 CD LYS A 5 -2.243 -9.322 15.321 1.00 0.00 C ATOM 59 CE LYS A 5 -1.794 -10.085 16.558 1.00 0.00 C ATOM 60 NZ LYS A 5 -2.833 -11.028 17.045 1.00 0.00 N ATOM 0 H LYS A 5 -2.827 -12.465 11.738 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.319 -10.792 11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.936 -9.029 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.611 -8.740 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.580 -10.776 14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.896 -11.032 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.433 -8.681 14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.078 -8.669 15.578 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.882 -10.638 16.331 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.549 -9.377 17.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.815 -11.058 18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.769 -10.709 16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.643 -11.979 16.668 1.00 0.00 H new ATOM 74 N LEU A 6 -3.584 -10.400 9.316 1.00 0.00 N ATOM 75 CA LEU A 6 -3.611 -9.876 7.953 1.00 0.00 C ATOM 76 C LEU A 6 -2.224 -9.817 7.327 1.00 0.00 C ATOM 77 O LEU A 6 -2.027 -10.308 6.216 1.00 0.00 O ATOM 78 CB LEU A 6 -4.321 -8.514 7.839 1.00 0.00 C ATOM 79 CG LEU A 6 -5.818 -8.510 8.156 1.00 0.00 C ATOM 80 CD1 LEU A 6 -6.417 -7.142 7.878 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.538 -9.584 7.355 1.00 0.00 C ATOM 0 H LEU A 6 -3.760 -11.404 9.361 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.205 -10.592 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.826 -7.811 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.183 -8.138 6.825 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.946 -8.732 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.482 -7.157 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.922 -6.395 8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.277 -6.890 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.601 -9.565 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.402 -9.396 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.127 -10.562 7.606 1.00 0.00 H new ATOM 93 N THR A 7 -1.259 -9.224 8.018 1.00 0.00 N ATOM 94 CA THR A 7 0.022 -9.072 7.447 1.00 0.00 C ATOM 95 C THR A 7 1.134 -8.993 8.541 1.00 0.00 C ATOM 96 O THR A 7 1.272 -7.971 9.219 1.00 0.00 O ATOM 97 CB THR A 7 0.082 -7.814 6.531 1.00 0.00 C ATOM 98 OG1 THR A 7 1.407 -7.634 6.018 1.00 0.00 O ATOM 99 CG2 THR A 7 -0.371 -6.556 7.265 1.00 0.00 C ATOM 0 H THR A 7 -1.362 -8.853 8.962 1.00 0.00 H new ATOM 0 HA THR A 7 0.208 -9.957 6.838 1.00 0.00 H new ATOM 0 HB THR A 7 -0.606 -7.980 5.702 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.375 -7.065 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.314 -5.701 6.591 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.399 -6.683 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.276 -6.384 8.125 1.00 0.00 H new ATOM 107 N ALA A 8 1.896 -10.051 8.733 1.00 0.00 N ATOM 108 CA ALA A 8 3.081 -9.973 9.596 1.00 0.00 C ATOM 109 C ALA A 8 4.257 -9.501 8.757 1.00 0.00 C ATOM 110 O ALA A 8 5.264 -9.001 9.266 1.00 0.00 O ATOM 111 CB ALA A 8 3.393 -11.317 10.243 1.00 0.00 C ATOM 0 H ALA A 8 1.729 -10.966 8.315 1.00 0.00 H new ATOM 0 HA ALA A 8 2.887 -9.268 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.276 -11.221 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.545 -11.634 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.581 -12.059 9.467 1.00 0.00 H new ATOM 117 N ASP A 9 4.082 -9.642 7.453 1.00 0.00 N ATOM 118 CA ASP A 9 5.066 -9.239 6.457 1.00 0.00 C ATOM 119 C ASP A 9 5.292 -7.730 6.525 1.00 0.00 C ATOM 120 O ASP A 9 6.424 -7.253 6.491 1.00 0.00 O ATOM 121 CB ASP A 9 4.588 -9.641 5.050 1.00 0.00 C ATOM 122 CG ASP A 9 5.584 -9.304 3.967 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.430 -10.163 3.645 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.514 -8.184 3.415 1.00 0.00 O ATOM 0 H ASP A 9 3.238 -10.047 7.048 1.00 0.00 H new ATOM 0 HA ASP A 9 6.008 -9.745 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.390 -10.713 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.644 -9.139 4.836 1.00 0.00 H new ATOM 129 N ALA A 10 4.203 -6.987 6.628 1.00 0.00 N ATOM 130 CA ALA A 10 4.262 -5.520 6.734 1.00 0.00 C ATOM 131 C ALA A 10 5.047 -5.068 7.960 1.00 0.00 C ATOM 132 O ALA A 10 5.697 -4.021 7.936 1.00 0.00 O ATOM 133 CB ALA A 10 2.861 -4.914 6.771 1.00 0.00 C ATOM 0 H ALA A 10 3.257 -7.369 6.641 1.00 0.00 H new ATOM 0 HA ALA A 10 4.782 -5.164 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.936 -3.829 6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.327 -5.176 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.319 -5.304 7.632 1.00 0.00 H new ATOM 139 N GLU A 11 5.021 -5.864 9.018 1.00 0.00 N ATOM 140 CA GLU A 11 5.701 -5.487 10.251 1.00 0.00 C ATOM 141 C GLU A 11 7.195 -5.730 10.113 1.00 0.00 C ATOM 142 O GLU A 11 8.014 -4.899 10.511 1.00 0.00 O ATOM 143 CB GLU A 11 5.132 -6.252 11.453 1.00 0.00 C ATOM 144 CG GLU A 11 5.681 -5.788 12.786 1.00 0.00 C ATOM 145 CD GLU A 11 5.001 -6.454 13.954 1.00 0.00 C ATOM 146 OE1 GLU A 11 5.470 -7.522 14.390 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.993 -5.909 14.446 1.00 0.00 O ATOM 0 H GLU A 11 4.543 -6.765 9.050 1.00 0.00 H new ATOM 0 HA GLU A 11 5.532 -4.425 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.047 -6.145 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.347 -7.314 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.750 -5.995 12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.562 -4.708 12.868 1.00 0.00 H new ATOM 154 N LEU A 12 7.540 -6.867 9.521 1.00 0.00 N ATOM 155 CA LEU A 12 8.941 -7.198 9.278 1.00 0.00 C ATOM 156 C LEU A 12 9.543 -6.220 8.266 1.00 0.00 C ATOM 157 O LEU A 12 10.740 -5.946 8.285 1.00 0.00 O ATOM 158 CB LEU A 12 9.132 -8.686 8.849 1.00 0.00 C ATOM 159 CG LEU A 12 8.474 -9.159 7.532 1.00 0.00 C ATOM 160 CD1 LEU A 12 9.285 -8.744 6.316 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.276 -10.666 7.548 1.00 0.00 C ATOM 0 H LEU A 12 6.875 -7.572 9.202 1.00 0.00 H new ATOM 0 HA LEU A 12 9.483 -7.091 10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.203 -8.875 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.754 -9.316 9.654 1.00 0.00 H new ATOM 0 HG LEU A 12 7.500 -8.675 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.789 -9.095 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.367 -7.657 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.282 -9.181 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.812 -10.982 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.242 -11.159 7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.632 -10.939 8.384 1.00 0.00 H new ATOM 173 N GLN A 13 8.686 -5.680 7.397 1.00 0.00 N ATOM 174 CA GLN A 13 9.111 -4.684 6.411 1.00 0.00 C ATOM 175 C GLN A 13 9.444 -3.371 7.106 1.00 0.00 C ATOM 176 O GLN A 13 10.486 -2.763 6.848 1.00 0.00 O ATOM 177 CB GLN A 13 8.025 -4.446 5.352 1.00 0.00 C ATOM 178 CG GLN A 13 8.400 -3.391 4.323 1.00 0.00 C ATOM 179 CD GLN A 13 7.298 -3.139 3.320 1.00 0.00 C ATOM 180 OE1 GLN A 13 7.243 -3.776 2.268 1.00 0.00 O ATOM 181 NE2 GLN A 13 6.419 -2.213 3.632 1.00 0.00 N ATOM 0 H GLN A 13 7.694 -5.915 7.356 1.00 0.00 H new ATOM 0 HA GLN A 13 9.999 -5.069 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.818 -5.385 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.103 -4.145 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.640 -2.459 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.300 -3.707 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.501 -1.708 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.655 -1.999 2.992 1.00 0.00 H new ATOM 190 N ARG A 14 8.553 -2.940 7.993 1.00 0.00 N ATOM 191 CA ARG A 14 8.761 -1.705 8.749 1.00 0.00 C ATOM 192 C ARG A 14 10.022 -1.835 9.596 1.00 0.00 C ATOM 193 O ARG A 14 10.838 -0.920 9.654 1.00 0.00 O ATOM 194 CB ARG A 14 7.526 -1.381 9.637 1.00 0.00 C ATOM 195 CG ARG A 14 7.542 0.005 10.302 1.00 0.00 C ATOM 196 CD ARG A 14 8.449 0.055 11.527 1.00 0.00 C ATOM 197 NE ARG A 14 8.057 -0.933 12.535 1.00 0.00 N ATOM 198 CZ ARG A 14 8.730 -1.175 13.662 1.00 0.00 C ATOM 199 NH1 ARG A 14 9.812 -0.461 13.970 1.00 0.00 N ATOM 200 NH2 ARG A 14 8.302 -2.118 14.496 1.00 0.00 N ATOM 0 H ARG A 14 7.681 -3.424 8.207 1.00 0.00 H new ATOM 0 HA ARG A 14 8.886 -0.878 8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.628 -1.462 9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.450 -2.139 10.416 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.874 0.748 9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.527 0.276 10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.480 -0.125 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.415 1.053 11.964 1.00 0.00 H new ATOM 0 HE ARG A 14 7.210 -1.474 12.363 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.132 0.277 13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.321 -0.652 14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.463 -2.653 14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.813 -2.306 15.358 1.00 0.00 H new ATOM 214 N LEU A 15 10.178 -2.989 10.228 1.00 0.00 N ATOM 215 CA LEU A 15 11.342 -3.262 11.059 1.00 0.00 C ATOM 216 C LEU A 15 12.622 -3.237 10.217 1.00 0.00 C ATOM 217 O LEU A 15 13.659 -2.735 10.656 1.00 0.00 O ATOM 218 CB LEU A 15 11.179 -4.616 11.758 1.00 0.00 C ATOM 219 CG LEU A 15 12.292 -5.018 12.722 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.423 -4.003 13.851 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.022 -6.403 13.282 1.00 0.00 C ATOM 0 H LEU A 15 9.508 -3.757 10.180 1.00 0.00 H new ATOM 0 HA LEU A 15 11.423 -2.484 11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.238 -4.606 12.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.094 -5.388 10.993 1.00 0.00 H new ATOM 0 HG LEU A 15 13.234 -5.038 12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.222 -4.310 14.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.656 -3.023 13.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.484 -3.948 14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.822 -6.680 13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.071 -6.401 13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.979 -7.124 12.465 1.00 0.00 H new ATOM 233 N LYS A 16 12.533 -3.769 9.005 1.00 0.00 N ATOM 234 CA LYS A 16 13.667 -3.785 8.073 1.00 0.00 C ATOM 235 C LYS A 16 14.115 -2.358 7.735 1.00 0.00 C ATOM 236 O LYS A 16 15.317 -2.070 7.657 1.00 0.00 O ATOM 237 CB LYS A 16 13.305 -4.549 6.786 1.00 0.00 C ATOM 238 CG LYS A 16 14.414 -4.597 5.751 1.00 0.00 C ATOM 239 CD LYS A 16 13.983 -5.387 4.529 1.00 0.00 C ATOM 240 CE LYS A 16 15.032 -5.339 3.434 1.00 0.00 C ATOM 241 NZ LYS A 16 14.645 -6.158 2.258 1.00 0.00 N ATOM 0 H LYS A 16 11.684 -4.199 8.637 1.00 0.00 H new ATOM 0 HA LYS A 16 14.495 -4.300 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.027 -5.569 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.426 -4.085 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.685 -3.583 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.304 -5.051 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.799 -6.423 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.042 -4.988 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.184 -4.306 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.984 -5.696 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.388 -6.098 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.525 -7.149 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.750 -5.802 1.866 1.00 0.00 H new ATOM 255 N ASN A 17 13.151 -1.464 7.559 1.00 0.00 N ATOM 256 CA ASN A 17 13.462 -0.068 7.248 1.00 0.00 C ATOM 257 C ASN A 17 13.902 0.666 8.490 1.00 0.00 C ATOM 258 O ASN A 17 14.721 1.583 8.423 1.00 0.00 O ATOM 259 CB ASN A 17 12.281 0.655 6.589 1.00 0.00 C ATOM 260 CG ASN A 17 12.071 0.227 5.153 1.00 0.00 C ATOM 261 OD1 ASN A 17 13.019 -0.156 4.463 1.00 0.00 O ATOM 262 ND2 ASN A 17 10.840 0.305 4.690 1.00 0.00 N ATOM 0 H ASN A 17 12.155 -1.674 7.625 1.00 0.00 H new ATOM 0 HA ASN A 17 14.281 -0.073 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.374 0.458 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.452 1.731 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.641 0.043 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.086 0.627 5.297 1.00 0.00 H new ATOM 269 N GLU A 18 13.365 0.246 9.626 1.00 0.00 N ATOM 270 CA GLU A 18 13.730 0.811 10.911 1.00 0.00 C ATOM 271 C GLU A 18 15.222 0.617 11.143 1.00 0.00 C ATOM 272 O GLU A 18 15.923 1.528 11.582 1.00 0.00 O ATOM 273 CB GLU A 18 12.941 0.119 12.025 1.00 0.00 C ATOM 274 CG GLU A 18 12.956 0.854 13.348 1.00 0.00 C ATOM 275 CD GLU A 18 12.170 2.137 13.290 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.776 3.222 13.383 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.934 2.066 13.136 1.00 0.00 O ATOM 0 H GLU A 18 12.666 -0.495 9.680 1.00 0.00 H new ATOM 0 HA GLU A 18 13.496 1.876 10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.907 -0.001 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.347 -0.882 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.543 0.211 14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.986 1.072 13.630 1.00 0.00 H new ATOM 284 N ARG A 19 15.706 -0.577 10.813 1.00 0.00 N ATOM 285 CA ARG A 19 17.116 -0.893 10.981 1.00 0.00 C ATOM 286 C ARG A 19 17.966 -0.064 10.017 1.00 0.00 C ATOM 287 O ARG A 19 19.074 0.338 10.350 1.00 0.00 O ATOM 288 CB ARG A 19 17.386 -2.395 10.783 1.00 0.00 C ATOM 289 CG ARG A 19 18.785 -2.821 11.203 1.00 0.00 C ATOM 290 CD ARG A 19 18.981 -2.658 12.703 1.00 0.00 C ATOM 291 NE ARG A 19 20.348 -2.965 13.120 1.00 0.00 N ATOM 292 CZ ARG A 19 20.673 -3.507 14.295 1.00 0.00 C ATOM 293 NH1 ARG A 19 19.725 -3.816 15.175 1.00 0.00 N ATOM 294 NH2 ARG A 19 21.946 -3.734 14.591 1.00 0.00 N ATOM 0 H ARG A 19 15.144 -1.337 10.430 1.00 0.00 H new ATOM 0 HA ARG A 19 17.394 -0.639 12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.654 -2.966 11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.238 -2.647 9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.951 -3.861 10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.525 -2.225 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.737 -1.635 12.990 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.287 -3.312 13.231 1.00 0.00 H new ATOM 0 HE ARG A 19 21.104 -2.751 12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.745 -3.639 14.953 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.977 -4.230 16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.676 -3.494 13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.195 -4.148 15.489 1.00 0.00 H new ATOM 308 N HIS A 20 17.432 0.186 8.815 1.00 0.00 N ATOM 309 CA HIS A 20 18.126 1.029 7.824 1.00 0.00 C ATOM 310 C HIS A 20 18.439 2.400 8.418 1.00 0.00 C ATOM 311 O HIS A 20 19.533 2.941 8.232 1.00 0.00 O ATOM 312 CB HIS A 20 17.291 1.200 6.536 1.00 0.00 C ATOM 313 CG HIS A 20 17.194 -0.036 5.686 1.00 0.00 C ATOM 314 ND1 HIS A 20 16.045 -0.400 5.006 1.00 0.00 N ATOM 315 CD2 HIS A 20 18.114 -0.983 5.393 1.00 0.00 C ATOM 316 CE1 HIS A 20 16.266 -1.514 4.339 1.00 0.00 C ATOM 317 NE2 HIS A 20 17.512 -1.889 4.554 1.00 0.00 N ATOM 0 H HIS A 20 16.531 -0.177 8.504 1.00 0.00 H new ATOM 0 HA HIS A 20 19.056 0.525 7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.285 1.517 6.810 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.726 2.002 5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.132 -1.020 5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 20 15.548 -2.033 3.721 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.957 -2.718 4.161 1.00 0.00 H new ATOM 325 N GLU A 21 17.480 2.942 9.154 1.00 0.00 N ATOM 326 CA GLU A 21 17.637 4.244 9.805 1.00 0.00 C ATOM 327 C GLU A 21 18.682 4.179 10.910 1.00 0.00 C ATOM 328 O GLU A 21 19.400 5.147 11.160 1.00 0.00 O ATOM 329 CB GLU A 21 16.302 4.712 10.390 1.00 0.00 C ATOM 330 CG GLU A 21 15.249 5.028 9.347 1.00 0.00 C ATOM 331 CD GLU A 21 15.491 6.354 8.667 1.00 0.00 C ATOM 332 OE1 GLU A 21 16.239 6.394 7.666 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.923 7.371 9.127 1.00 0.00 O ATOM 0 H GLU A 21 16.576 2.500 9.319 1.00 0.00 H new ATOM 0 HA GLU A 21 17.970 4.956 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.918 3.939 11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.475 5.600 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.234 4.236 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.266 5.039 9.819 1.00 0.00 H new ATOM 340 N GLU A 22 18.801 3.021 11.533 1.00 0.00 N ATOM 341 CA GLU A 22 19.710 2.852 12.655 1.00 0.00 C ATOM 342 C GLU A 22 21.130 2.626 12.158 1.00 0.00 C ATOM 343 O GLU A 22 22.097 3.044 12.798 1.00 0.00 O ATOM 344 CB GLU A 22 19.273 1.680 13.546 1.00 0.00 C ATOM 345 CG GLU A 22 20.037 1.583 14.856 1.00 0.00 C ATOM 346 CD GLU A 22 19.829 2.794 15.743 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.731 2.933 16.319 1.00 0.00 O ATOM 348 OE2 GLU A 22 20.763 3.605 15.875 1.00 0.00 O ATOM 0 H GLU A 22 18.279 2.181 11.282 1.00 0.00 H new ATOM 0 HA GLU A 22 19.683 3.765 13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.210 1.779 13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.400 0.749 12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.722 0.687 15.391 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.100 1.470 14.645 1.00 0.00 H new ATOM 355 N ALA A 23 21.255 2.009 10.990 1.00 0.00 N ATOM 356 CA ALA A 23 22.566 1.711 10.434 1.00 0.00 C ATOM 357 C ALA A 23 23.126 2.946 9.765 1.00 0.00 C ATOM 358 O ALA A 23 24.345 3.120 9.660 1.00 0.00 O ATOM 359 CB ALA A 23 22.490 0.553 9.443 1.00 0.00 C ATOM 0 H ALA A 23 20.469 1.707 10.413 1.00 0.00 H new ATOM 0 HA ALA A 23 23.229 1.411 11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.483 0.351 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.116 -0.336 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.816 0.816 8.627 1.00 0.00 H new ATOM 365 N GLU A 24 22.225 3.816 9.332 1.00 0.00 N ATOM 366 CA GLU A 24 22.620 5.067 8.716 1.00 0.00 C ATOM 367 C GLU A 24 23.214 5.973 9.777 1.00 0.00 C ATOM 368 O GLU A 24 24.267 6.564 9.585 1.00 0.00 O ATOM 369 CB GLU A 24 21.427 5.759 8.023 1.00 0.00 C ATOM 370 CG GLU A 24 21.783 7.085 7.370 1.00 0.00 C ATOM 371 CD GLU A 24 22.766 6.937 6.226 1.00 0.00 C ATOM 372 OE1 GLU A 24 23.955 6.666 6.481 1.00 0.00 O ATOM 373 OE2 GLU A 24 22.360 7.119 5.060 1.00 0.00 O ATOM 0 H GLU A 24 21.217 3.676 9.397 1.00 0.00 H new ATOM 0 HA GLU A 24 23.364 4.859 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.020 5.089 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.639 5.926 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.873 7.558 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.206 7.752 8.121 1.00 0.00 H new ATOM 380 N LEU A 25 22.534 6.057 10.916 1.00 0.00 N ATOM 381 CA LEU A 25 23.013 6.845 12.038 1.00 0.00 C ATOM 382 C LEU A 25 24.366 6.318 12.534 1.00 0.00 C ATOM 383 O LEU A 25 25.210 7.085 13.007 1.00 0.00 O ATOM 384 CB LEU A 25 21.980 6.852 13.167 1.00 0.00 C ATOM 385 CG LEU A 25 20.639 7.517 12.831 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.673 7.392 13.997 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.840 8.980 12.463 1.00 0.00 C ATOM 0 H LEU A 25 21.645 5.585 11.083 1.00 0.00 H new ATOM 0 HA LEU A 25 23.156 7.872 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.789 5.822 13.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.412 7.361 14.028 1.00 0.00 H new ATOM 0 HG LEU A 25 20.211 7.002 11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.728 7.870 13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.500 6.338 14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.098 7.878 14.875 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.876 9.432 12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.293 9.507 13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.495 9.050 11.594 1.00 0.00 H new ATOM 399 N GLU A 26 24.551 5.002 12.441 1.00 0.00 N ATOM 400 CA GLU A 26 25.839 4.383 12.777 1.00 0.00 C ATOM 401 C GLU A 26 26.946 4.982 11.922 1.00 0.00 C ATOM 402 O GLU A 26 28.014 5.347 12.423 1.00 0.00 O ATOM 403 CB GLU A 26 25.809 2.865 12.579 1.00 0.00 C ATOM 404 CG GLU A 26 24.996 2.108 13.612 1.00 0.00 C ATOM 405 CD GLU A 26 25.295 0.627 13.599 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.666 -0.108 12.812 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.173 0.189 14.375 1.00 0.00 O ATOM 0 H GLU A 26 23.832 4.345 12.138 1.00 0.00 H new ATOM 0 HA GLU A 26 26.033 4.585 13.830 1.00 0.00 H new ATOM 0 HB2 GLU A 26 25.406 2.649 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.832 2.490 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 26 25.205 2.511 14.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.934 2.264 13.422 1.00 0.00 H new ATOM 414 N ARG A 27 26.666 5.104 10.636 1.00 0.00 N ATOM 415 CA ARG A 27 27.623 5.655 9.676 1.00 0.00 C ATOM 416 C ARG A 27 27.718 7.173 9.813 1.00 0.00 C ATOM 417 O ARG A 27 28.800 7.755 9.685 1.00 0.00 O ATOM 418 CB ARG A 27 27.225 5.274 8.239 1.00 0.00 C ATOM 419 CG ARG A 27 28.142 5.842 7.178 1.00 0.00 C ATOM 420 CD ARG A 27 27.782 5.326 5.798 1.00 0.00 C ATOM 421 NE ARG A 27 26.423 5.693 5.386 1.00 0.00 N ATOM 422 CZ ARG A 27 25.992 5.645 4.124 1.00 0.00 C ATOM 423 NH1 ARG A 27 26.820 5.285 3.149 1.00 0.00 N ATOM 424 NH2 ARG A 27 24.739 5.964 3.838 1.00 0.00 N ATOM 0 H ARG A 27 25.775 4.827 10.224 1.00 0.00 H new ATOM 0 HA ARG A 27 28.603 5.229 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 27 27.213 4.188 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.209 5.620 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.081 6.930 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 29.174 5.578 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 27 28.494 5.718 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.879 4.240 5.785 1.00 0.00 H new ATOM 0 HE ARG A 27 25.770 6.003 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 27 27.788 5.045 3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 26.488 5.249 2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.102 6.247 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.411 5.927 2.873 1.00 0.00 H new ATOM 438 N LEU A 28 26.592 7.801 10.101 1.00 0.00 N ATOM 439 CA LEU A 28 26.529 9.255 10.247 1.00 0.00 C ATOM 440 C LEU A 28 27.433 9.713 11.384 1.00 0.00 C ATOM 441 O LEU A 28 28.190 10.670 11.242 1.00 0.00 O ATOM 442 CB LEU A 28 25.085 9.731 10.496 1.00 0.00 C ATOM 443 CG LEU A 28 24.890 11.246 10.572 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.246 11.902 9.247 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.460 11.581 10.968 1.00 0.00 C ATOM 0 H LEU A 28 25.699 7.328 10.240 1.00 0.00 H new ATOM 0 HA LEU A 28 26.876 9.699 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.451 9.341 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.732 9.291 11.429 1.00 0.00 H new ATOM 0 HG LEU A 28 25.560 11.639 11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.100 12.979 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.288 11.693 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.605 11.504 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.340 12.663 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.772 11.173 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.242 11.147 11.944 1.00 0.00 H new ATOM 457 N LYS A 29 27.369 9.002 12.505 1.00 0.00 N ATOM 458 CA LYS A 29 28.191 9.329 13.667 1.00 0.00 C ATOM 459 C LYS A 29 29.661 9.040 13.400 1.00 0.00 C ATOM 460 O LYS A 29 30.530 9.558 14.088 1.00 0.00 O ATOM 461 CB LYS A 29 27.727 8.575 14.919 1.00 0.00 C ATOM 462 CG LYS A 29 26.322 8.943 15.384 1.00 0.00 C ATOM 463 CD LYS A 29 26.007 8.339 16.749 1.00 0.00 C ATOM 464 CE LYS A 29 26.017 6.815 16.722 1.00 0.00 C ATOM 465 NZ LYS A 29 24.972 6.261 15.825 1.00 0.00 N ATOM 0 H LYS A 29 26.757 8.196 12.634 1.00 0.00 H new ATOM 0 HA LYS A 29 28.072 10.397 13.849 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.763 7.504 14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.429 8.772 15.729 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.227 10.028 15.435 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.593 8.593 14.653 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.737 8.692 17.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 25.030 8.688 17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.996 6.466 16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 29 25.865 6.435 17.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.926 5.229 15.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.050 6.678 16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.206 6.488 14.837 1.00 0.00 H new ATOM 479 N SER A 30 29.931 8.222 12.396 1.00 0.00 N ATOM 480 CA SER A 30 31.299 7.874 12.049 1.00 0.00 C ATOM 481 C SER A 30 31.921 9.006 11.233 1.00 0.00 C ATOM 482 O SER A 30 33.055 9.420 11.478 1.00 0.00 O ATOM 483 CB SER A 30 31.343 6.548 11.257 1.00 0.00 C ATOM 484 OG SER A 30 32.675 6.147 10.983 1.00 0.00 O ATOM 0 H SER A 30 29.221 7.787 11.807 1.00 0.00 H new ATOM 0 HA SER A 30 31.872 7.735 12.966 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.837 5.767 11.825 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.798 6.665 10.320 1.00 0.00 H new ATOM 0 HG SER A 30 32.667 5.304 10.483 1.00 0.00 H new ATOM 490 N GLU A 31 31.158 9.514 10.277 1.00 0.00 N ATOM 491 CA GLU A 31 31.606 10.604 9.424 1.00 0.00 C ATOM 492 C GLU A 31 31.674 11.909 10.205 1.00 0.00 C ATOM 493 O GLU A 31 32.718 12.564 10.262 1.00 0.00 O ATOM 494 CB GLU A 31 30.653 10.770 8.242 1.00 0.00 C ATOM 495 CG GLU A 31 30.632 9.590 7.289 1.00 0.00 C ATOM 496 CD GLU A 31 31.950 9.404 6.578 1.00 0.00 C ATOM 497 OE1 GLU A 31 32.277 10.233 5.707 1.00 0.00 O ATOM 498 OE2 GLU A 31 32.655 8.422 6.873 1.00 0.00 O ATOM 0 H GLU A 31 30.215 9.184 10.071 1.00 0.00 H new ATOM 0 HA GLU A 31 32.603 10.360 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.645 10.933 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.933 11.666 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.389 8.683 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 31 29.842 9.735 6.552 1.00 0.00 H new ATOM 505 N ARG A 32 30.556 12.255 10.835 1.00 0.00 N ATOM 506 CA ARG A 32 30.414 13.502 11.586 1.00 0.00 C ATOM 507 C ARG A 32 31.348 13.557 12.795 1.00 0.00 C ATOM 508 O ARG A 32 31.592 14.624 13.342 1.00 0.00 O ATOM 509 CB ARG A 32 28.963 13.710 12.027 1.00 0.00 C ATOM 510 CG ARG A 32 27.965 13.845 10.875 1.00 0.00 C ATOM 511 CD ARG A 32 28.270 15.051 9.993 1.00 0.00 C ATOM 512 NE ARG A 32 28.764 14.667 8.665 1.00 0.00 N ATOM 513 CZ ARG A 32 29.195 15.535 7.743 1.00 0.00 C ATOM 514 NH1 ARG A 32 29.218 16.840 8.006 1.00 0.00 N ATOM 515 NH2 ARG A 32 29.612 15.095 6.559 1.00 0.00 N ATOM 0 H ARG A 32 29.716 11.676 10.840 1.00 0.00 H new ATOM 0 HA ARG A 32 30.699 14.311 10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 32 28.663 12.871 12.655 1.00 0.00 H new ATOM 0 HB3 ARG A 32 28.909 14.606 12.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.985 12.939 10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.956 13.936 11.278 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.368 15.653 9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 32 29.013 15.679 10.486 1.00 0.00 H new ATOM 0 HE ARG A 32 28.780 13.675 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.906 17.183 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 32 29.548 17.497 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.603 14.096 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.941 15.757 5.856 1.00 0.00 H new ATOM 529 N HIS A 33 31.838 12.395 13.219 1.00 0.00 N ATOM 530 CA HIS A 33 32.736 12.280 14.380 1.00 0.00 C ATOM 531 C HIS A 33 33.922 13.255 14.288 1.00 0.00 C ATOM 532 O HIS A 33 34.385 13.760 15.293 1.00 0.00 O ATOM 533 CB HIS A 33 33.261 10.846 14.494 1.00 0.00 C ATOM 534 CG HIS A 33 33.811 10.492 15.844 1.00 0.00 C ATOM 535 ND1 HIS A 33 33.203 9.585 16.682 1.00 0.00 N ATOM 536 CD2 HIS A 33 34.925 10.911 16.496 1.00 0.00 C ATOM 537 CE1 HIS A 33 33.905 9.460 17.783 1.00 0.00 C ATOM 538 NE2 HIS A 33 34.959 10.253 17.700 1.00 0.00 N ATOM 0 H HIS A 33 31.628 11.503 12.772 1.00 0.00 H new ATOM 0 HA HIS A 33 32.158 12.537 15.268 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.453 10.156 14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.041 10.697 13.747 1.00 0.00 H new ATOM 0 HD2 HIS A 33 35.648 11.627 16.135 1.00 0.00 H new ATOM 0 HE1 HIS A 33 33.663 8.818 18.617 1.00 0.00 H new ATOM 0 HE2 HIS A 33 35.680 10.359 18.414 1.00 0.00 H new ATOM 546 N ASP A 34 34.414 13.494 13.081 1.00 0.00 N ATOM 547 CA ASP A 34 35.558 14.411 12.882 1.00 0.00 C ATOM 548 C ASP A 34 35.076 15.839 12.660 1.00 0.00 C ATOM 549 O ASP A 34 35.852 16.793 12.701 1.00 0.00 O ATOM 550 CB ASP A 34 36.423 13.954 11.701 1.00 0.00 C ATOM 551 CG ASP A 34 37.754 14.685 11.628 1.00 0.00 C ATOM 552 OD1 ASP A 34 38.670 14.334 12.403 1.00 0.00 O ATOM 553 OD2 ASP A 34 37.893 15.598 10.791 1.00 0.00 O ATOM 0 H ASP A 34 34.052 13.076 12.224 1.00 0.00 H new ATOM 0 HA ASP A 34 36.166 14.388 13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.606 12.883 11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.875 14.113 10.772 1.00 0.00 H new ATOM 558 N HIS A 35 33.790 15.977 12.469 1.00 0.00 N ATOM 559 CA HIS A 35 33.197 17.265 12.161 1.00 0.00 C ATOM 560 C HIS A 35 32.722 17.961 13.424 1.00 0.00 C ATOM 561 O HIS A 35 32.425 19.148 13.406 1.00 0.00 O ATOM 562 CB HIS A 35 32.051 17.121 11.157 1.00 0.00 C ATOM 563 CG HIS A 35 32.498 16.639 9.812 1.00 0.00 C ATOM 564 ND1 HIS A 35 32.210 15.385 9.330 1.00 0.00 N ATOM 565 CD2 HIS A 35 33.227 17.249 8.849 1.00 0.00 C ATOM 566 CE1 HIS A 35 32.747 15.242 8.130 1.00 0.00 C ATOM 567 NE2 HIS A 35 33.369 16.359 7.817 1.00 0.00 N ATOM 0 H HIS A 35 33.122 15.208 12.521 1.00 0.00 H new ATOM 0 HA HIS A 35 33.969 17.883 11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 35 31.312 16.426 11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 35 31.554 18.084 11.043 1.00 0.00 H new ATOM 0 HD2 HIS A 35 33.624 18.253 8.887 1.00 0.00 H new ATOM 0 HE1 HIS A 35 32.686 14.359 7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 35 33.874 16.534 6.948 1.00 0.00 H new ATOM 575 N ASP A 36 32.682 17.219 14.532 1.00 0.00 N ATOM 576 CA ASP A 36 32.207 17.761 15.814 1.00 0.00 C ATOM 577 C ASP A 36 33.164 18.824 16.340 1.00 0.00 C ATOM 578 O ASP A 36 32.756 19.758 17.031 1.00 0.00 O ATOM 579 CB ASP A 36 32.004 16.640 16.865 1.00 0.00 C ATOM 580 CG ASP A 36 33.299 16.100 17.471 1.00 0.00 C ATOM 581 OD1 ASP A 36 34.348 16.114 16.793 1.00 0.00 O ATOM 582 OD2 ASP A 36 33.266 15.648 18.634 1.00 0.00 O ATOM 0 H ASP A 36 32.972 16.242 14.571 1.00 0.00 H new ATOM 0 HA ASP A 36 31.238 18.227 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 36 31.373 17.021 17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 36 31.464 15.816 16.399 1.00 0.00 H new ATOM 587 N LYS A 37 34.434 18.684 15.988 1.00 0.00 N ATOM 588 CA LYS A 37 35.461 19.644 16.396 1.00 0.00 C ATOM 589 C LYS A 37 35.291 20.950 15.619 1.00 0.00 C ATOM 590 O LYS A 37 35.808 21.999 16.004 1.00 0.00 O ATOM 591 CB LYS A 37 36.867 19.060 16.153 1.00 0.00 C ATOM 592 CG LYS A 37 37.992 19.856 16.790 1.00 0.00 C ATOM 593 CD LYS A 37 39.345 19.255 16.450 1.00 0.00 C ATOM 594 CE LYS A 37 40.466 19.975 17.174 1.00 0.00 C ATOM 595 NZ LYS A 37 41.801 19.470 16.771 1.00 0.00 N ATOM 0 H LYS A 37 34.783 17.913 15.419 1.00 0.00 H new ATOM 0 HA LYS A 37 35.349 19.848 17.461 1.00 0.00 H new ATOM 0 HB2 LYS A 37 36.896 18.041 16.538 1.00 0.00 H new ATOM 0 HB3 LYS A 37 37.042 19.001 15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 37 37.952 20.889 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 37 37.861 19.876 17.872 1.00 0.00 H new ATOM 0 HD2 LYS A 37 39.354 18.199 16.720 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.510 19.310 15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 37 40.405 21.043 16.966 1.00 0.00 H new ATOM 0 HE3 LYS A 37 40.341 19.852 18.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 42.539 19.988 17.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 41.870 18.456 16.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 41.931 19.611 15.749 1.00 0.00 H new ATOM 609 N LYS A 38 34.546 20.874 14.532 1.00 0.00 N ATOM 610 CA LYS A 38 34.308 22.022 13.679 1.00 0.00 C ATOM 611 C LYS A 38 32.947 22.637 13.970 1.00 0.00 C ATOM 612 O LYS A 38 32.814 23.858 14.071 1.00 0.00 O ATOM 613 CB LYS A 38 34.405 21.613 12.206 1.00 0.00 C ATOM 614 CG LYS A 38 35.772 21.072 11.814 1.00 0.00 C ATOM 615 CD LYS A 38 35.791 20.579 10.380 1.00 0.00 C ATOM 616 CE LYS A 38 37.170 20.068 9.980 1.00 0.00 C ATOM 617 NZ LYS A 38 38.192 21.144 9.986 1.00 0.00 N ATOM 0 H LYS A 38 34.090 20.018 14.217 1.00 0.00 H new ATOM 0 HA LYS A 38 35.072 22.771 13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 38 33.650 20.855 11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 34.172 22.476 11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 36.522 21.853 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 38 36.046 20.256 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 38 35.058 19.782 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 35.495 21.388 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 38 37.475 19.277 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 38 37.117 19.626 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 39.057 20.804 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 37.826 21.973 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 38.411 21.410 10.967 1.00 0.00 H new ATOM 631 N GLU A 39 31.941 21.789 14.122 1.00 0.00 N ATOM 632 CA GLU A 39 30.589 22.240 14.396 1.00 0.00 C ATOM 633 C GLU A 39 29.786 21.133 15.084 1.00 0.00 C ATOM 634 O GLU A 39 30.077 19.946 14.927 1.00 0.00 O ATOM 635 CB GLU A 39 29.904 22.670 13.082 1.00 0.00 C ATOM 636 CG GLU A 39 28.457 23.136 13.232 1.00 0.00 C ATOM 637 CD GLU A 39 28.306 24.322 14.159 1.00 0.00 C ATOM 638 OE1 GLU A 39 28.415 25.468 13.682 1.00 0.00 O ATOM 639 OE2 GLU A 39 28.057 24.113 15.370 1.00 0.00 O ATOM 0 H GLU A 39 32.040 20.776 14.059 1.00 0.00 H new ATOM 0 HA GLU A 39 30.631 23.098 15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 39 30.485 23.476 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 39 29.930 21.832 12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 39 28.063 23.398 12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 39 27.853 22.310 13.608 1.00 0.00 H new ATOM 646 N ALA A 40 28.786 21.530 15.852 1.00 0.00 N ATOM 647 CA ALA A 40 27.923 20.588 16.544 1.00 0.00 C ATOM 648 C ALA A 40 26.888 19.998 15.556 1.00 0.00 C ATOM 649 O ALA A 40 25.720 20.393 15.575 1.00 0.00 O ATOM 650 CB ALA A 40 27.204 21.281 17.701 1.00 0.00 C ATOM 0 H ALA A 40 28.550 22.509 16.013 1.00 0.00 H new ATOM 0 HA ALA A 40 28.535 19.780 16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 40 26.561 20.564 18.211 1.00 0.00 H new ATOM 0 HB2 ALA A 40 27.939 21.673 18.404 1.00 0.00 H new ATOM 0 HB3 ALA A 40 26.599 22.101 17.314 1.00 0.00 H new ATOM 656 N GLU A 41 27.346 19.084 14.666 1.00 0.00 N ATOM 657 CA GLU A 41 26.504 18.458 13.628 1.00 0.00 C ATOM 658 C GLU A 41 25.161 17.944 14.162 1.00 0.00 C ATOM 659 O GLU A 41 24.125 18.093 13.511 1.00 0.00 O ATOM 660 CB GLU A 41 27.265 17.290 12.996 1.00 0.00 C ATOM 661 CG GLU A 41 28.659 17.648 12.507 1.00 0.00 C ATOM 662 CD GLU A 41 28.646 18.656 11.384 1.00 0.00 C ATOM 663 OE1 GLU A 41 28.663 18.246 10.207 1.00 0.00 O ATOM 664 OE2 GLU A 41 28.628 19.864 11.668 1.00 0.00 O ATOM 0 H GLU A 41 28.314 18.762 14.651 1.00 0.00 H new ATOM 0 HA GLU A 41 26.283 19.233 12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.344 16.484 13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.685 16.904 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.239 18.046 13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.164 16.743 12.170 1.00 0.00 H new ATOM 671 N ARG A 42 25.181 17.362 15.345 1.00 0.00 N ATOM 672 CA ARG A 42 24.047 16.779 15.925 1.00 0.00 C ATOM 673 C ARG A 42 24.353 16.594 17.381 1.00 0.00 C ATOM 674 O ARG A 42 25.508 16.432 17.755 1.00 0.00 O ATOM 675 CB ARG A 42 23.731 15.424 15.268 1.00 0.00 C ATOM 676 CG ARG A 42 22.387 14.850 15.675 1.00 0.00 C ATOM 677 CD ARG A 42 22.111 13.504 15.025 1.00 0.00 C ATOM 678 NE ARG A 42 20.733 13.071 15.264 1.00 0.00 N ATOM 679 CZ ARG A 42 20.357 11.824 15.563 1.00 0.00 C ATOM 680 NH1 ARG A 42 21.263 10.853 15.673 1.00 0.00 N ATOM 681 NH2 ARG A 42 19.073 11.549 15.756 1.00 0.00 N ATOM 0 H ARG A 42 26.020 17.294 15.922 1.00 0.00 H new ATOM 0 HA ARG A 42 23.173 17.415 15.784 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.754 15.541 14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 42 24.514 14.712 15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 42 22.355 14.740 16.759 1.00 0.00 H new ATOM 0 HG3 ARG A 42 21.598 15.551 15.402 1.00 0.00 H new ATOM 0 HD2 ARG A 42 22.292 13.572 13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 42 22.802 12.759 15.419 1.00 0.00 H new ATOM 0 HE ARG A 42 20.001 13.778 15.197 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.251 11.059 15.529 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.968 9.904 15.902 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.375 12.289 15.676 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.784 10.598 15.984 1.00 0.00 H new ATOM 695 N LYS A 43 23.346 16.660 18.171 1.00 0.00 N ATOM 696 CA LYS A 43 23.447 16.494 19.629 1.00 0.00 C ATOM 697 C LYS A 43 24.286 15.274 20.037 1.00 0.00 C ATOM 698 O LYS A 43 25.035 15.343 20.992 1.00 0.00 O ATOM 699 CB LYS A 43 22.061 16.446 20.279 1.00 0.00 C ATOM 700 CG LYS A 43 21.354 17.799 20.285 1.00 0.00 C ATOM 701 CD LYS A 43 20.022 17.747 21.021 1.00 0.00 C ATOM 702 CE LYS A 43 18.977 16.949 20.253 1.00 0.00 C ATOM 703 NZ LYS A 43 18.673 17.560 18.934 1.00 0.00 N ATOM 0 H LYS A 43 22.395 16.833 17.846 1.00 0.00 H new ATOM 0 HA LYS A 43 23.974 17.373 20.000 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.443 15.722 19.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 22.160 16.090 21.304 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.998 18.542 20.755 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.188 18.125 19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.168 17.301 22.005 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.657 18.761 21.182 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.334 15.929 20.107 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.063 16.886 20.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.778 17.175 18.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.589 18.591 19.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.440 17.343 18.266 1.00 0.00 H new ATOM 717 N ALA A 44 24.159 14.168 19.303 1.00 0.00 N ATOM 718 CA ALA A 44 24.978 12.959 19.578 1.00 0.00 C ATOM 719 C ALA A 44 26.485 13.284 19.527 1.00 0.00 C ATOM 720 O ALA A 44 27.295 12.658 20.203 1.00 0.00 O ATOM 721 CB ALA A 44 24.647 11.839 18.590 1.00 0.00 C ATOM 0 H ALA A 44 23.510 14.072 18.522 1.00 0.00 H new ATOM 0 HA ALA A 44 24.734 12.619 20.584 1.00 0.00 H new ATOM 0 HB1 ALA A 44 25.259 10.965 18.812 1.00 0.00 H new ATOM 0 HB2 ALA A 44 23.593 11.575 18.679 1.00 0.00 H new ATOM 0 HB3 ALA A 44 24.852 12.177 17.574 1.00 0.00 H new ATOM 727 N LEU A 45 26.826 14.268 18.716 1.00 0.00 N ATOM 728 CA LEU A 45 28.207 14.727 18.584 1.00 0.00 C ATOM 729 C LEU A 45 28.465 15.862 19.569 1.00 0.00 C ATOM 730 O LEU A 45 29.510 15.928 20.212 1.00 0.00 O ATOM 731 CB LEU A 45 28.515 15.199 17.143 1.00 0.00 C ATOM 732 CG LEU A 45 28.565 14.114 16.045 1.00 0.00 C ATOM 733 CD1 LEU A 45 29.482 12.970 16.450 1.00 0.00 C ATOM 734 CD2 LEU A 45 27.171 13.603 15.705 1.00 0.00 C ATOM 0 H LEU A 45 26.161 14.773 18.130 1.00 0.00 H new ATOM 0 HA LEU A 45 28.866 13.887 18.807 1.00 0.00 H new ATOM 0 HB2 LEU A 45 27.762 15.934 16.859 1.00 0.00 H new ATOM 0 HB3 LEU A 45 29.475 15.715 17.153 1.00 0.00 H new ATOM 0 HG LEU A 45 28.976 14.573 15.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 29.499 12.220 15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 45 30.490 13.351 16.610 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.115 12.518 17.371 1.00 0.00 H new ATOM 0 HD21 LEU A 45 27.242 12.841 14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 45 26.714 13.172 16.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 26.558 14.430 15.346 1.00 0.00 H new ATOM 746 N GLU A 46 27.475 16.741 19.683 1.00 0.00 N ATOM 747 CA GLU A 46 27.534 17.906 20.577 1.00 0.00 C ATOM 748 C GLU A 46 27.693 17.472 22.033 1.00 0.00 C ATOM 749 O GLU A 46 28.344 18.148 22.820 1.00 0.00 O ATOM 750 CB GLU A 46 26.260 18.755 20.432 1.00 0.00 C ATOM 751 CG GLU A 46 26.314 20.091 21.145 1.00 0.00 C ATOM 752 CD GLU A 46 24.984 20.807 21.112 1.00 0.00 C ATOM 753 OE1 GLU A 46 24.284 20.802 22.141 1.00 0.00 O ATOM 754 OE2 GLU A 46 24.625 21.372 20.051 1.00 0.00 O ATOM 0 H GLU A 46 26.603 16.671 19.158 1.00 0.00 H new ATOM 0 HA GLU A 46 28.402 18.501 20.293 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.073 18.930 19.372 1.00 0.00 H new ATOM 0 HB3 GLU A 46 25.413 18.186 20.816 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.617 19.937 22.181 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.075 20.719 20.681 1.00 0.00 H new ATOM 761 N ASP A 47 27.105 16.329 22.369 1.00 0.00 N ATOM 762 CA ASP A 47 27.163 15.796 23.739 1.00 0.00 C ATOM 763 C ASP A 47 28.597 15.480 24.121 1.00 0.00 C ATOM 764 O ASP A 47 29.037 15.793 25.220 1.00 0.00 O ATOM 765 CB ASP A 47 26.293 14.534 23.878 1.00 0.00 C ATOM 766 CG ASP A 47 26.408 13.895 25.246 1.00 0.00 C ATOM 767 OD1 ASP A 47 25.724 14.356 26.184 1.00 0.00 O ATOM 768 OD2 ASP A 47 27.180 12.920 25.388 1.00 0.00 O ATOM 0 H ASP A 47 26.580 15.748 21.715 1.00 0.00 H new ATOM 0 HA ASP A 47 26.773 16.558 24.414 1.00 0.00 H new ATOM 0 HB2 ASP A 47 25.251 14.793 23.688 1.00 0.00 H new ATOM 0 HB3 ASP A 47 26.585 13.810 23.117 1.00 0.00 H new ATOM 773 N LYS A 48 29.306 14.833 23.208 1.00 0.00 N ATOM 774 CA LYS A 48 30.731 14.554 23.390 1.00 0.00 C ATOM 775 C LYS A 48 31.500 15.827 23.747 1.00 0.00 C ATOM 776 O LYS A 48 32.366 15.817 24.624 1.00 0.00 O ATOM 777 CB LYS A 48 31.314 13.899 22.141 1.00 0.00 C ATOM 778 CG LYS A 48 30.744 12.518 21.858 1.00 0.00 C ATOM 779 CD LYS A 48 31.051 11.552 22.994 1.00 0.00 C ATOM 780 CE LYS A 48 30.522 10.159 22.703 1.00 0.00 C ATOM 781 NZ LYS A 48 31.163 9.556 21.511 1.00 0.00 N ATOM 0 H LYS A 48 28.920 14.488 22.329 1.00 0.00 H new ATOM 0 HA LYS A 48 30.835 13.858 24.222 1.00 0.00 H new ATOM 0 HB2 LYS A 48 31.128 14.543 21.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 32.395 13.821 22.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.665 12.589 21.719 1.00 0.00 H new ATOM 0 HG3 LYS A 48 31.161 12.133 20.927 1.00 0.00 H new ATOM 0 HD2 LYS A 48 32.128 11.507 23.152 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.608 11.924 23.918 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.693 9.519 23.569 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.444 10.206 22.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.943 8.540 21.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.803 10.019 20.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.193 9.685 21.568 1.00 0.00 H new ATOM 795 N LEU A 49 31.192 16.913 23.053 1.00 0.00 N ATOM 796 CA LEU A 49 31.783 18.211 23.354 1.00 0.00 C ATOM 797 C LEU A 49 31.305 18.697 24.725 1.00 0.00 C ATOM 798 O LEU A 49 32.105 19.074 25.579 1.00 0.00 O ATOM 799 CB LEU A 49 31.381 19.229 22.282 1.00 0.00 C ATOM 800 CG LEU A 49 31.648 18.816 20.833 1.00 0.00 C ATOM 801 CD1 LEU A 49 31.054 19.833 19.877 1.00 0.00 C ATOM 802 CD2 LEU A 49 33.141 18.661 20.589 1.00 0.00 C ATOM 0 H LEU A 49 30.533 16.922 22.274 1.00 0.00 H new ATOM 0 HA LEU A 49 32.868 18.110 23.366 1.00 0.00 H new ATOM 0 HB2 LEU A 49 30.317 19.439 22.389 1.00 0.00 H new ATOM 0 HB3 LEU A 49 31.911 20.161 22.477 1.00 0.00 H new ATOM 0 HG LEU A 49 31.170 17.853 20.653 1.00 0.00 H new ATOM 0 HD11 LEU A 49 31.252 19.526 18.850 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.977 19.896 20.036 1.00 0.00 H new ATOM 0 HD13 LEU A 49 31.505 20.809 20.057 1.00 0.00 H new ATOM 0 HD21 LEU A 49 33.312 18.367 19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 49 33.642 19.609 20.784 1.00 0.00 H new ATOM 0 HD23 LEU A 49 33.541 17.896 21.254 1.00 0.00 H new ATOM 814 N ALA A 50 29.989 18.705 24.891 1.00 0.00 N ATOM 815 CA ALA A 50 29.343 19.100 26.142 1.00 0.00 C ATOM 816 C ALA A 50 29.684 18.137 27.287 1.00 0.00 C ATOM 817 O ALA A 50 28.889 17.262 27.645 1.00 0.00 O ATOM 818 CB ALA A 50 27.836 19.199 25.953 1.00 0.00 C ATOM 0 H ALA A 50 29.333 18.436 24.158 1.00 0.00 H new ATOM 0 HA ALA A 50 29.728 20.082 26.417 1.00 0.00 H new ATOM 0 HB1 ALA A 50 27.370 19.494 26.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.613 19.943 25.188 1.00 0.00 H new ATOM 0 HB3 ALA A 50 27.444 18.231 25.642 1.00 0.00 H new ATOM 824 N ASP A 51 30.879 18.291 27.831 1.00 0.00 N ATOM 825 CA ASP A 51 31.349 17.454 28.929 1.00 0.00 C ATOM 826 C ASP A 51 30.574 17.734 30.207 1.00 0.00 C ATOM 827 O ASP A 51 30.814 18.735 30.887 1.00 0.00 O ATOM 828 CB ASP A 51 32.849 17.653 29.173 1.00 0.00 C ATOM 829 CG ASP A 51 33.396 16.696 30.219 1.00 0.00 C ATOM 830 OD1 ASP A 51 33.860 15.601 29.839 1.00 0.00 O ATOM 831 OD2 ASP A 51 33.357 17.027 31.428 1.00 0.00 O ATOM 0 H ASP A 51 31.551 18.996 27.528 1.00 0.00 H new ATOM 0 HA ASP A 51 31.178 16.417 28.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 33.389 17.511 28.237 1.00 0.00 H new ATOM 0 HB3 ASP A 51 33.030 18.679 29.493 1.00 0.00 H new ATOM 836 N TYR A 52 29.634 16.866 30.507 1.00 0.00 N ATOM 837 CA TYR A 52 28.821 16.986 31.705 1.00 0.00 C ATOM 838 C TYR A 52 28.594 15.618 32.327 1.00 0.00 C ATOM 839 O TYR A 52 29.388 15.226 33.205 1.00 0.00 O ATOM 840 CB TYR A 52 27.476 17.662 31.400 1.00 0.00 C ATOM 841 CG TYR A 52 27.591 19.106 30.954 1.00 0.00 C ATOM 842 CD1 TYR A 52 27.326 19.468 29.643 1.00 0.00 C ATOM 843 CD2 TYR A 52 27.965 20.105 31.845 1.00 0.00 C ATOM 844 CE1 TYR A 52 27.428 20.779 29.229 1.00 0.00 C ATOM 845 CE2 TYR A 52 28.070 21.421 31.437 1.00 0.00 C ATOM 846 CZ TYR A 52 27.801 21.749 30.125 1.00 0.00 C ATOM 847 OH TYR A 52 27.903 23.059 29.709 1.00 0.00 O ATOM 848 OXT TYR A 52 27.632 14.931 31.930 1.00 0.00 O ATOM 0 H TYR A 52 29.409 16.056 29.930 1.00 0.00 H new ATOM 0 HA TYR A 52 29.359 17.614 32.415 1.00 0.00 H new ATOM 0 HB2 TYR A 52 26.965 17.094 30.623 1.00 0.00 H new ATOM 0 HB3 TYR A 52 26.850 17.618 32.291 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.034 18.709 28.932 1.00 0.00 H new ATOM 0 HD2 TYR A 52 28.177 19.849 32.873 1.00 0.00 H new ATOM 0 HE1 TYR A 52 27.215 21.042 28.203 1.00 0.00 H new ATOM 0 HE2 TYR A 52 28.361 22.187 32.141 1.00 0.00 H new ATOM 0 HH TYR A 52 28.176 23.622 30.464 1.00 0.00 H new TER 858 TYR A 52