USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 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 2 SER OG : rot 171:sc= 0.982 USER MOD Set 1.2: A 5 LYS NZ :NH3+ -176:sc= 1.16 (180deg=-0.0292) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0673 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -56:sc= 1.31 USER MOD Single : A 13 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.97) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= -1.15 (180deg=-3.2!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 20 HIS :FLIP no HE2:sc= 0.223 F(o=-0.8,f=0.22) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0223 (180deg=-0.171) USER MOD Single : A 30 SER OG : rot 69:sc= 0.444 USER MOD Single : A 33 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 35 HIS : no HD1:sc= 0.324 K(o=0.32,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.652) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0567 (180deg=-0.373) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc=-0.00438 (180deg=-0.136) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.423) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.758 -6.209 -9.164 1.00 0.00 N ATOM 2 CA GLY A 1 0.400 -5.492 -7.920 1.00 0.00 C ATOM 3 C GLY A 1 1.093 -6.071 -6.712 1.00 0.00 C ATOM 4 O GLY A 1 2.123 -6.729 -6.838 1.00 0.00 O ATOM 0 H1 GLY A 1 1.011 -5.520 -9.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.568 -6.836 -8.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.053 -6.776 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.665 -4.439 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.679 -5.536 -7.774 1.00 0.00 H new ATOM 10 N SER A 2 0.530 -5.834 -5.542 1.00 0.00 N ATOM 11 CA SER A 2 1.097 -6.334 -4.301 1.00 0.00 C ATOM 12 C SER A 2 0.630 -7.764 -4.024 1.00 0.00 C ATOM 13 O SER A 2 0.091 -8.431 -4.917 1.00 0.00 O ATOM 14 CB SER A 2 0.719 -5.406 -3.148 1.00 0.00 C ATOM 15 OG SER A 2 1.302 -4.124 -3.323 1.00 0.00 O ATOM 0 H SER A 2 -0.327 -5.294 -5.424 1.00 0.00 H new ATOM 0 HA SER A 2 2.183 -6.353 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.365 -5.313 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.053 -5.837 -2.204 1.00 0.00 H new ATOM 0 HG SER A 2 0.935 -3.504 -2.659 1.00 0.00 H new ATOM 21 N VAL A 3 0.825 -8.227 -2.789 1.00 0.00 N ATOM 22 CA VAL A 3 0.449 -9.583 -2.389 1.00 0.00 C ATOM 23 C VAL A 3 0.047 -9.612 -0.913 1.00 0.00 C ATOM 24 O VAL A 3 -0.944 -10.233 -0.546 1.00 0.00 O ATOM 25 CB VAL A 3 1.589 -10.627 -2.631 1.00 0.00 C ATOM 26 CG1 VAL A 3 1.736 -10.945 -4.109 1.00 0.00 C ATOM 27 CG2 VAL A 3 2.913 -10.137 -2.064 1.00 0.00 C ATOM 0 H VAL A 3 1.246 -7.676 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.397 -9.865 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 3 1.309 -11.542 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.535 -11.673 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.801 -11.357 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.978 -10.033 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.686 -10.883 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.191 -9.200 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.812 -9.976 -0.991 1.00 0.00 H new ATOM 37 N GLU A 4 0.803 -8.893 -0.082 1.00 0.00 N ATOM 38 CA GLU A 4 0.564 -8.846 1.330 1.00 0.00 C ATOM 39 C GLU A 4 0.603 -7.376 1.803 1.00 0.00 C ATOM 40 O GLU A 4 -0.246 -6.588 1.393 1.00 0.00 O ATOM 41 CB GLU A 4 1.575 -9.754 2.077 1.00 0.00 C ATOM 42 CG GLU A 4 1.468 -11.237 1.739 1.00 0.00 C ATOM 43 CD GLU A 4 0.237 -11.898 2.324 1.00 0.00 C ATOM 44 OE1 GLU A 4 -0.743 -12.105 1.585 1.00 0.00 O ATOM 45 OE2 GLU A 4 0.249 -12.229 3.519 1.00 0.00 O ATOM 0 H GLU A 4 1.597 -8.331 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.427 -9.237 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.585 -9.415 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.432 -9.628 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.455 -11.355 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.357 -11.751 2.105 1.00 0.00 H new ATOM 52 N LYS A 5 1.596 -7.004 2.624 1.00 0.00 N ATOM 53 CA LYS A 5 1.693 -5.642 3.206 1.00 0.00 C ATOM 54 C LYS A 5 0.429 -5.298 3.991 1.00 0.00 C ATOM 55 O LYS A 5 0.158 -4.132 4.293 1.00 0.00 O ATOM 56 CB LYS A 5 1.949 -4.572 2.138 1.00 0.00 C ATOM 57 CG LYS A 5 3.385 -4.510 1.646 1.00 0.00 C ATOM 58 CD LYS A 5 3.670 -3.187 0.948 1.00 0.00 C ATOM 59 CE LYS A 5 2.825 -3.011 -0.302 1.00 0.00 C ATOM 60 NZ LYS A 5 3.229 -3.938 -1.383 1.00 0.00 N ATOM 0 H LYS A 5 2.352 -7.627 2.906 1.00 0.00 H new ATOM 0 HA LYS A 5 2.548 -5.648 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.294 -4.760 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.674 -3.598 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.066 -4.635 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.573 -5.335 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.475 -2.364 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.726 -3.137 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.776 -3.177 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.911 -1.983 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.672 -3.738 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.240 -3.810 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.059 -4.919 -1.081 1.00 0.00 H new ATOM 74 N LEU A 6 -0.309 -6.324 4.347 1.00 0.00 N ATOM 75 CA LEU A 6 -1.569 -6.169 5.042 1.00 0.00 C ATOM 76 C LEU A 6 -1.591 -7.037 6.272 1.00 0.00 C ATOM 77 O LEU A 6 -2.427 -6.856 7.158 1.00 0.00 O ATOM 78 CB LEU A 6 -2.743 -6.537 4.125 1.00 0.00 C ATOM 79 CG LEU A 6 -2.893 -5.700 2.849 1.00 0.00 C ATOM 80 CD1 LEU A 6 -4.062 -6.201 2.016 1.00 0.00 C ATOM 81 CD2 LEU A 6 -3.071 -4.228 3.190 1.00 0.00 C ATOM 0 H LEU A 6 -0.053 -7.294 4.163 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.672 -5.125 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.639 -7.583 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.666 -6.454 4.700 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.981 -5.807 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.153 -5.595 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.891 -7.241 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.981 -6.127 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.176 -3.652 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.965 -4.102 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.200 -3.875 3.743 1.00 0.00 H new ATOM 93 N THR A 7 -0.670 -7.979 6.337 1.00 0.00 N ATOM 94 CA THR A 7 -0.587 -8.857 7.402 1.00 0.00 C ATOM 95 C THR A 7 0.626 -8.479 8.223 1.00 0.00 C ATOM 96 O THR A 7 1.231 -7.431 7.989 1.00 0.00 O ATOM 97 CB THR A 7 -0.527 -10.335 6.912 1.00 0.00 C ATOM 98 OG1 THR A 7 0.778 -10.636 6.406 1.00 0.00 O ATOM 99 CG2 THR A 7 -1.549 -10.567 5.802 1.00 0.00 C ATOM 0 H THR A 7 0.038 -8.127 5.618 1.00 0.00 H new ATOM 0 HA THR A 7 -1.480 -8.784 8.022 1.00 0.00 H new ATOM 0 HB THR A 7 -0.752 -10.983 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.009 -9.999 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.496 -11.604 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.550 -10.358 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.332 -9.905 4.963 1.00 0.00 H new ATOM 107 N ALA A 8 0.956 -9.294 9.179 1.00 0.00 N ATOM 108 CA ALA A 8 2.095 -9.047 10.070 1.00 0.00 C ATOM 109 C ALA A 8 3.380 -8.951 9.270 1.00 0.00 C ATOM 110 O ALA A 8 4.409 -8.513 9.777 1.00 0.00 O ATOM 111 CB ALA A 8 2.213 -10.136 11.134 1.00 0.00 C ATOM 0 H ALA A 8 0.453 -10.158 9.380 1.00 0.00 H new ATOM 0 HA ALA A 8 1.923 -8.098 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.066 -9.924 11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.303 -10.159 11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.354 -11.103 10.651 1.00 0.00 H new ATOM 117 N ASP A 9 3.302 -9.354 8.007 1.00 0.00 N ATOM 118 CA ASP A 9 4.423 -9.249 7.100 1.00 0.00 C ATOM 119 C ASP A 9 4.804 -7.785 6.963 1.00 0.00 C ATOM 120 O ASP A 9 5.979 -7.447 6.811 1.00 0.00 O ATOM 121 CB ASP A 9 4.084 -9.840 5.712 1.00 0.00 C ATOM 122 CG ASP A 9 3.240 -8.909 4.844 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.026 -8.741 5.133 1.00 0.00 O ATOM 124 OD2 ASP A 9 3.788 -8.351 3.860 1.00 0.00 O ATOM 0 H ASP A 9 2.463 -9.759 7.592 1.00 0.00 H new ATOM 0 HA ASP A 9 5.258 -9.821 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.011 -10.071 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.551 -10.781 5.847 1.00 0.00 H new ATOM 129 N ALA A 10 3.791 -6.907 7.032 1.00 0.00 N ATOM 130 CA ALA A 10 4.034 -5.456 6.958 1.00 0.00 C ATOM 131 C ALA A 10 4.884 -4.974 8.132 1.00 0.00 C ATOM 132 O ALA A 10 5.675 -4.035 7.998 1.00 0.00 O ATOM 133 CB ALA A 10 2.719 -4.677 6.902 1.00 0.00 C ATOM 0 H ALA A 10 2.811 -7.169 7.137 1.00 0.00 H new ATOM 0 HA ALA A 10 4.585 -5.267 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.931 -3.609 6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.154 -4.980 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.134 -4.886 7.798 1.00 0.00 H new ATOM 139 N GLU A 11 4.737 -5.636 9.273 1.00 0.00 N ATOM 140 CA GLU A 11 5.494 -5.277 10.474 1.00 0.00 C ATOM 141 C GLU A 11 6.958 -5.641 10.276 1.00 0.00 C ATOM 142 O GLU A 11 7.861 -4.869 10.607 1.00 0.00 O ATOM 143 CB GLU A 11 4.932 -6.007 11.711 1.00 0.00 C ATOM 144 CG GLU A 11 5.560 -5.578 13.023 1.00 0.00 C ATOM 145 CD GLU A 11 5.269 -4.134 13.350 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.213 -3.860 13.959 1.00 0.00 O ATOM 147 OE2 GLU A 11 6.089 -3.269 13.005 1.00 0.00 O ATOM 0 H GLU A 11 4.102 -6.425 9.396 1.00 0.00 H new ATOM 0 HA GLU A 11 5.403 -4.204 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.857 -5.836 11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.079 -7.080 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.187 -6.213 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.639 -5.727 12.973 1.00 0.00 H new ATOM 154 N LEU A 12 7.175 -6.821 9.707 1.00 0.00 N ATOM 155 CA LEU A 12 8.524 -7.322 9.416 1.00 0.00 C ATOM 156 C LEU A 12 9.270 -6.341 8.520 1.00 0.00 C ATOM 157 O LEU A 12 10.453 -6.053 8.734 1.00 0.00 O ATOM 158 CB LEU A 12 8.456 -8.705 8.725 1.00 0.00 C ATOM 159 CG LEU A 12 8.198 -9.940 9.623 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.150 -9.663 10.691 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.761 -11.114 8.765 1.00 0.00 C ATOM 0 H LEU A 12 6.428 -7.459 9.433 1.00 0.00 H new ATOM 0 HA LEU A 12 9.058 -7.425 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.669 -8.666 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.396 -8.864 8.196 1.00 0.00 H new ATOM 0 HG LEU A 12 9.131 -10.178 10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.002 -10.557 11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.487 -8.845 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.209 -9.388 10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.580 -11.981 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.845 -10.856 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.544 -11.349 8.044 1.00 0.00 H new ATOM 173 N GLN A 13 8.559 -5.820 7.527 1.00 0.00 N ATOM 174 CA GLN A 13 9.124 -4.867 6.584 1.00 0.00 C ATOM 175 C GLN A 13 9.573 -3.594 7.288 1.00 0.00 C ATOM 176 O GLN A 13 10.685 -3.118 7.065 1.00 0.00 O ATOM 177 CB GLN A 13 8.109 -4.526 5.496 1.00 0.00 C ATOM 178 CG GLN A 13 7.686 -5.716 4.657 1.00 0.00 C ATOM 179 CD GLN A 13 6.653 -5.353 3.613 1.00 0.00 C ATOM 180 OE1 GLN A 13 6.617 -4.226 3.119 1.00 0.00 O ATOM 181 NE2 GLN A 13 5.807 -6.296 3.276 1.00 0.00 N ATOM 0 H GLN A 13 7.579 -6.046 7.355 1.00 0.00 H new ATOM 0 HA GLN A 13 9.997 -5.333 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.225 -4.089 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.534 -3.765 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.562 -6.139 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.282 -6.490 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.871 -7.217 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.085 -6.109 2.580 1.00 0.00 H new ATOM 190 N ARG A 14 8.716 -3.059 8.154 1.00 0.00 N ATOM 191 CA ARG A 14 9.029 -1.811 8.865 1.00 0.00 C ATOM 192 C ARG A 14 10.219 -1.995 9.800 1.00 0.00 C ATOM 193 O ARG A 14 11.086 -1.135 9.881 1.00 0.00 O ATOM 194 CB ARG A 14 7.822 -1.287 9.663 1.00 0.00 C ATOM 195 CG ARG A 14 8.101 0.037 10.368 1.00 0.00 C ATOM 196 CD ARG A 14 6.940 0.471 11.246 1.00 0.00 C ATOM 197 NE ARG A 14 6.672 -0.489 12.320 1.00 0.00 N ATOM 198 CZ ARG A 14 6.602 -0.180 13.620 1.00 0.00 C ATOM 199 NH1 ARG A 14 6.798 1.069 14.031 1.00 0.00 N ATOM 200 NH2 ARG A 14 6.336 -1.127 14.498 1.00 0.00 N ATOM 0 H ARG A 14 7.807 -3.461 8.383 1.00 0.00 H new ATOM 0 HA ARG A 14 9.283 -1.073 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.975 -1.161 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.532 -2.032 10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.000 -0.059 10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.301 0.808 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.159 1.447 11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.046 0.587 10.633 1.00 0.00 H new ATOM 0 HE ARG A 14 6.528 -1.464 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.004 1.803 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.742 1.294 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.186 -2.086 14.184 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.281 -0.901 15.491 1.00 0.00 H new ATOM 214 N LEU A 15 10.256 -3.122 10.489 1.00 0.00 N ATOM 215 CA LEU A 15 11.333 -3.406 11.446 1.00 0.00 C ATOM 216 C LEU A 15 12.683 -3.443 10.749 1.00 0.00 C ATOM 217 O LEU A 15 13.662 -2.863 11.222 1.00 0.00 O ATOM 218 CB LEU A 15 11.091 -4.732 12.176 1.00 0.00 C ATOM 219 CG LEU A 15 9.806 -4.821 13.002 1.00 0.00 C ATOM 220 CD1 LEU A 15 9.726 -6.156 13.719 1.00 0.00 C ATOM 221 CD2 LEU A 15 9.716 -3.668 13.996 1.00 0.00 C ATOM 0 H LEU A 15 9.557 -3.861 10.410 1.00 0.00 H new ATOM 0 HA LEU A 15 11.336 -2.600 12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.080 -5.533 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.937 -4.919 12.837 1.00 0.00 H new ATOM 0 HG LEU A 15 8.958 -4.745 12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.806 -6.202 14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.732 -6.963 12.987 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.582 -6.263 14.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.794 -3.754 14.571 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.570 -3.703 14.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.720 -2.721 13.456 1.00 0.00 H new ATOM 233 N LYS A 16 12.722 -4.108 9.615 1.00 0.00 N ATOM 234 CA LYS A 16 13.965 -4.218 8.852 1.00 0.00 C ATOM 235 C LYS A 16 14.308 -2.884 8.194 1.00 0.00 C ATOM 236 O LYS A 16 15.468 -2.468 8.168 1.00 0.00 O ATOM 237 CB LYS A 16 13.891 -5.337 7.802 1.00 0.00 C ATOM 238 CG LYS A 16 15.204 -5.551 7.048 1.00 0.00 C ATOM 239 CD LYS A 16 15.164 -6.778 6.134 1.00 0.00 C ATOM 240 CE LYS A 16 14.395 -6.530 4.835 1.00 0.00 C ATOM 241 NZ LYS A 16 12.940 -6.332 5.053 1.00 0.00 N ATOM 0 H LYS A 16 11.920 -4.580 9.197 1.00 0.00 H new ATOM 0 HA LYS A 16 14.759 -4.478 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.607 -6.268 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.104 -5.101 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.425 -4.666 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.017 -5.663 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.184 -7.079 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.704 -7.608 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.806 -5.651 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.545 -7.375 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.408 -6.802 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.668 -6.741 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.724 -5.315 5.049 1.00 0.00 H new ATOM 255 N ASN A 17 13.289 -2.200 7.699 1.00 0.00 N ATOM 256 CA ASN A 17 13.482 -0.897 7.052 1.00 0.00 C ATOM 257 C ASN A 17 13.975 0.123 8.072 1.00 0.00 C ATOM 258 O ASN A 17 14.791 0.992 7.760 1.00 0.00 O ATOM 259 CB ASN A 17 12.185 -0.404 6.386 1.00 0.00 C ATOM 260 CG ASN A 17 12.371 0.914 5.662 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.164 1.984 6.231 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.766 0.845 4.403 1.00 0.00 N ATOM 0 H ASN A 17 12.320 -2.518 7.729 1.00 0.00 H new ATOM 0 HA ASN A 17 14.233 -1.014 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.834 -1.157 5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.410 -0.292 7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.910 1.700 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.927 -0.063 3.968 1.00 0.00 H new ATOM 269 N GLU A 18 13.488 -0.008 9.297 1.00 0.00 N ATOM 270 CA GLU A 18 13.891 0.851 10.397 1.00 0.00 C ATOM 271 C GLU A 18 15.397 0.731 10.630 1.00 0.00 C ATOM 272 O GLU A 18 16.072 1.707 10.958 1.00 0.00 O ATOM 273 CB GLU A 18 13.128 0.453 11.669 1.00 0.00 C ATOM 274 CG GLU A 18 13.292 1.413 12.835 1.00 0.00 C ATOM 275 CD GLU A 18 12.698 2.775 12.554 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.468 3.731 12.327 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.464 2.899 12.559 1.00 0.00 O ATOM 0 H GLU A 18 12.800 -0.716 9.555 1.00 0.00 H new ATOM 0 HA GLU A 18 13.656 1.886 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.068 0.372 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.461 -0.537 11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.817 0.989 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.352 1.523 13.064 1.00 0.00 H new ATOM 284 N ARG A 19 15.922 -0.476 10.438 1.00 0.00 N ATOM 285 CA ARG A 19 17.348 -0.723 10.623 1.00 0.00 C ATOM 286 C ARG A 19 18.168 -0.006 9.554 1.00 0.00 C ATOM 287 O ARG A 19 19.305 0.386 9.795 1.00 0.00 O ATOM 288 CB ARG A 19 17.649 -2.224 10.629 1.00 0.00 C ATOM 289 CG ARG A 19 16.819 -3.004 11.639 1.00 0.00 C ATOM 290 CD ARG A 19 16.897 -2.382 13.027 1.00 0.00 C ATOM 291 NE ARG A 19 15.954 -3.003 13.956 1.00 0.00 N ATOM 292 CZ ARG A 19 15.284 -2.340 14.902 1.00 0.00 C ATOM 293 NH1 ARG A 19 15.460 -1.030 15.060 1.00 0.00 N ATOM 294 NH2 ARG A 19 14.439 -2.988 15.690 1.00 0.00 N ATOM 0 H ARG A 19 15.384 -1.295 10.156 1.00 0.00 H new ATOM 0 HA ARG A 19 17.635 -0.320 11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.468 -2.627 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.707 -2.374 10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.780 -3.035 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.170 -4.035 11.681 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.910 -2.486 13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.689 -1.314 12.959 1.00 0.00 H new ATOM 0 HE ARG A 19 15.798 -4.008 13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.110 -0.526 14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.945 -0.530 15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.301 -3.992 15.574 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.927 -2.483 16.413 1.00 0.00 H new ATOM 308 N HIS A 20 17.582 0.168 8.374 1.00 0.00 N ATOM 309 CA HIS A 20 18.244 0.925 7.303 1.00 0.00 C ATOM 310 C HIS A 20 18.529 2.350 7.779 1.00 0.00 C ATOM 311 O HIS A 20 19.630 2.875 7.587 1.00 0.00 O ATOM 312 CB HIS A 20 17.391 0.960 6.022 1.00 0.00 C ATOM 313 CG HIS A 20 17.308 -0.349 5.289 1.00 0.00 C ATOM 314 ND1 HIS A 20 17.067 -1.605 5.733 1.00 0.00 N flip ATOM 315 CD2 HIS A 20 17.459 -0.454 3.923 1.00 0.00 C flip ATOM 316 CE1 HIS A 20 17.075 -2.433 4.637 1.00 0.00 C flip ATOM 317 NE2 HIS A 20 17.314 -1.710 3.558 1.00 0.00 N flip ATOM 0 H HIS A 20 16.661 -0.198 8.131 1.00 0.00 H new ATOM 0 HA HIS A 20 19.181 0.422 7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.382 1.280 6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.801 1.713 5.349 1.00 0.00 H new ATOM 0 HD1 HIS A 20 16.909 -1.884 6.701 1.00 0.00 H new ATOM 0 HD2 HIS A 20 17.665 0.369 3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.912 -3.501 4.655 1.00 0.00 H new ATOM 325 N GLU A 21 17.532 2.956 8.427 1.00 0.00 N ATOM 326 CA GLU A 21 17.672 4.311 8.986 1.00 0.00 C ATOM 327 C GLU A 21 18.676 4.301 10.139 1.00 0.00 C ATOM 328 O GLU A 21 19.394 5.279 10.371 1.00 0.00 O ATOM 329 CB GLU A 21 16.311 4.842 9.485 1.00 0.00 C ATOM 330 CG GLU A 21 16.363 6.255 10.054 1.00 0.00 C ATOM 331 CD GLU A 21 15.054 6.673 10.692 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.076 6.907 9.954 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.994 6.770 11.938 1.00 0.00 O ATOM 0 H GLU A 21 16.616 2.533 8.580 1.00 0.00 H new ATOM 0 HA GLU A 21 18.034 4.970 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.600 4.821 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.929 4.167 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.160 6.316 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.615 6.955 9.257 1.00 0.00 H new ATOM 340 N GLU A 22 18.730 3.178 10.841 1.00 0.00 N ATOM 341 CA GLU A 22 19.637 3.012 11.975 1.00 0.00 C ATOM 342 C GLU A 22 21.086 3.068 11.503 1.00 0.00 C ATOM 343 O GLU A 22 21.899 3.810 12.060 1.00 0.00 O ATOM 344 CB GLU A 22 19.358 1.684 12.713 1.00 0.00 C ATOM 345 CG GLU A 22 20.261 1.426 13.910 1.00 0.00 C ATOM 346 CD GLU A 22 20.123 2.475 14.988 1.00 0.00 C ATOM 347 OE1 GLU A 22 21.159 3.019 15.433 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.977 2.758 15.408 1.00 0.00 O ATOM 0 H GLU A 22 18.152 2.360 10.645 1.00 0.00 H new ATOM 0 HA GLU A 22 19.465 3.830 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.321 1.680 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.467 0.861 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.028 0.448 14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.298 1.390 13.575 1.00 0.00 H new ATOM 355 N ALA A 23 21.404 2.297 10.458 1.00 0.00 N ATOM 356 CA ALA A 23 22.764 2.268 9.902 1.00 0.00 C ATOM 357 C ALA A 23 23.172 3.633 9.356 1.00 0.00 C ATOM 358 O ALA A 23 24.361 3.945 9.270 1.00 0.00 O ATOM 359 CB ALA A 23 22.890 1.203 8.810 1.00 0.00 C ATOM 0 H ALA A 23 20.742 1.686 9.980 1.00 0.00 H new ATOM 0 HA ALA A 23 23.441 2.011 10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.906 1.204 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.664 0.223 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.189 1.423 8.005 1.00 0.00 H new ATOM 365 N GLU A 24 22.185 4.447 9.003 1.00 0.00 N ATOM 366 CA GLU A 24 22.460 5.784 8.490 1.00 0.00 C ATOM 367 C GLU A 24 22.993 6.673 9.609 1.00 0.00 C ATOM 368 O GLU A 24 24.049 7.292 9.475 1.00 0.00 O ATOM 369 CB GLU A 24 21.213 6.410 7.849 1.00 0.00 C ATOM 370 CG GLU A 24 20.771 5.729 6.568 1.00 0.00 C ATOM 371 CD GLU A 24 21.832 5.781 5.491 1.00 0.00 C ATOM 372 OE1 GLU A 24 22.014 6.850 4.875 1.00 0.00 O ATOM 373 OE2 GLU A 24 22.496 4.753 5.253 1.00 0.00 O ATOM 0 H GLU A 24 21.195 4.208 9.061 1.00 0.00 H new ATOM 0 HA GLU A 24 23.219 5.698 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.393 6.379 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.413 7.461 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.523 4.689 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.862 6.205 6.202 1.00 0.00 H new ATOM 380 N LEU A 25 22.263 6.716 10.720 1.00 0.00 N ATOM 381 CA LEU A 25 22.675 7.495 11.881 1.00 0.00 C ATOM 382 C LEU A 25 23.958 6.926 12.475 1.00 0.00 C ATOM 383 O LEU A 25 24.822 7.663 12.941 1.00 0.00 O ATOM 384 CB LEU A 25 21.566 7.509 12.930 1.00 0.00 C ATOM 385 CG LEU A 25 20.239 8.123 12.481 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.213 8.034 13.591 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.434 9.571 12.050 1.00 0.00 C ATOM 0 H LEU A 25 21.381 6.218 10.840 1.00 0.00 H new ATOM 0 HA LEU A 25 22.866 8.519 11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.381 6.484 13.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.922 8.057 13.802 1.00 0.00 H new ATOM 0 HG LEU A 25 19.873 7.558 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.275 8.475 13.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.049 6.988 13.852 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.575 8.574 14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.478 9.989 11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.825 10.150 12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.139 9.612 11.220 1.00 0.00 H new ATOM 399 N GLU A 26 24.053 5.610 12.482 1.00 0.00 N ATOM 400 CA GLU A 26 25.257 4.938 12.947 1.00 0.00 C ATOM 401 C GLU A 26 26.474 5.381 12.128 1.00 0.00 C ATOM 402 O GLU A 26 27.521 5.712 12.687 1.00 0.00 O ATOM 403 CB GLU A 26 25.102 3.427 12.883 1.00 0.00 C ATOM 404 CG GLU A 26 26.287 2.681 13.461 1.00 0.00 C ATOM 405 CD GLU A 26 26.111 1.193 13.408 1.00 0.00 C ATOM 406 OE1 GLU A 26 26.562 0.575 12.424 1.00 0.00 O ATOM 407 OE2 GLU A 26 25.516 0.629 14.350 1.00 0.00 O ATOM 0 H GLU A 26 23.312 4.982 12.171 1.00 0.00 H new ATOM 0 HA GLU A 26 25.414 5.220 13.988 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.200 3.137 13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 24.963 3.126 11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.188 2.957 12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.436 2.989 14.496 1.00 0.00 H new ATOM 414 N ARG A 27 26.323 5.412 10.805 1.00 0.00 N ATOM 415 CA ARG A 27 27.414 5.845 9.925 1.00 0.00 C ATOM 416 C ARG A 27 27.731 7.316 10.166 1.00 0.00 C ATOM 417 O ARG A 27 28.864 7.759 9.980 1.00 0.00 O ATOM 418 CB ARG A 27 27.072 5.614 8.444 1.00 0.00 C ATOM 419 CG ARG A 27 28.219 5.933 7.495 1.00 0.00 C ATOM 420 CD ARG A 27 27.836 5.683 6.047 1.00 0.00 C ATOM 421 NE ARG A 27 26.809 6.615 5.579 1.00 0.00 N ATOM 422 CZ ARG A 27 25.536 6.285 5.342 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.113 5.039 5.543 1.00 0.00 N ATOM 424 NH2 ARG A 27 24.687 7.203 4.897 1.00 0.00 N ATOM 0 H ARG A 27 25.466 5.146 10.320 1.00 0.00 H new ATOM 0 HA ARG A 27 28.291 5.243 10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.777 4.574 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.211 6.228 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.515 6.975 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 27 29.085 5.323 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 28.721 5.774 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.473 4.661 5.940 1.00 0.00 H new ATOM 0 HE ARG A 27 27.084 7.585 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.762 4.328 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.140 4.795 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.007 8.158 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.715 6.953 4.715 1.00 0.00 H new ATOM 438 N LEU A 28 26.731 8.053 10.623 1.00 0.00 N ATOM 439 CA LEU A 28 26.897 9.471 10.923 1.00 0.00 C ATOM 440 C LEU A 28 27.812 9.630 12.135 1.00 0.00 C ATOM 441 O LEU A 28 28.553 10.606 12.251 1.00 0.00 O ATOM 442 CB LEU A 28 25.533 10.143 11.191 1.00 0.00 C ATOM 443 CG LEU A 28 25.570 11.644 11.479 1.00 0.00 C ATOM 444 CD1 LEU A 28 26.064 12.410 10.267 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.195 12.139 11.903 1.00 0.00 C ATOM 0 H LEU A 28 25.792 7.694 10.796 1.00 0.00 H new ATOM 0 HA LEU A 28 27.348 9.961 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.891 9.975 10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 28 25.064 9.642 12.038 1.00 0.00 H new ATOM 0 HG LEU A 28 26.266 11.819 12.299 1.00 0.00 H new ATOM 0 HD11 LEU A 28 26.083 13.476 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 27.069 12.076 10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.396 12.229 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.240 13.209 12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.478 11.949 11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.881 11.613 12.805 1.00 0.00 H new ATOM 457 N LYS A 29 27.776 8.638 13.018 1.00 0.00 N ATOM 458 CA LYS A 29 28.602 8.645 14.212 1.00 0.00 C ATOM 459 C LYS A 29 30.006 8.169 13.877 1.00 0.00 C ATOM 460 O LYS A 29 30.964 8.484 14.578 1.00 0.00 O ATOM 461 CB LYS A 29 28.009 7.737 15.292 1.00 0.00 C ATOM 462 CG LYS A 29 26.594 8.089 15.711 1.00 0.00 C ATOM 463 CD LYS A 29 26.135 7.201 16.854 1.00 0.00 C ATOM 464 CE LYS A 29 24.707 7.508 17.269 1.00 0.00 C ATOM 465 NZ LYS A 29 23.735 7.211 16.188 1.00 0.00 N ATOM 0 H LYS A 29 27.179 7.816 12.925 1.00 0.00 H new ATOM 0 HA LYS A 29 28.639 9.667 14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.021 6.709 14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.653 7.773 16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.549 9.135 16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.919 7.975 14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.210 6.156 16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.799 7.336 17.708 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.454 6.924 18.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.629 8.559 17.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.770 7.222 16.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.816 7.930 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.937 6.272 15.788 1.00 0.00 H new ATOM 479 N SER A 30 30.126 7.430 12.785 1.00 0.00 N ATOM 480 CA SER A 30 31.401 6.888 12.374 1.00 0.00 C ATOM 481 C SER A 30 32.192 7.945 11.615 1.00 0.00 C ATOM 482 O SER A 30 33.367 8.187 11.899 1.00 0.00 O ATOM 483 CB SER A 30 31.184 5.653 11.496 1.00 0.00 C ATOM 484 OG SER A 30 30.286 4.737 12.112 1.00 0.00 O ATOM 0 H SER A 30 29.349 7.194 12.168 1.00 0.00 H new ATOM 0 HA SER A 30 31.967 6.594 13.258 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.790 5.957 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 30 32.139 5.162 11.312 1.00 0.00 H new ATOM 0 HG SER A 30 29.386 5.125 12.134 1.00 0.00 H new ATOM 490 N GLU A 31 31.523 8.598 10.668 1.00 0.00 N ATOM 491 CA GLU A 31 32.138 9.642 9.864 1.00 0.00 C ATOM 492 C GLU A 31 32.660 10.776 10.734 1.00 0.00 C ATOM 493 O GLU A 31 33.810 11.176 10.615 1.00 0.00 O ATOM 494 CB GLU A 31 31.143 10.184 8.838 1.00 0.00 C ATOM 495 CG GLU A 31 30.820 9.207 7.722 1.00 0.00 C ATOM 496 CD GLU A 31 32.046 8.838 6.916 1.00 0.00 C ATOM 497 OE1 GLU A 31 32.494 7.677 7.002 1.00 0.00 O ATOM 498 OE2 GLU A 31 32.576 9.712 6.206 1.00 0.00 O ATOM 0 H GLU A 31 30.545 8.417 10.440 1.00 0.00 H new ATOM 0 HA GLU A 31 32.985 9.200 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.219 10.455 9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.546 11.098 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.381 8.304 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 31 30.071 9.646 7.062 1.00 0.00 H new ATOM 505 N ARG A 32 31.826 11.255 11.644 1.00 0.00 N ATOM 506 CA ARG A 32 32.196 12.372 12.509 1.00 0.00 C ATOM 507 C ARG A 32 33.325 11.993 13.459 1.00 0.00 C ATOM 508 O ARG A 32 34.022 12.853 13.984 1.00 0.00 O ATOM 509 CB ARG A 32 30.984 12.880 13.284 1.00 0.00 C ATOM 510 CG ARG A 32 29.939 13.528 12.399 1.00 0.00 C ATOM 511 CD ARG A 32 28.764 14.040 13.200 1.00 0.00 C ATOM 512 NE ARG A 32 27.786 14.723 12.353 1.00 0.00 N ATOM 513 CZ ARG A 32 26.745 15.407 12.815 1.00 0.00 C ATOM 514 NH1 ARG A 32 26.541 15.504 14.125 1.00 0.00 N ATOM 515 NH2 ARG A 32 25.911 15.997 11.968 1.00 0.00 N ATOM 0 H ARG A 32 30.887 10.890 11.805 1.00 0.00 H new ATOM 0 HA ARG A 32 32.559 13.178 11.871 1.00 0.00 H new ATOM 0 HB2 ARG A 32 30.530 12.048 13.822 1.00 0.00 H new ATOM 0 HB3 ARG A 32 31.315 13.601 14.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 30.390 14.353 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 32 29.589 12.806 11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.283 13.207 13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 32 29.120 14.725 13.970 1.00 0.00 H new ATOM 0 HE ARG A 32 27.912 14.671 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.184 15.053 14.776 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.742 16.029 14.479 1.00 0.00 H new ATOM 0 HH21 ARG A 32 26.069 15.925 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.112 16.522 12.322 1.00 0.00 H new ATOM 529 N HIS A 33 33.491 10.709 13.677 1.00 0.00 N ATOM 530 CA HIS A 33 34.542 10.205 14.540 1.00 0.00 C ATOM 531 C HIS A 33 35.869 10.095 13.782 1.00 0.00 C ATOM 532 O HIS A 33 36.919 10.523 14.270 1.00 0.00 O ATOM 533 CB HIS A 33 34.139 8.829 15.101 1.00 0.00 C ATOM 534 CG HIS A 33 35.235 8.113 15.837 1.00 0.00 C ATOM 535 ND1 HIS A 33 36.022 7.137 15.255 1.00 0.00 N ATOM 536 CD2 HIS A 33 35.674 8.234 17.111 1.00 0.00 C ATOM 537 CE1 HIS A 33 36.891 6.691 16.133 1.00 0.00 C ATOM 538 NE2 HIS A 33 36.706 7.339 17.270 1.00 0.00 N ATOM 0 H HIS A 33 32.905 9.984 13.264 1.00 0.00 H new ATOM 0 HA HIS A 33 34.679 10.906 15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.291 8.959 15.774 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.800 8.200 14.278 1.00 0.00 H new ATOM 0 HD1 HIS A 33 35.940 6.813 14.291 1.00 0.00 H new ATOM 0 HD2 HIS A 33 35.287 8.907 17.862 1.00 0.00 H new ATOM 0 HE1 HIS A 33 37.631 5.925 15.956 1.00 0.00 H new ATOM 546 N ASP A 34 35.811 9.526 12.593 1.00 0.00 N ATOM 547 CA ASP A 34 37.018 9.248 11.812 1.00 0.00 C ATOM 548 C ASP A 34 37.456 10.377 10.887 1.00 0.00 C ATOM 549 O ASP A 34 38.543 10.320 10.332 1.00 0.00 O ATOM 550 CB ASP A 34 36.912 7.923 11.056 1.00 0.00 C ATOM 551 CG ASP A 34 37.126 6.740 11.976 1.00 0.00 C ATOM 552 OD1 ASP A 34 36.181 6.356 12.696 1.00 0.00 O ATOM 553 OD2 ASP A 34 38.253 6.201 12.000 1.00 0.00 O ATOM 0 H ASP A 34 34.942 9.244 12.139 1.00 0.00 H new ATOM 0 HA ASP A 34 37.811 9.164 12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.931 7.848 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 34 37.650 7.900 10.255 1.00 0.00 H new ATOM 558 N HIS A 35 36.630 11.400 10.720 1.00 0.00 N ATOM 559 CA HIS A 35 37.007 12.523 9.831 1.00 0.00 C ATOM 560 C HIS A 35 38.199 13.296 10.389 1.00 0.00 C ATOM 561 O HIS A 35 38.985 13.875 9.635 1.00 0.00 O ATOM 562 CB HIS A 35 35.835 13.484 9.561 1.00 0.00 C ATOM 563 CG HIS A 35 34.868 12.991 8.525 1.00 0.00 C ATOM 564 ND1 HIS A 35 33.711 13.659 8.203 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.890 11.888 7.737 1.00 0.00 C ATOM 566 CE1 HIS A 35 33.062 12.992 7.266 1.00 0.00 C ATOM 567 NE2 HIS A 35 33.756 11.914 6.965 1.00 0.00 N ATOM 0 H HIS A 35 35.718 11.489 11.167 1.00 0.00 H new ATOM 0 HA HIS A 35 37.290 12.074 8.879 1.00 0.00 H new ATOM 0 HB2 HIS A 35 35.297 13.655 10.493 1.00 0.00 H new ATOM 0 HB3 HIS A 35 36.234 14.447 9.242 1.00 0.00 H new ATOM 0 HD2 HIS A 35 35.658 11.129 7.720 1.00 0.00 H new ATOM 0 HE1 HIS A 35 32.121 13.282 6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 35 33.494 11.213 6.272 1.00 0.00 H new ATOM 575 N ASP A 36 38.331 13.296 11.708 1.00 0.00 N ATOM 576 CA ASP A 36 39.440 13.987 12.370 1.00 0.00 C ATOM 577 C ASP A 36 40.724 13.173 12.266 1.00 0.00 C ATOM 578 O ASP A 36 41.813 13.723 12.131 1.00 0.00 O ATOM 579 CB ASP A 36 39.121 14.257 13.848 1.00 0.00 C ATOM 580 CG ASP A 36 37.937 15.182 14.040 1.00 0.00 C ATOM 581 OD1 ASP A 36 38.150 16.386 14.314 1.00 0.00 O ATOM 582 OD2 ASP A 36 36.788 14.711 13.931 1.00 0.00 O ATOM 0 H ASP A 36 37.687 12.827 12.345 1.00 0.00 H new ATOM 0 HA ASP A 36 39.580 14.941 11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.920 13.310 14.349 1.00 0.00 H new ATOM 0 HB3 ASP A 36 39.997 14.693 14.329 1.00 0.00 H new ATOM 587 N LYS A 37 40.577 11.861 12.307 1.00 0.00 N ATOM 588 CA LYS A 37 41.713 10.940 12.249 1.00 0.00 C ATOM 589 C LYS A 37 41.817 10.314 10.862 1.00 0.00 C ATOM 590 O LYS A 37 42.266 9.177 10.705 1.00 0.00 O ATOM 591 CB LYS A 37 41.552 9.845 13.318 1.00 0.00 C ATOM 592 CG LYS A 37 40.213 9.120 13.257 1.00 0.00 C ATOM 593 CD LYS A 37 40.066 8.079 14.365 1.00 0.00 C ATOM 594 CE LYS A 37 41.023 6.903 14.185 1.00 0.00 C ATOM 595 NZ LYS A 37 40.797 6.183 12.901 1.00 0.00 N ATOM 0 H LYS A 37 39.671 11.398 12.381 1.00 0.00 H new ATOM 0 HA LYS A 37 42.630 11.496 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 37 42.355 9.117 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 37 41.667 10.293 14.305 1.00 0.00 H new ATOM 0 HG2 LYS A 37 39.405 9.847 13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 37 40.110 8.632 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 37 40.251 8.550 15.330 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.040 7.711 14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 37 42.051 7.265 14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 40.901 6.208 15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 41.333 5.292 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 39.783 5.977 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 41.116 6.777 12.109 1.00 0.00 H new ATOM 609 N LYS A 38 41.413 11.070 9.862 1.00 0.00 N ATOM 610 CA LYS A 38 41.420 10.584 8.490 1.00 0.00 C ATOM 611 C LYS A 38 42.813 10.711 7.862 1.00 0.00 C ATOM 612 O LYS A 38 43.224 9.866 7.060 1.00 0.00 O ATOM 613 CB LYS A 38 40.369 11.326 7.646 1.00 0.00 C ATOM 614 CG LYS A 38 40.204 10.774 6.244 1.00 0.00 C ATOM 615 CD LYS A 38 39.131 11.521 5.474 1.00 0.00 C ATOM 616 CE LYS A 38 39.024 11.014 4.045 1.00 0.00 C ATOM 617 NZ LYS A 38 40.287 11.207 3.289 1.00 0.00 N ATOM 0 H LYS A 38 41.074 12.026 9.970 1.00 0.00 H new ATOM 0 HA LYS A 38 41.160 9.526 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.408 11.281 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.647 12.378 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.152 10.845 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.946 9.716 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 38 38.171 11.404 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 39.360 12.587 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 38 38.766 9.955 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 38 38.214 11.535 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 40.098 11.124 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.673 12.151 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.976 10.482 3.573 1.00 0.00 H new ATOM 631 N GLU A 39 43.543 11.751 8.235 1.00 0.00 N ATOM 632 CA GLU A 39 44.875 11.969 7.689 1.00 0.00 C ATOM 633 C GLU A 39 45.769 12.723 8.677 1.00 0.00 C ATOM 634 O GLU A 39 46.544 12.113 9.420 1.00 0.00 O ATOM 635 CB GLU A 39 44.789 12.741 6.359 1.00 0.00 C ATOM 636 CG GLU A 39 46.131 13.030 5.706 1.00 0.00 C ATOM 637 CD GLU A 39 46.767 11.807 5.094 1.00 0.00 C ATOM 638 OE1 GLU A 39 47.234 10.931 5.847 1.00 0.00 O ATOM 639 OE2 GLU A 39 46.822 11.727 3.852 1.00 0.00 O ATOM 0 H GLU A 39 43.239 12.454 8.909 1.00 0.00 H new ATOM 0 HA GLU A 39 45.323 10.992 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 39 44.176 12.170 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 39 44.275 13.686 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 39 45.997 13.787 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 39 46.808 13.450 6.450 1.00 0.00 H new ATOM 646 N ALA A 40 45.614 14.045 8.697 1.00 0.00 N ATOM 647 CA ALA A 40 46.441 14.951 9.509 1.00 0.00 C ATOM 648 C ALA A 40 46.082 16.394 9.182 1.00 0.00 C ATOM 649 O ALA A 40 46.415 17.321 9.914 1.00 0.00 O ATOM 650 CB ALA A 40 47.928 14.718 9.234 1.00 0.00 C ATOM 0 H ALA A 40 44.905 14.528 8.146 1.00 0.00 H new ATOM 0 HA ALA A 40 46.247 14.751 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 40 48.522 15.398 9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 40 48.187 13.688 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 40 48.136 14.901 8.180 1.00 0.00 H new ATOM 656 N GLU A 41 45.373 16.558 8.081 1.00 0.00 N ATOM 657 CA GLU A 41 44.943 17.852 7.595 1.00 0.00 C ATOM 658 C GLU A 41 43.648 18.221 8.292 1.00 0.00 C ATOM 659 O GLU A 41 42.634 18.530 7.659 1.00 0.00 O ATOM 660 CB GLU A 41 44.739 17.779 6.080 1.00 0.00 C ATOM 661 CG GLU A 41 45.939 17.207 5.336 1.00 0.00 C ATOM 662 CD GLU A 41 45.660 16.974 3.870 1.00 0.00 C ATOM 663 OE1 GLU A 41 45.777 17.931 3.079 1.00 0.00 O ATOM 664 OE2 GLU A 41 45.322 15.829 3.498 1.00 0.00 O ATOM 0 H GLU A 41 45.076 15.781 7.490 1.00 0.00 H new ATOM 0 HA GLU A 41 45.695 18.612 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 41 43.863 17.166 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 44.528 18.779 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 46.783 17.890 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 41 46.233 16.265 5.800 1.00 0.00 H new ATOM 671 N ARG A 42 43.704 18.180 9.596 1.00 0.00 N ATOM 672 CA ARG A 42 42.613 18.412 10.424 1.00 0.00 C ATOM 673 C ARG A 42 42.982 19.480 11.428 1.00 0.00 C ATOM 674 O ARG A 42 44.144 19.619 11.831 1.00 0.00 O ATOM 675 CB ARG A 42 42.224 17.117 11.142 1.00 0.00 C ATOM 676 CG ARG A 42 40.933 17.205 11.931 1.00 0.00 C ATOM 677 CD ARG A 42 39.729 17.374 11.018 1.00 0.00 C ATOM 678 NE ARG A 42 38.479 17.369 11.772 1.00 0.00 N ATOM 679 CZ ARG A 42 37.266 17.503 11.238 1.00 0.00 C ATOM 680 NH1 ARG A 42 37.116 17.631 9.924 1.00 0.00 N ATOM 681 NH2 ARG A 42 36.199 17.490 12.022 1.00 0.00 N ATOM 0 H ARG A 42 44.562 17.972 10.106 1.00 0.00 H new ATOM 0 HA ARG A 42 41.761 18.749 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 42 42.132 16.320 10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 42 43.031 16.834 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 42 40.811 16.304 12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 42 40.986 18.045 12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 39.818 18.310 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 42 39.714 16.570 10.282 1.00 0.00 H new ATOM 0 HE ARG A 42 38.539 17.254 12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.934 17.627 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.183 17.733 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.308 17.378 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.268 17.592 11.618 1.00 0.00 H new ATOM 695 N LYS A 43 41.998 20.208 11.789 1.00 0.00 N ATOM 696 CA LYS A 43 42.070 21.324 12.754 1.00 0.00 C ATOM 697 C LYS A 43 42.815 20.973 14.042 1.00 0.00 C ATOM 698 O LYS A 43 43.360 21.852 14.688 1.00 0.00 O ATOM 699 CB LYS A 43 40.670 21.829 13.107 1.00 0.00 C ATOM 700 CG LYS A 43 39.955 22.520 11.963 1.00 0.00 C ATOM 701 CD LYS A 43 38.636 23.113 12.419 1.00 0.00 C ATOM 702 CE LYS A 43 37.942 23.863 11.292 1.00 0.00 C ATOM 703 NZ LYS A 43 37.626 22.981 10.140 1.00 0.00 N ATOM 0 H LYS A 43 41.057 20.065 11.423 1.00 0.00 H new ATOM 0 HA LYS A 43 42.639 22.106 12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 40.066 20.987 13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 43 40.746 22.522 13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.590 23.308 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.777 21.807 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.985 22.318 12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 43 38.810 23.790 13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.022 24.309 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.579 24.681 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.009 23.488 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.507 22.710 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.140 22.127 10.480 1.00 0.00 H new ATOM 717 N ALA A 44 42.852 19.700 14.400 1.00 0.00 N ATOM 718 CA ALA A 44 43.542 19.282 15.626 1.00 0.00 C ATOM 719 C ALA A 44 45.030 19.592 15.519 1.00 0.00 C ATOM 720 O ALA A 44 45.681 19.982 16.492 1.00 0.00 O ATOM 721 CB ALA A 44 43.331 17.794 15.894 1.00 0.00 C ATOM 0 H ALA A 44 42.421 18.941 13.872 1.00 0.00 H new ATOM 0 HA ALA A 44 43.120 19.839 16.462 1.00 0.00 H new ATOM 0 HB1 ALA A 44 43.853 17.511 16.808 1.00 0.00 H new ATOM 0 HB2 ALA A 44 42.266 17.592 16.007 1.00 0.00 H new ATOM 0 HB3 ALA A 44 43.723 17.215 15.058 1.00 0.00 H new ATOM 727 N LEU A 45 45.550 19.428 14.323 1.00 0.00 N ATOM 728 CA LEU A 45 46.942 19.700 14.050 1.00 0.00 C ATOM 729 C LEU A 45 47.123 21.149 13.623 1.00 0.00 C ATOM 730 O LEU A 45 48.016 21.842 14.115 1.00 0.00 O ATOM 731 CB LEU A 45 47.499 18.746 12.983 1.00 0.00 C ATOM 732 CG LEU A 45 47.539 17.254 13.365 1.00 0.00 C ATOM 733 CD1 LEU A 45 46.159 16.618 13.282 1.00 0.00 C ATOM 734 CD2 LEU A 45 48.521 16.509 12.488 1.00 0.00 C ATOM 0 H LEU A 45 45.020 19.103 13.514 1.00 0.00 H new ATOM 0 HA LEU A 45 47.505 19.533 14.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 46.899 18.853 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 45 48.511 19.064 12.733 1.00 0.00 H new ATOM 0 HG LEU A 45 47.872 17.186 14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 46.226 15.566 13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 45 45.481 17.130 13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 45.780 16.702 12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 48.536 15.457 12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 45 48.218 16.599 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 49.517 16.934 12.615 1.00 0.00 H new ATOM 746 N GLU A 46 46.256 21.601 12.714 1.00 0.00 N ATOM 747 CA GLU A 46 46.291 22.981 12.211 1.00 0.00 C ATOM 748 C GLU A 46 46.161 24.005 13.340 1.00 0.00 C ATOM 749 O GLU A 46 46.650 25.129 13.219 1.00 0.00 O ATOM 750 CB GLU A 46 45.178 23.214 11.188 1.00 0.00 C ATOM 751 CG GLU A 46 45.240 22.303 9.975 1.00 0.00 C ATOM 752 CD GLU A 46 44.231 22.692 8.919 1.00 0.00 C ATOM 753 OE1 GLU A 46 44.566 23.526 8.055 1.00 0.00 O ATOM 754 OE2 GLU A 46 43.093 22.176 8.950 1.00 0.00 O ATOM 0 H GLU A 46 45.516 21.029 12.308 1.00 0.00 H new ATOM 0 HA GLU A 46 47.261 23.117 11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 46 44.215 23.079 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 46 45.221 24.250 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 46 46.242 22.337 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 46 45.060 21.274 10.286 1.00 0.00 H new ATOM 761 N ASP A 47 45.485 23.610 14.421 1.00 0.00 N ATOM 762 CA ASP A 47 45.287 24.482 15.599 1.00 0.00 C ATOM 763 C ASP A 47 46.604 25.069 16.082 1.00 0.00 C ATOM 764 O ASP A 47 46.695 26.260 16.380 1.00 0.00 O ATOM 765 CB ASP A 47 44.623 23.705 16.746 1.00 0.00 C ATOM 766 CG ASP A 47 44.385 24.561 17.967 1.00 0.00 C ATOM 767 OD1 ASP A 47 45.173 24.469 18.926 1.00 0.00 O ATOM 768 OD2 ASP A 47 43.393 25.319 17.978 1.00 0.00 O ATOM 0 H ASP A 47 45.060 22.687 14.513 1.00 0.00 H new ATOM 0 HA ASP A 47 44.634 25.298 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 47 43.672 23.298 16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 47 45.253 22.858 17.018 1.00 0.00 H new ATOM 773 N LYS A 48 47.622 24.237 16.133 1.00 0.00 N ATOM 774 CA LYS A 48 48.936 24.667 16.570 1.00 0.00 C ATOM 775 C LYS A 48 49.854 24.897 15.371 1.00 0.00 C ATOM 776 O LYS A 48 50.574 25.894 15.316 1.00 0.00 O ATOM 777 CB LYS A 48 49.529 23.641 17.555 1.00 0.00 C ATOM 778 CG LYS A 48 49.463 22.193 17.073 1.00 0.00 C ATOM 779 CD LYS A 48 49.300 21.233 18.242 1.00 0.00 C ATOM 780 CE LYS A 48 49.174 19.789 17.777 1.00 0.00 C ATOM 781 NZ LYS A 48 50.472 19.231 17.326 1.00 0.00 N ATOM 0 H LYS A 48 47.565 23.252 15.876 1.00 0.00 H new ATOM 0 HA LYS A 48 48.843 25.618 17.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 50.570 23.900 17.748 1.00 0.00 H new ATOM 0 HB3 LYS A 48 49.000 23.720 18.505 1.00 0.00 H new ATOM 0 HG2 LYS A 48 48.628 22.074 16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 48 50.371 21.948 16.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 50.156 21.326 18.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 48.416 21.508 18.817 1.00 0.00 H new ATOM 0 HE2 LYS A 48 48.782 19.180 18.591 1.00 0.00 H new ATOM 0 HE3 LYS A 48 48.453 19.733 16.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 50.311 18.566 16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 51.088 20.004 17.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 50.929 18.732 18.116 1.00 0.00 H new ATOM 795 N LEU A 49 49.828 23.941 14.427 1.00 0.00 N ATOM 796 CA LEU A 49 50.581 23.992 13.174 1.00 0.00 C ATOM 797 C LEU A 49 52.049 23.657 13.402 1.00 0.00 C ATOM 798 O LEU A 49 52.672 22.957 12.598 1.00 0.00 O ATOM 799 CB LEU A 49 50.422 25.339 12.495 1.00 0.00 C ATOM 800 CG LEU A 49 51.040 25.467 11.119 1.00 0.00 C ATOM 801 CD1 LEU A 49 50.408 24.481 10.146 1.00 0.00 C ATOM 802 CD2 LEU A 49 50.863 26.871 10.635 1.00 0.00 C ATOM 0 H LEU A 49 49.268 23.094 14.522 1.00 0.00 H new ATOM 0 HA LEU A 49 50.169 23.235 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 49.358 25.560 12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 49 50.858 26.102 13.140 1.00 0.00 H new ATOM 0 HG LEU A 49 52.103 25.234 11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 49 50.869 24.592 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 50.563 23.464 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 49.339 24.680 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 51.305 26.973 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 49.800 27.107 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 49 51.354 27.558 11.324 1.00 0.00 H new ATOM 814 N ALA A 50 52.589 24.148 14.492 1.00 0.00 N ATOM 815 CA ALA A 50 53.946 23.838 14.874 1.00 0.00 C ATOM 816 C ALA A 50 53.962 22.452 15.477 1.00 0.00 C ATOM 817 O ALA A 50 53.131 22.152 16.338 1.00 0.00 O ATOM 818 CB ALA A 50 54.473 24.865 15.862 1.00 0.00 C ATOM 0 H ALA A 50 52.103 24.771 15.137 1.00 0.00 H new ATOM 0 HA ALA A 50 54.596 23.867 13.999 1.00 0.00 H new ATOM 0 HB1 ALA A 50 55.497 24.613 16.137 1.00 0.00 H new ATOM 0 HB2 ALA A 50 54.453 25.854 15.404 1.00 0.00 H new ATOM 0 HB3 ALA A 50 53.847 24.866 16.755 1.00 0.00 H new ATOM 824 N ASP A 51 54.922 21.627 15.052 1.00 0.00 N ATOM 825 CA ASP A 51 54.978 20.210 15.437 1.00 0.00 C ATOM 826 C ASP A 51 53.623 19.535 15.254 1.00 0.00 C ATOM 827 O ASP A 51 52.774 19.570 16.136 1.00 0.00 O ATOM 828 CB ASP A 51 55.499 20.032 16.868 1.00 0.00 C ATOM 829 CG ASP A 51 56.960 20.410 16.997 1.00 0.00 C ATOM 830 OD1 ASP A 51 57.827 19.596 16.617 1.00 0.00 O ATOM 831 OD2 ASP A 51 57.256 21.528 17.475 1.00 0.00 O ATOM 0 H ASP A 51 55.680 21.918 14.434 1.00 0.00 H new ATOM 0 HA ASP A 51 55.688 19.720 14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 51 54.906 20.644 17.547 1.00 0.00 H new ATOM 0 HB3 ASP A 51 55.366 18.995 17.175 1.00 0.00 H new ATOM 836 N TYR A 52 53.438 18.927 14.098 1.00 0.00 N ATOM 837 CA TYR A 52 52.169 18.303 13.734 1.00 0.00 C ATOM 838 C TYR A 52 51.824 17.146 14.669 1.00 0.00 C ATOM 839 O TYR A 52 52.472 16.080 14.570 1.00 0.00 O ATOM 840 CB TYR A 52 52.208 17.831 12.275 1.00 0.00 C ATOM 841 CG TYR A 52 52.283 18.962 11.263 1.00 0.00 C ATOM 842 CD1 TYR A 52 53.482 19.613 11.007 1.00 0.00 C ATOM 843 CD2 TYR A 52 51.154 19.373 10.564 1.00 0.00 C ATOM 844 CE1 TYR A 52 53.558 20.638 10.087 1.00 0.00 C ATOM 845 CE2 TYR A 52 51.222 20.401 9.639 1.00 0.00 C ATOM 846 CZ TYR A 52 52.428 21.029 9.405 1.00 0.00 C ATOM 847 OH TYR A 52 52.507 22.053 8.482 1.00 0.00 O ATOM 848 OXT TYR A 52 50.897 17.303 15.500 1.00 0.00 O ATOM 0 H TYR A 52 54.159 18.849 13.381 1.00 0.00 H new ATOM 0 HA TYR A 52 51.384 19.052 13.839 1.00 0.00 H new ATOM 0 HB2 TYR A 52 53.069 17.177 12.138 1.00 0.00 H new ATOM 0 HB3 TYR A 52 51.319 17.234 12.073 1.00 0.00 H new ATOM 0 HD1 TYR A 52 54.372 19.311 11.538 1.00 0.00 H new ATOM 0 HD2 TYR A 52 50.209 18.883 10.745 1.00 0.00 H new ATOM 0 HE1 TYR A 52 54.501 21.132 9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 52 50.336 20.709 9.104 1.00 0.00 H new ATOM 0 HH TYR A 52 51.623 22.207 8.087 1.00 0.00 H new TER 858 TYR A 52