USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 522 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 28 MET CE :methyl 171:sc= -0.491 (180deg=-0.479) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.536 USER MOD Set 2.1: A 2 THR OG1 : rot 155:sc= 0.256 USER MOD Set 2.2: A 13 GLN : amide:sc= 0.243 K(o=0.5,f=-0.27) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= -0.49 (180deg=-0.491) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= 0 (180deg=-1.11) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0494 (180deg=-0.373) USER MOD Single : A 17 SER OG : rot -32:sc= 0.716 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.054 (180deg=-0.452) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= -0.107 (180deg=-0.752) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc=-0.00206 (180deg=-0.0812) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 26:sc= -0.487! USER MOD Single : A 33 TYR OH : rot 180:sc= -0.062 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.0403 (180deg=-0.406) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0444 (180deg=-0.348) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0384 (180deg=-0.423) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0535 (180deg=-0.407) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0648 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.028 2.596 9.784 1.00 0.00 N ATOM 2 CA ALA A 1 -0.621 3.346 8.667 1.00 0.00 C ATOM 3 C ALA A 1 -1.262 2.371 7.693 1.00 0.00 C ATOM 4 O ALA A 1 -0.596 1.538 7.081 1.00 0.00 O ATOM 5 CB ALA A 1 0.470 4.149 7.967 1.00 0.00 C ATOM 0 H1 ALA A 1 0.412 3.260 10.453 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.770 2.054 10.271 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.694 1.943 9.419 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.384 4.030 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.036 4.707 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.921 4.844 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.234 3.471 7.587 1.00 0.00 H new ATOM 13 N THR A 2 -2.571 2.472 7.545 1.00 0.00 N ATOM 14 CA THR A 2 -3.255 1.564 6.627 1.00 0.00 C ATOM 15 C THR A 2 -4.007 2.384 5.591 1.00 0.00 C ATOM 16 O THR A 2 -4.253 3.577 5.767 1.00 0.00 O ATOM 17 CB THR A 2 -4.233 0.696 7.414 1.00 0.00 C ATOM 18 OG1 THR A 2 -5.146 1.532 8.111 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.486 -0.180 8.417 1.00 0.00 C ATOM 0 H THR A 2 -3.168 3.145 8.026 1.00 0.00 H new ATOM 0 HA THR A 2 -2.531 0.922 6.125 1.00 0.00 H new ATOM 0 HB THR A 2 -4.770 0.053 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.977 1.041 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.200 -0.792 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.788 -0.827 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.936 0.453 9.114 1.00 0.00 H new ATOM 27 N VAL A 3 -4.379 1.747 4.496 1.00 0.00 N ATOM 28 CA VAL A 3 -5.111 2.477 3.464 1.00 0.00 C ATOM 29 C VAL A 3 -6.578 2.084 3.525 1.00 0.00 C ATOM 30 O VAL A 3 -6.943 0.920 3.371 1.00 0.00 O ATOM 31 CB VAL A 3 -4.534 2.144 2.089 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.236 2.976 1.018 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.038 2.445 2.052 1.00 0.00 C ATOM 0 H VAL A 3 -4.198 0.763 4.296 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.016 3.550 3.632 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.692 1.083 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.821 2.735 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.303 2.752 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.086 4.036 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.642 2.202 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.874 3.503 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.527 1.845 2.805 1.00 0.00 H new ATOM 43 N LYS A 4 -7.441 3.060 3.744 1.00 0.00 N ATOM 44 CA LYS A 4 -8.864 2.738 3.772 1.00 0.00 C ATOM 45 C LYS A 4 -9.326 2.399 2.365 1.00 0.00 C ATOM 46 O LYS A 4 -8.895 3.001 1.382 1.00 0.00 O ATOM 47 CB LYS A 4 -9.641 3.927 4.330 1.00 0.00 C ATOM 48 CG LYS A 4 -11.029 3.487 4.787 1.00 0.00 C ATOM 49 CD LYS A 4 -10.904 2.419 5.873 1.00 0.00 C ATOM 50 CE LYS A 4 -12.274 1.960 6.367 1.00 0.00 C ATOM 51 NZ LYS A 4 -13.022 1.335 5.266 1.00 0.00 N ATOM 0 H LYS A 4 -7.202 4.040 3.899 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.044 1.876 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.097 4.365 5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.730 4.701 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.584 4.344 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.592 3.094 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.352 1.564 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.328 2.815 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.155 1.250 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.832 2.810 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.960 1.041 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.134 2.019 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.502 0.503 4.921 1.00 0.00 H new ATOM 65 N PHE A 5 -10.200 1.416 2.247 1.00 0.00 N ATOM 66 CA PHE A 5 -10.619 1.012 0.907 1.00 0.00 C ATOM 67 C PHE A 5 -11.980 0.337 0.978 1.00 0.00 C ATOM 68 O PHE A 5 -12.099 -0.851 1.271 1.00 0.00 O ATOM 69 CB PHE A 5 -9.580 0.046 0.342 1.00 0.00 C ATOM 70 CG PHE A 5 -9.966 -0.415 -1.042 1.00 0.00 C ATOM 71 CD1 PHE A 5 -10.007 0.463 -2.054 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.255 -1.705 -1.263 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.345 0.052 -3.284 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.592 -2.116 -2.492 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.638 -1.237 -3.503 1.00 0.00 C ATOM 0 H PHE A 5 -10.620 0.900 3.020 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.698 1.885 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.606 0.533 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.483 -0.816 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.768 1.501 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -10.216 -2.414 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.381 0.760 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.827 -3.155 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.911 -1.568 -4.494 1.00 0.00 H new ATOM 85 N LYS A 6 -13.027 1.093 0.698 1.00 0.00 N ATOM 86 CA LYS A 6 -14.355 0.484 0.708 1.00 0.00 C ATOM 87 C LYS A 6 -14.546 -0.255 -0.607 1.00 0.00 C ATOM 88 O LYS A 6 -14.292 0.277 -1.687 1.00 0.00 O ATOM 89 CB LYS A 6 -15.457 1.537 0.838 1.00 0.00 C ATOM 90 CG LYS A 6 -15.533 2.188 2.221 1.00 0.00 C ATOM 91 CD LYS A 6 -14.508 3.306 2.402 1.00 0.00 C ATOM 92 CE LYS A 6 -14.766 4.046 3.712 1.00 0.00 C ATOM 93 NZ LYS A 6 -13.816 5.157 3.853 1.00 0.00 N ATOM 0 H LYS A 6 -12.996 2.087 0.470 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.423 -0.189 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.294 2.313 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.417 1.073 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.534 2.590 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.374 1.427 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.501 2.890 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.565 4.002 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.788 4.425 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.665 3.360 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.680 5.372 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.904 4.890 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.190 5.997 3.367 1.00 0.00 H new ATOM 107 N TYR A 7 -15.013 -1.488 -0.530 1.00 0.00 N ATOM 108 CA TYR A 7 -15.270 -2.220 -1.768 1.00 0.00 C ATOM 109 C TYR A 7 -16.719 -1.989 -2.176 1.00 0.00 C ATOM 110 O TYR A 7 -17.035 -1.064 -2.922 1.00 0.00 O ATOM 111 CB TYR A 7 -14.970 -3.702 -1.553 1.00 0.00 C ATOM 112 CG TYR A 7 -15.156 -4.482 -2.835 1.00 0.00 C ATOM 113 CD1 TYR A 7 -14.398 -4.202 -3.906 1.00 0.00 C ATOM 114 CD2 TYR A 7 -16.078 -5.452 -2.905 1.00 0.00 C ATOM 115 CE1 TYR A 7 -14.563 -4.893 -5.041 1.00 0.00 C ATOM 116 CE2 TYR A 7 -16.241 -6.142 -4.039 1.00 0.00 C ATOM 117 CZ TYR A 7 -15.483 -5.864 -5.110 1.00 0.00 C ATOM 118 OH TYR A 7 -15.651 -6.570 -6.271 1.00 0.00 O ATOM 0 H TYR A 7 -15.217 -1.991 0.334 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.624 -1.866 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.948 -3.822 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.627 -4.102 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -13.655 -3.420 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.690 -5.677 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -13.953 -4.667 -5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -16.984 -6.924 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 7 -16.358 -7.237 -6.149 1.00 0.00 H new ATOM 128 N LYS A 8 -17.618 -2.818 -1.674 1.00 0.00 N ATOM 129 CA LYS A 8 -19.032 -2.598 -1.969 1.00 0.00 C ATOM 130 C LYS A 8 -19.747 -2.260 -0.672 1.00 0.00 C ATOM 131 O LYS A 8 -20.167 -1.127 -0.438 1.00 0.00 O ATOM 132 CB LYS A 8 -19.633 -3.864 -2.579 1.00 0.00 C ATOM 133 CG LYS A 8 -18.936 -4.270 -3.879 1.00 0.00 C ATOM 134 CD LYS A 8 -19.049 -3.211 -4.978 1.00 0.00 C ATOM 135 CE LYS A 8 -20.501 -2.930 -5.361 1.00 0.00 C ATOM 136 NZ LYS A 8 -21.153 -4.167 -5.815 1.00 0.00 N ATOM 0 H LYS A 8 -17.411 -3.622 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.144 -1.779 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.561 -4.680 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.693 -3.703 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -17.883 -4.462 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.366 -5.205 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.579 -2.287 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.500 -3.544 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.038 -2.520 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.538 -2.179 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.048 -3.933 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.527 -4.666 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.346 -4.778 -4.996 1.00 0.00 H new ATOM 150 N GLY A 9 -19.885 -3.253 0.187 1.00 0.00 N ATOM 151 CA GLY A 9 -20.536 -2.999 1.470 1.00 0.00 C ATOM 152 C GLY A 9 -19.697 -3.591 2.592 1.00 0.00 C ATOM 153 O GLY A 9 -20.215 -4.104 3.583 1.00 0.00 O ATOM 0 H GLY A 9 -19.570 -4.211 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.659 -1.927 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.533 -3.439 1.477 1.00 0.00 H new ATOM 157 N GLU A 10 -18.387 -3.531 2.436 1.00 0.00 N ATOM 158 CA GLU A 10 -17.527 -4.113 3.462 1.00 0.00 C ATOM 159 C GLU A 10 -16.266 -3.276 3.601 1.00 0.00 C ATOM 160 O GLU A 10 -15.711 -2.772 2.626 1.00 0.00 O ATOM 161 CB GLU A 10 -17.171 -5.549 3.076 1.00 0.00 C ATOM 162 CG GLU A 10 -16.459 -5.611 1.726 1.00 0.00 C ATOM 163 CD GLU A 10 -16.126 -7.051 1.369 1.00 0.00 C ATOM 164 OE1 GLU A 10 -17.023 -7.772 0.882 1.00 0.00 O ATOM 165 OE2 GLU A 10 -14.966 -7.469 1.573 1.00 0.00 O ATOM 0 H GLU A 10 -17.906 -3.105 1.644 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.051 -4.124 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.533 -5.985 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.079 -6.151 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.092 -5.175 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.545 -5.018 1.762 1.00 0.00 H new ATOM 172 N GLU A 11 -15.796 -3.129 4.826 1.00 0.00 N ATOM 173 CA GLU A 11 -14.556 -2.382 5.020 1.00 0.00 C ATOM 174 C GLU A 11 -13.382 -3.325 4.811 1.00 0.00 C ATOM 175 O GLU A 11 -13.437 -4.508 5.146 1.00 0.00 O ATOM 176 CB GLU A 11 -14.527 -1.788 6.427 1.00 0.00 C ATOM 177 CG GLU A 11 -14.601 -2.875 7.499 1.00 0.00 C ATOM 178 CD GLU A 11 -14.572 -2.252 8.885 1.00 0.00 C ATOM 179 OE1 GLU A 11 -15.594 -1.669 9.305 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.527 -2.346 9.564 1.00 0.00 O ATOM 0 H GLU A 11 -16.228 -3.498 5.673 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.492 -1.564 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.614 -1.208 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.363 -1.099 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.514 -3.457 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.765 -3.565 7.385 1.00 0.00 H new ATOM 187 N LEU A 12 -12.304 -2.811 4.247 1.00 0.00 N ATOM 188 CA LEU A 12 -11.159 -3.684 4.003 1.00 0.00 C ATOM 189 C LEU A 12 -9.889 -2.847 4.027 1.00 0.00 C ATOM 190 O LEU A 12 -9.545 -2.160 3.066 1.00 0.00 O ATOM 191 CB LEU A 12 -11.345 -4.360 2.644 1.00 0.00 C ATOM 192 CG LEU A 12 -10.217 -5.338 2.314 1.00 0.00 C ATOM 193 CD1 LEU A 12 -10.206 -6.510 3.294 1.00 0.00 C ATOM 194 CD2 LEU A 12 -10.429 -5.876 0.903 1.00 0.00 C ATOM 0 H LEU A 12 -12.192 -1.839 3.959 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.082 -4.453 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.296 -4.892 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.398 -3.597 1.867 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.265 -4.812 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.395 -7.191 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.059 -6.136 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.156 -7.041 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.630 -6.575 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.389 -6.389 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.420 -5.049 0.193 1.00 0.00 H new ATOM 206 N GLN A 13 -9.185 -2.891 5.145 1.00 0.00 N ATOM 207 CA GLN A 13 -7.986 -2.063 5.259 1.00 0.00 C ATOM 208 C GLN A 13 -6.771 -2.850 4.795 1.00 0.00 C ATOM 209 O GLN A 13 -6.323 -3.791 5.447 1.00 0.00 O ATOM 210 CB GLN A 13 -7.802 -1.642 6.714 1.00 0.00 C ATOM 211 CG GLN A 13 -8.981 -0.798 7.193 1.00 0.00 C ATOM 212 CD GLN A 13 -8.774 -0.357 8.633 1.00 0.00 C ATOM 213 OE1 GLN A 13 -7.915 0.467 8.940 1.00 0.00 O ATOM 214 NE2 GLN A 13 -9.566 -0.907 9.535 1.00 0.00 N ATOM 0 H GLN A 13 -9.406 -3.465 5.959 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.095 -1.177 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.705 -2.527 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.878 -1.074 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.093 0.076 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.903 -1.373 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.269 -1.588 9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.474 -0.651 10.518 1.00 0.00 H new ATOM 223 N VAL A 14 -6.216 -2.456 3.664 1.00 0.00 N ATOM 224 CA VAL A 14 -5.010 -3.132 3.196 1.00 0.00 C ATOM 225 C VAL A 14 -3.798 -2.443 3.807 1.00 0.00 C ATOM 226 O VAL A 14 -3.918 -1.447 4.518 1.00 0.00 O ATOM 227 CB VAL A 14 -4.955 -3.083 1.668 1.00 0.00 C ATOM 228 CG1 VAL A 14 -6.150 -3.831 1.083 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.964 -1.640 1.170 1.00 0.00 C ATOM 0 H VAL A 14 -6.560 -1.702 3.069 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.017 -4.178 3.502 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.029 -3.558 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.106 -3.793 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.125 -4.870 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.074 -3.365 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.924 -1.631 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.876 -1.145 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.098 -1.112 1.569 1.00 0.00 H new ATOM 239 N ASP A 15 -2.618 -2.975 3.543 1.00 0.00 N ATOM 240 CA ASP A 15 -1.423 -2.380 4.138 1.00 0.00 C ATOM 241 C ASP A 15 -0.472 -1.941 3.034 1.00 0.00 C ATOM 242 O ASP A 15 -0.459 -2.492 1.934 1.00 0.00 O ATOM 243 CB ASP A 15 -0.760 -3.409 5.050 1.00 0.00 C ATOM 244 CG ASP A 15 -1.716 -3.833 6.154 1.00 0.00 C ATOM 245 OD1 ASP A 15 -2.491 -4.790 5.944 1.00 0.00 O ATOM 246 OD2 ASP A 15 -1.698 -3.212 7.237 1.00 0.00 O ATOM 0 H ASP A 15 -2.457 -3.786 2.945 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.690 -1.504 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.458 -4.279 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.146 -2.988 5.486 1.00 0.00 H new ATOM 251 N ILE A 16 0.328 -0.928 3.317 1.00 0.00 N ATOM 252 CA ILE A 16 1.205 -0.398 2.273 1.00 0.00 C ATOM 253 C ILE A 16 2.321 -1.395 2.000 1.00 0.00 C ATOM 254 O ILE A 16 2.775 -1.558 0.868 1.00 0.00 O ATOM 255 CB ILE A 16 1.808 0.946 2.699 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.758 2.056 2.781 1.00 0.00 C ATOM 257 CG2 ILE A 16 2.852 1.374 1.671 1.00 0.00 C ATOM 258 CD1 ILE A 16 -0.013 2.052 4.101 1.00 0.00 C ATOM 0 H ILE A 16 0.394 -0.466 4.224 1.00 0.00 H new ATOM 0 HA ILE A 16 0.618 -0.241 1.368 1.00 0.00 H new ATOM 0 HB ILE A 16 2.244 0.803 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.248 3.022 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.055 1.945 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.285 2.329 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.638 0.621 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.380 1.478 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.743 2.862 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.529 1.099 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.682 2.192 4.929 1.00 0.00 H new ATOM 270 N SER A 17 2.797 -2.057 3.039 1.00 0.00 N ATOM 271 CA SER A 17 3.960 -2.923 2.849 1.00 0.00 C ATOM 272 C SER A 17 3.537 -4.314 2.399 1.00 0.00 C ATOM 273 O SER A 17 4.364 -5.208 2.225 1.00 0.00 O ATOM 274 CB SER A 17 4.723 -3.017 4.166 1.00 0.00 C ATOM 275 OG SER A 17 5.872 -3.833 3.998 1.00 0.00 O ATOM 0 H SER A 17 2.421 -2.021 3.986 1.00 0.00 H new ATOM 0 HA SER A 17 4.597 -2.497 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.018 -2.022 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.080 -3.434 4.941 1.00 0.00 H new ATOM 0 HG SER A 17 5.686 -4.527 3.332 1.00 0.00 H new ATOM 281 N LYS A 18 2.246 -4.516 2.205 1.00 0.00 N ATOM 282 CA LYS A 18 1.794 -5.839 1.785 1.00 0.00 C ATOM 283 C LYS A 18 1.492 -5.830 0.294 1.00 0.00 C ATOM 284 O LYS A 18 1.032 -6.818 -0.275 1.00 0.00 O ATOM 285 CB LYS A 18 0.537 -6.208 2.568 1.00 0.00 C ATOM 286 CG LYS A 18 0.043 -7.591 2.149 1.00 0.00 C ATOM 287 CD LYS A 18 -1.269 -7.957 2.843 1.00 0.00 C ATOM 288 CE LYS A 18 -1.105 -8.085 4.358 1.00 0.00 C ATOM 289 NZ LYS A 18 -0.105 -9.114 4.674 1.00 0.00 N ATOM 0 H LYS A 18 1.514 -3.815 2.324 1.00 0.00 H new ATOM 0 HA LYS A 18 2.575 -6.574 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.749 -6.198 3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.242 -5.466 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.098 -7.615 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.802 -8.336 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.019 -7.197 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.642 -8.898 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.799 -7.128 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.061 -8.344 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.202 -9.399 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.253 -9.941 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.849 -8.731 4.515 1.00 0.00 H new ATOM 303 N ILE A 19 1.746 -4.708 -0.356 1.00 0.00 N ATOM 304 CA ILE A 19 1.452 -4.643 -1.786 1.00 0.00 C ATOM 305 C ILE A 19 2.672 -5.111 -2.563 1.00 0.00 C ATOM 306 O ILE A 19 3.769 -4.574 -2.424 1.00 0.00 O ATOM 307 CB ILE A 19 1.093 -3.209 -2.173 1.00 0.00 C ATOM 308 CG1 ILE A 19 -0.101 -2.736 -1.338 1.00 0.00 C ATOM 309 CG2 ILE A 19 0.761 -3.162 -3.666 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.520 -1.304 -1.673 1.00 0.00 C ATOM 0 H ILE A 19 2.138 -3.861 0.056 1.00 0.00 H new ATOM 0 HA ILE A 19 0.606 -5.288 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 19 1.936 -2.546 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.944 -3.406 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.152 -2.799 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.504 -2.141 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.626 -3.491 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.084 -3.820 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.370 -1.019 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.312 -0.627 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.802 -1.244 -2.724 1.00 0.00 H new ATOM 322 N LYS A 20 2.481 -6.115 -3.397 1.00 0.00 N ATOM 323 CA LYS A 20 3.604 -6.588 -4.204 1.00 0.00 C ATOM 324 C LYS A 20 3.285 -6.358 -5.673 1.00 0.00 C ATOM 325 O LYS A 20 2.131 -6.414 -6.099 1.00 0.00 O ATOM 326 CB LYS A 20 3.828 -8.075 -3.943 1.00 0.00 C ATOM 327 CG LYS A 20 4.980 -8.595 -4.798 1.00 0.00 C ATOM 328 CD LYS A 20 5.206 -10.083 -4.544 1.00 0.00 C ATOM 329 CE LYS A 20 6.349 -10.601 -5.411 1.00 0.00 C ATOM 330 NZ LYS A 20 6.551 -12.036 -5.165 1.00 0.00 N ATOM 0 H LYS A 20 1.598 -6.607 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 20 4.510 -6.044 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.047 -8.237 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.919 -8.632 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.761 -8.429 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.889 -8.039 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.435 -10.248 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.294 -10.639 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.124 -10.432 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.264 -10.052 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.331 -12.384 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.785 -12.187 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.680 -12.554 -5.399 1.00 0.00 H new ATOM 344 N LYS A 21 4.313 -6.097 -6.462 1.00 0.00 N ATOM 345 CA LYS A 21 4.066 -5.891 -7.883 1.00 0.00 C ATOM 346 C LYS A 21 3.272 -4.599 -8.060 1.00 0.00 C ATOM 347 O LYS A 21 2.043 -4.576 -7.991 1.00 0.00 O ATOM 348 CB LYS A 21 3.318 -7.108 -8.422 1.00 0.00 C ATOM 349 CG LYS A 21 3.003 -6.939 -9.900 1.00 0.00 C ATOM 350 CD LYS A 21 4.209 -6.749 -10.817 1.00 0.00 C ATOM 351 CE LYS A 21 5.116 -7.973 -10.771 1.00 0.00 C ATOM 352 NZ LYS A 21 4.349 -9.157 -11.188 1.00 0.00 N ATOM 0 H LYS A 21 5.286 -6.024 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 21 4.996 -5.789 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.920 -8.005 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.393 -7.249 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.448 -7.815 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.343 -6.079 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.872 -6.578 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.768 -5.864 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.974 -7.830 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.507 -8.114 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.945 -9.763 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.048 -9.690 -10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.511 -8.856 -11.725 1.00 0.00 H new ATOM 366 N VAL A 22 3.975 -3.501 -8.282 1.00 0.00 N ATOM 367 CA VAL A 22 3.275 -2.230 -8.471 1.00 0.00 C ATOM 368 C VAL A 22 3.687 -1.631 -9.807 1.00 0.00 C ATOM 369 O VAL A 22 4.851 -1.662 -10.201 1.00 0.00 O ATOM 370 CB VAL A 22 3.613 -1.268 -7.328 1.00 0.00 C ATOM 371 CG1 VAL A 22 3.131 -1.843 -5.998 1.00 0.00 C ATOM 372 CG2 VAL A 22 5.118 -1.014 -7.245 1.00 0.00 C ATOM 0 H VAL A 22 4.993 -3.455 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 22 2.198 -2.400 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 22 3.108 -0.323 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.376 -1.151 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.051 -1.989 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.621 -2.800 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.326 -0.328 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.637 -1.956 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.465 -0.577 -8.181 1.00 0.00 H new ATOM 382 N TRP A 23 2.726 -1.077 -10.523 1.00 0.00 N ATOM 383 CA TRP A 23 3.073 -0.443 -11.791 1.00 0.00 C ATOM 384 C TRP A 23 2.057 0.646 -12.098 1.00 0.00 C ATOM 385 O TRP A 23 0.845 0.434 -12.068 1.00 0.00 O ATOM 386 CB TRP A 23 3.127 -1.490 -12.905 1.00 0.00 C ATOM 387 CG TRP A 23 1.777 -2.128 -13.161 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.831 -1.722 -14.103 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.256 -3.252 -12.573 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.272 -2.589 -14.099 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.051 -3.526 -13.131 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.773 -4.018 -11.621 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.654 -4.592 -12.763 1.00 0.00 C ATOM 394 CZ3 TRP A 23 1.039 -5.061 -11.212 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.136 -5.362 -11.794 1.00 0.00 C ATOM 0 H TRP A 23 1.739 -1.049 -10.268 1.00 0.00 H new ATOM 0 HA TRP A 23 4.060 0.014 -11.721 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.485 -1.023 -13.822 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.847 -2.264 -12.639 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.934 -0.860 -14.746 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.113 -2.541 -14.673 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.743 -3.810 -11.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.602 -4.828 -13.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.398 -5.673 -10.398 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.674 -6.242 -11.474 1.00 0.00 H new ATOM 406 N ARG A 24 2.556 1.838 -12.373 1.00 0.00 N ATOM 407 CA ARG A 24 1.644 2.956 -12.596 1.00 0.00 C ATOM 408 C ARG A 24 1.427 3.156 -14.086 1.00 0.00 C ATOM 409 O ARG A 24 2.368 3.289 -14.868 1.00 0.00 O ATOM 410 CB ARG A 24 2.255 4.214 -11.984 1.00 0.00 C ATOM 411 CG ARG A 24 2.448 4.028 -10.480 1.00 0.00 C ATOM 412 CD ARG A 24 3.148 5.234 -9.856 1.00 0.00 C ATOM 413 NE ARG A 24 2.368 6.446 -10.093 1.00 0.00 N ATOM 414 CZ ARG A 24 2.826 7.597 -9.637 1.00 0.00 C ATOM 415 NH1 ARG A 24 3.965 7.643 -8.970 1.00 0.00 N ATOM 416 NH2 ARG A 24 2.143 8.707 -9.846 1.00 0.00 N ATOM 0 H ARG A 24 3.549 2.058 -12.447 1.00 0.00 H new ATOM 0 HA ARG A 24 0.681 2.749 -12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.213 4.429 -12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.607 5.070 -12.172 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.479 3.880 -10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.035 3.128 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.274 5.077 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.145 5.345 -10.281 1.00 0.00 H new ATOM 0 HE ARG A 24 1.485 6.404 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.495 6.787 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.315 8.535 -8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.262 8.675 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.496 9.597 -9.494 1.00 0.00 H new ATOM 430 N VAL A 25 0.170 3.192 -14.490 1.00 0.00 N ATOM 431 CA VAL A 25 -0.112 3.425 -15.903 1.00 0.00 C ATOM 432 C VAL A 25 -1.574 3.827 -16.044 1.00 0.00 C ATOM 433 O VAL A 25 -2.476 3.200 -15.491 1.00 0.00 O ATOM 434 CB VAL A 25 0.214 2.167 -16.712 1.00 0.00 C ATOM 435 CG1 VAL A 25 -0.629 0.979 -16.252 1.00 0.00 C ATOM 436 CG2 VAL A 25 -0.028 2.414 -18.199 1.00 0.00 C ATOM 0 H VAL A 25 -0.646 3.069 -13.891 1.00 0.00 H new ATOM 0 HA VAL A 25 0.510 4.231 -16.293 1.00 0.00 H new ATOM 0 HB VAL A 25 1.266 1.932 -16.548 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.375 0.101 -16.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.429 0.776 -15.200 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.686 1.211 -16.382 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.208 1.510 -18.761 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.074 2.678 -18.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.608 3.230 -18.540 1.00 0.00 H new ATOM 446 N GLY A 26 -1.821 4.896 -16.778 1.00 0.00 N ATOM 447 CA GLY A 26 -3.205 5.337 -16.934 1.00 0.00 C ATOM 448 C GLY A 26 -3.560 6.332 -15.842 1.00 0.00 C ATOM 449 O GLY A 26 -2.733 7.130 -15.400 1.00 0.00 O ATOM 0 H GLY A 26 -1.119 5.458 -17.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.341 5.796 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.876 4.479 -16.888 1.00 0.00 H new ATOM 453 N LYS A 27 -4.804 6.298 -15.400 1.00 0.00 N ATOM 454 CA LYS A 27 -5.219 7.259 -14.383 1.00 0.00 C ATOM 455 C LYS A 27 -5.067 6.612 -13.013 1.00 0.00 C ATOM 456 O LYS A 27 -4.218 6.992 -12.209 1.00 0.00 O ATOM 457 CB LYS A 27 -6.667 7.662 -14.668 1.00 0.00 C ATOM 458 CG LYS A 27 -7.049 9.011 -14.053 1.00 0.00 C ATOM 459 CD LYS A 27 -7.178 8.961 -12.532 1.00 0.00 C ATOM 460 CE LYS A 27 -7.659 10.309 -12.002 1.00 0.00 C ATOM 461 NZ LYS A 27 -7.785 10.253 -10.538 1.00 0.00 N ATOM 0 H LYS A 27 -5.523 5.645 -15.711 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.603 8.158 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.820 7.705 -15.746 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.335 6.892 -14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.298 9.753 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.994 9.344 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.879 8.177 -12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.216 8.708 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.957 11.093 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.620 10.564 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.930 11.213 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.597 9.656 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.917 9.851 -10.130 1.00 0.00 H new ATOM 475 N MET A 28 -5.902 5.628 -12.731 1.00 0.00 N ATOM 476 CA MET A 28 -5.823 4.997 -11.416 1.00 0.00 C ATOM 477 C MET A 28 -4.566 4.143 -11.347 1.00 0.00 C ATOM 478 O MET A 28 -3.825 4.006 -12.319 1.00 0.00 O ATOM 479 CB MET A 28 -7.059 4.128 -11.190 1.00 0.00 C ATOM 480 CG MET A 28 -8.346 4.946 -11.312 1.00 0.00 C ATOM 481 SD MET A 28 -9.775 3.872 -11.078 1.00 0.00 S ATOM 482 CE MET A 28 -9.644 3.558 -9.309 1.00 0.00 C ATOM 0 H MET A 28 -6.615 5.257 -13.360 1.00 0.00 H new ATOM 0 HA MET A 28 -5.783 5.762 -10.641 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.072 3.315 -11.916 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.009 3.671 -10.202 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.353 5.743 -10.569 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.394 5.422 -12.291 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.539 3.040 -8.964 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.769 2.939 -9.113 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.545 4.505 -8.778 1.00 0.00 H new ATOM 492 N ILE A 29 -4.317 3.564 -10.187 1.00 0.00 N ATOM 493 CA ILE A 29 -3.115 2.741 -10.045 1.00 0.00 C ATOM 494 C ILE A 29 -3.540 1.309 -9.760 1.00 0.00 C ATOM 495 O ILE A 29 -4.359 1.041 -8.883 1.00 0.00 O ATOM 496 CB ILE A 29 -2.260 3.290 -8.899 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.856 4.732 -9.212 1.00 0.00 C ATOM 498 CG2 ILE A 29 -1.017 2.417 -8.724 1.00 0.00 C ATOM 499 CD1 ILE A 29 -1.101 5.375 -8.050 1.00 0.00 C ATOM 0 H ILE A 29 -4.901 3.638 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.523 2.764 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.834 3.275 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.231 4.749 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.747 5.319 -9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.409 2.809 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.319 1.396 -8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.435 2.424 -9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.832 6.398 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.735 5.383 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.196 4.804 -7.844 1.00 0.00 H new ATOM 511 N SER A 30 -2.982 0.371 -10.506 1.00 0.00 N ATOM 512 CA SER A 30 -3.354 -1.024 -10.287 1.00 0.00 C ATOM 513 C SER A 30 -2.274 -1.709 -9.463 1.00 0.00 C ATOM 514 O SER A 30 -1.129 -1.265 -9.401 1.00 0.00 O ATOM 515 CB SER A 30 -3.510 -1.718 -11.635 1.00 0.00 C ATOM 516 OG SER A 30 -4.528 -1.076 -12.389 1.00 0.00 O ATOM 0 H SER A 30 -2.295 0.535 -11.242 1.00 0.00 H new ATOM 0 HA SER A 30 -4.299 -1.079 -9.747 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.567 -1.689 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.761 -2.768 -11.487 1.00 0.00 H new ATOM 0 HG SER A 30 -4.625 -1.523 -13.256 1.00 0.00 H new ATOM 522 N PHE A 31 -2.634 -2.805 -8.819 1.00 0.00 N ATOM 523 CA PHE A 31 -1.642 -3.501 -8.003 1.00 0.00 C ATOM 524 C PHE A 31 -2.159 -4.886 -7.648 1.00 0.00 C ATOM 525 O PHE A 31 -3.319 -5.221 -7.883 1.00 0.00 O ATOM 526 CB PHE A 31 -1.341 -2.691 -6.739 1.00 0.00 C ATOM 527 CG PHE A 31 -2.583 -2.438 -5.910 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.946 -3.307 -4.954 1.00 0.00 C ATOM 529 CD2 PHE A 31 -3.303 -1.325 -6.106 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.034 -3.069 -4.209 1.00 0.00 C ATOM 531 CE2 PHE A 31 -4.391 -1.088 -5.361 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.760 -1.961 -4.412 1.00 0.00 C ATOM 0 H PHE A 31 -3.564 -3.223 -8.838 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.715 -3.607 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.606 -3.223 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.893 -1.738 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.361 -4.199 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.006 -0.618 -6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.327 -3.772 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.972 -0.192 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.639 -1.772 -3.814 1.00 0.00 H new ATOM 542 N THR A 32 -1.290 -5.706 -7.083 1.00 0.00 N ATOM 543 CA THR A 32 -1.712 -7.060 -6.731 1.00 0.00 C ATOM 544 C THR A 32 -1.444 -7.300 -5.254 1.00 0.00 C ATOM 545 O THR A 32 -0.394 -7.804 -4.860 1.00 0.00 O ATOM 546 CB THR A 32 -0.935 -8.075 -7.566 1.00 0.00 C ATOM 547 OG1 THR A 32 0.455 -7.928 -7.315 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.198 -7.862 -9.054 1.00 0.00 C ATOM 0 H THR A 32 -0.321 -5.475 -6.862 1.00 0.00 H new ATOM 0 HA THR A 32 -2.777 -7.174 -6.932 1.00 0.00 H new ATOM 0 HB THR A 32 -1.263 -9.077 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.587 -7.539 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.635 -8.595 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.263 -7.981 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.884 -6.858 -9.339 1.00 0.00 H new ATOM 556 N TYR A 33 -2.403 -6.950 -4.416 1.00 0.00 N ATOM 557 CA TYR A 33 -2.220 -7.224 -2.993 1.00 0.00 C ATOM 558 C TYR A 33 -2.261 -8.730 -2.794 1.00 0.00 C ATOM 559 O TYR A 33 -3.107 -9.430 -3.349 1.00 0.00 O ATOM 560 CB TYR A 33 -3.309 -6.532 -2.172 1.00 0.00 C ATOM 561 CG TYR A 33 -4.683 -7.087 -2.476 1.00 0.00 C ATOM 562 CD1 TYR A 33 -5.397 -6.604 -3.503 1.00 0.00 C ATOM 563 CD2 TYR A 33 -5.198 -8.052 -1.701 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.616 -7.094 -3.761 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.417 -8.543 -1.960 1.00 0.00 C ATOM 566 CZ TYR A 33 -7.128 -8.065 -2.991 1.00 0.00 C ATOM 567 OH TYR A 33 -8.373 -8.569 -3.258 1.00 0.00 O ATOM 0 H TYR A 33 -3.279 -6.496 -4.673 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.261 -6.834 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.095 -6.653 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.296 -5.462 -2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.989 -5.819 -4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.629 -8.434 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.188 -6.706 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.827 -9.325 -1.338 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.591 -9.266 -2.605 1.00 0.00 H new ATOM 577 N ASP A 34 -1.332 -9.252 -2.016 1.00 0.00 N ATOM 578 CA ASP A 34 -1.274 -10.705 -1.883 1.00 0.00 C ATOM 579 C ASP A 34 -2.279 -11.175 -0.845 1.00 0.00 C ATOM 580 O ASP A 34 -2.246 -10.781 0.320 1.00 0.00 O ATOM 581 CB ASP A 34 0.138 -11.118 -1.480 1.00 0.00 C ATOM 582 CG ASP A 34 1.149 -10.652 -2.515 1.00 0.00 C ATOM 583 OD1 ASP A 34 1.411 -11.403 -3.480 1.00 0.00 O ATOM 584 OD2 ASP A 34 1.687 -9.534 -2.369 1.00 0.00 O ATOM 0 H ASP A 34 -0.636 -8.727 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.524 -11.168 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.383 -10.692 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.190 -12.202 -1.376 1.00 0.00 H new ATOM 589 N GLU A 35 -3.177 -12.042 -1.270 1.00 0.00 N ATOM 590 CA GLU A 35 -4.146 -12.581 -0.323 1.00 0.00 C ATOM 591 C GLU A 35 -4.770 -13.819 -0.948 1.00 0.00 C ATOM 592 O GLU A 35 -5.946 -13.850 -1.305 1.00 0.00 O ATOM 593 CB GLU A 35 -5.204 -11.519 -0.027 1.00 0.00 C ATOM 594 CG GLU A 35 -6.169 -11.997 1.055 1.00 0.00 C ATOM 595 CD GLU A 35 -7.194 -10.919 1.370 1.00 0.00 C ATOM 596 OE1 GLU A 35 -7.969 -10.456 0.534 1.00 0.00 O ATOM 597 OE2 GLU A 35 -7.144 -10.534 2.684 1.00 0.00 O ATOM 0 H GLU A 35 -3.260 -12.382 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.670 -12.853 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.719 -10.597 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.758 -11.288 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.676 -12.903 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.614 -12.254 1.957 1.00 0.00 H new ATOM 605 N GLY A 36 -3.967 -14.854 -1.112 1.00 0.00 N ATOM 606 CA GLY A 36 -4.495 -16.051 -1.761 1.00 0.00 C ATOM 607 C GLY A 36 -3.426 -17.130 -1.832 1.00 0.00 C ATOM 608 O GLY A 36 -3.634 -18.274 -1.430 1.00 0.00 O ATOM 0 H GLY A 36 -2.990 -14.899 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.358 -16.421 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.841 -15.806 -2.765 1.00 0.00 H new ATOM 612 N GLY A 37 -2.269 -16.774 -2.364 1.00 0.00 N ATOM 613 CA GLY A 37 -1.222 -17.781 -2.523 1.00 0.00 C ATOM 614 C GLY A 37 -1.219 -18.284 -3.958 1.00 0.00 C ATOM 615 O GLY A 37 -0.197 -18.280 -4.644 1.00 0.00 O ATOM 0 H GLY A 37 -2.031 -15.835 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.251 -17.354 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.392 -18.610 -1.836 1.00 0.00 H new ATOM 619 N GLY A 38 -2.377 -18.711 -4.424 1.00 0.00 N ATOM 620 CA GLY A 38 -2.474 -19.137 -5.817 1.00 0.00 C ATOM 621 C GLY A 38 -3.650 -18.424 -6.463 1.00 0.00 C ATOM 622 O GLY A 38 -4.430 -19.001 -7.219 1.00 0.00 O ATOM 0 H GLY A 38 -3.240 -18.774 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.552 -18.903 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.609 -20.217 -5.873 1.00 0.00 H new ATOM 626 N LYS A 39 -3.791 -17.150 -6.152 1.00 0.00 N ATOM 627 CA LYS A 39 -4.921 -16.408 -6.703 1.00 0.00 C ATOM 628 C LYS A 39 -5.036 -15.072 -5.982 1.00 0.00 C ATOM 629 O LYS A 39 -6.021 -14.771 -5.311 1.00 0.00 O ATOM 630 CB LYS A 39 -6.195 -17.242 -6.557 1.00 0.00 C ATOM 631 CG LYS A 39 -6.401 -17.704 -5.114 1.00 0.00 C ATOM 632 CD LYS A 39 -7.602 -18.642 -4.991 1.00 0.00 C ATOM 633 CE LYS A 39 -8.918 -17.941 -5.329 1.00 0.00 C ATOM 634 NZ LYS A 39 -9.127 -16.797 -4.428 1.00 0.00 N ATOM 0 H LYS A 39 -3.167 -16.618 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.770 -16.211 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.055 -16.654 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.140 -18.110 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.503 -18.213 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.548 -16.836 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.465 -19.494 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.652 -19.035 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.902 -17.600 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.747 -18.643 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.118 -16.779 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.504 -16.889 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.907 -15.914 -4.931 1.00 0.00 H new ATOM 648 N THR A 40 -4.012 -14.252 -6.130 1.00 0.00 N ATOM 649 CA THR A 40 -4.046 -12.947 -5.471 1.00 0.00 C ATOM 650 C THR A 40 -5.192 -12.124 -6.038 1.00 0.00 C ATOM 651 O THR A 40 -5.788 -12.460 -7.061 1.00 0.00 O ATOM 652 CB THR A 40 -2.733 -12.202 -5.696 1.00 0.00 C ATOM 653 OG1 THR A 40 -2.499 -12.063 -7.090 1.00 0.00 O ATOM 654 CG2 THR A 40 -1.561 -12.945 -5.059 1.00 0.00 C ATOM 0 H THR A 40 -3.174 -14.449 -6.677 1.00 0.00 H new ATOM 0 HA THR A 40 -4.189 -13.098 -4.401 1.00 0.00 H new ATOM 0 HB THR A 40 -2.814 -11.220 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.657 -11.583 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.639 -12.390 -5.236 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.729 -13.037 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.477 -13.938 -5.500 1.00 0.00 H new ATOM 662 N GLY A 41 -5.508 -11.031 -5.368 1.00 0.00 N ATOM 663 CA GLY A 41 -6.613 -10.204 -5.848 1.00 0.00 C ATOM 664 C GLY A 41 -6.075 -8.952 -6.520 1.00 0.00 C ATOM 665 O GLY A 41 -5.164 -8.292 -6.026 1.00 0.00 O ATOM 0 H GLY A 41 -5.041 -10.700 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.222 -10.771 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.260 -9.929 -5.015 1.00 0.00 H new ATOM 669 N ARG A 42 -6.649 -8.611 -7.661 1.00 0.00 N ATOM 670 CA ARG A 42 -6.214 -7.390 -8.335 1.00 0.00 C ATOM 671 C ARG A 42 -7.167 -6.264 -7.970 1.00 0.00 C ATOM 672 O ARG A 42 -8.381 -6.446 -7.888 1.00 0.00 O ATOM 673 CB ARG A 42 -6.221 -7.616 -9.845 1.00 0.00 C ATOM 674 CG ARG A 42 -5.272 -8.749 -10.230 1.00 0.00 C ATOM 675 CD ARG A 42 -5.296 -8.988 -11.738 1.00 0.00 C ATOM 676 NE ARG A 42 -4.827 -7.796 -12.439 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.763 -7.815 -13.759 1.00 0.00 C ATOM 678 NH1 ARG A 42 -5.121 -8.897 -14.425 1.00 0.00 N ATOM 679 NH2 ARG A 42 -4.338 -6.749 -14.412 1.00 0.00 N ATOM 0 H ARG A 42 -7.388 -9.135 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.204 -7.126 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.232 -7.854 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.926 -6.699 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.258 -8.504 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.558 -9.662 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.665 -9.840 -11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.308 -9.235 -12.060 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.553 -6.963 -11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.448 -9.721 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.071 -8.909 -15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.060 -5.913 -13.898 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.288 -6.761 -15.431 1.00 0.00 H new ATOM 693 N GLY A 43 -6.621 -5.083 -7.746 1.00 0.00 N ATOM 694 CA GLY A 43 -7.486 -3.963 -7.386 1.00 0.00 C ATOM 695 C GLY A 43 -6.911 -2.669 -7.941 1.00 0.00 C ATOM 696 O GLY A 43 -5.961 -2.666 -8.722 1.00 0.00 O ATOM 0 H GLY A 43 -5.624 -4.873 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.489 -4.125 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.577 -3.896 -6.302 1.00 0.00 H new ATOM 700 N ALA A 44 -7.485 -1.550 -7.542 1.00 0.00 N ATOM 701 CA ALA A 44 -6.975 -0.281 -8.054 1.00 0.00 C ATOM 702 C ALA A 44 -7.473 0.857 -7.180 1.00 0.00 C ATOM 703 O ALA A 44 -8.452 0.730 -6.445 1.00 0.00 O ATOM 704 CB ALA A 44 -7.457 -0.091 -9.490 1.00 0.00 C ATOM 0 H ALA A 44 -8.270 -1.485 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.885 -0.286 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.080 0.855 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.089 -0.910 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.547 -0.082 -9.510 1.00 0.00 H new ATOM 710 N VAL A 45 -6.801 1.990 -7.259 1.00 0.00 N ATOM 711 CA VAL A 45 -7.247 3.132 -6.466 1.00 0.00 C ATOM 712 C VAL A 45 -6.751 4.402 -7.138 1.00 0.00 C ATOM 713 O VAL A 45 -5.612 4.490 -7.595 1.00 0.00 O ATOM 714 CB VAL A 45 -6.719 2.998 -5.036 1.00 0.00 C ATOM 715 CG1 VAL A 45 -5.191 2.997 -5.011 1.00 0.00 C ATOM 716 CG2 VAL A 45 -7.240 4.144 -4.170 1.00 0.00 C ATOM 0 H VAL A 45 -5.976 2.148 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.335 3.170 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.075 2.048 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.844 2.901 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.818 2.159 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.820 3.931 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.857 4.036 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.906 5.095 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.330 4.119 -4.151 1.00 0.00 H new ATOM 726 N SER A 46 -7.613 5.396 -7.228 1.00 0.00 N ATOM 727 CA SER A 46 -7.197 6.628 -7.890 1.00 0.00 C ATOM 728 C SER A 46 -6.117 7.304 -7.064 1.00 0.00 C ATOM 729 O SER A 46 -6.049 7.156 -5.845 1.00 0.00 O ATOM 730 CB SER A 46 -8.403 7.553 -8.031 1.00 0.00 C ATOM 731 OG SER A 46 -9.423 6.907 -8.779 1.00 0.00 O ATOM 0 H SER A 46 -8.568 5.385 -6.870 1.00 0.00 H new ATOM 0 HA SER A 46 -6.799 6.402 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.780 7.826 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.107 8.478 -8.526 1.00 0.00 H new ATOM 0 HG SER A 46 -10.195 7.505 -8.864 1.00 0.00 H new ATOM 737 N GLU A 47 -5.263 8.064 -7.726 1.00 0.00 N ATOM 738 CA GLU A 47 -4.204 8.750 -6.990 1.00 0.00 C ATOM 739 C GLU A 47 -4.637 10.187 -6.721 1.00 0.00 C ATOM 740 O GLU A 47 -3.874 11.140 -6.874 1.00 0.00 O ATOM 741 CB GLU A 47 -2.921 8.707 -7.819 1.00 0.00 C ATOM 742 CG GLU A 47 -1.714 9.149 -6.994 1.00 0.00 C ATOM 743 CD GLU A 47 -0.446 9.095 -7.831 1.00 0.00 C ATOM 744 OE1 GLU A 47 -0.356 9.835 -8.834 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.467 8.313 -7.490 1.00 0.00 O ATOM 0 H GLU A 47 -5.274 8.222 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.018 8.261 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.759 7.695 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.026 9.354 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.870 10.163 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.608 8.505 -6.121 1.00 0.00 H new ATOM 752 N LYS A 48 -5.883 10.361 -6.315 1.00 0.00 N ATOM 753 CA LYS A 48 -6.348 11.716 -6.032 1.00 0.00 C ATOM 754 C LYS A 48 -5.938 12.093 -4.617 1.00 0.00 C ATOM 755 O LYS A 48 -5.828 13.268 -4.266 1.00 0.00 O ATOM 756 CB LYS A 48 -7.870 11.757 -6.182 1.00 0.00 C ATOM 757 CG LYS A 48 -8.451 13.136 -5.862 1.00 0.00 C ATOM 758 CD LYS A 48 -7.929 14.238 -6.787 1.00 0.00 C ATOM 759 CE LYS A 48 -8.285 13.980 -8.250 1.00 0.00 C ATOM 760 NZ LYS A 48 -9.743 13.893 -8.409 1.00 0.00 N ATOM 0 H LYS A 48 -6.569 9.619 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.905 12.428 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.139 11.480 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.318 11.015 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.538 13.092 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.213 13.393 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.345 15.197 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.846 14.312 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.891 14.782 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.819 13.054 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.987 13.956 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.080 12.986 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.196 14.675 -7.894 1.00 0.00 H new ATOM 774 N ASP A 49 -5.706 11.094 -3.787 1.00 0.00 N ATOM 775 CA ASP A 49 -5.306 11.396 -2.417 1.00 0.00 C ATOM 776 C ASP A 49 -4.639 10.165 -1.824 1.00 0.00 C ATOM 777 O ASP A 49 -5.057 9.625 -0.801 1.00 0.00 O ATOM 778 CB ASP A 49 -6.545 11.781 -1.613 1.00 0.00 C ATOM 779 CG ASP A 49 -6.169 12.202 -0.200 1.00 0.00 C ATOM 780 OD1 ASP A 49 -5.552 13.277 -0.037 1.00 0.00 O ATOM 781 OD2 ASP A 49 -6.486 11.461 0.754 1.00 0.00 O ATOM 0 H ASP A 49 -5.782 10.104 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.602 12.228 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.068 12.597 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.234 10.937 -1.574 1.00 0.00 H new ATOM 786 N ALA A 50 -3.591 9.698 -2.478 1.00 0.00 N ATOM 787 CA ALA A 50 -2.931 8.494 -1.984 1.00 0.00 C ATOM 788 C ALA A 50 -1.891 8.896 -0.942 1.00 0.00 C ATOM 789 O ALA A 50 -1.372 10.010 -0.985 1.00 0.00 O ATOM 790 CB ALA A 50 -2.260 7.789 -3.162 1.00 0.00 C ATOM 0 H ALA A 50 -3.188 10.111 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.652 7.818 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.761 6.886 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.013 7.522 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.526 8.456 -3.615 1.00 0.00 H new ATOM 796 N PRO A 51 -1.553 8.024 -0.001 1.00 0.00 N ATOM 797 CA PRO A 51 -0.554 8.346 1.016 1.00 0.00 C ATOM 798 C PRO A 51 0.750 8.837 0.400 1.00 0.00 C ATOM 799 O PRO A 51 1.053 8.582 -0.764 1.00 0.00 O ATOM 800 CB PRO A 51 -0.378 6.994 1.708 1.00 0.00 C ATOM 801 CG PRO A 51 -1.715 6.280 1.518 1.00 0.00 C ATOM 802 CD PRO A 51 -2.179 6.712 0.130 1.00 0.00 C ATOM 0 HA PRO A 51 -0.851 9.154 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.440 6.426 1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.143 7.119 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.600 5.198 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.433 6.569 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.847 6.022 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.265 6.769 0.062 1.00 0.00 H new ATOM 810 N LYS A 52 1.537 9.554 1.183 1.00 0.00 N ATOM 811 CA LYS A 52 2.769 10.111 0.625 1.00 0.00 C ATOM 812 C LYS A 52 3.852 9.045 0.565 1.00 0.00 C ATOM 813 O LYS A 52 4.853 9.184 -0.136 1.00 0.00 O ATOM 814 CB LYS A 52 3.242 11.275 1.495 1.00 0.00 C ATOM 815 CG LYS A 52 2.198 12.391 1.541 1.00 0.00 C ATOM 816 CD LYS A 52 2.733 13.624 2.271 1.00 0.00 C ATOM 817 CE LYS A 52 3.008 13.348 3.748 1.00 0.00 C ATOM 818 NZ LYS A 52 1.772 12.931 4.424 1.00 0.00 N ATOM 0 H LYS A 52 1.362 9.762 2.166 1.00 0.00 H new ATOM 0 HA LYS A 52 2.570 10.466 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.442 10.919 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.180 11.667 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.909 12.664 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.299 12.031 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.651 13.959 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.012 14.437 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.765 12.570 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.408 14.243 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.891 13.023 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.985 13.534 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.564 11.940 4.187 1.00 0.00 H new ATOM 832 N GLU A 53 3.665 7.964 1.300 1.00 0.00 N ATOM 833 CA GLU A 53 4.678 6.911 1.289 1.00 0.00 C ATOM 834 C GLU A 53 4.773 6.285 -0.095 1.00 0.00 C ATOM 835 O GLU A 53 5.844 5.878 -0.545 1.00 0.00 O ATOM 836 CB GLU A 53 4.306 5.841 2.313 1.00 0.00 C ATOM 837 CG GLU A 53 4.237 6.419 3.726 1.00 0.00 C ATOM 838 CD GLU A 53 5.587 6.971 4.155 1.00 0.00 C ATOM 839 OE1 GLU A 53 6.510 6.168 4.417 1.00 0.00 O ATOM 840 OE2 GLU A 53 5.734 8.210 4.232 1.00 0.00 O ATOM 0 H GLU A 53 2.854 7.789 1.894 1.00 0.00 H new ATOM 0 HA GLU A 53 5.645 7.344 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.343 5.403 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.041 5.036 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.488 7.210 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.918 5.645 4.424 1.00 0.00 H new ATOM 847 N LEU A 54 3.653 6.192 -0.792 1.00 0.00 N ATOM 848 CA LEU A 54 3.706 5.591 -2.121 1.00 0.00 C ATOM 849 C LEU A 54 4.375 6.555 -3.090 1.00 0.00 C ATOM 850 O LEU A 54 5.064 6.153 -4.024 1.00 0.00 O ATOM 851 CB LEU A 54 2.290 5.285 -2.612 1.00 0.00 C ATOM 852 CG LEU A 54 1.581 4.241 -1.750 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.127 4.139 -2.199 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.244 2.874 -1.903 1.00 0.00 C ATOM 0 H LEU A 54 2.734 6.508 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 54 4.278 4.665 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.705 6.205 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.335 4.930 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 54 1.641 4.545 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.390 3.397 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.359 5.107 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.090 3.840 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.724 2.146 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.196 2.561 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.287 2.938 -1.591 1.00 0.00 H new ATOM 866 N LEU A 55 4.162 7.844 -2.889 1.00 0.00 N ATOM 867 CA LEU A 55 4.733 8.792 -3.838 1.00 0.00 C ATOM 868 C LEU A 55 6.223 8.923 -3.588 1.00 0.00 C ATOM 869 O LEU A 55 7.003 9.134 -4.511 1.00 0.00 O ATOM 870 CB LEU A 55 4.052 10.151 -3.688 1.00 0.00 C ATOM 871 CG LEU A 55 2.545 10.067 -3.931 1.00 0.00 C ATOM 872 CD1 LEU A 55 1.915 11.426 -3.635 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.240 9.683 -5.379 1.00 0.00 C ATOM 0 H LEU A 55 3.627 8.247 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 55 4.572 8.430 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.237 10.540 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.494 10.857 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 55 2.132 9.301 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.840 11.374 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.104 11.696 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.351 12.180 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.161 9.631 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.659 10.433 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.682 8.711 -5.599 1.00 0.00 H new ATOM 885 N GLN A 56 6.643 8.799 -2.345 1.00 0.00 N ATOM 886 CA GLN A 56 8.068 8.970 -2.073 1.00 0.00 C ATOM 887 C GLN A 56 8.823 7.687 -2.398 1.00 0.00 C ATOM 888 O GLN A 56 10.039 7.676 -2.579 1.00 0.00 O ATOM 889 CB GLN A 56 8.240 9.344 -0.605 1.00 0.00 C ATOM 890 CG GLN A 56 9.702 9.629 -0.264 1.00 0.00 C ATOM 891 CD GLN A 56 9.833 10.062 1.186 1.00 0.00 C ATOM 892 OE1 GLN A 56 9.023 10.823 1.712 1.00 0.00 O ATOM 893 NE2 GLN A 56 10.863 9.576 1.853 1.00 0.00 N ATOM 0 H GLN A 56 6.056 8.591 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 56 8.476 9.763 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.635 10.223 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.871 8.533 0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.303 8.737 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.090 10.409 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.519 8.947 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.003 9.830 2.831 1.00 0.00 H new ATOM 902 N MET A 57 8.106 6.581 -2.477 1.00 0.00 N ATOM 903 CA MET A 57 8.791 5.326 -2.777 1.00 0.00 C ATOM 904 C MET A 57 9.117 5.281 -4.258 1.00 0.00 C ATOM 905 O MET A 57 10.122 4.712 -4.682 1.00 0.00 O ATOM 906 CB MET A 57 7.889 4.152 -2.399 1.00 0.00 C ATOM 907 CG MET A 57 8.582 2.821 -2.681 1.00 0.00 C ATOM 908 SD MET A 57 10.111 2.729 -1.734 1.00 0.00 S ATOM 909 CE MET A 57 10.672 1.101 -2.259 1.00 0.00 C ATOM 0 H MET A 57 7.096 6.518 -2.346 1.00 0.00 H new ATOM 0 HA MET A 57 9.716 5.259 -2.204 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.628 4.214 -1.343 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.957 4.208 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.926 1.993 -2.414 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.795 2.728 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.618 0.867 -1.770 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.927 0.354 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.811 1.095 -3.340 1.00 0.00 H new ATOM 919 N LEU A 58 8.270 5.878 -5.072 1.00 0.00 N ATOM 920 CA LEU A 58 8.554 5.852 -6.503 1.00 0.00 C ATOM 921 C LEU A 58 8.974 7.233 -6.955 1.00 0.00 C ATOM 922 O LEU A 58 8.869 7.556 -8.140 1.00 0.00 O ATOM 923 CB LEU A 58 7.309 5.406 -7.267 1.00 0.00 C ATOM 924 CG LEU A 58 6.891 3.994 -6.865 1.00 0.00 C ATOM 925 CD1 LEU A 58 5.611 3.613 -7.602 1.00 0.00 C ATOM 926 CD2 LEU A 58 7.985 2.986 -7.211 1.00 0.00 C ATOM 0 H LEU A 58 7.419 6.366 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 58 9.361 5.148 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.491 6.100 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.506 5.439 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 58 6.724 3.977 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.312 2.605 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.818 4.314 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.786 3.647 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.666 1.987 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.171 3.005 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.901 3.246 -6.680 1.00 0.00 H new ATOM 938 N GLU A 59 9.438 8.060 -6.020 1.00 0.00 N ATOM 939 CA GLU A 59 9.826 9.432 -6.369 1.00 0.00 C ATOM 940 C GLU A 59 10.747 9.972 -5.277 1.00 0.00 C ATOM 941 O GLU A 59 10.663 11.137 -4.891 1.00 0.00 O ATOM 942 CB GLU A 59 8.598 10.358 -6.481 1.00 0.00 C ATOM 943 CG GLU A 59 7.601 9.906 -7.553 1.00 0.00 C ATOM 944 CD GLU A 59 6.402 10.828 -7.683 1.00 0.00 C ATOM 945 OE1 GLU A 59 6.549 11.981 -8.141 1.00 0.00 O ATOM 946 OE2 GLU A 59 5.290 10.372 -7.350 1.00 0.00 O ATOM 0 H GLU A 59 9.554 7.816 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 59 10.329 9.411 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.092 10.399 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.933 11.370 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.112 9.848 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.254 8.900 -7.316 1.00 0.00 H new ATOM 953 N LYS A 60 11.625 9.129 -4.766 1.00 0.00 N ATOM 954 CA LYS A 60 12.524 9.601 -3.716 1.00 0.00 C ATOM 955 C LYS A 60 13.449 10.660 -4.299 1.00 0.00 C ATOM 956 O LYS A 60 14.030 10.494 -5.370 1.00 0.00 O ATOM 957 CB LYS A 60 13.289 8.422 -3.101 1.00 0.00 C ATOM 958 CG LYS A 60 14.219 7.695 -4.077 1.00 0.00 C ATOM 959 CD LYS A 60 15.643 8.250 -4.038 1.00 0.00 C ATOM 960 CE LYS A 60 16.552 7.464 -4.980 1.00 0.00 C ATOM 961 NZ LYS A 60 16.085 7.606 -6.367 1.00 0.00 N ATOM 0 H LYS A 60 11.738 8.154 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 60 11.957 10.059 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.878 8.786 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.570 7.707 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.238 6.632 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.823 7.785 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.637 9.302 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.032 8.198 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.577 7.825 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.560 6.412 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.844 7.324 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.255 6.998 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.825 8.597 -6.546 1.00 0.00 H new ATOM 975 N GLN A 61 13.574 11.775 -3.600 1.00 0.00 N ATOM 976 CA GLN A 61 14.424 12.846 -4.119 1.00 0.00 C ATOM 977 C GLN A 61 14.606 13.903 -3.041 1.00 0.00 C ATOM 978 O GLN A 61 13.993 13.851 -1.976 1.00 0.00 O ATOM 979 CB GLN A 61 13.796 13.465 -5.369 1.00 0.00 C ATOM 980 CG GLN A 61 12.420 14.067 -5.084 1.00 0.00 C ATOM 981 CD GLN A 61 11.823 14.643 -6.357 1.00 0.00 C ATOM 982 OE1 GLN A 61 12.440 15.444 -7.058 1.00 0.00 O ATOM 983 NE2 GLN A 61 10.607 14.237 -6.672 1.00 0.00 N ATOM 0 H GLN A 61 13.120 11.965 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 61 15.396 12.436 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.456 14.239 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.705 12.703 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.758 13.302 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.507 14.848 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.120 13.572 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.155 14.588 -7.516 1.00 0.00 H new ATOM 992 N LYS A 62 15.456 14.875 -3.318 1.00 0.00 N ATOM 993 CA LYS A 62 15.672 15.932 -2.332 1.00 0.00 C ATOM 994 C LYS A 62 15.443 17.279 -2.999 1.00 0.00 C ATOM 995 O LYS A 62 14.561 18.035 -2.540 1.00 0.00 O ATOM 996 CB LYS A 62 17.103 15.857 -1.802 1.00 0.00 C ATOM 997 CG LYS A 62 17.407 14.519 -1.127 1.00 0.00 C ATOM 998 CD LYS A 62 16.574 14.323 0.140 1.00 0.00 C ATOM 999 CE LYS A 62 16.926 13.004 0.824 1.00 0.00 C ATOM 1000 NZ LYS A 62 18.334 13.013 1.248 1.00 0.00 N ATOM 1001 OXT LYS A 62 16.141 17.587 -3.987 1.00 0.00 O ATOM 0 H LYS A 62 15.992 14.960 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 62 14.979 15.809 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.801 16.012 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.266 16.665 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.206 13.706 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.467 14.470 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.748 15.151 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.513 14.335 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.279 12.850 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.749 12.173 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.479 12.295 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.943 12.799 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.577 13.951 1.625 1.00 0.00 H new TER 1015 LYS A 62