USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 34 HIS : no HD1:sc= -6.96! C(o=-7!,f=-7.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.53) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.7!) USER MOD Single : A 47 TYR OH : rot 176:sc= 0.776 USER MOD Single : A 48 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.0014) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.028 USER MOD Single : A 79 ASN : amide:sc= -0.737 K(o=-0.74,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -5.55! (180deg=-9.76!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 149:sc= -1.86! (180deg=-3.64!) USER MOD Single : A 165 SER OG : rot 88:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 5.905 -2.569 11.117 1.00 0.00 N ATOM 12 CA LYS A 2 6.998 -3.527 11.088 1.00 0.00 C ATOM 13 C LYS A 2 7.047 -4.196 9.712 1.00 0.00 C ATOM 14 O LYS A 2 6.121 -4.053 8.915 1.00 0.00 O ATOM 15 CB LYS A 2 6.876 -4.515 12.248 1.00 0.00 C ATOM 16 CG LYS A 2 8.186 -4.601 13.035 1.00 0.00 C ATOM 17 CD LYS A 2 7.919 -4.891 14.513 1.00 0.00 C ATOM 18 CE LYS A 2 7.896 -6.397 14.781 1.00 0.00 C ATOM 19 NZ LYS A 2 8.498 -6.698 16.099 1.00 0.00 N ATOM 0 HA LYS A 2 7.952 -3.020 11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.069 -4.205 12.911 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.612 -5.501 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.816 -5.385 12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.735 -3.664 12.938 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.689 -4.421 15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.966 -4.451 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.869 -6.762 14.752 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.443 -6.920 13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.474 -7.724 16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.484 -6.367 16.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.959 -6.214 16.845 1.00 0.00 H new ATOM 33 N LYS A 3 8.136 -4.912 9.476 1.00 0.00 N ATOM 34 CA LYS A 3 8.318 -5.604 8.212 1.00 0.00 C ATOM 35 C LYS A 3 7.164 -5.250 7.271 1.00 0.00 C ATOM 36 O LYS A 3 6.261 -6.057 7.060 1.00 0.00 O ATOM 37 CB LYS A 3 8.483 -7.108 8.443 1.00 0.00 C ATOM 38 CG LYS A 3 8.706 -7.844 7.122 1.00 0.00 C ATOM 39 CD LYS A 3 9.517 -9.124 7.336 1.00 0.00 C ATOM 40 CE LYS A 3 11.019 -8.841 7.271 1.00 0.00 C ATOM 41 NZ LYS A 3 11.788 -10.012 7.748 1.00 0.00 N ATOM 0 H LYS A 3 8.902 -5.028 10.140 1.00 0.00 H new ATOM 0 HA LYS A 3 9.238 -5.276 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.327 -7.287 9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.596 -7.503 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.744 -8.090 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.228 -7.192 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.267 -9.559 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.249 -9.859 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.306 -8.603 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.258 -7.969 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.806 -9.803 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.526 -10.222 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.573 -10.835 7.150 1.00 0.00 H new ATOM 55 N ILE A 4 7.233 -4.041 6.732 1.00 0.00 N ATOM 56 CA ILE A 4 6.205 -3.571 5.820 1.00 0.00 C ATOM 57 C ILE A 4 6.370 -4.268 4.468 1.00 0.00 C ATOM 58 O ILE A 4 7.490 -4.566 4.052 1.00 0.00 O ATOM 59 CB ILE A 4 6.227 -2.044 5.730 1.00 0.00 C ATOM 60 CG1 ILE A 4 6.507 -1.419 7.098 1.00 0.00 C ATOM 61 CG2 ILE A 4 4.932 -1.511 5.111 1.00 0.00 C ATOM 62 CD1 ILE A 4 7.860 -0.704 7.106 1.00 0.00 C ATOM 0 H ILE A 4 7.984 -3.374 6.909 1.00 0.00 H new ATOM 0 HA ILE A 4 5.215 -3.832 6.195 1.00 0.00 H new ATOM 0 HB ILE A 4 7.043 -1.753 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.716 -0.712 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.496 -2.193 7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.974 -0.423 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.814 -1.918 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.084 -1.812 5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.035 -0.268 8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.651 -1.419 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.859 0.085 6.354 1.00 0.00 H new ATOM 74 N GLY A 5 5.240 -4.508 3.820 1.00 0.00 N ATOM 75 CA GLY A 5 5.246 -5.165 2.523 1.00 0.00 C ATOM 76 C GLY A 5 4.126 -4.626 1.631 1.00 0.00 C ATOM 77 O GLY A 5 3.453 -3.661 1.989 1.00 0.00 O ATOM 0 H GLY A 5 4.314 -4.260 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.209 -5.010 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.125 -6.240 2.655 1.00 0.00 H new ATOM 81 N LEU A 6 3.960 -5.276 0.488 1.00 0.00 N ATOM 82 CA LEU A 6 2.934 -4.873 -0.458 1.00 0.00 C ATOM 83 C LEU A 6 2.418 -6.108 -1.199 1.00 0.00 C ATOM 84 O LEU A 6 3.204 -6.898 -1.719 1.00 0.00 O ATOM 85 CB LEU A 6 3.458 -3.775 -1.384 1.00 0.00 C ATOM 86 CG LEU A 6 4.757 -4.092 -2.131 1.00 0.00 C ATOM 87 CD1 LEU A 6 5.884 -4.430 -1.152 1.00 0.00 C ATOM 88 CD2 LEU A 6 4.541 -5.200 -3.162 1.00 0.00 C ATOM 0 H LEU A 6 4.518 -6.078 0.196 1.00 0.00 H new ATOM 0 HA LEU A 6 2.084 -4.435 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.686 -3.547 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.613 -2.872 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 6 5.063 -3.200 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.795 -4.651 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.059 -3.581 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.602 -5.299 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.479 -5.405 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.199 -6.104 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.791 -4.882 -3.886 1.00 0.00 H new ATOM 100 N PHE A 7 1.099 -6.235 -1.226 1.00 0.00 N ATOM 101 CA PHE A 7 0.468 -7.360 -1.896 1.00 0.00 C ATOM 102 C PHE A 7 -0.638 -6.887 -2.840 1.00 0.00 C ATOM 103 O PHE A 7 -1.567 -6.200 -2.418 1.00 0.00 O ATOM 104 CB PHE A 7 -0.149 -8.240 -0.807 1.00 0.00 C ATOM 105 CG PHE A 7 0.857 -9.151 -0.098 1.00 0.00 C ATOM 106 CD1 PHE A 7 1.886 -8.609 0.607 1.00 0.00 C ATOM 107 CD2 PHE A 7 0.720 -10.502 -0.172 1.00 0.00 C ATOM 108 CE1 PHE A 7 2.819 -9.453 1.264 1.00 0.00 C ATOM 109 CE2 PHE A 7 1.653 -11.346 0.485 1.00 0.00 C ATOM 110 CZ PHE A 7 2.682 -10.804 1.189 1.00 0.00 C ATOM 0 H PHE A 7 0.450 -5.577 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 7 1.206 -7.902 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.629 -7.601 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.931 -8.856 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.993 -7.536 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.098 -10.932 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.637 -9.023 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.545 -12.419 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.391 -11.447 1.689 1.00 0.00 H new ATOM 120 N TYR A 8 -0.501 -7.272 -4.100 1.00 0.00 N ATOM 121 CA TYR A 8 -1.478 -6.896 -5.108 1.00 0.00 C ATOM 122 C TYR A 8 -2.049 -8.131 -5.808 1.00 0.00 C ATOM 123 O TYR A 8 -1.669 -9.258 -5.494 1.00 0.00 O ATOM 124 CB TYR A 8 -0.720 -6.048 -6.132 1.00 0.00 C ATOM 125 CG TYR A 8 0.712 -6.520 -6.395 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.676 -6.369 -5.420 1.00 0.00 C ATOM 127 CD2 TYR A 8 1.036 -7.097 -7.605 1.00 0.00 C ATOM 128 CE1 TYR A 8 3.024 -6.813 -5.665 1.00 0.00 C ATOM 129 CE2 TYR A 8 2.384 -7.542 -7.851 1.00 0.00 C ATOM 130 CZ TYR A 8 3.311 -7.378 -6.870 1.00 0.00 C ATOM 131 OH TYR A 8 4.583 -7.797 -7.103 1.00 0.00 O ATOM 0 H TYR A 8 0.272 -7.841 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.311 -6.359 -4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.272 -6.053 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.693 -5.015 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.420 -5.918 -4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.280 -7.215 -8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.789 -6.700 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.652 -7.996 -8.794 1.00 0.00 H new ATOM 0 HH TYR A 8 4.641 -8.180 -8.003 1.00 0.00 H new ATOM 141 N GLY A 9 -2.951 -7.877 -6.743 1.00 0.00 N ATOM 142 CA GLY A 9 -3.577 -8.954 -7.491 1.00 0.00 C ATOM 143 C GLY A 9 -2.698 -9.393 -8.664 1.00 0.00 C ATOM 144 O GLY A 9 -1.601 -8.869 -8.850 1.00 0.00 O ATOM 0 H GLY A 9 -3.264 -6.941 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.758 -9.802 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.548 -8.626 -7.863 1.00 0.00 H new ATOM 252 N SER A 17 9.625 -3.006 -10.561 1.00 0.00 N ATOM 253 CA SER A 17 10.510 -1.865 -10.389 1.00 0.00 C ATOM 254 C SER A 17 9.938 -0.914 -9.337 1.00 0.00 C ATOM 255 O SER A 17 10.675 -0.392 -8.501 1.00 0.00 O ATOM 256 CB SER A 17 10.723 -1.128 -11.713 1.00 0.00 C ATOM 257 OG SER A 17 11.812 -1.668 -12.456 1.00 0.00 O ATOM 0 HA SER A 17 11.479 -2.231 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.813 -1.185 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.908 -0.072 -11.514 1.00 0.00 H new ATOM 0 HG SER A 17 11.914 -1.171 -13.295 1.00 0.00 H new ATOM 263 N VAL A 18 8.630 -0.717 -9.411 1.00 0.00 N ATOM 264 CA VAL A 18 7.951 0.162 -8.476 1.00 0.00 C ATOM 265 C VAL A 18 8.251 -0.294 -7.046 1.00 0.00 C ATOM 266 O VAL A 18 8.393 0.530 -6.144 1.00 0.00 O ATOM 267 CB VAL A 18 6.454 0.205 -8.788 1.00 0.00 C ATOM 268 CG1 VAL A 18 6.199 0.834 -10.158 1.00 0.00 C ATOM 269 CG2 VAL A 18 5.836 -1.193 -8.702 1.00 0.00 C ATOM 0 H VAL A 18 8.022 -1.152 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 18 8.318 1.183 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 18 5.972 0.831 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.127 0.853 -10.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.588 1.852 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.700 0.246 -10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.771 -1.135 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.324 -1.851 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.972 -1.590 -7.696 1.00 0.00 H new ATOM 279 N ALA A 19 8.336 -1.606 -6.882 1.00 0.00 N ATOM 280 CA ALA A 19 8.616 -2.181 -5.579 1.00 0.00 C ATOM 281 C ALA A 19 10.025 -1.778 -5.139 1.00 0.00 C ATOM 282 O ALA A 19 10.306 -1.694 -3.945 1.00 0.00 O ATOM 283 CB ALA A 19 8.439 -3.700 -5.642 1.00 0.00 C ATOM 0 H ALA A 19 8.216 -2.287 -7.631 1.00 0.00 H new ATOM 0 HA ALA A 19 7.916 -1.801 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.649 -4.132 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.414 -3.935 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.127 -4.116 -6.378 1.00 0.00 H new ATOM 289 N GLU A 20 10.873 -1.538 -6.129 1.00 0.00 N ATOM 290 CA GLU A 20 12.245 -1.146 -5.859 1.00 0.00 C ATOM 291 C GLU A 20 12.295 0.296 -5.349 1.00 0.00 C ATOM 292 O GLU A 20 12.982 0.589 -4.372 1.00 0.00 O ATOM 293 CB GLU A 20 13.119 -1.317 -7.103 1.00 0.00 C ATOM 294 CG GLU A 20 14.119 -2.461 -6.918 1.00 0.00 C ATOM 295 CD GLU A 20 14.873 -2.746 -8.217 1.00 0.00 C ATOM 296 OE1 GLU A 20 14.678 -2.038 -9.216 1.00 0.00 O ATOM 297 OE2 GLU A 20 15.688 -3.745 -8.167 1.00 0.00 O ATOM 0 H GLU A 20 10.636 -1.608 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 20 12.642 -1.800 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.489 -1.517 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.655 -0.390 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.828 -2.205 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.593 -3.359 -6.594 1.00 0.00 H new ATOM 305 N ILE A 21 11.557 1.158 -6.034 1.00 0.00 N ATOM 306 CA ILE A 21 11.508 2.561 -5.662 1.00 0.00 C ATOM 307 C ILE A 21 10.978 2.688 -4.233 1.00 0.00 C ATOM 308 O ILE A 21 11.612 3.314 -3.386 1.00 0.00 O ATOM 309 CB ILE A 21 10.701 3.359 -6.690 1.00 0.00 C ATOM 310 CG1 ILE A 21 11.440 3.433 -8.028 1.00 0.00 C ATOM 311 CG2 ILE A 21 10.349 4.747 -6.151 1.00 0.00 C ATOM 312 CD1 ILE A 21 11.279 2.132 -8.816 1.00 0.00 C ATOM 0 H ILE A 21 10.989 0.911 -6.844 1.00 0.00 H new ATOM 0 HA ILE A 21 12.509 2.992 -5.670 1.00 0.00 H new ATOM 0 HB ILE A 21 9.762 2.836 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.055 4.267 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 21 12.498 3.628 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.776 5.294 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.755 4.645 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.265 5.293 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.814 2.211 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.687 1.303 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.222 1.953 -9.011 1.00 0.00 H new ATOM 324 N ILE A 22 9.820 2.083 -4.009 1.00 0.00 N ATOM 325 CA ILE A 22 9.198 2.120 -2.696 1.00 0.00 C ATOM 326 C ILE A 22 10.190 1.605 -1.652 1.00 0.00 C ATOM 327 O ILE A 22 10.476 2.288 -0.670 1.00 0.00 O ATOM 328 CB ILE A 22 7.871 1.360 -2.711 1.00 0.00 C ATOM 329 CG1 ILE A 22 7.167 1.460 -1.356 1.00 0.00 C ATOM 330 CG2 ILE A 22 8.075 -0.092 -3.147 1.00 0.00 C ATOM 331 CD1 ILE A 22 7.216 2.889 -0.815 1.00 0.00 C ATOM 0 H ILE A 22 9.297 1.565 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 22 8.949 3.145 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 22 7.218 1.827 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.130 1.141 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.641 0.782 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.116 -0.610 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.501 -0.114 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.754 -0.588 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.708 2.931 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.255 3.196 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.720 3.561 -1.516 1.00 0.00 H new ATOM 343 N ARG A 23 10.689 0.401 -1.899 1.00 0.00 N ATOM 344 CA ARG A 23 11.642 -0.214 -0.991 1.00 0.00 C ATOM 345 C ARG A 23 12.774 0.764 -0.667 1.00 0.00 C ATOM 346 O ARG A 23 13.103 0.971 0.499 1.00 0.00 O ATOM 347 CB ARG A 23 12.236 -1.488 -1.597 1.00 0.00 C ATOM 348 CG ARG A 23 13.434 -1.976 -0.781 1.00 0.00 C ATOM 349 CD ARG A 23 14.702 -1.205 -1.153 1.00 0.00 C ATOM 350 NE ARG A 23 15.839 -2.141 -1.298 1.00 0.00 N ATOM 351 CZ ARG A 23 17.091 -1.764 -1.634 1.00 0.00 C ATOM 352 NH1 ARG A 23 17.377 -0.465 -1.864 1.00 0.00 N ATOM 353 NH2 ARG A 23 18.031 -2.685 -1.736 1.00 0.00 N ATOM 0 H ARG A 23 10.451 -0.164 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 23 11.109 -0.474 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.475 -2.267 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.545 -1.296 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.228 -1.853 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.588 -3.041 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.547 -0.661 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.926 -0.464 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 23 15.666 -3.133 -1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.644 0.240 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.326 -0.189 -2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.806 -3.665 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.982 -2.417 -1.989 1.00 0.00 H new ATOM 367 N ASP A 24 13.337 1.336 -1.720 1.00 0.00 N ATOM 368 CA ASP A 24 14.424 2.286 -1.562 1.00 0.00 C ATOM 369 C ASP A 24 13.910 3.524 -0.823 1.00 0.00 C ATOM 370 O ASP A 24 14.682 4.228 -0.173 1.00 0.00 O ATOM 371 CB ASP A 24 14.964 2.738 -2.921 1.00 0.00 C ATOM 372 CG ASP A 24 16.478 2.957 -2.976 1.00 0.00 C ATOM 373 OD1 ASP A 24 17.235 2.392 -2.173 1.00 0.00 O ATOM 374 OD2 ASP A 24 16.879 3.758 -3.904 1.00 0.00 O ATOM 0 H ASP A 24 13.061 1.160 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 24 15.221 1.796 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.693 1.993 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.467 3.667 -3.202 1.00 0.00 H new ATOM 380 N GLU A 25 12.613 3.752 -0.947 1.00 0.00 N ATOM 381 CA GLU A 25 11.986 4.890 -0.298 1.00 0.00 C ATOM 382 C GLU A 25 11.796 4.613 1.194 1.00 0.00 C ATOM 383 O GLU A 25 12.169 5.430 2.033 1.00 0.00 O ATOM 384 CB GLU A 25 10.654 5.239 -0.966 1.00 0.00 C ATOM 385 CG GLU A 25 10.791 6.480 -1.849 1.00 0.00 C ATOM 386 CD GLU A 25 11.410 7.643 -1.070 1.00 0.00 C ATOM 387 OE1 GLU A 25 12.224 8.397 -1.624 1.00 0.00 O ATOM 388 OE2 GLU A 25 11.018 7.748 0.154 1.00 0.00 O ATOM 0 H GLU A 25 11.977 3.167 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 25 12.645 5.752 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.313 4.396 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.895 5.413 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.410 6.248 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.811 6.772 -2.227 1.00 0.00 H new ATOM 396 N PHE A 26 11.216 3.457 1.479 1.00 0.00 N ATOM 397 CA PHE A 26 10.972 3.060 2.856 1.00 0.00 C ATOM 398 C PHE A 26 12.251 3.156 3.687 1.00 0.00 C ATOM 399 O PHE A 26 12.196 3.225 4.915 1.00 0.00 O ATOM 400 CB PHE A 26 10.503 1.605 2.826 1.00 0.00 C ATOM 401 CG PHE A 26 9.007 1.428 3.089 1.00 0.00 C ATOM 402 CD1 PHE A 26 8.547 1.335 4.366 1.00 0.00 C ATOM 403 CD2 PHE A 26 8.136 1.361 2.045 1.00 0.00 C ATOM 404 CE1 PHE A 26 7.157 1.170 4.609 1.00 0.00 C ATOM 405 CE2 PHE A 26 6.746 1.196 2.289 1.00 0.00 C ATOM 406 CZ PHE A 26 6.287 1.105 3.566 1.00 0.00 C ATOM 0 H PHE A 26 10.907 2.782 0.780 1.00 0.00 H new ATOM 0 HA PHE A 26 10.228 3.716 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.744 1.177 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.062 1.038 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.238 1.387 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.501 1.433 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.791 1.096 5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.055 1.143 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.230 0.981 3.752 1.00 0.00 H new ATOM 416 N GLY A 27 13.376 3.155 2.988 1.00 0.00 N ATOM 417 CA GLY A 27 14.669 3.239 3.647 1.00 0.00 C ATOM 418 C GLY A 27 15.045 1.903 4.287 1.00 0.00 C ATOM 419 O GLY A 27 15.860 1.158 3.745 1.00 0.00 O ATOM 0 H GLY A 27 13.419 3.097 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.432 3.527 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.643 4.017 4.410 1.00 0.00 H new ATOM 423 N ASN A 28 14.434 1.639 5.433 1.00 0.00 N ATOM 424 CA ASN A 28 14.695 0.403 6.153 1.00 0.00 C ATOM 425 C ASN A 28 14.722 -0.763 5.163 1.00 0.00 C ATOM 426 O ASN A 28 14.289 -0.623 4.020 1.00 0.00 O ATOM 427 CB ASN A 28 13.597 0.124 7.183 1.00 0.00 C ATOM 428 CG ASN A 28 13.955 0.726 8.542 1.00 0.00 C ATOM 429 OD1 ASN A 28 14.389 0.045 9.457 1.00 0.00 O ATOM 430 ND2 ASN A 28 13.749 2.038 8.624 1.00 0.00 N ATOM 0 H ASN A 28 13.759 2.259 5.881 1.00 0.00 H new ATOM 0 HA ASN A 28 15.652 0.506 6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.652 0.541 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.453 -0.952 7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.957 2.534 9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.383 2.548 7.820 1.00 0.00 H new ATOM 437 N ASP A 29 15.237 -1.888 5.639 1.00 0.00 N ATOM 438 CA ASP A 29 15.328 -3.077 4.810 1.00 0.00 C ATOM 439 C ASP A 29 13.941 -3.711 4.680 1.00 0.00 C ATOM 440 O ASP A 29 13.772 -4.704 3.975 1.00 0.00 O ATOM 441 CB ASP A 29 16.264 -4.114 5.433 1.00 0.00 C ATOM 442 CG ASP A 29 17.750 -3.755 5.384 1.00 0.00 C ATOM 443 OD1 ASP A 29 18.226 -2.900 6.146 1.00 0.00 O ATOM 444 OD2 ASP A 29 18.439 -4.402 4.506 1.00 0.00 O ATOM 0 H ASP A 29 15.595 -2.000 6.587 1.00 0.00 H new ATOM 0 HA ASP A 29 15.717 -2.779 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.976 -4.263 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.119 -5.066 4.922 1.00 0.00 H new ATOM 450 N VAL A 30 12.985 -3.111 5.373 1.00 0.00 N ATOM 451 CA VAL A 30 11.618 -3.604 5.345 1.00 0.00 C ATOM 452 C VAL A 30 11.062 -3.473 3.925 1.00 0.00 C ATOM 453 O VAL A 30 10.660 -2.387 3.509 1.00 0.00 O ATOM 454 CB VAL A 30 10.774 -2.868 6.388 1.00 0.00 C ATOM 455 CG1 VAL A 30 11.057 -3.397 7.794 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.006 -1.357 6.313 1.00 0.00 C ATOM 0 H VAL A 30 13.130 -2.288 5.958 1.00 0.00 H new ATOM 0 HA VAL A 30 11.588 -4.661 5.610 1.00 0.00 H new ATOM 0 HB VAL A 30 9.724 -3.057 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.444 -2.857 8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.818 -4.460 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.111 -3.252 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.395 -0.857 7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.058 -1.141 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.731 -0.995 5.322 1.00 0.00 H new ATOM 466 N VAL A 31 11.057 -4.595 3.221 1.00 0.00 N ATOM 467 CA VAL A 31 10.556 -4.619 1.857 1.00 0.00 C ATOM 468 C VAL A 31 10.087 -6.034 1.515 1.00 0.00 C ATOM 469 O VAL A 31 10.861 -6.843 1.004 1.00 0.00 O ATOM 470 CB VAL A 31 11.628 -4.096 0.897 1.00 0.00 C ATOM 471 CG1 VAL A 31 13.024 -4.233 1.505 1.00 0.00 C ATOM 472 CG2 VAL A 31 11.547 -4.808 -0.455 1.00 0.00 C ATOM 0 H VAL A 31 11.392 -5.494 3.569 1.00 0.00 H new ATOM 0 HA VAL A 31 9.695 -3.958 1.754 1.00 0.00 H new ATOM 0 HB VAL A 31 11.439 -3.036 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.766 -3.854 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.075 -3.660 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.227 -5.283 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.319 -4.418 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.698 -5.878 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.566 -4.636 -0.899 1.00 0.00 H new ATOM 482 N THR A 32 8.822 -6.292 1.811 1.00 0.00 N ATOM 483 CA THR A 32 8.241 -7.596 1.542 1.00 0.00 C ATOM 484 C THR A 32 7.094 -7.471 0.537 1.00 0.00 C ATOM 485 O THR A 32 6.084 -6.826 0.818 1.00 0.00 O ATOM 486 CB THR A 32 7.816 -8.209 2.877 1.00 0.00 C ATOM 487 OG1 THR A 32 6.917 -7.250 3.429 1.00 0.00 O ATOM 488 CG2 THR A 32 8.963 -8.267 3.886 1.00 0.00 C ATOM 0 H THR A 32 8.183 -5.620 2.235 1.00 0.00 H new ATOM 0 HA THR A 32 8.966 -8.265 1.078 1.00 0.00 H new ATOM 0 HB THR A 32 7.430 -9.214 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.591 -7.569 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.607 -8.710 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.773 -8.874 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.327 -7.258 4.081 1.00 0.00 H new ATOM 496 N LEU A 33 7.286 -8.097 -0.614 1.00 0.00 N ATOM 497 CA LEU A 33 6.280 -8.066 -1.661 1.00 0.00 C ATOM 498 C LEU A 33 5.694 -9.468 -1.842 1.00 0.00 C ATOM 499 O LEU A 33 6.331 -10.460 -1.496 1.00 0.00 O ATOM 500 CB LEU A 33 6.862 -7.472 -2.946 1.00 0.00 C ATOM 501 CG LEU A 33 8.317 -7.833 -3.253 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.481 -9.344 -3.434 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.833 -7.051 -4.462 1.00 0.00 C ATOM 0 H LEU A 33 8.125 -8.630 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 33 5.456 -7.410 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.244 -7.794 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.782 -6.386 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 33 8.928 -7.543 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.524 -9.573 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.180 -9.855 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.856 -9.681 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.869 -7.327 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.223 -7.286 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.775 -5.982 -4.256 1.00 0.00 H new ATOM 515 N HIS A 34 4.485 -9.502 -2.383 1.00 0.00 N ATOM 516 CA HIS A 34 3.805 -10.766 -2.614 1.00 0.00 C ATOM 517 C HIS A 34 4.350 -11.418 -3.887 1.00 0.00 C ATOM 518 O HIS A 34 3.872 -12.474 -4.300 1.00 0.00 O ATOM 519 CB HIS A 34 2.288 -10.567 -2.651 1.00 0.00 C ATOM 520 CG HIS A 34 1.713 -10.494 -4.045 1.00 0.00 C ATOM 521 ND1 HIS A 34 2.423 -9.997 -5.124 1.00 0.00 N ATOM 522 CD2 HIS A 34 0.489 -10.860 -4.526 1.00 0.00 C ATOM 523 CE1 HIS A 34 1.651 -10.065 -6.200 1.00 0.00 C ATOM 524 NE2 HIS A 34 0.453 -10.599 -5.827 1.00 0.00 N ATOM 0 H HIS A 34 3.959 -8.676 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 34 4.004 -11.447 -1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.811 -11.387 -2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.039 -9.650 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.314 -11.289 -3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.923 -9.752 -7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -0.340 -10.770 -6.446 1.00 0.00 H new ATOM 533 N ASP A 35 5.340 -10.762 -4.472 1.00 0.00 N ATOM 534 CA ASP A 35 5.955 -11.264 -5.689 1.00 0.00 C ATOM 535 C ASP A 35 6.030 -12.791 -5.624 1.00 0.00 C ATOM 536 O ASP A 35 5.916 -13.466 -6.646 1.00 0.00 O ATOM 537 CB ASP A 35 7.377 -10.728 -5.850 1.00 0.00 C ATOM 538 CG ASP A 35 8.009 -10.969 -7.223 1.00 0.00 C ATOM 539 OD1 ASP A 35 7.593 -10.379 -8.230 1.00 0.00 O ATOM 540 OD2 ASP A 35 8.981 -11.816 -7.233 1.00 0.00 O ATOM 0 H ASP A 35 5.732 -9.886 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 35 5.349 -10.935 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.369 -9.656 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.010 -11.186 -5.090 1.00 0.00 H new ATOM 546 N VAL A 36 6.221 -13.291 -4.413 1.00 0.00 N ATOM 547 CA VAL A 36 6.312 -14.726 -4.201 1.00 0.00 C ATOM 548 C VAL A 36 4.905 -15.304 -4.041 1.00 0.00 C ATOM 549 O VAL A 36 4.646 -16.068 -3.112 1.00 0.00 O ATOM 550 CB VAL A 36 7.220 -15.022 -3.006 1.00 0.00 C ATOM 551 CG1 VAL A 36 8.611 -14.418 -3.210 1.00 0.00 C ATOM 552 CG2 VAL A 36 6.592 -14.523 -1.703 1.00 0.00 C ATOM 0 H VAL A 36 6.315 -12.728 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 36 6.766 -15.212 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 36 7.332 -16.104 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.236 -14.643 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.064 -14.842 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.525 -13.337 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.258 -14.746 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.435 -13.446 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.635 -15.021 -1.546 1.00 0.00 H new ATOM 562 N SER A 37 4.032 -14.918 -4.961 1.00 0.00 N ATOM 563 CA SER A 37 2.657 -15.388 -4.933 1.00 0.00 C ATOM 564 C SER A 37 2.630 -16.912 -4.802 1.00 0.00 C ATOM 565 O SER A 37 1.624 -17.485 -4.385 1.00 0.00 O ATOM 566 CB SER A 37 1.902 -14.950 -6.187 1.00 0.00 C ATOM 567 OG SER A 37 1.954 -15.936 -7.216 1.00 0.00 O ATOM 0 H SER A 37 4.251 -14.285 -5.730 1.00 0.00 H new ATOM 0 HA SER A 37 2.160 -14.946 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.862 -14.748 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.326 -14.017 -6.558 1.00 0.00 H new ATOM 0 HG SER A 37 1.458 -15.618 -7.999 1.00 0.00 H new ATOM 573 N GLN A 38 3.746 -17.528 -5.166 1.00 0.00 N ATOM 574 CA GLN A 38 3.861 -18.974 -5.093 1.00 0.00 C ATOM 575 C GLN A 38 3.914 -19.431 -3.634 1.00 0.00 C ATOM 576 O GLN A 38 3.897 -20.627 -3.353 1.00 0.00 O ATOM 577 CB GLN A 38 5.087 -19.466 -5.866 1.00 0.00 C ATOM 578 CG GLN A 38 5.304 -18.637 -7.133 1.00 0.00 C ATOM 579 CD GLN A 38 6.651 -17.911 -7.089 1.00 0.00 C ATOM 580 OE1 GLN A 38 7.366 -17.813 -8.074 1.00 0.00 O ATOM 581 NE2 GLN A 38 6.957 -17.410 -5.895 1.00 0.00 N ATOM 0 H GLN A 38 4.578 -17.051 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 38 2.978 -19.412 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.971 -19.405 -5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.957 -20.515 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.265 -19.286 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.498 -17.910 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.314 -17.528 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.835 -16.908 -5.762 1.00 0.00 H new ATOM 590 N ALA A 39 3.976 -18.452 -2.743 1.00 0.00 N ATOM 591 CA ALA A 39 4.032 -18.737 -1.320 1.00 0.00 C ATOM 592 C ALA A 39 2.616 -18.700 -0.741 1.00 0.00 C ATOM 593 O ALA A 39 1.640 -18.615 -1.484 1.00 0.00 O ATOM 594 CB ALA A 39 4.968 -17.740 -0.634 1.00 0.00 C ATOM 0 H ALA A 39 3.989 -17.460 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 39 4.435 -19.735 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.009 -17.955 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.967 -17.827 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.595 -16.727 -0.786 1.00 0.00 H new ATOM 600 N GLU A 40 2.550 -18.767 0.582 1.00 0.00 N ATOM 601 CA GLU A 40 1.269 -18.743 1.268 1.00 0.00 C ATOM 602 C GLU A 40 1.028 -17.366 1.891 1.00 0.00 C ATOM 603 O GLU A 40 1.969 -16.603 2.105 1.00 0.00 O ATOM 604 CB GLU A 40 1.195 -19.844 2.327 1.00 0.00 C ATOM 605 CG GLU A 40 0.144 -20.893 1.954 1.00 0.00 C ATOM 606 CD GLU A 40 -0.489 -21.502 3.207 1.00 0.00 C ATOM 607 OE1 GLU A 40 0.179 -22.238 3.947 1.00 0.00 O ATOM 608 OE2 GLU A 40 -1.726 -21.185 3.400 1.00 0.00 O ATOM 0 H GLU A 40 3.362 -18.838 1.195 1.00 0.00 H new ATOM 0 HA GLU A 40 0.483 -18.933 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.170 -20.321 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.950 -19.407 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.629 -20.435 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.605 -21.679 1.356 1.00 0.00 H new ATOM 616 N VAL A 41 -0.238 -17.090 2.165 1.00 0.00 N ATOM 617 CA VAL A 41 -0.617 -15.818 2.757 1.00 0.00 C ATOM 618 C VAL A 41 -0.025 -15.722 4.165 1.00 0.00 C ATOM 619 O VAL A 41 -0.032 -14.652 4.774 1.00 0.00 O ATOM 620 CB VAL A 41 -2.139 -15.663 2.738 1.00 0.00 C ATOM 621 CG1 VAL A 41 -2.719 -16.129 1.401 1.00 0.00 C ATOM 622 CG2 VAL A 41 -2.781 -16.414 3.907 1.00 0.00 C ATOM 0 H VAL A 41 -1.016 -17.726 1.988 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.213 -14.990 2.175 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.371 -14.604 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.802 -16.009 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.296 -15.532 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.472 -17.179 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.863 -16.288 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.537 -17.474 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.401 -16.016 4.848 1.00 0.00 H new ATOM 632 N THR A 42 0.475 -16.853 4.643 1.00 0.00 N ATOM 633 CA THR A 42 1.071 -16.908 5.967 1.00 0.00 C ATOM 634 C THR A 42 2.153 -15.837 6.109 1.00 0.00 C ATOM 635 O THR A 42 2.431 -15.374 7.216 1.00 0.00 O ATOM 636 CB THR A 42 1.587 -18.330 6.193 1.00 0.00 C ATOM 637 OG1 THR A 42 2.209 -18.273 7.475 1.00 0.00 O ATOM 638 CG2 THR A 42 2.730 -18.696 5.242 1.00 0.00 C ATOM 0 H THR A 42 0.479 -17.738 4.136 1.00 0.00 H new ATOM 0 HA THR A 42 0.337 -16.687 6.742 1.00 0.00 H new ATOM 0 HB THR A 42 0.768 -19.038 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.571 -19.155 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.059 -19.715 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.383 -18.625 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.563 -18.009 5.393 1.00 0.00 H new ATOM 646 N ASP A 43 2.736 -15.475 4.976 1.00 0.00 N ATOM 647 CA ASP A 43 3.782 -14.466 4.962 1.00 0.00 C ATOM 648 C ASP A 43 3.187 -13.114 5.357 1.00 0.00 C ATOM 649 O ASP A 43 3.680 -12.459 6.275 1.00 0.00 O ATOM 650 CB ASP A 43 4.391 -14.325 3.565 1.00 0.00 C ATOM 651 CG ASP A 43 5.749 -15.006 3.379 1.00 0.00 C ATOM 652 OD1 ASP A 43 5.873 -16.231 3.520 1.00 0.00 O ATOM 653 OD2 ASP A 43 6.719 -14.214 3.073 1.00 0.00 O ATOM 0 H ASP A 43 2.504 -15.862 4.061 1.00 0.00 H new ATOM 0 HA ASP A 43 4.557 -14.773 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.692 -14.737 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.499 -13.264 3.338 1.00 0.00 H new ATOM 659 N LEU A 44 2.136 -12.735 4.645 1.00 0.00 N ATOM 660 CA LEU A 44 1.469 -11.472 4.910 1.00 0.00 C ATOM 661 C LEU A 44 0.739 -11.558 6.252 1.00 0.00 C ATOM 662 O LEU A 44 0.473 -10.535 6.884 1.00 0.00 O ATOM 663 CB LEU A 44 0.560 -11.089 3.740 1.00 0.00 C ATOM 664 CG LEU A 44 -0.459 -12.145 3.309 1.00 0.00 C ATOM 665 CD1 LEU A 44 -1.617 -12.225 4.305 1.00 0.00 C ATOM 666 CD2 LEU A 44 -0.947 -11.887 1.882 1.00 0.00 C ATOM 0 H LEU A 44 1.730 -13.281 3.885 1.00 0.00 H new ATOM 0 HA LEU A 44 2.199 -10.667 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.021 -10.180 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.188 -10.847 2.882 1.00 0.00 H new ATOM 0 HG LEU A 44 0.035 -13.117 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.328 -12.983 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.232 -12.491 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.117 -11.258 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.670 -12.652 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.418 -10.906 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.100 -11.919 1.196 1.00 0.00 H new ATOM 678 N ASN A 45 0.437 -12.785 6.647 1.00 0.00 N ATOM 679 CA ASN A 45 -0.258 -13.016 7.903 1.00 0.00 C ATOM 680 C ASN A 45 0.720 -12.833 9.064 1.00 0.00 C ATOM 681 O ASN A 45 0.323 -12.434 10.158 1.00 0.00 O ATOM 682 CB ASN A 45 -0.813 -14.441 7.970 1.00 0.00 C ATOM 683 CG ASN A 45 -0.164 -15.228 9.111 1.00 0.00 C ATOM 684 OD1 ASN A 45 1.039 -15.417 9.162 1.00 0.00 O ATOM 685 ND2 ASN A 45 -1.026 -15.674 10.020 1.00 0.00 N ATOM 0 H ASN A 45 0.660 -13.630 6.121 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.081 -12.305 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.893 -14.408 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.633 -14.950 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.691 -16.210 10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.022 -15.480 9.917 1.00 0.00 H new ATOM 692 N ASP A 46 1.981 -13.134 8.787 1.00 0.00 N ATOM 693 CA ASP A 46 3.019 -13.010 9.796 1.00 0.00 C ATOM 694 C ASP A 46 3.214 -11.532 10.140 1.00 0.00 C ATOM 695 O ASP A 46 3.413 -11.182 11.302 1.00 0.00 O ATOM 696 CB ASP A 46 4.352 -13.556 9.284 1.00 0.00 C ATOM 697 CG ASP A 46 4.591 -15.043 9.560 1.00 0.00 C ATOM 698 OD1 ASP A 46 3.724 -15.736 10.112 1.00 0.00 O ATOM 699 OD2 ASP A 46 5.740 -15.490 9.179 1.00 0.00 O ATOM 0 H ASP A 46 2.307 -13.463 7.878 1.00 0.00 H new ATOM 0 HA ASP A 46 2.709 -13.580 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.407 -13.388 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.161 -12.983 9.738 1.00 0.00 H new ATOM 705 N TYR A 47 3.152 -10.704 9.107 1.00 0.00 N ATOM 706 CA TYR A 47 3.319 -9.271 9.286 1.00 0.00 C ATOM 707 C TYR A 47 1.967 -8.555 9.274 1.00 0.00 C ATOM 708 O TYR A 47 1.065 -8.935 8.528 1.00 0.00 O ATOM 709 CB TYR A 47 4.147 -8.791 8.090 1.00 0.00 C ATOM 710 CG TYR A 47 4.881 -9.912 7.352 1.00 0.00 C ATOM 711 CD1 TYR A 47 5.572 -10.871 8.065 1.00 0.00 C ATOM 712 CD2 TYR A 47 4.852 -9.965 5.973 1.00 0.00 C ATOM 713 CE1 TYR A 47 6.264 -11.926 7.370 1.00 0.00 C ATOM 714 CE2 TYR A 47 5.543 -11.020 5.279 1.00 0.00 C ATOM 715 CZ TYR A 47 6.215 -11.947 6.011 1.00 0.00 C ATOM 716 OH TYR A 47 6.868 -12.944 5.354 1.00 0.00 O ATOM 0 H TYR A 47 2.989 -10.998 8.144 1.00 0.00 H new ATOM 0 HA TYR A 47 3.799 -9.057 10.241 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.489 -8.278 7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.877 -8.059 8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.594 -10.830 9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.311 -9.215 5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.809 -12.682 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.528 -11.074 4.200 1.00 0.00 H new ATOM 0 HH TYR A 47 6.696 -12.869 4.392 1.00 0.00 H new ATOM 726 N GLN A 48 1.869 -7.532 10.110 1.00 0.00 N ATOM 727 CA GLN A 48 0.641 -6.759 10.204 1.00 0.00 C ATOM 728 C GLN A 48 0.835 -5.378 9.577 1.00 0.00 C ATOM 729 O GLN A 48 0.339 -4.380 10.098 1.00 0.00 O ATOM 730 CB GLN A 48 0.180 -6.640 11.658 1.00 0.00 C ATOM 731 CG GLN A 48 -0.697 -7.830 12.055 1.00 0.00 C ATOM 732 CD GLN A 48 0.001 -8.703 13.099 1.00 0.00 C ATOM 733 OE1 GLN A 48 -0.537 -9.007 14.151 1.00 0.00 O ATOM 734 NE2 GLN A 48 1.227 -9.085 12.752 1.00 0.00 N ATOM 0 H GLN A 48 2.618 -7.220 10.728 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.139 -7.282 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.048 -6.588 12.315 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.377 -5.713 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.646 -7.470 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.927 -8.427 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.617 -8.794 11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.777 -9.668 13.382 1.00 0.00 H new ATOM 743 N TYR A 49 1.554 -5.364 8.464 1.00 0.00 N ATOM 744 CA TYR A 49 1.818 -4.121 7.759 1.00 0.00 C ATOM 745 C TYR A 49 2.086 -4.380 6.275 1.00 0.00 C ATOM 746 O TYR A 49 3.108 -4.964 5.917 1.00 0.00 O ATOM 747 CB TYR A 49 3.079 -3.533 8.396 1.00 0.00 C ATOM 748 CG TYR A 49 3.357 -4.046 9.810 1.00 0.00 C ATOM 749 CD1 TYR A 49 4.076 -5.210 9.993 1.00 0.00 C ATOM 750 CD2 TYR A 49 2.892 -3.344 10.905 1.00 0.00 C ATOM 751 CE1 TYR A 49 4.338 -5.695 11.323 1.00 0.00 C ATOM 752 CE2 TYR A 49 3.155 -3.828 12.235 1.00 0.00 C ATOM 753 CZ TYR A 49 3.865 -4.979 12.378 1.00 0.00 C ATOM 754 OH TYR A 49 4.113 -5.435 13.635 1.00 0.00 O ATOM 0 H TYR A 49 1.962 -6.194 8.033 1.00 0.00 H new ATOM 0 HA TYR A 49 0.962 -3.450 7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.935 -3.763 7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.987 -2.447 8.426 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.443 -5.758 9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.331 -2.432 10.763 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.897 -6.606 11.479 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.797 -3.289 13.100 1.00 0.00 H new ATOM 0 HH TYR A 49 3.717 -4.823 14.289 1.00 0.00 H new ATOM 764 N LEU A 50 1.150 -3.933 5.450 1.00 0.00 N ATOM 765 CA LEU A 50 1.272 -4.109 4.013 1.00 0.00 C ATOM 766 C LEU A 50 0.613 -2.925 3.301 1.00 0.00 C ATOM 767 O LEU A 50 -0.133 -2.165 3.916 1.00 0.00 O ATOM 768 CB LEU A 50 0.716 -5.470 3.590 1.00 0.00 C ATOM 769 CG LEU A 50 1.429 -6.695 4.165 1.00 0.00 C ATOM 770 CD1 LEU A 50 0.491 -7.903 4.214 1.00 0.00 C ATOM 771 CD2 LEU A 50 2.712 -6.995 3.390 1.00 0.00 C ATOM 0 H LEU A 50 0.304 -3.449 5.750 1.00 0.00 H new ATOM 0 HA LEU A 50 2.321 -4.115 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.334 -5.517 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.750 -5.532 2.502 1.00 0.00 H new ATOM 0 HG LEU A 50 1.718 -6.472 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.023 -8.760 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.368 -7.671 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.149 -8.139 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.200 -7.870 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.469 -7.190 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.383 -6.139 3.452 1.00 0.00 H new ATOM 783 N ILE A 51 0.912 -2.809 2.016 1.00 0.00 N ATOM 784 CA ILE A 51 0.356 -1.733 1.213 1.00 0.00 C ATOM 785 C ILE A 51 -0.247 -2.316 -0.066 1.00 0.00 C ATOM 786 O ILE A 51 0.086 -3.431 -0.462 1.00 0.00 O ATOM 787 CB ILE A 51 1.412 -0.654 0.959 1.00 0.00 C ATOM 788 CG1 ILE A 51 2.137 -0.283 2.255 1.00 0.00 C ATOM 789 CG2 ILE A 51 0.793 0.568 0.279 1.00 0.00 C ATOM 790 CD1 ILE A 51 3.480 -1.010 2.358 1.00 0.00 C ATOM 0 H ILE A 51 1.532 -3.442 1.511 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.453 -1.236 1.749 1.00 0.00 H new ATOM 0 HB ILE A 51 2.159 -1.059 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.299 0.794 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.513 -0.540 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.564 1.320 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.359 0.272 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.014 0.984 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.975 -0.729 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.313 -2.087 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.110 -0.732 1.513 1.00 0.00 H new ATOM 802 N ILE A 52 -1.124 -1.533 -0.678 1.00 0.00 N ATOM 803 CA ILE A 52 -1.777 -1.958 -1.905 1.00 0.00 C ATOM 804 C ILE A 52 -1.322 -1.059 -3.057 1.00 0.00 C ATOM 805 O ILE A 52 -0.993 0.107 -2.846 1.00 0.00 O ATOM 806 CB ILE A 52 -3.295 -1.997 -1.718 1.00 0.00 C ATOM 807 CG1 ILE A 52 -3.670 -2.761 -0.447 1.00 0.00 C ATOM 808 CG2 ILE A 52 -3.987 -2.571 -2.956 1.00 0.00 C ATOM 809 CD1 ILE A 52 -3.616 -4.272 -0.679 1.00 0.00 C ATOM 0 H ILE A 52 -1.397 -0.608 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.484 -2.977 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.650 -0.974 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.989 -2.489 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.672 -2.474 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.065 -2.587 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.758 -1.950 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.631 -3.586 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.887 -4.791 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.316 -4.544 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.607 -4.559 -0.974 1.00 0.00 H new ATOM 1105 N GLU A 72 -4.280 -13.165 -1.101 1.00 0.00 N ATOM 1106 CA GLU A 72 -4.995 -11.917 -0.893 1.00 0.00 C ATOM 1107 C GLU A 72 -5.206 -11.668 0.601 1.00 0.00 C ATOM 1108 O GLU A 72 -5.900 -12.433 1.269 1.00 0.00 O ATOM 1109 CB GLU A 72 -6.327 -11.916 -1.644 1.00 0.00 C ATOM 1110 CG GLU A 72 -6.285 -10.960 -2.839 1.00 0.00 C ATOM 1111 CD GLU A 72 -7.175 -11.464 -3.977 1.00 0.00 C ATOM 1112 OE1 GLU A 72 -7.092 -12.643 -4.352 1.00 0.00 O ATOM 1113 OE2 GLU A 72 -7.975 -10.583 -4.475 1.00 0.00 O ATOM 0 HA GLU A 72 -4.390 -11.104 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.554 -12.925 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.129 -11.622 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.614 -9.968 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.259 -10.859 -3.193 1.00 0.00 H new ATOM 1121 N LEU A 73 -4.596 -10.594 1.082 1.00 0.00 N ATOM 1122 CA LEU A 73 -4.709 -10.235 2.485 1.00 0.00 C ATOM 1123 C LEU A 73 -6.187 -10.208 2.882 1.00 0.00 C ATOM 1124 O LEU A 73 -6.522 -10.397 4.051 1.00 0.00 O ATOM 1125 CB LEU A 73 -3.974 -8.923 2.763 1.00 0.00 C ATOM 1126 CG LEU A 73 -4.762 -7.640 2.489 1.00 0.00 C ATOM 1127 CD1 LEU A 73 -5.036 -6.878 3.787 1.00 0.00 C ATOM 1128 CD2 LEU A 73 -4.050 -6.769 1.453 1.00 0.00 C ATOM 0 H LEU A 73 -4.022 -9.961 0.525 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.224 -10.984 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.663 -8.918 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.066 -8.904 2.160 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.728 -7.916 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.597 -5.970 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.616 -7.507 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.090 -6.613 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.631 -5.864 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.061 -6.499 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.949 -7.323 0.520 1.00 0.00 H new ATOM 1140 N ASP A 74 -7.030 -9.971 1.889 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.464 -9.918 2.120 1.00 0.00 C ATOM 1142 C ASP A 74 -8.942 -11.275 2.641 1.00 0.00 C ATOM 1143 O ASP A 74 -10.008 -11.370 3.249 1.00 0.00 O ATOM 1144 CB ASP A 74 -9.220 -9.615 0.825 1.00 0.00 C ATOM 1145 CG ASP A 74 -9.789 -8.200 0.725 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -9.235 -7.335 0.029 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -10.864 -7.994 1.409 1.00 0.00 O ATOM 0 H ASP A 74 -6.748 -9.813 0.922 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.660 -9.128 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.548 -9.781 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.039 -10.328 0.725 1.00 0.00 H new ATOM 1153 N ASP A 75 -8.132 -12.291 2.385 1.00 0.00 N ATOM 1154 CA ASP A 75 -8.458 -13.637 2.822 1.00 0.00 C ATOM 1155 C ASP A 75 -8.142 -13.777 4.312 1.00 0.00 C ATOM 1156 O ASP A 75 -9.045 -13.965 5.127 1.00 0.00 O ATOM 1157 CB ASP A 75 -7.631 -14.678 2.065 1.00 0.00 C ATOM 1158 CG ASP A 75 -7.975 -14.823 0.580 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -7.482 -14.061 -0.266 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -8.795 -15.777 0.302 1.00 0.00 O ATOM 0 H ASP A 75 -7.250 -12.209 1.880 1.00 0.00 H new ATOM 0 HA ASP A 75 -9.517 -13.806 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.576 -14.417 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.762 -15.646 2.549 1.00 0.00 H new ATOM 1166 N VAL A 76 -6.858 -13.677 4.624 1.00 0.00 N ATOM 1167 CA VAL A 76 -6.413 -13.786 6.004 1.00 0.00 C ATOM 1168 C VAL A 76 -7.342 -12.969 6.902 1.00 0.00 C ATOM 1169 O VAL A 76 -8.135 -12.164 6.413 1.00 0.00 O ATOM 1170 CB VAL A 76 -4.947 -13.361 6.115 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -4.022 -14.416 5.504 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -4.722 -11.994 5.467 1.00 0.00 C ATOM 0 H VAL A 76 -6.112 -13.522 3.946 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.465 -14.821 6.341 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.703 -13.274 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.986 -14.089 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.152 -15.362 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.268 -14.549 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.672 -11.716 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.993 -12.042 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.341 -11.248 5.966 1.00 0.00 H new ATOM 1182 N ASP A 77 -7.216 -13.202 8.200 1.00 0.00 N ATOM 1183 CA ASP A 77 -8.034 -12.498 9.170 1.00 0.00 C ATOM 1184 C ASP A 77 -7.209 -11.383 9.815 1.00 0.00 C ATOM 1185 O ASP A 77 -7.122 -11.297 11.039 1.00 0.00 O ATOM 1186 CB ASP A 77 -8.504 -13.439 10.281 1.00 0.00 C ATOM 1187 CG ASP A 77 -9.894 -13.133 10.844 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -10.165 -12.013 11.301 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -10.728 -14.115 10.800 1.00 0.00 O ATOM 0 H ASP A 77 -6.558 -13.870 8.602 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.901 -12.093 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.500 -14.459 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.782 -13.402 11.097 1.00 0.00 H new ATOM 1195 N PHE A 78 -6.622 -10.556 8.961 1.00 0.00 N ATOM 1196 CA PHE A 78 -5.806 -9.450 9.432 1.00 0.00 C ATOM 1197 C PHE A 78 -6.521 -8.672 10.538 1.00 0.00 C ATOM 1198 O PHE A 78 -7.690 -8.315 10.396 1.00 0.00 O ATOM 1199 CB PHE A 78 -5.579 -8.521 8.236 1.00 0.00 C ATOM 1200 CG PHE A 78 -4.251 -8.752 7.513 1.00 0.00 C ATOM 1201 CD1 PHE A 78 -3.758 -10.012 7.380 1.00 0.00 C ATOM 1202 CD2 PHE A 78 -3.562 -7.696 7.002 1.00 0.00 C ATOM 1203 CE1 PHE A 78 -2.526 -10.227 6.708 1.00 0.00 C ATOM 1204 CE2 PHE A 78 -2.331 -7.910 6.331 1.00 0.00 C ATOM 1205 CZ PHE A 78 -1.837 -9.170 6.198 1.00 0.00 C ATOM 0 H PHE A 78 -6.696 -10.630 7.946 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.868 -9.827 9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.395 -8.653 7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.619 -7.487 8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.304 -10.850 7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.953 -6.695 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.136 -11.228 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.785 -7.071 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.899 -9.332 5.688 1.00 0.00 H new ATOM 1215 N ASN A 79 -5.789 -8.431 11.616 1.00 0.00 N ATOM 1216 CA ASN A 79 -6.338 -7.701 12.745 1.00 0.00 C ATOM 1217 C ASN A 79 -5.278 -6.741 13.290 1.00 0.00 C ATOM 1218 O ASN A 79 -4.083 -7.014 13.199 1.00 0.00 O ATOM 1219 CB ASN A 79 -6.739 -8.653 13.874 1.00 0.00 C ATOM 1220 CG ASN A 79 -8.243 -8.932 13.849 1.00 0.00 C ATOM 1221 OD1 ASN A 79 -8.972 -8.634 14.782 1.00 0.00 O ATOM 1222 ND2 ASN A 79 -8.666 -9.517 12.733 1.00 0.00 N ATOM 0 H ASN A 79 -4.820 -8.729 11.731 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.219 -7.159 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.190 -9.590 13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.462 -8.220 14.835 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.654 -9.744 12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.003 -9.739 11.991 1.00 0.00 H new ATOM 1229 N GLY A 80 -5.756 -5.636 13.847 1.00 0.00 N ATOM 1230 CA GLY A 80 -4.866 -4.635 14.406 1.00 0.00 C ATOM 1231 C GLY A 80 -3.599 -4.494 13.561 1.00 0.00 C ATOM 1232 O GLY A 80 -2.492 -4.459 14.096 1.00 0.00 O ATOM 0 H GLY A 80 -6.749 -5.414 13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.380 -3.675 14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.598 -4.910 15.426 1.00 0.00 H new ATOM 1236 N LYS A 81 -3.802 -4.418 12.254 1.00 0.00 N ATOM 1237 CA LYS A 81 -2.690 -4.282 11.329 1.00 0.00 C ATOM 1238 C LYS A 81 -2.794 -2.937 10.608 1.00 0.00 C ATOM 1239 O LYS A 81 -3.788 -2.226 10.752 1.00 0.00 O ATOM 1240 CB LYS A 81 -2.630 -5.484 10.383 1.00 0.00 C ATOM 1241 CG LYS A 81 -3.953 -5.661 9.637 1.00 0.00 C ATOM 1242 CD LYS A 81 -4.188 -4.511 8.656 1.00 0.00 C ATOM 1243 CE LYS A 81 -5.325 -3.605 9.135 1.00 0.00 C ATOM 1244 NZ LYS A 81 -5.115 -2.219 8.662 1.00 0.00 N ATOM 0 H LYS A 81 -4.721 -4.448 11.813 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.743 -4.283 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.820 -5.347 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.405 -6.387 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.946 -6.608 9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.774 -5.707 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.274 -3.927 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.428 -4.912 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.279 -3.982 8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.377 -3.620 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.027 -1.805 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.697 -1.651 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.473 -2.225 7.844 1.00 0.00 H new ATOM 1258 N LEU A 82 -1.755 -2.627 9.847 1.00 0.00 N ATOM 1259 CA LEU A 82 -1.717 -1.380 9.103 1.00 0.00 C ATOM 1260 C LEU A 82 -1.728 -1.685 7.603 1.00 0.00 C ATOM 1261 O LEU A 82 -0.989 -2.552 7.138 1.00 0.00 O ATOM 1262 CB LEU A 82 -0.528 -0.526 9.547 1.00 0.00 C ATOM 1263 CG LEU A 82 0.843 -0.964 9.029 1.00 0.00 C ATOM 1264 CD1 LEU A 82 0.954 -0.746 7.519 1.00 0.00 C ATOM 1265 CD2 LEU A 82 1.968 -0.261 9.794 1.00 0.00 C ATOM 0 H LEU A 82 -0.932 -3.219 9.730 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.605 -0.784 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.704 0.501 9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.498 -0.519 10.637 1.00 0.00 H new ATOM 0 HG LEU A 82 0.950 -2.034 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.938 -1.066 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.186 -1.328 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.817 0.311 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.932 -0.590 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.875 0.818 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.899 -0.510 10.853 1.00 0.00 H new ATOM 1277 N VAL A 83 -2.573 -0.957 6.890 1.00 0.00 N ATOM 1278 CA VAL A 83 -2.690 -1.139 5.452 1.00 0.00 C ATOM 1279 C VAL A 83 -2.710 0.228 4.768 1.00 0.00 C ATOM 1280 O VAL A 83 -3.573 1.057 5.055 1.00 0.00 O ATOM 1281 CB VAL A 83 -3.923 -1.987 5.132 1.00 0.00 C ATOM 1282 CG1 VAL A 83 -3.695 -3.452 5.512 1.00 0.00 C ATOM 1283 CG2 VAL A 83 -5.167 -1.428 5.823 1.00 0.00 C ATOM 0 H VAL A 83 -3.184 -0.239 7.280 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.828 -1.682 5.064 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.090 -1.943 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.586 -4.033 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.846 -3.845 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.490 -3.523 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.029 -2.049 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.014 -1.427 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.346 -0.409 5.481 1.00 0.00 H new ATOM 1293 N ALA A 84 -1.749 0.424 3.877 1.00 0.00 N ATOM 1294 CA ALA A 84 -1.645 1.678 3.151 1.00 0.00 C ATOM 1295 C ALA A 84 -2.200 1.492 1.737 1.00 0.00 C ATOM 1296 O ALA A 84 -2.320 0.366 1.258 1.00 0.00 O ATOM 1297 CB ALA A 84 -0.189 2.148 3.149 1.00 0.00 C ATOM 0 H ALA A 84 -1.035 -0.265 3.641 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.237 2.453 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.111 3.089 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.148 2.294 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.435 1.396 2.666 1.00 0.00 H new ATOM 1303 N TYR A 85 -2.524 2.613 1.111 1.00 0.00 N ATOM 1304 CA TYR A 85 -3.063 2.586 -0.239 1.00 0.00 C ATOM 1305 C TYR A 85 -2.259 3.496 -1.169 1.00 0.00 C ATOM 1306 O TYR A 85 -2.085 4.681 -0.886 1.00 0.00 O ATOM 1307 CB TYR A 85 -4.493 3.123 -0.131 1.00 0.00 C ATOM 1308 CG TYR A 85 -5.568 2.114 -0.542 1.00 0.00 C ATOM 1309 CD1 TYR A 85 -5.704 0.929 0.153 1.00 0.00 C ATOM 1310 CD2 TYR A 85 -6.401 2.388 -1.607 1.00 0.00 C ATOM 1311 CE1 TYR A 85 -6.716 -0.020 -0.233 1.00 0.00 C ATOM 1312 CE2 TYR A 85 -7.412 1.438 -1.994 1.00 0.00 C ATOM 1313 CZ TYR A 85 -7.520 0.281 -1.287 1.00 0.00 C ATOM 1314 OH TYR A 85 -8.475 -0.615 -1.652 1.00 0.00 O ATOM 0 H TYR A 85 -2.424 3.545 1.512 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.024 1.577 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.676 3.436 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.585 4.012 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.051 0.714 0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.295 3.315 -2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.834 -0.950 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.069 1.640 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.975 -0.266 -2.420 1.00 0.00 H new ATOM 1324 N PHE A 86 -1.789 2.909 -2.259 1.00 0.00 N ATOM 1325 CA PHE A 86 -1.008 3.651 -3.232 1.00 0.00 C ATOM 1326 C PHE A 86 -1.577 5.058 -3.435 1.00 0.00 C ATOM 1327 O PHE A 86 -2.740 5.310 -3.124 1.00 0.00 O ATOM 1328 CB PHE A 86 -1.093 2.885 -4.554 1.00 0.00 C ATOM 1329 CG PHE A 86 0.204 2.896 -5.365 1.00 0.00 C ATOM 1330 CD1 PHE A 86 1.308 2.259 -4.890 1.00 0.00 C ATOM 1331 CD2 PHE A 86 0.254 3.542 -6.560 1.00 0.00 C ATOM 1332 CE1 PHE A 86 2.512 2.270 -5.643 1.00 0.00 C ATOM 1333 CE2 PHE A 86 1.457 3.552 -7.313 1.00 0.00 C ATOM 1334 CZ PHE A 86 2.562 2.916 -6.838 1.00 0.00 C ATOM 0 H PHE A 86 -1.935 1.926 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 86 0.020 3.750 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.370 1.852 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.892 3.314 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.269 1.745 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.623 4.048 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.389 1.765 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.495 4.064 -8.263 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.478 2.924 -7.410 1.00 0.00 H new ATOM 1658 N ILE A 109 -10.621 -5.101 5.967 1.00 0.00 N ATOM 1659 CA ILE A 109 -9.314 -5.058 6.601 1.00 0.00 C ATOM 1660 C ILE A 109 -8.922 -3.602 6.855 1.00 0.00 C ATOM 1661 O ILE A 109 -8.231 -3.301 7.828 1.00 0.00 O ATOM 1662 CB ILE A 109 -8.290 -5.835 5.770 1.00 0.00 C ATOM 1663 CG1 ILE A 109 -8.492 -7.344 5.924 1.00 0.00 C ATOM 1664 CG2 ILE A 109 -6.864 -5.408 6.119 1.00 0.00 C ATOM 1665 CD1 ILE A 109 -7.694 -8.114 4.868 1.00 0.00 C ATOM 0 HA ILE A 109 -9.345 -5.553 7.571 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.449 -5.595 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.180 -7.657 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.551 -7.584 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.156 -5.975 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.743 -4.344 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -6.675 -5.600 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.855 -9.184 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.025 -7.817 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.633 -7.890 4.979 1.00 0.00 H new ATOM 1677 N SER A 110 -9.380 -2.734 5.964 1.00 0.00 N ATOM 1678 CA SER A 110 -9.086 -1.316 6.079 1.00 0.00 C ATOM 1679 C SER A 110 -9.171 -0.881 7.544 1.00 0.00 C ATOM 1680 O SER A 110 -8.149 -0.724 8.209 1.00 0.00 O ATOM 1681 CB SER A 110 -10.041 -0.484 5.221 1.00 0.00 C ATOM 1682 OG SER A 110 -9.776 -0.632 3.829 1.00 0.00 O ATOM 0 H SER A 110 -9.953 -2.986 5.159 1.00 0.00 H new ATOM 0 HA SER A 110 -8.073 -1.146 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.068 -0.784 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.954 0.567 5.497 1.00 0.00 H new ATOM 0 HG SER A 110 -10.408 -0.086 3.316 1.00 0.00 H new ATOM 1688 N GLN A 111 -10.400 -0.700 8.004 1.00 0.00 N ATOM 1689 CA GLN A 111 -10.633 -0.287 9.376 1.00 0.00 C ATOM 1690 C GLN A 111 -10.876 -1.509 10.264 1.00 0.00 C ATOM 1691 O GLN A 111 -10.281 -1.631 11.334 1.00 0.00 O ATOM 1692 CB GLN A 111 -11.803 0.695 9.464 1.00 0.00 C ATOM 1693 CG GLN A 111 -11.917 1.526 8.184 1.00 0.00 C ATOM 1694 CD GLN A 111 -12.483 2.917 8.482 1.00 0.00 C ATOM 1695 OE1 GLN A 111 -13.627 3.078 8.874 1.00 0.00 O ATOM 1696 NE2 GLN A 111 -11.620 3.907 8.275 1.00 0.00 N ATOM 0 H GLN A 111 -11.246 -0.832 7.449 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.742 0.228 9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.731 0.147 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.665 1.356 10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -10.936 1.621 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -12.560 1.013 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.677 3.701 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.901 4.873 8.445 1.00 0.00 H new ATOM 1705 N ARG A 112 -11.751 -2.382 9.788 1.00 0.00 N ATOM 1706 CA ARG A 112 -12.080 -3.590 10.524 1.00 0.00 C ATOM 1707 C ARG A 112 -10.822 -4.428 10.759 1.00 0.00 C ATOM 1708 O ARG A 112 -10.783 -5.258 11.667 1.00 0.00 O ATOM 1709 CB ARG A 112 -13.111 -4.433 9.771 1.00 0.00 C ATOM 1710 CG ARG A 112 -14.333 -3.594 9.392 1.00 0.00 C ATOM 1711 CD ARG A 112 -15.485 -3.829 10.372 1.00 0.00 C ATOM 1712 NE ARG A 112 -16.415 -4.843 9.826 1.00 0.00 N ATOM 1713 CZ ARG A 112 -17.289 -4.606 8.824 1.00 0.00 C ATOM 1714 NH1 ARG A 112 -17.360 -3.386 8.251 1.00 0.00 N ATOM 1715 NH2 ARG A 112 -18.072 -5.586 8.415 1.00 0.00 N ATOM 0 H ARG A 112 -12.243 -2.276 8.901 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.505 -3.288 11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -12.658 -4.850 8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.421 -5.274 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -14.066 -2.537 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.653 -3.847 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.094 -4.163 11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -16.017 -2.895 10.551 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.394 -5.779 10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -16.751 -2.635 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -18.023 -3.216 7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -18.011 -6.505 8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.738 -5.425 7.659 1.00 0.00 H new ATOM 1729 N GLY A 113 -9.821 -4.181 9.927 1.00 0.00 N ATOM 1730 CA GLY A 113 -8.563 -4.902 10.033 1.00 0.00 C ATOM 1731 C GLY A 113 -7.552 -4.120 10.873 1.00 0.00 C ATOM 1732 O GLY A 113 -6.653 -4.707 11.473 1.00 0.00 O ATOM 0 H GLY A 113 -9.855 -3.491 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.737 -5.879 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.155 -5.078 9.037 1.00 0.00 H new ATOM 1736 N GLY A 114 -7.733 -2.808 10.891 1.00 0.00 N ATOM 1737 CA GLY A 114 -6.847 -1.940 11.647 1.00 0.00 C ATOM 1738 C GLY A 114 -6.937 -0.496 11.148 1.00 0.00 C ATOM 1739 O GLY A 114 -8.025 0.074 11.077 1.00 0.00 O ATOM 0 H GLY A 114 -8.481 -2.325 10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.108 -1.980 12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.821 -2.296 11.558 1.00 0.00 H new ATOM 1743 N LYS A 115 -5.779 0.054 10.815 1.00 0.00 N ATOM 1744 CA LYS A 115 -5.714 1.421 10.325 1.00 0.00 C ATOM 1745 C LYS A 115 -5.432 1.407 8.821 1.00 0.00 C ATOM 1746 O LYS A 115 -4.727 0.529 8.327 1.00 0.00 O ATOM 1747 CB LYS A 115 -4.698 2.232 11.134 1.00 0.00 C ATOM 1748 CG LYS A 115 -5.361 2.889 12.346 1.00 0.00 C ATOM 1749 CD LYS A 115 -5.111 2.076 13.617 1.00 0.00 C ATOM 1750 CE LYS A 115 -4.140 2.803 14.550 1.00 0.00 C ATOM 1751 NZ LYS A 115 -3.634 1.880 15.591 1.00 0.00 N ATOM 0 H LYS A 115 -4.879 -0.421 10.875 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.672 1.922 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.889 1.581 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.251 2.998 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.972 3.899 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.433 2.980 12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.055 1.901 14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.706 1.099 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.306 3.205 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.641 3.650 15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.976 2.389 16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.432 1.516 16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.138 1.086 15.139 1.00 0.00 H new ATOM 1765 N THR A 116 -5.997 2.390 8.137 1.00 0.00 N ATOM 1766 CA THR A 116 -5.817 2.500 6.700 1.00 0.00 C ATOM 1767 C THR A 116 -5.397 3.922 6.322 1.00 0.00 C ATOM 1768 O THR A 116 -5.990 4.894 6.789 1.00 0.00 O ATOM 1769 CB THR A 116 -7.114 2.050 6.024 1.00 0.00 C ATOM 1770 OG1 THR A 116 -6.802 2.059 4.634 1.00 0.00 O ATOM 1771 CG2 THR A 116 -8.234 3.083 6.163 1.00 0.00 C ATOM 0 H THR A 116 -6.580 3.118 8.551 1.00 0.00 H new ATOM 0 HA THR A 116 -5.011 1.853 6.353 1.00 0.00 H new ATOM 0 HB THR A 116 -7.439 1.103 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.588 1.778 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.132 2.715 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.446 3.250 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.923 4.021 5.703 1.00 0.00 H new ATOM 1779 N VAL A 117 -4.376 4.000 5.481 1.00 0.00 N ATOM 1780 CA VAL A 117 -3.870 5.288 5.035 1.00 0.00 C ATOM 1781 C VAL A 117 -3.973 5.371 3.510 1.00 0.00 C ATOM 1782 O VAL A 117 -3.734 4.386 2.814 1.00 0.00 O ATOM 1783 CB VAL A 117 -2.444 5.497 5.551 1.00 0.00 C ATOM 1784 CG1 VAL A 117 -2.367 5.252 7.059 1.00 0.00 C ATOM 1785 CG2 VAL A 117 -1.454 4.607 4.798 1.00 0.00 C ATOM 0 H VAL A 117 -3.885 3.193 5.097 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.472 6.099 5.446 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.168 6.535 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.344 5.407 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.031 5.946 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.672 4.228 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.448 4.774 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.726 3.561 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.481 4.851 3.736 1.00 0.00 H new ATOM 1795 N GLY A 118 -4.330 6.556 3.038 1.00 0.00 N ATOM 1796 CA GLY A 118 -4.468 6.780 1.609 1.00 0.00 C ATOM 1797 C GLY A 118 -5.036 8.173 1.325 1.00 0.00 C ATOM 1798 O GLY A 118 -6.229 8.318 1.057 1.00 0.00 O ATOM 0 H GLY A 118 -4.528 7.371 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.497 6.674 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.123 6.022 1.180 1.00 0.00 H new ATOM 2336 N ASP A 154 9.338 13.799 -6.223 1.00 0.00 N ATOM 2337 CA ASP A 154 9.438 13.459 -4.814 1.00 0.00 C ATOM 2338 C ASP A 154 8.068 13.011 -4.304 1.00 0.00 C ATOM 2339 O ASP A 154 7.714 13.272 -3.155 1.00 0.00 O ATOM 2340 CB ASP A 154 9.878 14.668 -3.987 1.00 0.00 C ATOM 2341 CG ASP A 154 11.057 15.454 -4.567 1.00 0.00 C ATOM 2342 OD1 ASP A 154 11.846 14.926 -5.364 1.00 0.00 O ATOM 2343 OD2 ASP A 154 11.148 16.676 -4.162 1.00 0.00 O ATOM 0 HA ASP A 154 10.175 12.663 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 154 9.029 15.343 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 154 10.145 14.327 -2.987 1.00 0.00 H new ATOM 2349 N ARG A 155 7.333 12.344 -5.182 1.00 0.00 N ATOM 2350 CA ARG A 155 6.008 11.859 -4.834 1.00 0.00 C ATOM 2351 C ARG A 155 6.115 10.618 -3.947 1.00 0.00 C ATOM 2352 O ARG A 155 5.262 10.389 -3.089 1.00 0.00 O ATOM 2353 CB ARG A 155 5.202 11.513 -6.088 1.00 0.00 C ATOM 2354 CG ARG A 155 3.700 11.542 -5.800 1.00 0.00 C ATOM 2355 CD ARG A 155 3.060 12.818 -6.350 1.00 0.00 C ATOM 2356 NE ARG A 155 2.781 13.761 -5.244 1.00 0.00 N ATOM 2357 CZ ARG A 155 1.912 14.791 -5.330 1.00 0.00 C ATOM 2358 NH1 ARG A 155 1.230 15.019 -6.471 1.00 0.00 N ATOM 2359 NH2 ARG A 155 1.740 15.572 -4.277 1.00 0.00 N ATOM 0 H ARG A 155 7.630 12.128 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 155 5.494 12.654 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 155 5.437 12.221 -6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 155 5.488 10.524 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 155 3.223 10.670 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 155 3.531 11.481 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 155 3.725 13.284 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 155 2.135 12.575 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 155 3.276 13.624 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 155 1.369 14.411 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 155 0.576 15.799 -6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 155 2.260 15.392 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 155 1.088 16.355 -4.324 1.00 0.00 H new ATOM 2373 N ILE A 156 7.168 9.849 -4.182 1.00 0.00 N ATOM 2374 CA ILE A 156 7.395 8.637 -3.414 1.00 0.00 C ATOM 2375 C ILE A 156 7.832 9.010 -1.996 1.00 0.00 C ATOM 2376 O ILE A 156 7.416 8.377 -1.028 1.00 0.00 O ATOM 2377 CB ILE A 156 8.382 7.720 -4.139 1.00 0.00 C ATOM 2378 CG1 ILE A 156 9.623 8.495 -4.587 1.00 0.00 C ATOM 2379 CG2 ILE A 156 7.705 7.000 -5.308 1.00 0.00 C ATOM 2380 CD1 ILE A 156 10.806 7.553 -4.817 1.00 0.00 C ATOM 0 H ILE A 156 7.873 10.042 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 156 6.471 8.066 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 156 8.715 6.955 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.404 9.040 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 156 9.885 9.236 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.429 6.355 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 156 6.878 6.397 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 156 7.326 7.735 -6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 156 11.674 8.130 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 156 11.038 7.028 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 156 10.549 6.829 -5.590 1.00 0.00 H new ATOM 2392 N LYS A 157 8.665 10.039 -1.919 1.00 0.00 N ATOM 2393 CA LYS A 157 9.162 10.504 -0.636 1.00 0.00 C ATOM 2394 C LYS A 157 7.984 10.943 0.235 1.00 0.00 C ATOM 2395 O LYS A 157 8.002 10.755 1.450 1.00 0.00 O ATOM 2396 CB LYS A 157 10.219 11.592 -0.834 1.00 0.00 C ATOM 2397 CG LYS A 157 9.635 12.980 -0.562 1.00 0.00 C ATOM 2398 CD LYS A 157 10.714 14.060 -0.672 1.00 0.00 C ATOM 2399 CE LYS A 157 11.320 14.370 0.698 1.00 0.00 C ATOM 2400 NZ LYS A 157 12.798 14.383 0.619 1.00 0.00 N ATOM 0 H LYS A 157 9.007 10.563 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 157 9.665 9.695 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 157 11.062 11.411 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 157 10.604 11.549 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 157 8.834 13.187 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 157 9.192 13.003 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 157 11.497 13.729 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 157 10.284 14.967 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 157 10.960 15.336 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 157 10.995 13.624 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 13.194 14.595 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 13.137 13.452 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 13.103 15.111 -0.058 1.00 0.00 H new ATOM 2414 N SER A 158 6.987 11.519 -0.420 1.00 0.00 N ATOM 2415 CA SER A 158 5.803 11.987 0.278 1.00 0.00 C ATOM 2416 C SER A 158 4.943 10.796 0.706 1.00 0.00 C ATOM 2417 O SER A 158 4.772 10.544 1.898 1.00 0.00 O ATOM 2418 CB SER A 158 4.987 12.942 -0.596 1.00 0.00 C ATOM 2419 OG SER A 158 3.865 13.477 0.100 1.00 0.00 O ATOM 0 H SER A 158 6.975 11.672 -1.428 1.00 0.00 H new ATOM 0 HA SER A 158 6.124 12.534 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 158 5.626 13.758 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 158 4.644 12.415 -1.486 1.00 0.00 H new ATOM 0 HG SER A 158 3.371 14.083 -0.492 1.00 0.00 H new ATOM 2425 N TRP A 159 4.425 10.093 -0.290 1.00 0.00 N ATOM 2426 CA TRP A 159 3.587 8.933 -0.032 1.00 0.00 C ATOM 2427 C TRP A 159 4.242 8.117 1.083 1.00 0.00 C ATOM 2428 O TRP A 159 3.600 7.800 2.084 1.00 0.00 O ATOM 2429 CB TRP A 159 3.361 8.125 -1.312 1.00 0.00 C ATOM 2430 CG TRP A 159 2.388 6.955 -1.144 1.00 0.00 C ATOM 2431 CD1 TRP A 159 1.060 7.003 -0.982 1.00 0.00 C ATOM 2432 CD2 TRP A 159 2.727 5.552 -1.128 1.00 0.00 C ATOM 2433 NE1 TRP A 159 0.518 5.739 -0.865 1.00 0.00 N ATOM 2434 CE2 TRP A 159 1.563 4.828 -0.957 1.00 0.00 C ATOM 2435 CE3 TRP A 159 3.973 4.914 -1.257 1.00 0.00 C ATOM 2436 CZ2 TRP A 159 1.532 3.431 -0.897 1.00 0.00 C ATOM 2437 CZ3 TRP A 159 3.925 3.518 -1.195 1.00 0.00 C ATOM 2438 CH2 TRP A 159 2.763 2.776 -1.022 1.00 0.00 C ATOM 0 H TRP A 159 4.569 10.304 -1.278 1.00 0.00 H new ATOM 0 HA TRP A 159 2.594 9.239 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 159 2.983 8.791 -2.088 1.00 0.00 H new ATOM 0 HB3 TRP A 159 4.319 7.740 -1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 159 0.485 7.916 -0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 159 -0.469 5.515 -0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 159 4.895 5.459 -1.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 159 0.609 2.887 -0.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 159 4.856 2.979 -1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 159 2.809 1.698 -0.984 1.00 0.00 H new ATOM 2449 N VAL A 160 5.511 7.798 0.874 1.00 0.00 N ATOM 2450 CA VAL A 160 6.259 7.025 1.850 1.00 0.00 C ATOM 2451 C VAL A 160 6.119 7.677 3.227 1.00 0.00 C ATOM 2452 O VAL A 160 5.765 7.013 4.200 1.00 0.00 O ATOM 2453 CB VAL A 160 7.715 6.883 1.401 1.00 0.00 C ATOM 2454 CG1 VAL A 160 8.571 6.259 2.504 1.00 0.00 C ATOM 2455 CG2 VAL A 160 7.813 6.073 0.106 1.00 0.00 C ATOM 0 H VAL A 160 6.040 8.061 0.043 1.00 0.00 H new ATOM 0 HA VAL A 160 5.856 6.015 1.926 1.00 0.00 H new ATOM 0 HB VAL A 160 8.103 7.882 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.601 6.170 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.539 6.892 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 160 8.184 5.270 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.858 5.987 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 160 7.398 5.078 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 160 7.252 6.577 -0.681 1.00 0.00 H new ATOM 2465 N ALA A 161 6.405 8.971 3.266 1.00 0.00 N ATOM 2466 CA ALA A 161 6.315 9.721 4.507 1.00 0.00 C ATOM 2467 C ALA A 161 4.913 9.557 5.097 1.00 0.00 C ATOM 2468 O ALA A 161 4.744 9.565 6.315 1.00 0.00 O ATOM 2469 CB ALA A 161 6.670 11.185 4.246 1.00 0.00 C ATOM 0 H ALA A 161 6.699 9.519 2.457 1.00 0.00 H new ATOM 0 HA ALA A 161 7.027 9.339 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 161 6.602 11.747 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 161 7.686 11.249 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 161 5.975 11.604 3.518 1.00 0.00 H new ATOM 2475 N GLN A 162 3.944 9.413 4.205 1.00 0.00 N ATOM 2476 CA GLN A 162 2.561 9.248 4.621 1.00 0.00 C ATOM 2477 C GLN A 162 2.369 7.890 5.300 1.00 0.00 C ATOM 2478 O GLN A 162 1.751 7.802 6.358 1.00 0.00 O ATOM 2479 CB GLN A 162 1.608 9.409 3.435 1.00 0.00 C ATOM 2480 CG GLN A 162 0.668 10.597 3.645 1.00 0.00 C ATOM 2481 CD GLN A 162 0.026 11.027 2.326 1.00 0.00 C ATOM 2482 OE1 GLN A 162 -0.496 10.225 1.567 1.00 0.00 O ATOM 2483 NE2 GLN A 162 0.091 12.335 2.093 1.00 0.00 N ATOM 0 H GLN A 162 4.089 9.407 3.195 1.00 0.00 H new ATOM 0 HA GLN A 162 2.324 10.029 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 162 2.182 9.552 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 162 1.025 8.497 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -0.109 10.329 4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 162 1.222 11.432 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 162 0.542 12.952 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -0.310 12.721 1.238 1.00 0.00 H new ATOM 2492 N LEU A 163 2.912 6.864 4.660 1.00 0.00 N ATOM 2493 CA LEU A 163 2.808 5.514 5.188 1.00 0.00 C ATOM 2494 C LEU A 163 3.531 5.441 6.535 1.00 0.00 C ATOM 2495 O LEU A 163 2.950 5.019 7.534 1.00 0.00 O ATOM 2496 CB LEU A 163 3.314 4.497 4.163 1.00 0.00 C ATOM 2497 CG LEU A 163 3.191 4.908 2.694 1.00 0.00 C ATOM 2498 CD1 LEU A 163 3.478 3.723 1.768 1.00 0.00 C ATOM 2499 CD2 LEU A 163 1.826 5.539 2.414 1.00 0.00 C ATOM 0 H LEU A 163 3.425 6.941 3.782 1.00 0.00 H new ATOM 0 HA LEU A 163 1.765 5.256 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 163 4.363 4.288 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 163 2.768 3.564 4.306 1.00 0.00 H new ATOM 0 HG LEU A 163 3.944 5.668 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.384 4.041 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.490 3.359 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.765 2.924 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 163 1.765 5.822 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 163 1.039 4.820 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 163 1.700 6.425 3.036 1.00 0.00 H new ATOM 2511 N LYS A 164 4.788 5.858 6.519 1.00 0.00 N ATOM 2512 CA LYS A 164 5.597 5.845 7.727 1.00 0.00 C ATOM 2513 C LYS A 164 4.965 6.772 8.767 1.00 0.00 C ATOM 2514 O LYS A 164 5.103 6.547 9.969 1.00 0.00 O ATOM 2515 CB LYS A 164 7.051 6.188 7.401 1.00 0.00 C ATOM 2516 CG LYS A 164 7.657 5.159 6.444 1.00 0.00 C ATOM 2517 CD LYS A 164 7.557 3.747 7.023 1.00 0.00 C ATOM 2518 CE LYS A 164 8.123 3.695 8.443 1.00 0.00 C ATOM 2519 NZ LYS A 164 7.029 3.617 9.436 1.00 0.00 N ATOM 0 H LYS A 164 5.267 6.207 5.689 1.00 0.00 H new ATOM 0 HA LYS A 164 5.619 4.845 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 164 7.102 7.180 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 164 7.635 6.222 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 164 7.140 5.200 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 164 8.702 5.405 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 164 6.515 3.426 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.100 3.049 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.779 2.831 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.730 4.581 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.352 3.081 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 6.756 4.577 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 6.209 3.138 9.012 1.00 0.00 H new ATOM 2533 N SER A 165 4.285 7.794 8.269 1.00 0.00 N ATOM 2534 CA SER A 165 3.632 8.755 9.141 1.00 0.00 C ATOM 2535 C SER A 165 2.599 8.047 10.022 1.00 0.00 C ATOM 2536 O SER A 165 2.732 8.024 11.244 1.00 0.00 O ATOM 2537 CB SER A 165 2.965 9.869 8.331 1.00 0.00 C ATOM 2538 OG SER A 165 3.760 11.051 8.293 1.00 0.00 O ATOM 0 H SER A 165 4.172 7.978 7.272 1.00 0.00 H new ATOM 0 HA SER A 165 4.391 9.210 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 165 2.785 9.520 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 165 1.992 10.100 8.765 1.00 0.00 H new ATOM 0 HG SER A 165 4.389 10.998 7.543 1.00 0.00 H new ATOM 2544 N GLU A 166 1.595 7.485 9.366 1.00 0.00 N ATOM 2545 CA GLU A 166 0.541 6.778 10.073 1.00 0.00 C ATOM 2546 C GLU A 166 1.093 5.500 10.708 1.00 0.00 C ATOM 2547 O GLU A 166 0.972 5.298 11.915 1.00 0.00 O ATOM 2548 CB GLU A 166 -0.630 6.464 9.141 1.00 0.00 C ATOM 2549 CG GLU A 166 -1.824 7.377 9.436 1.00 0.00 C ATOM 2550 CD GLU A 166 -2.968 6.592 10.080 1.00 0.00 C ATOM 2551 OE1 GLU A 166 -2.845 6.152 11.233 1.00 0.00 O ATOM 2552 OE2 GLU A 166 -4.013 6.446 9.340 1.00 0.00 O ATOM 0 H GLU A 166 1.489 7.505 8.352 1.00 0.00 H new ATOM 0 HA GLU A 166 0.167 7.424 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -0.318 6.590 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -0.926 5.422 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -1.514 8.185 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -2.170 7.839 8.511 1.00 0.00 H new ATOM 2560 N PHE A 167 1.690 4.669 9.865 1.00 0.00 N ATOM 2561 CA PHE A 167 2.262 3.416 10.328 1.00 0.00 C ATOM 2562 C PHE A 167 2.901 3.583 11.709 1.00 0.00 C ATOM 2563 O PHE A 167 2.569 2.853 12.642 1.00 0.00 O ATOM 2564 CB PHE A 167 3.346 3.021 9.322 1.00 0.00 C ATOM 2565 CG PHE A 167 2.800 2.477 8.001 1.00 0.00 C ATOM 2566 CD1 PHE A 167 1.461 2.497 7.759 1.00 0.00 C ATOM 2567 CD2 PHE A 167 3.653 1.974 7.069 1.00 0.00 C ATOM 2568 CE1 PHE A 167 0.956 1.992 6.533 1.00 0.00 C ATOM 2569 CE2 PHE A 167 3.146 1.469 5.842 1.00 0.00 C ATOM 2570 CZ PHE A 167 1.809 1.489 5.600 1.00 0.00 C ATOM 0 H PHE A 167 1.790 4.839 8.864 1.00 0.00 H new ATOM 0 HA PHE A 167 1.483 2.657 10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 167 3.969 3.891 9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 167 3.990 2.267 9.775 1.00 0.00 H new ATOM 0 HD1 PHE A 167 0.784 2.897 8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.716 1.958 7.262 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -0.107 2.007 6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 167 3.823 1.069 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 167 1.423 1.106 4.667 1.00 0.00 H new ATOM 2580 N GLY A 168 3.804 4.548 11.795 1.00 0.00 N ATOM 2581 CA GLY A 168 4.493 4.818 13.046 1.00 0.00 C ATOM 2582 C GLY A 168 5.486 5.970 12.887 1.00 0.00 C ATOM 2583 O GLY A 168 6.697 5.756 12.891 1.00 0.00 O ATOM 0 H GLY A 168 4.075 5.153 11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 168 3.766 5.064 13.820 1.00 0.00 H new ATOM 0 HA3 GLY A 168 5.019 3.922 13.376 1.00 0.00 H new