USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 74:sc= -2! USER MOD Set 1.2: A 45 TYR OH : rot 72:sc= 0.424 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.56 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.0261 (180deg=-0.154) USER MOD Single : A 35 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.0081) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.195 (180deg=-0.704!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -11:sc= 0.433 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.186) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0553 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0022 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 3.942 -13.684 -0.742 1.00 0.00 N ATOM 18 CA THR A 2 4.578 -12.473 -1.249 1.00 0.00 C ATOM 19 C THR A 2 3.534 -11.473 -1.731 1.00 0.00 C ATOM 20 O THR A 2 2.713 -11.783 -2.594 1.00 0.00 O ATOM 21 CB THR A 2 5.535 -12.820 -2.391 1.00 0.00 C ATOM 22 OG1 THR A 2 6.103 -14.103 -2.198 1.00 0.00 O ATOM 23 CG2 THR A 2 6.670 -11.828 -2.540 1.00 0.00 C ATOM 0 HA THR A 2 5.142 -12.017 -0.435 1.00 0.00 H new ATOM 0 HB THR A 2 4.929 -12.792 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.512 -14.640 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.312 -12.131 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.263 -10.837 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.253 -11.801 -1.619 1.00 0.00 H new ATOM 31 N TYR A 3 3.570 -10.275 -1.168 1.00 0.00 N ATOM 32 CA TYR A 3 2.625 -9.228 -1.540 1.00 0.00 C ATOM 33 C TYR A 3 3.280 -8.197 -2.454 1.00 0.00 C ATOM 34 O TYR A 3 4.489 -7.970 -2.383 1.00 0.00 O ATOM 35 CB TYR A 3 2.084 -8.529 -0.295 1.00 0.00 C ATOM 36 CG TYR A 3 0.964 -9.267 0.395 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.924 -10.654 0.428 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.061 -8.564 1.012 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.109 -11.323 1.056 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.099 -9.224 1.642 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.118 -10.603 1.662 1.00 0.00 C ATOM 42 OH TYR A 3 -2.150 -11.265 2.285 1.00 0.00 O ATOM 0 H TYR A 3 4.243 -10.002 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 3 1.802 -9.701 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.901 -8.389 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.731 -7.536 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.713 -11.220 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.047 -7.484 1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.127 -12.403 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.891 -8.663 2.116 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.831 -11.648 3.129 1.00 0.00 H new ATOM 52 N LYS A 4 2.472 -7.569 -3.308 1.00 0.00 N ATOM 53 CA LYS A 4 2.975 -6.555 -4.232 1.00 0.00 C ATOM 54 C LYS A 4 2.105 -5.298 -4.202 1.00 0.00 C ATOM 55 O LYS A 4 0.877 -5.380 -4.196 1.00 0.00 O ATOM 56 CB LYS A 4 3.036 -7.119 -5.655 1.00 0.00 C ATOM 57 CG LYS A 4 4.435 -7.105 -6.252 1.00 0.00 C ATOM 58 CD LYS A 4 4.802 -8.452 -6.852 1.00 0.00 C ATOM 59 CE LYS A 4 6.235 -8.463 -7.362 1.00 0.00 C ATOM 60 NZ LYS A 4 6.823 -9.825 -7.334 1.00 0.00 N ATOM 0 H LYS A 4 1.470 -7.744 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 4 3.980 -6.279 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.662 -8.143 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.370 -6.541 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.495 -6.335 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.158 -6.841 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.676 -9.232 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.121 -8.684 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.260 -8.078 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.842 -7.793 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.800 -9.789 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.823 -10.183 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.259 -10.459 -7.935 1.00 0.00 H new ATOM 74 N LEU A 5 2.754 -4.135 -4.176 1.00 0.00 N ATOM 75 CA LEU A 5 2.046 -2.856 -4.142 1.00 0.00 C ATOM 76 C LEU A 5 2.381 -1.991 -5.336 1.00 0.00 C ATOM 77 O LEU A 5 3.528 -1.935 -5.783 1.00 0.00 O ATOM 78 CB LEU A 5 2.405 -2.038 -2.900 1.00 0.00 C ATOM 79 CG LEU A 5 1.509 -0.814 -2.663 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.041 -1.201 -2.687 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.861 -0.130 -1.352 1.00 0.00 C ATOM 0 H LEU A 5 3.771 -4.052 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 5 0.988 -3.117 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.352 -2.686 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.439 -1.704 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 5 1.687 -0.108 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.572 -0.316 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.206 -1.632 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.155 -1.934 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.213 0.734 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.723 -0.830 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.900 0.197 -1.380 1.00 0.00 H new ATOM 93 N ILE A 6 1.381 -1.268 -5.804 1.00 0.00 N ATOM 94 CA ILE A 6 1.567 -0.342 -6.897 1.00 0.00 C ATOM 95 C ILE A 6 0.780 0.931 -6.610 1.00 0.00 C ATOM 96 O ILE A 6 -0.445 0.897 -6.495 1.00 0.00 O ATOM 97 CB ILE A 6 1.123 -0.938 -8.247 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.784 -2.299 -8.470 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.461 0.015 -9.384 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.294 -2.236 -8.526 1.00 0.00 C ATOM 0 H ILE A 6 0.429 -1.307 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 6 2.632 -0.122 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 6 0.042 -1.079 -8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.486 -2.974 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.412 -2.726 -9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.141 -0.420 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.947 0.964 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.537 0.185 -9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.694 -3.237 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.601 -1.587 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.677 -1.839 -7.586 1.00 0.00 H new ATOM 112 N LEU A 7 1.486 2.047 -6.465 1.00 0.00 N ATOM 113 CA LEU A 7 0.836 3.315 -6.158 1.00 0.00 C ATOM 114 C LEU A 7 0.753 4.216 -7.380 1.00 0.00 C ATOM 115 O LEU A 7 1.682 4.280 -8.185 1.00 0.00 O ATOM 116 CB LEU A 7 1.574 4.037 -5.028 1.00 0.00 C ATOM 117 CG LEU A 7 1.734 3.232 -3.739 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.991 2.382 -3.800 1.00 0.00 C ATOM 119 CD2 LEU A 7 1.771 4.158 -2.533 1.00 0.00 C ATOM 0 H LEU A 7 2.501 2.100 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.181 3.089 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.564 4.322 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.041 4.959 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 7 0.875 2.570 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.092 1.814 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.924 1.694 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.861 3.027 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.885 3.567 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.612 4.845 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.842 4.726 -2.482 1.00 0.00 H new ATOM 131 N ASN A 8 -0.368 4.919 -7.504 1.00 0.00 N ATOM 132 CA ASN A 8 -0.582 5.831 -8.623 1.00 0.00 C ATOM 133 C ASN A 8 -1.180 7.149 -8.140 1.00 0.00 C ATOM 134 O ASN A 8 -2.354 7.212 -7.778 1.00 0.00 O ATOM 135 CB ASN A 8 -1.498 5.187 -9.667 1.00 0.00 C ATOM 136 CG ASN A 8 -0.764 4.846 -10.948 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.153 4.024 -10.952 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.164 5.477 -12.046 1.00 0.00 N ATOM 0 H ASN A 8 -1.143 4.875 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 8 0.384 6.039 -9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.937 4.280 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.321 5.866 -9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.707 5.288 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.928 6.151 -11.997 1.00 0.00 H new ATOM 145 N LEU A 9 -0.363 8.200 -8.132 1.00 0.00 N ATOM 146 CA LEU A 9 -0.816 9.512 -7.685 1.00 0.00 C ATOM 147 C LEU A 9 -0.859 10.507 -8.847 1.00 0.00 C ATOM 148 O LEU A 9 -1.753 11.349 -8.916 1.00 0.00 O ATOM 149 CB LEU A 9 0.101 10.039 -6.566 1.00 0.00 C ATOM 150 CG LEU A 9 1.432 10.637 -7.036 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.082 11.438 -5.918 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.370 9.539 -7.517 1.00 0.00 C ATOM 0 H LEU A 9 0.612 8.168 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.828 9.405 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.441 10.799 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.312 9.221 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 9 1.230 11.309 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.026 11.855 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.418 12.248 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.269 10.786 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.310 9.982 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.564 8.843 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.909 9.005 -8.348 1.00 0.00 H new ATOM 213 N LYS A 13 4.602 5.903 -10.616 1.00 0.00 N ATOM 214 CA LYS A 13 4.290 4.579 -10.101 1.00 0.00 C ATOM 215 C LYS A 13 5.325 4.140 -9.073 1.00 0.00 C ATOM 216 O LYS A 13 6.525 4.143 -9.337 1.00 0.00 O ATOM 217 CB LYS A 13 4.225 3.555 -11.249 1.00 0.00 C ATOM 218 CG LYS A 13 5.516 3.457 -12.039 1.00 0.00 C ATOM 219 CD LYS A 13 5.452 2.350 -13.080 1.00 0.00 C ATOM 220 CE LYS A 13 6.149 1.089 -12.595 1.00 0.00 C ATOM 221 NZ LYS A 13 5.568 -0.139 -13.206 1.00 0.00 N ATOM 0 HA LYS A 13 3.316 4.628 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.983 2.575 -10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.414 3.827 -11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.715 4.409 -12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.347 3.270 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.411 2.126 -13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.917 2.691 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.211 1.146 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.071 1.026 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.072 -0.976 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.561 -0.208 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.665 -0.092 -14.240 1.00 0.00 H new ATOM 235 N GLU A 14 4.847 3.758 -7.897 1.00 0.00 N ATOM 236 CA GLU A 14 5.722 3.307 -6.822 1.00 0.00 C ATOM 237 C GLU A 14 5.475 1.833 -6.523 1.00 0.00 C ATOM 238 O GLU A 14 4.344 1.355 -6.605 1.00 0.00 O ATOM 239 CB GLU A 14 5.495 4.146 -5.562 1.00 0.00 C ATOM 240 CG GLU A 14 6.766 4.410 -4.772 1.00 0.00 C ATOM 241 CD GLU A 14 7.689 5.393 -5.465 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.190 6.418 -5.974 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.912 5.138 -5.497 1.00 0.00 O ATOM 0 H GLU A 14 3.854 3.751 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 14 6.756 3.431 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.048 5.099 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.777 3.636 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.504 4.796 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.294 3.469 -4.616 1.00 0.00 H new ATOM 250 N GLU A 15 6.539 1.114 -6.187 1.00 0.00 N ATOM 251 CA GLU A 15 6.429 -0.308 -5.890 1.00 0.00 C ATOM 252 C GLU A 15 6.627 -0.586 -4.403 1.00 0.00 C ATOM 253 O GLU A 15 7.203 0.224 -3.677 1.00 0.00 O ATOM 254 CB GLU A 15 7.454 -1.099 -6.707 1.00 0.00 C ATOM 255 CG GLU A 15 7.525 -0.678 -8.166 1.00 0.00 C ATOM 256 CD GLU A 15 8.100 -1.759 -9.059 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.907 -2.573 -8.561 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.743 -1.794 -10.254 1.00 0.00 O ATOM 0 H GLU A 15 7.484 1.491 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 15 5.423 -0.627 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.438 -0.978 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.207 -2.159 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.525 -0.419 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.136 0.221 -8.251 1.00 0.00 H new ATOM 265 N ALA A 16 6.151 -1.747 -3.968 1.00 0.00 N ATOM 266 CA ALA A 16 6.271 -2.165 -2.583 1.00 0.00 C ATOM 267 C ALA A 16 5.935 -3.645 -2.469 1.00 0.00 C ATOM 268 O ALA A 16 5.044 -4.143 -3.155 1.00 0.00 O ATOM 269 CB ALA A 16 5.345 -1.338 -1.684 1.00 0.00 C ATOM 0 H ALA A 16 5.673 -2.421 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 16 7.297 -2.001 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.451 -1.668 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.613 -0.284 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.312 -1.473 -2.004 1.00 0.00 H new ATOM 275 N ILE A 17 6.648 -4.340 -1.606 1.00 0.00 N ATOM 276 CA ILE A 17 6.419 -5.765 -1.408 1.00 0.00 C ATOM 277 C ILE A 17 6.559 -6.145 0.053 1.00 0.00 C ATOM 278 O ILE A 17 7.424 -5.628 0.760 1.00 0.00 O ATOM 279 CB ILE A 17 7.388 -6.630 -2.229 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.783 -6.001 -2.258 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.857 -6.827 -3.641 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.801 -6.825 -3.014 1.00 0.00 C ATOM 0 H ILE A 17 7.391 -3.946 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 17 5.401 -5.955 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 17 7.467 -7.607 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.718 -5.012 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.130 -5.859 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.555 -7.442 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.887 -7.323 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.748 -5.858 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.766 -6.319 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.895 -7.805 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.476 -6.946 -4.048 1.00 0.00 H new ATOM 294 N LYS A 18 5.698 -7.047 0.501 1.00 0.00 N ATOM 295 CA LYS A 18 5.723 -7.488 1.886 1.00 0.00 C ATOM 296 C LYS A 18 5.407 -8.975 1.999 1.00 0.00 C ATOM 297 O LYS A 18 4.259 -9.391 1.848 1.00 0.00 O ATOM 298 CB LYS A 18 4.728 -6.662 2.700 1.00 0.00 C ATOM 299 CG LYS A 18 4.705 -5.199 2.295 1.00 0.00 C ATOM 300 CD LYS A 18 5.952 -4.455 2.759 1.00 0.00 C ATOM 301 CE LYS A 18 6.303 -3.319 1.812 1.00 0.00 C ATOM 302 NZ LYS A 18 7.775 -3.179 1.637 1.00 0.00 N ATOM 0 H LYS A 18 4.977 -7.485 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 18 6.727 -7.337 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.730 -7.083 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.980 -6.737 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.622 -5.125 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.821 -4.721 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.789 -4.058 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.790 -5.150 2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.837 -3.497 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.892 -2.385 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.974 -2.394 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.217 -2.984 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.164 -4.061 1.246 1.00 0.00 H new ATOM 316 N GLU A 19 6.437 -9.771 2.264 1.00 0.00 N ATOM 317 CA GLU A 19 6.277 -11.206 2.400 1.00 0.00 C ATOM 318 C GLU A 19 5.694 -11.561 3.764 1.00 0.00 C ATOM 319 O GLU A 19 6.262 -11.219 4.801 1.00 0.00 O ATOM 320 CB GLU A 19 7.625 -11.909 2.204 1.00 0.00 C ATOM 321 CG GLU A 19 7.665 -12.828 0.993 1.00 0.00 C ATOM 322 CD GLU A 19 9.051 -12.935 0.385 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.040 -12.742 1.124 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.148 -13.210 -0.830 1.00 0.00 O ATOM 0 H GLU A 19 7.394 -9.441 2.389 1.00 0.00 H new ATOM 0 HA GLU A 19 5.583 -11.547 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.406 -11.156 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.855 -12.490 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.323 -13.821 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.969 -12.459 0.239 1.00 0.00 H new ATOM 331 N ALA A 20 4.558 -12.253 3.755 1.00 0.00 N ATOM 332 CA ALA A 20 3.901 -12.654 4.992 1.00 0.00 C ATOM 333 C ALA A 20 2.766 -13.633 4.721 1.00 0.00 C ATOM 334 O ALA A 20 2.267 -13.728 3.600 1.00 0.00 O ATOM 335 CB ALA A 20 3.378 -11.435 5.730 1.00 0.00 C ATOM 0 H ALA A 20 4.075 -12.547 2.906 1.00 0.00 H new ATOM 0 HA ALA A 20 4.639 -13.157 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.890 -11.750 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.208 -10.770 5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.660 -10.909 5.101 1.00 0.00 H new ATOM 341 N VAL A 21 2.366 -14.366 5.756 1.00 0.00 N ATOM 342 CA VAL A 21 1.289 -15.340 5.633 1.00 0.00 C ATOM 343 C VAL A 21 -0.074 -14.671 5.747 1.00 0.00 C ATOM 344 O VAL A 21 -1.062 -15.145 5.184 1.00 0.00 O ATOM 345 CB VAL A 21 1.404 -16.438 6.707 1.00 0.00 C ATOM 346 CG1 VAL A 21 1.249 -15.849 8.101 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.376 -17.537 6.463 1.00 0.00 C ATOM 0 H VAL A 21 2.773 -14.303 6.689 1.00 0.00 H new ATOM 0 HA VAL A 21 1.383 -15.795 4.647 1.00 0.00 H new ATOM 0 HB VAL A 21 2.398 -16.881 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.334 -16.643 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.030 -15.108 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.272 -15.373 8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.473 -18.303 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.627 -17.112 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.546 -17.983 5.483 1.00 0.00 H new ATOM 357 N ASP A 22 -0.122 -13.563 6.480 1.00 0.00 N ATOM 358 CA ASP A 22 -1.357 -12.827 6.672 1.00 0.00 C ATOM 359 C ASP A 22 -1.574 -11.842 5.522 1.00 0.00 C ATOM 360 O ASP A 22 -1.204 -12.120 4.381 1.00 0.00 O ATOM 361 CB ASP A 22 -1.323 -12.095 8.019 1.00 0.00 C ATOM 362 CG ASP A 22 -0.808 -12.973 9.143 1.00 0.00 C ATOM 363 OD1 ASP A 22 0.414 -13.229 9.184 1.00 0.00 O ATOM 364 OD2 ASP A 22 -1.626 -13.403 9.984 1.00 0.00 O ATOM 0 H ASP A 22 0.687 -13.157 6.951 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.192 -13.528 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.690 -11.212 7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.326 -11.746 8.265 1.00 0.00 H new ATOM 369 N ALA A 23 -2.170 -10.696 5.825 1.00 0.00 N ATOM 370 CA ALA A 23 -2.433 -9.675 4.817 1.00 0.00 C ATOM 371 C ALA A 23 -2.478 -8.288 5.447 1.00 0.00 C ATOM 372 O ALA A 23 -1.898 -7.334 4.922 1.00 0.00 O ATOM 373 CB ALA A 23 -3.739 -9.971 4.095 1.00 0.00 C ATOM 0 H ALA A 23 -2.482 -10.449 6.764 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.619 -9.693 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.923 -9.201 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.673 -10.944 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.558 -9.980 4.814 1.00 0.00 H new ATOM 379 N GLY A 24 -3.167 -8.183 6.580 1.00 0.00 N ATOM 380 CA GLY A 24 -3.272 -6.911 7.269 1.00 0.00 C ATOM 381 C GLY A 24 -1.914 -6.291 7.542 1.00 0.00 C ATOM 382 O GLY A 24 -1.790 -5.074 7.694 1.00 0.00 O ATOM 0 H GLY A 24 -3.654 -8.957 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.869 -6.224 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.800 -7.053 8.212 1.00 0.00 H new ATOM 386 N ILE A 25 -0.890 -7.137 7.601 1.00 0.00 N ATOM 387 CA ILE A 25 0.467 -6.676 7.853 1.00 0.00 C ATOM 388 C ILE A 25 1.006 -5.901 6.654 1.00 0.00 C ATOM 389 O ILE A 25 1.645 -4.858 6.812 1.00 0.00 O ATOM 390 CB ILE A 25 1.408 -7.862 8.175 1.00 0.00 C ATOM 391 CG1 ILE A 25 1.084 -8.444 9.554 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.869 -7.431 8.117 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.112 -7.417 10.667 1.00 0.00 C ATOM 0 H ILE A 25 -0.977 -8.146 7.477 1.00 0.00 H new ATOM 0 HA ILE A 25 0.434 -6.013 8.718 1.00 0.00 H new ATOM 0 HB ILE A 25 1.248 -8.633 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.097 -8.906 9.522 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.799 -9.235 9.782 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.509 -8.283 8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.100 -7.063 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.044 -6.639 8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.873 -7.900 11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.105 -6.972 10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.378 -6.638 10.462 1.00 0.00 H new ATOM 405 N ALA A 26 0.753 -6.412 5.452 1.00 0.00 N ATOM 406 CA ALA A 26 1.229 -5.750 4.248 1.00 0.00 C ATOM 407 C ALA A 26 0.559 -4.400 4.056 1.00 0.00 C ATOM 408 O ALA A 26 1.231 -3.402 3.797 1.00 0.00 O ATOM 409 CB ALA A 26 1.028 -6.611 3.016 1.00 0.00 C ATOM 0 H ALA A 26 0.228 -7.271 5.290 1.00 0.00 H new ATOM 0 HA ALA A 26 2.299 -5.590 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.396 -6.081 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.576 -7.546 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.033 -6.826 2.892 1.00 0.00 H new ATOM 415 N GLU A 27 -0.768 -4.357 4.183 1.00 0.00 N ATOM 416 CA GLU A 27 -1.485 -3.093 4.016 1.00 0.00 C ATOM 417 C GLU A 27 -0.887 -2.045 4.941 1.00 0.00 C ATOM 418 O GLU A 27 -0.792 -0.870 4.589 1.00 0.00 O ATOM 419 CB GLU A 27 -2.986 -3.230 4.290 1.00 0.00 C ATOM 420 CG GLU A 27 -3.301 -3.761 5.669 1.00 0.00 C ATOM 421 CD GLU A 27 -4.752 -4.177 5.817 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.157 -5.159 5.160 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.482 -3.521 6.589 1.00 0.00 O ATOM 0 H GLU A 27 -1.356 -5.162 4.396 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.374 -2.788 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.460 -2.256 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.424 -3.894 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.659 -4.616 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.069 -2.996 6.410 1.00 0.00 H new ATOM 430 N LYS A 28 -0.462 -2.489 6.124 1.00 0.00 N ATOM 431 CA LYS A 28 0.151 -1.595 7.096 1.00 0.00 C ATOM 432 C LYS A 28 1.409 -0.963 6.509 1.00 0.00 C ATOM 433 O LYS A 28 1.660 0.226 6.698 1.00 0.00 O ATOM 434 CB LYS A 28 0.496 -2.352 8.379 1.00 0.00 C ATOM 435 CG LYS A 28 -0.715 -2.954 9.074 1.00 0.00 C ATOM 436 CD LYS A 28 -1.124 -2.139 10.291 1.00 0.00 C ATOM 437 CE LYS A 28 -2.632 -1.952 10.359 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.240 -2.739 11.468 1.00 0.00 N ATOM 0 H LYS A 28 -0.532 -3.460 6.428 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.563 -0.807 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.202 -3.148 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.000 -1.673 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.549 -3.007 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.490 -3.976 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.777 -2.637 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.637 -1.164 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.861 -0.895 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.078 -2.255 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.268 -2.584 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.044 -3.750 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.833 -2.433 12.375 1.00 0.00 H new ATOM 452 N TYR A 29 2.187 -1.764 5.784 1.00 0.00 N ATOM 453 CA TYR A 29 3.413 -1.276 5.155 1.00 0.00 C ATOM 454 C TYR A 29 3.108 -0.535 3.889 1.00 0.00 C ATOM 455 O TYR A 29 3.710 0.491 3.572 1.00 0.00 O ATOM 456 CB TYR A 29 4.339 -2.425 4.802 1.00 0.00 C ATOM 457 CG TYR A 29 5.449 -2.571 5.809 1.00 0.00 C ATOM 458 CD1 TYR A 29 6.114 -1.436 6.246 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.829 -3.799 6.330 1.00 0.00 C ATOM 460 CE1 TYR A 29 7.115 -1.507 7.162 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.842 -3.886 7.256 1.00 0.00 C ATOM 462 CZ TYR A 29 7.487 -2.734 7.674 1.00 0.00 C ATOM 463 OH TYR A 29 8.504 -2.812 8.605 1.00 0.00 O ATOM 0 H TYR A 29 1.991 -2.751 5.618 1.00 0.00 H new ATOM 0 HA TYR A 29 3.893 -0.613 5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.767 -3.352 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.764 -2.260 3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.830 -0.473 5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.324 -4.697 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.617 -0.608 7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.133 -4.847 7.655 1.00 0.00 H new ATOM 0 HH TYR A 29 8.640 -3.748 8.863 1.00 0.00 H new ATOM 473 N PHE A 30 2.157 -1.074 3.177 1.00 0.00 N ATOM 474 CA PHE A 30 1.721 -0.507 1.937 1.00 0.00 C ATOM 475 C PHE A 30 1.207 0.885 2.223 1.00 0.00 C ATOM 476 O PHE A 30 1.495 1.835 1.499 1.00 0.00 O ATOM 477 CB PHE A 30 0.640 -1.406 1.344 1.00 0.00 C ATOM 478 CG PHE A 30 1.150 -2.746 0.868 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.493 -2.975 0.609 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.264 -3.763 0.638 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.925 -4.191 0.130 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.683 -4.984 0.147 1.00 0.00 C ATOM 483 CZ PHE A 30 2.020 -5.193 -0.110 1.00 0.00 C ATOM 0 H PHE A 30 1.662 -1.924 3.445 1.00 0.00 H new ATOM 0 HA PHE A 30 2.531 -0.437 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.135 -1.569 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.170 -0.889 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.211 -2.188 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.785 -3.608 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.976 -4.356 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.034 -5.771 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.355 -6.143 -0.499 1.00 0.00 H new ATOM 493 N LYS A 31 0.494 0.995 3.338 1.00 0.00 N ATOM 494 CA LYS A 31 -0.013 2.269 3.792 1.00 0.00 C ATOM 495 C LYS A 31 1.101 3.000 4.533 1.00 0.00 C ATOM 496 O LYS A 31 1.075 4.223 4.659 1.00 0.00 O ATOM 497 CB LYS A 31 -1.240 2.089 4.697 1.00 0.00 C ATOM 498 CG LYS A 31 -0.907 1.638 6.117 1.00 0.00 C ATOM 499 CD LYS A 31 -2.162 1.478 6.962 1.00 0.00 C ATOM 500 CE LYS A 31 -3.129 0.478 6.349 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.768 -0.385 7.382 1.00 0.00 N ATOM 0 H LYS A 31 0.257 0.208 3.942 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.332 2.857 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.784 3.032 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.909 1.358 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.368 0.691 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.243 2.365 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.886 1.150 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.656 2.444 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.901 1.013 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.598 -0.148 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.681 -0.734 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.147 -1.192 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.923 0.168 8.249 1.00 0.00 H new ATOM 515 N LEU A 32 2.097 2.237 5.012 1.00 0.00 N ATOM 516 CA LEU A 32 3.221 2.848 5.722 1.00 0.00 C ATOM 517 C LEU A 32 3.970 3.801 4.796 1.00 0.00 C ATOM 518 O LEU A 32 4.268 4.936 5.171 1.00 0.00 O ATOM 519 CB LEU A 32 4.176 1.802 6.316 1.00 0.00 C ATOM 520 CG LEU A 32 5.246 2.388 7.239 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.597 3.225 8.327 1.00 0.00 C ATOM 522 CD2 LEU A 32 6.095 1.284 7.842 1.00 0.00 C ATOM 0 H LEU A 32 2.144 1.222 4.922 1.00 0.00 H new ATOM 0 HA LEU A 32 2.811 3.411 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.593 1.068 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.666 1.269 5.501 1.00 0.00 H new ATOM 0 HG LEU A 32 5.900 3.032 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.368 3.637 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.033 4.039 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.923 2.600 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.850 1.721 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.461 0.612 8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.585 0.725 7.045 1.00 0.00 H new ATOM 534 N ILE A 33 4.253 3.350 3.573 1.00 0.00 N ATOM 535 CA ILE A 33 4.940 4.187 2.605 1.00 0.00 C ATOM 536 C ILE A 33 3.941 4.980 1.771 1.00 0.00 C ATOM 537 O ILE A 33 4.196 6.130 1.418 1.00 0.00 O ATOM 538 CB ILE A 33 5.849 3.368 1.665 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.619 4.302 0.719 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.030 2.361 0.871 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.118 5.571 1.384 1.00 0.00 C ATOM 0 H ILE A 33 4.017 2.416 3.237 1.00 0.00 H new ATOM 0 HA ILE A 33 5.568 4.871 3.176 1.00 0.00 H new ATOM 0 HB ILE A 33 6.569 2.820 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.470 3.762 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.973 4.571 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.689 1.793 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.527 1.680 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.287 2.888 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.652 6.179 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.271 6.134 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.791 5.313 2.202 1.00 0.00 H new ATOM 553 N ALA A 34 2.794 4.377 1.467 1.00 0.00 N ATOM 554 CA ALA A 34 1.773 5.062 0.690 1.00 0.00 C ATOM 555 C ALA A 34 1.300 6.303 1.436 1.00 0.00 C ATOM 556 O ALA A 34 0.887 7.290 0.826 1.00 0.00 O ATOM 557 CB ALA A 34 0.609 4.131 0.403 1.00 0.00 C ATOM 0 H ALA A 34 2.553 3.426 1.745 1.00 0.00 H new ATOM 0 HA ALA A 34 2.202 5.370 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.145 4.660 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.964 3.268 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.172 3.795 1.343 1.00 0.00 H new ATOM 563 N ASN A 35 1.388 6.250 2.765 1.00 0.00 N ATOM 564 CA ASN A 35 0.994 7.372 3.604 1.00 0.00 C ATOM 565 C ASN A 35 2.178 8.312 3.800 1.00 0.00 C ATOM 566 O ASN A 35 2.010 9.525 3.929 1.00 0.00 O ATOM 567 CB ASN A 35 0.489 6.875 4.960 1.00 0.00 C ATOM 568 CG ASN A 35 -0.182 7.969 5.765 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.409 8.056 5.816 1.00 0.00 O ATOM 570 ND2 ASN A 35 0.622 8.814 6.402 1.00 0.00 N ATOM 0 H ASN A 35 1.730 5.439 3.280 1.00 0.00 H new ATOM 0 HA ASN A 35 0.186 7.912 3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.216 6.058 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.326 6.470 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.227 9.571 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.634 8.706 6.333 1.00 0.00 H new ATOM 577 N ALA A 36 3.380 7.740 3.810 1.00 0.00 N ATOM 578 CA ALA A 36 4.599 8.520 3.975 1.00 0.00 C ATOM 579 C ALA A 36 4.966 9.229 2.676 1.00 0.00 C ATOM 580 O ALA A 36 5.550 10.312 2.690 1.00 0.00 O ATOM 581 CB ALA A 36 5.742 7.626 4.435 1.00 0.00 C ATOM 0 H ALA A 36 3.533 6.737 3.705 1.00 0.00 H new ATOM 0 HA ALA A 36 4.421 9.277 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.646 8.223 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.483 7.166 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.917 6.848 3.692 1.00 0.00 H new ATOM 587 N LYS A 37 4.606 8.613 1.551 1.00 0.00 N ATOM 588 CA LYS A 37 4.888 9.196 0.239 1.00 0.00 C ATOM 589 C LYS A 37 3.718 10.062 -0.221 1.00 0.00 C ATOM 590 O LYS A 37 3.907 11.187 -0.684 1.00 0.00 O ATOM 591 CB LYS A 37 5.178 8.118 -0.816 1.00 0.00 C ATOM 592 CG LYS A 37 6.600 7.586 -0.764 1.00 0.00 C ATOM 593 CD LYS A 37 7.478 8.231 -1.825 1.00 0.00 C ATOM 594 CE LYS A 37 7.168 7.687 -3.211 1.00 0.00 C ATOM 595 NZ LYS A 37 8.294 7.909 -4.159 1.00 0.00 N ATOM 0 H LYS A 37 4.121 7.716 1.520 1.00 0.00 H new ATOM 0 HA LYS A 37 5.780 9.813 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.483 7.289 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.989 8.531 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.023 7.774 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.590 6.505 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.329 9.311 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.527 8.052 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.956 6.620 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.269 8.167 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.961 7.763 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.648 8.881 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.061 7.238 -3.951 1.00 0.00 H new ATOM 609 N THR A 38 2.508 9.524 -0.086 1.00 0.00 N ATOM 610 CA THR A 38 1.297 10.237 -0.482 1.00 0.00 C ATOM 611 C THR A 38 0.173 9.977 0.522 1.00 0.00 C ATOM 612 O THR A 38 0.429 9.567 1.653 1.00 0.00 O ATOM 613 CB THR A 38 0.863 9.809 -1.886 1.00 0.00 C ATOM 614 OG1 THR A 38 1.899 9.095 -2.537 1.00 0.00 O ATOM 615 CG2 THR A 38 0.480 10.972 -2.774 1.00 0.00 C ATOM 0 H THR A 38 2.340 8.593 0.296 1.00 0.00 H new ATOM 0 HA THR A 38 1.512 11.305 -0.494 1.00 0.00 H new ATOM 0 HB THR A 38 -0.015 9.181 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.601 8.829 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.183 10.599 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.352 11.514 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.333 11.642 -2.884 1.00 0.00 H new ATOM 623 N VAL A 39 -1.070 10.214 0.107 1.00 0.00 N ATOM 624 CA VAL A 39 -2.217 9.997 0.985 1.00 0.00 C ATOM 625 C VAL A 39 -3.536 10.298 0.272 1.00 0.00 C ATOM 626 O VAL A 39 -4.485 10.788 0.885 1.00 0.00 O ATOM 627 CB VAL A 39 -2.118 10.863 2.258 1.00 0.00 C ATOM 628 CG1 VAL A 39 -2.175 12.345 1.911 1.00 0.00 C ATOM 629 CG2 VAL A 39 -3.215 10.493 3.247 1.00 0.00 C ATOM 0 H VAL A 39 -1.307 10.554 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.202 8.944 1.266 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.156 10.666 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.103 12.936 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.345 12.596 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.117 12.565 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.127 11.115 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.190 10.654 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.115 9.444 3.526 1.00 0.00 H new ATOM 639 N GLU A 40 -3.595 9.997 -1.023 1.00 0.00 N ATOM 640 CA GLU A 40 -4.803 10.234 -1.807 1.00 0.00 C ATOM 641 C GLU A 40 -4.926 9.217 -2.937 1.00 0.00 C ATOM 642 O GLU A 40 -4.076 9.157 -3.826 1.00 0.00 O ATOM 643 CB GLU A 40 -4.808 11.650 -2.395 1.00 0.00 C ATOM 644 CG GLU A 40 -4.100 12.689 -1.536 1.00 0.00 C ATOM 645 CD GLU A 40 -4.943 13.148 -0.363 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.184 13.030 -0.442 1.00 0.00 O ATOM 647 OE2 GLU A 40 -4.362 13.624 0.635 1.00 0.00 O ATOM 0 H GLU A 40 -2.822 9.590 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.654 10.126 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.335 11.625 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.841 11.964 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.164 12.271 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.842 13.550 -2.152 1.00 0.00 H new ATOM 654 N GLY A 41 -5.990 8.424 -2.899 1.00 0.00 N ATOM 655 CA GLY A 41 -6.203 7.423 -3.933 1.00 0.00 C ATOM 656 C GLY A 41 -7.130 6.307 -3.492 1.00 0.00 C ATOM 657 O GLY A 41 -7.301 6.068 -2.296 1.00 0.00 O ATOM 0 H GLY A 41 -6.708 8.454 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.618 7.905 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.242 6.997 -4.223 1.00 0.00 H new ATOM 661 N VAL A 42 -7.721 5.615 -4.463 1.00 0.00 N ATOM 662 CA VAL A 42 -8.626 4.510 -4.170 1.00 0.00 C ATOM 663 C VAL A 42 -7.834 3.261 -3.811 1.00 0.00 C ATOM 664 O VAL A 42 -7.200 2.643 -4.666 1.00 0.00 O ATOM 665 CB VAL A 42 -9.559 4.199 -5.358 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.683 5.221 -5.435 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.779 4.156 -6.664 1.00 0.00 C ATOM 0 H VAL A 42 -7.589 5.800 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.243 4.814 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.000 3.215 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.331 4.986 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.263 5.194 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.261 6.217 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.459 3.935 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.303 5.122 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.015 3.381 -6.606 1.00 0.00 H new ATOM 677 N TRP A 43 -7.859 2.911 -2.533 1.00 0.00 N ATOM 678 CA TRP A 43 -7.139 1.764 -2.030 1.00 0.00 C ATOM 679 C TRP A 43 -7.877 0.463 -2.337 1.00 0.00 C ATOM 680 O TRP A 43 -9.063 0.325 -2.037 1.00 0.00 O ATOM 681 CB TRP A 43 -6.971 1.943 -0.529 1.00 0.00 C ATOM 682 CG TRP A 43 -5.649 2.538 -0.133 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.341 3.873 -0.083 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.457 1.839 0.263 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.043 4.043 0.322 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.480 2.816 0.544 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.109 0.489 0.416 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.197 2.485 0.964 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.828 0.179 0.832 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.895 1.169 1.101 1.00 0.00 C ATOM 0 H TRP A 43 -8.382 3.419 -1.820 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.167 1.697 -2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.772 2.581 -0.157 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.083 0.974 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.023 4.674 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.572 4.940 0.439 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.827 -0.292 0.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.464 3.250 1.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.547 -0.857 0.950 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.905 0.886 1.427 1.00 0.00 H new ATOM 701 N THR A 44 -7.165 -0.487 -2.935 1.00 0.00 N ATOM 702 CA THR A 44 -7.749 -1.778 -3.282 1.00 0.00 C ATOM 703 C THR A 44 -6.710 -2.890 -3.171 1.00 0.00 C ATOM 704 O THR A 44 -5.517 -2.660 -3.369 1.00 0.00 O ATOM 705 CB THR A 44 -8.321 -1.738 -4.700 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.337 -1.314 -5.626 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.511 -0.814 -4.840 1.00 0.00 C ATOM 0 H THR A 44 -6.182 -0.387 -3.189 1.00 0.00 H new ATOM 0 HA THR A 44 -8.556 -1.986 -2.579 1.00 0.00 H new ATOM 0 HB THR A 44 -8.647 -2.757 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.557 -0.972 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.867 -0.833 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.308 -1.144 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.216 0.202 -4.577 1.00 0.00 H new ATOM 715 N TYR A 45 -7.171 -4.097 -2.859 1.00 0.00 N ATOM 716 CA TYR A 45 -6.277 -5.246 -2.728 1.00 0.00 C ATOM 717 C TYR A 45 -6.893 -6.492 -3.361 1.00 0.00 C ATOM 718 O TYR A 45 -8.100 -6.716 -3.271 1.00 0.00 O ATOM 719 CB TYR A 45 -5.938 -5.506 -1.250 1.00 0.00 C ATOM 720 CG TYR A 45 -5.390 -6.891 -0.977 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.125 -7.258 -1.417 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.139 -7.829 -0.276 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.621 -8.521 -1.168 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.642 -9.093 -0.023 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.384 -9.434 -0.471 1.00 0.00 C ATOM 726 OH TYR A 45 -3.886 -10.693 -0.222 1.00 0.00 O ATOM 0 H TYR A 45 -8.155 -4.306 -2.692 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.353 -5.015 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.208 -4.766 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.836 -5.357 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.525 -6.545 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.125 -7.565 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.635 -8.791 -1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.236 -9.810 0.523 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.179 -10.637 0.454 1.00 0.00 H new ATOM 736 N LYS A 46 -6.049 -7.300 -3.995 1.00 0.00 N ATOM 737 CA LYS A 46 -6.499 -8.528 -4.638 1.00 0.00 C ATOM 738 C LYS A 46 -5.976 -9.749 -3.889 1.00 0.00 C ATOM 739 O LYS A 46 -4.811 -9.794 -3.496 1.00 0.00 O ATOM 740 CB LYS A 46 -6.031 -8.567 -6.094 1.00 0.00 C ATOM 741 CG LYS A 46 -6.307 -7.281 -6.857 1.00 0.00 C ATOM 742 CD LYS A 46 -5.271 -7.043 -7.944 1.00 0.00 C ATOM 743 CE LYS A 46 -5.820 -7.376 -9.322 1.00 0.00 C ATOM 744 NZ LYS A 46 -6.217 -6.153 -10.072 1.00 0.00 N ATOM 0 H LYS A 46 -5.047 -7.125 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.589 -8.547 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.960 -8.771 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.524 -9.395 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.300 -7.328 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.309 -6.439 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.951 -6.001 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.389 -7.652 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.067 -7.922 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.682 -8.035 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.586 -6.423 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.954 -5.645 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.389 -5.535 -10.192 1.00 0.00 H new ATOM 758 N ASP A 47 -6.844 -10.736 -3.691 1.00 0.00 N ATOM 759 CA ASP A 47 -6.465 -11.955 -2.985 1.00 0.00 C ATOM 760 C ASP A 47 -5.960 -13.015 -3.958 1.00 0.00 C ATOM 761 O ASP A 47 -5.137 -13.853 -3.602 1.00 0.00 O ATOM 762 CB ASP A 47 -7.653 -12.500 -2.190 1.00 0.00 C ATOM 763 CG ASP A 47 -7.299 -13.740 -1.393 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.078 -14.795 -2.013 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.243 -13.651 -0.149 1.00 0.00 O ATOM 0 H ASP A 47 -7.813 -10.716 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.658 -11.708 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.017 -11.728 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.468 -12.733 -2.875 1.00 0.00 H new ATOM 770 N GLU A 48 -6.462 -12.968 -5.187 1.00 0.00 N ATOM 771 CA GLU A 48 -6.070 -13.922 -6.215 1.00 0.00 C ATOM 772 C GLU A 48 -4.553 -13.975 -6.369 1.00 0.00 C ATOM 773 O GLU A 48 -3.986 -15.037 -6.638 1.00 0.00 O ATOM 774 CB GLU A 48 -6.716 -13.552 -7.552 1.00 0.00 C ATOM 775 CG GLU A 48 -8.108 -14.138 -7.734 1.00 0.00 C ATOM 776 CD GLU A 48 -8.598 -14.044 -9.166 1.00 0.00 C ATOM 777 OE1 GLU A 48 -8.187 -13.103 -9.873 1.00 0.00 O ATOM 778 OE2 GLU A 48 -9.391 -14.915 -9.579 1.00 0.00 O ATOM 0 H GLU A 48 -7.144 -12.275 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.417 -14.909 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.774 -12.466 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.076 -13.897 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.102 -15.183 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.806 -13.616 -7.080 1.00 0.00 H new ATOM 785 N ILE A 49 -3.897 -12.833 -6.199 1.00 0.00 N ATOM 786 CA ILE A 49 -2.445 -12.762 -6.324 1.00 0.00 C ATOM 787 C ILE A 49 -1.814 -11.951 -5.194 1.00 0.00 C ATOM 788 O ILE A 49 -0.623 -11.646 -5.227 1.00 0.00 O ATOM 789 CB ILE A 49 -2.022 -12.152 -7.674 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.644 -10.766 -7.857 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.412 -13.078 -8.821 1.00 0.00 C ATOM 792 CD1 ILE A 49 -4.135 -10.792 -8.126 1.00 0.00 C ATOM 0 H ILE A 49 -4.346 -11.945 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.085 -13.789 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.938 -12.039 -7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.457 -10.174 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.144 -10.261 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.106 -12.633 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.917 -14.041 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.492 -13.223 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.501 -9.772 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.330 -11.356 -9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.647 -11.267 -7.289 1.00 0.00 H new ATOM 804 N LYS A 50 -2.616 -11.597 -4.191 1.00 0.00 N ATOM 805 CA LYS A 50 -2.125 -10.823 -3.054 1.00 0.00 C ATOM 806 C LYS A 50 -1.361 -9.582 -3.517 1.00 0.00 C ATOM 807 O LYS A 50 -0.129 -9.547 -3.478 1.00 0.00 O ATOM 808 CB LYS A 50 -1.224 -11.690 -2.174 1.00 0.00 C ATOM 809 CG LYS A 50 -1.831 -13.037 -1.831 1.00 0.00 C ATOM 810 CD LYS A 50 -0.779 -14.139 -1.829 1.00 0.00 C ATOM 811 CE LYS A 50 -1.138 -15.253 -2.795 1.00 0.00 C ATOM 812 NZ LYS A 50 -0.462 -15.088 -4.113 1.00 0.00 N ATOM 0 H LYS A 50 -3.607 -11.834 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.988 -10.496 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.274 -11.848 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.005 -11.153 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.306 -12.984 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.612 -13.279 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.190 -13.719 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.679 -14.546 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.858 -16.213 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.218 -15.272 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.015 -15.570 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.389 -14.076 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.491 -15.503 -4.069 1.00 0.00 H new ATOM 826 N THR A 51 -2.097 -8.566 -3.958 1.00 0.00 N ATOM 827 CA THR A 51 -1.479 -7.333 -4.429 1.00 0.00 C ATOM 828 C THR A 51 -2.339 -6.118 -4.106 1.00 0.00 C ATOM 829 O THR A 51 -3.513 -6.056 -4.473 1.00 0.00 O ATOM 830 CB THR A 51 -1.229 -7.412 -5.936 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.380 -8.503 -6.246 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.596 -6.162 -6.509 1.00 0.00 C ATOM 0 H THR A 51 -3.116 -8.573 -3.999 1.00 0.00 H new ATOM 0 HA THR A 51 -0.527 -7.218 -3.910 1.00 0.00 H new ATOM 0 HB THR A 51 -2.215 -7.536 -6.384 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.233 -8.538 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.447 -6.288 -7.581 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.250 -5.309 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.366 -5.988 -6.027 1.00 0.00 H new ATOM 840 N PHE A 52 -1.738 -5.146 -3.427 1.00 0.00 N ATOM 841 CA PHE A 52 -2.431 -3.918 -3.060 1.00 0.00 C ATOM 842 C PHE A 52 -2.168 -2.841 -4.106 1.00 0.00 C ATOM 843 O PHE A 52 -1.065 -2.736 -4.640 1.00 0.00 O ATOM 844 CB PHE A 52 -1.971 -3.448 -1.681 1.00 0.00 C ATOM 845 CG PHE A 52 -2.942 -3.752 -0.578 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.914 -4.979 0.067 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.879 -2.811 -0.181 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.805 -5.261 1.086 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.771 -3.088 0.837 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.734 -4.315 1.472 1.00 0.00 C ATOM 0 H PHE A 52 -0.767 -5.187 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.503 -4.112 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.015 -3.917 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.799 -2.372 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.189 -5.722 -0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.912 -1.850 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.774 -6.221 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.497 -2.346 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.430 -4.533 2.268 1.00 0.00 H new ATOM 860 N THR A 53 -3.190 -2.060 -4.408 1.00 0.00 N ATOM 861 CA THR A 53 -3.063 -1.002 -5.411 1.00 0.00 C ATOM 862 C THR A 53 -3.874 0.242 -5.049 1.00 0.00 C ATOM 863 O THR A 53 -5.008 0.143 -4.580 1.00 0.00 O ATOM 864 CB THR A 53 -3.504 -1.523 -6.779 1.00 0.00 C ATOM 865 OG1 THR A 53 -3.099 -2.870 -6.957 1.00 0.00 O ATOM 866 CG2 THR A 53 -2.944 -0.721 -7.933 1.00 0.00 C ATOM 0 H THR A 53 -4.113 -2.132 -3.980 1.00 0.00 H new ATOM 0 HA THR A 53 -2.013 -0.712 -5.443 1.00 0.00 H new ATOM 0 HB THR A 53 -4.590 -1.432 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.392 -3.186 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.296 -1.144 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.277 0.314 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.855 -0.754 -7.905 1.00 0.00 H new ATOM 874 N VAL A 54 -3.293 1.414 -5.308 1.00 0.00 N ATOM 875 CA VAL A 54 -3.973 2.683 -5.049 1.00 0.00 C ATOM 876 C VAL A 54 -4.040 3.517 -6.330 1.00 0.00 C ATOM 877 O VAL A 54 -3.067 3.588 -7.081 1.00 0.00 O ATOM 878 CB VAL A 54 -3.302 3.494 -3.903 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.636 4.773 -4.419 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.337 3.842 -2.836 1.00 0.00 C ATOM 0 H VAL A 54 -2.355 1.511 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.985 2.447 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.522 2.867 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.180 5.308 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.868 4.515 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.385 5.408 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.859 4.410 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.132 4.440 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.760 2.925 -2.426 1.00 0.00 H new ATOM 890 N THR A 55 -5.188 4.138 -6.579 1.00 0.00 N ATOM 891 CA THR A 55 -5.365 4.956 -7.777 1.00 0.00 C ATOM 892 C THR A 55 -5.895 6.343 -7.428 1.00 0.00 C ATOM 893 O THR A 55 -6.899 6.480 -6.733 1.00 0.00 O ATOM 894 CB THR A 55 -6.320 4.266 -8.753 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.372 2.872 -8.503 1.00 0.00 O ATOM 896 CG2 THR A 55 -5.936 4.457 -10.204 1.00 0.00 C ATOM 0 H THR A 55 -6.007 4.092 -5.972 1.00 0.00 H new ATOM 0 HA THR A 55 -4.389 5.072 -8.248 1.00 0.00 H new ATOM 0 HB THR A 55 -7.290 4.735 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.989 2.449 -9.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.655 3.942 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.935 5.520 -10.443 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.941 4.046 -10.374 1.00 0.00 H new ATOM 904 N GLU A 56 -5.213 7.373 -7.921 1.00 0.00 N ATOM 905 CA GLU A 56 -5.619 8.751 -7.663 1.00 0.00 C ATOM 906 C GLU A 56 -7.013 9.018 -8.221 1.00 0.00 C ATOM 907 O GLU A 56 -7.892 9.439 -7.440 1.00 0.00 O ATOM 908 CB GLU A 56 -4.616 9.729 -8.278 1.00 0.00 C ATOM 909 CG GLU A 56 -4.178 9.351 -9.684 1.00 0.00 C ATOM 910 CD GLU A 56 -4.251 10.514 -10.653 1.00 0.00 C ATOM 911 OE1 GLU A 56 -5.237 11.279 -10.589 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.324 10.661 -11.477 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.213 8.807 -9.436 1.00 0.00 O ATOM 0 H GLU A 56 -4.379 7.280 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.642 8.899 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.059 10.724 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.737 9.786 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.156 8.974 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.806 8.539 -10.050 1.00 0.00 H new