USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 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 30:sc= -3.6! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -0.845 USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.146 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+ -176:sc= 0 (180deg=-0.0088) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1 (180deg=0.913) 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+ -121:sc= -0.0166 (180deg=-0.0733) USER MOD Single : A 35 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.43) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 86:sc= -2.64! USER MOD Single : A 44 THR OG1 : rot 6:sc= 0.547 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0423) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 110:sc= -0.812 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 55 THR OG1 : rot 160:sc= -1.87 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.386 -13.543 -0.771 1.00 0.00 N ATOM 18 CA THR A 2 4.973 -12.329 -1.313 1.00 0.00 C ATOM 19 C THR A 2 3.887 -11.380 -1.815 1.00 0.00 C ATOM 20 O THR A 2 3.120 -11.719 -2.716 1.00 0.00 O ATOM 21 CB THR A 2 5.940 -12.663 -2.450 1.00 0.00 C ATOM 22 OG1 THR A 2 6.904 -13.606 -2.026 1.00 0.00 O ATOM 23 CG2 THR A 2 6.681 -11.446 -2.977 1.00 0.00 C ATOM 0 HA THR A 2 5.525 -11.835 -0.514 1.00 0.00 H new ATOM 0 HB THR A 2 5.322 -13.068 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.558 -14.104 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.351 -11.748 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.963 -10.719 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.261 -10.996 -2.171 1.00 0.00 H new ATOM 31 N TYR A 3 3.827 -10.192 -1.227 1.00 0.00 N ATOM 32 CA TYR A 3 2.835 -9.198 -1.617 1.00 0.00 C ATOM 33 C TYR A 3 3.450 -8.136 -2.520 1.00 0.00 C ATOM 34 O TYR A 3 4.648 -7.861 -2.444 1.00 0.00 O ATOM 35 CB TYR A 3 2.238 -8.524 -0.384 1.00 0.00 C ATOM 36 CG TYR A 3 1.163 -9.327 0.303 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.195 -10.715 0.316 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.111 -8.685 0.935 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.203 -11.442 0.945 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.886 -9.403 1.565 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.836 -10.781 1.567 1.00 0.00 C ATOM 42 OH TYR A 3 -1.828 -11.502 2.192 1.00 0.00 O ATOM 0 H TYR A 3 4.453 -9.893 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 3 2.048 -9.716 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.038 -8.324 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.823 -7.559 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.007 -11.234 -0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.070 -7.606 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.241 -12.521 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.700 -8.888 2.053 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.458 -12.346 2.526 1.00 0.00 H new ATOM 52 N LYS A 4 2.616 -7.534 -3.366 1.00 0.00 N ATOM 53 CA LYS A 4 3.072 -6.493 -4.282 1.00 0.00 C ATOM 54 C LYS A 4 2.170 -5.263 -4.209 1.00 0.00 C ATOM 55 O LYS A 4 0.945 -5.379 -4.191 1.00 0.00 O ATOM 56 CB LYS A 4 3.118 -7.031 -5.714 1.00 0.00 C ATOM 57 CG LYS A 4 4.508 -7.456 -6.160 1.00 0.00 C ATOM 58 CD LYS A 4 4.756 -8.929 -5.879 1.00 0.00 C ATOM 59 CE LYS A 4 5.471 -9.597 -7.036 1.00 0.00 C ATOM 60 NZ LYS A 4 5.912 -10.985 -6.691 1.00 0.00 N ATOM 0 H LYS A 4 1.622 -7.750 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 4 4.077 -6.195 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.443 -7.883 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.746 -6.264 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.624 -7.263 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.257 -6.855 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.351 -9.033 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.806 -9.432 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.809 -9.631 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.338 -9.001 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.397 -11.408 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.564 -10.951 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.082 -11.562 -6.444 1.00 0.00 H new ATOM 74 N LEU A 5 2.788 -4.087 -4.168 1.00 0.00 N ATOM 75 CA LEU A 5 2.051 -2.828 -4.094 1.00 0.00 C ATOM 76 C LEU A 5 2.347 -1.938 -5.279 1.00 0.00 C ATOM 77 O LEU A 5 3.483 -1.852 -5.743 1.00 0.00 O ATOM 78 CB LEU A 5 2.416 -2.027 -2.843 1.00 0.00 C ATOM 79 CG LEU A 5 1.517 -0.812 -2.575 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.048 -1.196 -2.630 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.853 -0.171 -1.237 1.00 0.00 C ATOM 0 H LEU A 5 3.802 -3.978 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 5 0.998 -3.109 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.375 -2.690 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.447 -1.686 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 5 1.705 -0.080 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.566 -0.316 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.188 -1.593 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.158 -1.955 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.202 0.687 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.706 -0.898 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.892 0.157 -1.242 1.00 0.00 H new ATOM 93 N ILE A 6 1.328 -1.230 -5.725 1.00 0.00 N ATOM 94 CA ILE A 6 1.488 -0.289 -6.807 1.00 0.00 C ATOM 95 C ILE A 6 0.716 0.982 -6.484 1.00 0.00 C ATOM 96 O ILE A 6 -0.508 0.956 -6.348 1.00 0.00 O ATOM 97 CB ILE A 6 1.009 -0.863 -8.154 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.585 -2.264 -8.370 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.405 0.060 -9.296 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.096 -2.294 -8.427 1.00 0.00 C ATOM 0 H ILE A 6 0.381 -1.291 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 6 2.551 -0.072 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.078 -0.936 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.247 -2.915 -7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.186 -2.673 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.059 -0.360 -10.240 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.950 1.039 -9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.490 0.163 -9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.434 -3.319 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.442 -1.669 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.503 -1.916 -7.489 1.00 0.00 H new ATOM 112 N LEU A 7 1.433 2.089 -6.340 1.00 0.00 N ATOM 113 CA LEU A 7 0.802 3.358 -6.006 1.00 0.00 C ATOM 114 C LEU A 7 0.635 4.235 -7.236 1.00 0.00 C ATOM 115 O LEU A 7 1.569 4.415 -8.018 1.00 0.00 O ATOM 116 CB LEU A 7 1.613 4.094 -4.940 1.00 0.00 C ATOM 117 CG LEU A 7 1.982 3.257 -3.713 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.071 2.251 -4.056 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.424 4.156 -2.571 1.00 0.00 C ATOM 0 H LEU A 7 2.446 2.134 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.190 3.141 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.530 4.466 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.045 4.964 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 7 1.098 2.705 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.318 1.666 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.716 1.585 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.959 2.780 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.683 3.545 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.294 4.735 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.612 4.834 -2.307 1.00 0.00 H new ATOM 131 N ASN A 8 -0.567 4.776 -7.395 1.00 0.00 N ATOM 132 CA ASN A 8 -0.871 5.641 -8.531 1.00 0.00 C ATOM 133 C ASN A 8 -1.565 6.919 -8.073 1.00 0.00 C ATOM 134 O ASN A 8 -2.737 6.900 -7.694 1.00 0.00 O ATOM 135 CB ASN A 8 -1.750 4.898 -9.541 1.00 0.00 C ATOM 136 CG ASN A 8 -0.974 4.454 -10.765 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.765 3.260 -10.982 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.540 5.415 -11.572 1.00 0.00 N ATOM 0 H ASN A 8 -1.347 4.632 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 8 0.069 5.915 -9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.194 4.027 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.571 5.545 -9.850 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.010 5.176 -12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.736 6.392 -11.353 1.00 0.00 H new ATOM 145 N LEU A 9 -0.833 8.029 -8.108 1.00 0.00 N ATOM 146 CA LEU A 9 -1.380 9.317 -7.696 1.00 0.00 C ATOM 147 C LEU A 9 -1.454 10.287 -8.878 1.00 0.00 C ATOM 148 O LEU A 9 -2.213 11.255 -8.848 1.00 0.00 O ATOM 149 CB LEU A 9 -0.529 9.921 -6.563 1.00 0.00 C ATOM 150 CG LEU A 9 0.702 10.711 -7.017 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.375 11.376 -5.828 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.682 9.800 -7.743 1.00 0.00 C ATOM 0 H LEU A 9 0.139 8.062 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.393 9.152 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.162 10.578 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.201 9.114 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 9 0.377 11.488 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.248 11.933 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.674 12.058 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.687 10.614 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.551 10.378 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.001 9.002 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.197 9.367 -8.618 1.00 0.00 H new ATOM 213 N LYS A 13 4.633 5.632 -11.030 1.00 0.00 N ATOM 214 CA LYS A 13 4.110 4.510 -10.259 1.00 0.00 C ATOM 215 C LYS A 13 5.158 3.993 -9.278 1.00 0.00 C ATOM 216 O LYS A 13 6.297 3.714 -9.657 1.00 0.00 O ATOM 217 CB LYS A 13 3.673 3.373 -11.203 1.00 0.00 C ATOM 218 CG LYS A 13 4.758 2.955 -12.187 1.00 0.00 C ATOM 219 CD LYS A 13 4.546 1.531 -12.676 1.00 0.00 C ATOM 220 CE LYS A 13 5.528 0.565 -12.032 1.00 0.00 C ATOM 221 NZ LYS A 13 4.830 -0.591 -11.399 1.00 0.00 N ATOM 0 HA LYS A 13 3.246 4.859 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.380 2.508 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.791 3.691 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.762 3.636 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.735 3.036 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.526 1.217 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.659 1.497 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.227 0.200 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.116 1.091 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.525 -1.192 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.133 -0.241 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.344 -1.147 -12.132 1.00 0.00 H new ATOM 235 N GLU A 14 4.765 3.866 -8.022 1.00 0.00 N ATOM 236 CA GLU A 14 5.663 3.376 -6.981 1.00 0.00 C ATOM 237 C GLU A 14 5.377 1.907 -6.678 1.00 0.00 C ATOM 238 O GLU A 14 4.282 1.413 -6.944 1.00 0.00 O ATOM 239 CB GLU A 14 5.520 4.225 -5.713 1.00 0.00 C ATOM 240 CG GLU A 14 6.329 3.707 -4.534 1.00 0.00 C ATOM 241 CD GLU A 14 7.825 3.768 -4.781 1.00 0.00 C ATOM 242 OE1 GLU A 14 8.252 4.565 -5.643 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.567 3.017 -4.114 1.00 0.00 O ATOM 0 H GLU A 14 3.827 4.096 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 14 6.689 3.459 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.830 5.246 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.468 4.265 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.087 4.292 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.041 2.677 -4.325 1.00 0.00 H new ATOM 250 N GLU A 15 6.370 1.209 -6.132 1.00 0.00 N ATOM 251 CA GLU A 15 6.216 -0.208 -5.814 1.00 0.00 C ATOM 252 C GLU A 15 6.494 -0.489 -4.338 1.00 0.00 C ATOM 253 O GLU A 15 7.115 0.316 -3.644 1.00 0.00 O ATOM 254 CB GLU A 15 7.154 -1.046 -6.688 1.00 0.00 C ATOM 255 CG GLU A 15 7.177 -0.615 -8.146 1.00 0.00 C ATOM 256 CD GLU A 15 8.571 -0.281 -8.631 1.00 0.00 C ATOM 257 OE1 GLU A 15 9.418 -1.198 -8.678 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.817 0.897 -8.964 1.00 0.00 O ATOM 0 H GLU A 15 7.284 1.598 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 15 5.181 -0.483 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.164 -0.985 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.851 -2.092 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.762 -1.412 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.533 0.255 -8.274 1.00 0.00 H new ATOM 265 N ALA A 16 6.034 -1.649 -3.873 1.00 0.00 N ATOM 266 CA ALA A 16 6.227 -2.070 -2.496 1.00 0.00 C ATOM 267 C ALA A 16 5.921 -3.557 -2.373 1.00 0.00 C ATOM 268 O ALA A 16 5.012 -4.068 -3.023 1.00 0.00 O ATOM 269 CB ALA A 16 5.328 -1.263 -1.553 1.00 0.00 C ATOM 0 H ALA A 16 5.518 -2.319 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 16 7.264 -1.890 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.488 -1.594 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.572 -0.204 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.284 -1.417 -1.825 1.00 0.00 H new ATOM 275 N ILE A 17 6.684 -4.246 -1.544 1.00 0.00 N ATOM 276 CA ILE A 17 6.488 -5.679 -1.347 1.00 0.00 C ATOM 277 C ILE A 17 6.604 -6.063 0.116 1.00 0.00 C ATOM 278 O ILE A 17 7.434 -5.524 0.848 1.00 0.00 O ATOM 279 CB ILE A 17 7.503 -6.513 -2.143 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.891 -5.872 -2.087 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.045 -6.680 -3.584 1.00 0.00 C ATOM 282 CD1 ILE A 17 10.018 -6.841 -2.375 1.00 0.00 C ATOM 0 H ILE A 17 7.444 -3.842 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 17 5.482 -5.893 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 17 7.566 -7.501 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.934 -5.054 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.041 -5.436 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.777 -7.273 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.080 -7.186 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.950 -5.700 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.972 -6.317 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.002 -7.646 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.893 -7.258 -3.374 1.00 0.00 H new ATOM 294 N LYS A 18 5.761 -6.998 0.537 1.00 0.00 N ATOM 295 CA LYS A 18 5.768 -7.452 1.921 1.00 0.00 C ATOM 296 C LYS A 18 5.467 -8.945 2.017 1.00 0.00 C ATOM 297 O LYS A 18 4.433 -9.413 1.543 1.00 0.00 O ATOM 298 CB LYS A 18 4.749 -6.650 2.731 1.00 0.00 C ATOM 299 CG LYS A 18 4.722 -5.178 2.357 1.00 0.00 C ATOM 300 CD LYS A 18 5.946 -4.430 2.872 1.00 0.00 C ATOM 301 CE LYS A 18 6.300 -3.259 1.968 1.00 0.00 C ATOM 302 NZ LYS A 18 7.771 -3.127 1.782 1.00 0.00 N ATOM 0 H LYS A 18 5.068 -7.454 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 18 6.765 -7.289 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.757 -7.076 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.980 -6.746 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.669 -5.081 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.820 -4.718 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.755 -4.067 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.793 -5.113 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.822 -3.392 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.904 -2.338 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.980 -2.235 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.240 -3.128 2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.122 -3.926 1.216 1.00 0.00 H new ATOM 316 N GLU A 19 6.379 -9.689 2.635 1.00 0.00 N ATOM 317 CA GLU A 19 6.210 -11.123 2.795 1.00 0.00 C ATOM 318 C GLU A 19 5.576 -11.460 4.141 1.00 0.00 C ATOM 319 O GLU A 19 6.179 -11.247 5.193 1.00 0.00 O ATOM 320 CB GLU A 19 7.563 -11.832 2.667 1.00 0.00 C ATOM 321 CG GLU A 19 7.851 -12.342 1.265 1.00 0.00 C ATOM 322 CD GLU A 19 9.335 -12.525 1.004 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.956 -13.369 1.679 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.873 -11.814 0.128 1.00 0.00 O ATOM 0 H GLU A 19 7.242 -9.319 3.032 1.00 0.00 H new ATOM 0 HA GLU A 19 5.542 -11.471 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.354 -11.144 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.592 -12.670 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.340 -13.293 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.441 -11.642 0.537 1.00 0.00 H new ATOM 331 N ALA A 20 4.350 -11.977 4.101 1.00 0.00 N ATOM 332 CA ALA A 20 3.630 -12.331 5.319 1.00 0.00 C ATOM 333 C ALA A 20 2.273 -12.949 4.992 1.00 0.00 C ATOM 334 O ALA A 20 1.592 -12.518 4.064 1.00 0.00 O ATOM 335 CB ALA A 20 3.460 -11.120 6.211 1.00 0.00 C ATOM 0 H ALA A 20 3.836 -12.159 3.239 1.00 0.00 H new ATOM 0 HA ALA A 20 4.221 -13.074 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.920 -11.406 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.440 -10.728 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.897 -10.353 5.680 1.00 0.00 H new ATOM 341 N VAL A 21 1.885 -13.958 5.764 1.00 0.00 N ATOM 342 CA VAL A 21 0.608 -14.633 5.557 1.00 0.00 C ATOM 343 C VAL A 21 -0.554 -13.727 5.945 1.00 0.00 C ATOM 344 O VAL A 21 -1.634 -13.787 5.356 1.00 0.00 O ATOM 345 CB VAL A 21 0.524 -15.945 6.365 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.628 -15.657 7.858 1.00 0.00 C ATOM 347 CG2 VAL A 21 -0.763 -16.691 6.045 1.00 0.00 C ATOM 0 H VAL A 21 2.436 -14.327 6.539 1.00 0.00 H new ATOM 0 HA VAL A 21 0.541 -14.872 4.496 1.00 0.00 H new ATOM 0 HB VAL A 21 1.362 -16.581 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.567 -16.592 8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.580 -15.171 8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.189 -15.002 8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.803 -17.613 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.619 -16.065 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.791 -16.930 4.982 1.00 0.00 H new ATOM 357 N ASP A 22 -0.324 -12.877 6.940 1.00 0.00 N ATOM 358 CA ASP A 22 -1.345 -11.951 7.408 1.00 0.00 C ATOM 359 C ASP A 22 -1.423 -10.735 6.492 1.00 0.00 C ATOM 360 O ASP A 22 -0.746 -9.732 6.714 1.00 0.00 O ATOM 361 CB ASP A 22 -1.048 -11.508 8.842 1.00 0.00 C ATOM 362 CG ASP A 22 -2.211 -10.764 9.470 1.00 0.00 C ATOM 363 OD1 ASP A 22 -2.382 -9.566 9.168 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.950 -11.383 10.265 1.00 0.00 O ATOM 0 H ASP A 22 0.564 -12.811 7.438 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.306 -12.465 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.810 -12.383 9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.166 -10.868 8.846 1.00 0.00 H new ATOM 369 N ALA A 23 -2.248 -10.841 5.456 1.00 0.00 N ATOM 370 CA ALA A 23 -2.420 -9.761 4.486 1.00 0.00 C ATOM 371 C ALA A 23 -2.549 -8.403 5.170 1.00 0.00 C ATOM 372 O ALA A 23 -2.095 -7.385 4.642 1.00 0.00 O ATOM 373 CB ALA A 23 -3.636 -10.028 3.612 1.00 0.00 C ATOM 0 H ALA A 23 -2.812 -11.669 5.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.528 -9.733 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.753 -9.216 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.501 -10.968 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.527 -10.091 4.237 1.00 0.00 H new ATOM 379 N GLY A 24 -3.165 -8.393 6.346 1.00 0.00 N ATOM 380 CA GLY A 24 -3.338 -7.154 7.078 1.00 0.00 C ATOM 381 C GLY A 24 -2.015 -6.475 7.381 1.00 0.00 C ATOM 382 O GLY A 24 -1.943 -5.250 7.496 1.00 0.00 O ATOM 0 H GLY A 24 -3.547 -9.220 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.967 -6.477 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.862 -7.356 8.012 1.00 0.00 H new ATOM 386 N ILE A 25 -0.964 -7.275 7.509 1.00 0.00 N ATOM 387 CA ILE A 25 0.364 -6.752 7.801 1.00 0.00 C ATOM 388 C ILE A 25 0.913 -5.965 6.613 1.00 0.00 C ATOM 389 O ILE A 25 1.549 -4.923 6.789 1.00 0.00 O ATOM 390 CB ILE A 25 1.350 -7.885 8.175 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.998 -8.473 9.545 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.787 -7.378 8.175 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.901 -7.436 10.644 1.00 0.00 C ATOM 0 H ILE A 25 -1.006 -8.290 7.415 1.00 0.00 H new ATOM 0 HA ILE A 25 0.265 -6.084 8.656 1.00 0.00 H new ATOM 0 HB ILE A 25 1.262 -8.669 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.047 -9.001 9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.752 -9.211 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.460 -8.193 8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.042 -7.006 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.888 -6.572 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.649 -7.925 11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.858 -6.924 10.746 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.127 -6.711 10.393 1.00 0.00 H new ATOM 405 N ALA A 26 0.674 -6.465 5.404 1.00 0.00 N ATOM 406 CA ALA A 26 1.164 -5.788 4.214 1.00 0.00 C ATOM 407 C ALA A 26 0.470 -4.450 4.015 1.00 0.00 C ATOM 408 O ALA A 26 1.127 -3.442 3.761 1.00 0.00 O ATOM 409 CB ALA A 26 1.006 -6.646 2.974 1.00 0.00 C ATOM 0 H ALA A 26 0.152 -7.323 5.226 1.00 0.00 H new ATOM 0 HA ALA A 26 2.228 -5.609 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.384 -6.105 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.569 -7.571 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.048 -6.880 2.825 1.00 0.00 H new ATOM 415 N GLU A 27 -0.857 -4.430 4.135 1.00 0.00 N ATOM 416 CA GLU A 27 -1.595 -3.181 3.964 1.00 0.00 C ATOM 417 C GLU A 27 -1.039 -2.126 4.909 1.00 0.00 C ATOM 418 O GLU A 27 -0.994 -0.941 4.577 1.00 0.00 O ATOM 419 CB GLU A 27 -3.097 -3.355 4.204 1.00 0.00 C ATOM 420 CG GLU A 27 -3.420 -3.993 5.534 1.00 0.00 C ATOM 421 CD GLU A 27 -4.873 -4.413 5.640 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.330 -5.194 4.779 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.554 -3.962 6.585 1.00 0.00 O ATOM 0 H GLU A 27 -1.432 -5.246 4.345 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.467 -2.863 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.582 -2.380 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.517 -3.965 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.782 -4.865 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.189 -3.291 6.335 1.00 0.00 H new ATOM 430 N LYS A 28 -0.589 -2.571 6.084 1.00 0.00 N ATOM 431 CA LYS A 28 -0.008 -1.664 7.065 1.00 0.00 C ATOM 432 C LYS A 28 1.239 -1.007 6.491 1.00 0.00 C ATOM 433 O LYS A 28 1.426 0.202 6.608 1.00 0.00 O ATOM 434 CB LYS A 28 0.347 -2.409 8.352 1.00 0.00 C ATOM 435 CG LYS A 28 -0.864 -2.819 9.168 1.00 0.00 C ATOM 436 CD LYS A 28 -0.544 -2.870 10.652 1.00 0.00 C ATOM 437 CE LYS A 28 0.545 -3.889 10.950 1.00 0.00 C ATOM 438 NZ LYS A 28 0.294 -4.613 12.226 1.00 0.00 N ATOM 0 H LYS A 28 -0.617 -3.548 6.374 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.746 -0.897 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.923 -3.299 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.990 -1.776 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.677 -2.114 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.214 -3.797 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.225 -1.884 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.444 -3.123 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.605 -4.606 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.510 -3.384 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.059 -5.298 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.262 -3.932 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.614 -5.116 12.167 1.00 0.00 H new ATOM 452 N TYR A 29 2.084 -1.818 5.859 1.00 0.00 N ATOM 453 CA TYR A 29 3.316 -1.314 5.251 1.00 0.00 C ATOM 454 C TYR A 29 3.032 -0.594 3.968 1.00 0.00 C ATOM 455 O TYR A 29 3.667 0.403 3.629 1.00 0.00 O ATOM 456 CB TYR A 29 4.277 -2.447 4.947 1.00 0.00 C ATOM 457 CG TYR A 29 5.316 -2.586 6.032 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.906 -1.442 6.550 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.699 -3.815 6.548 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.837 -1.503 7.539 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.647 -3.892 7.553 1.00 0.00 C ATOM 462 CZ TYR A 29 7.213 -2.732 8.045 1.00 0.00 C ATOM 463 OH TYR A 29 8.155 -2.803 9.045 1.00 0.00 O ATOM 0 H TYR A 29 1.941 -2.822 5.754 1.00 0.00 H new ATOM 0 HA TYR A 29 3.762 -0.628 5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.723 -3.381 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.768 -2.265 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.618 -0.478 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.253 -4.720 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.279 -0.597 7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.942 -4.852 7.950 1.00 0.00 H new ATOM 0 HH TYR A 29 8.304 -3.741 9.288 1.00 0.00 H new ATOM 473 N PHE A 30 2.062 -1.113 3.270 1.00 0.00 N ATOM 474 CA PHE A 30 1.648 -0.553 2.023 1.00 0.00 C ATOM 475 C PHE A 30 1.114 0.835 2.299 1.00 0.00 C ATOM 476 O PHE A 30 1.411 1.788 1.583 1.00 0.00 O ATOM 477 CB PHE A 30 0.594 -1.467 1.404 1.00 0.00 C ATOM 478 CG PHE A 30 1.139 -2.791 0.916 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.489 -2.991 0.673 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.275 -3.821 0.654 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.952 -4.191 0.180 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.726 -5.026 0.149 1.00 0.00 C ATOM 483 CZ PHE A 30 2.070 -5.206 -0.091 1.00 0.00 C ATOM 0 H PHE A 30 1.537 -1.940 3.554 1.00 0.00 H new ATOM 0 HA PHE A 30 2.471 -0.473 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.186 -1.656 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.124 -0.949 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.189 -2.193 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.780 -3.689 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.009 -4.333 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.027 -5.823 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.428 -6.143 -0.491 1.00 0.00 H new ATOM 493 N LYS A 31 0.373 0.941 3.397 1.00 0.00 N ATOM 494 CA LYS A 31 -0.151 2.217 3.834 1.00 0.00 C ATOM 495 C LYS A 31 0.952 2.966 4.574 1.00 0.00 C ATOM 496 O LYS A 31 0.922 4.191 4.678 1.00 0.00 O ATOM 497 CB LYS A 31 -1.388 2.040 4.726 1.00 0.00 C ATOM 498 CG LYS A 31 -1.078 1.555 6.137 1.00 0.00 C ATOM 499 CD LYS A 31 -2.341 1.438 6.976 1.00 0.00 C ATOM 500 CE LYS A 31 -3.107 0.164 6.660 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.773 -0.398 7.867 1.00 0.00 N ATOM 0 H LYS A 31 0.125 0.154 3.997 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.469 2.792 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.916 2.992 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.066 1.331 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.581 0.586 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.384 2.246 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.078 1.452 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.980 2.302 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.856 0.371 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.424 -0.577 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.425 -1.363 8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.558 0.199 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.802 -0.423 7.716 1.00 0.00 H new ATOM 515 N LEU A 32 1.951 2.216 5.070 1.00 0.00 N ATOM 516 CA LEU A 32 3.077 2.834 5.770 1.00 0.00 C ATOM 517 C LEU A 32 3.900 3.656 4.785 1.00 0.00 C ATOM 518 O LEU A 32 4.265 4.802 5.061 1.00 0.00 O ATOM 519 CB LEU A 32 3.954 1.789 6.474 1.00 0.00 C ATOM 520 CG LEU A 32 4.598 2.265 7.777 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.535 2.518 8.836 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.612 1.247 8.271 1.00 0.00 C ATOM 0 H LEU A 32 1.998 1.200 4.999 1.00 0.00 H new ATOM 0 HA LEU A 32 2.680 3.490 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.347 0.909 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.742 1.476 5.789 1.00 0.00 H new ATOM 0 HG LEU A 32 5.118 3.203 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.011 2.856 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.844 3.284 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.987 1.596 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.061 1.601 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.114 0.294 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.390 1.114 7.519 1.00 0.00 H new ATOM 534 N ILE A 33 4.168 3.075 3.616 1.00 0.00 N ATOM 535 CA ILE A 33 4.923 3.765 2.586 1.00 0.00 C ATOM 536 C ILE A 33 4.001 4.607 1.713 1.00 0.00 C ATOM 537 O ILE A 33 4.401 5.655 1.212 1.00 0.00 O ATOM 538 CB ILE A 33 5.709 2.784 1.693 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.569 3.552 0.681 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.758 1.836 0.977 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.248 4.778 1.260 1.00 0.00 C ATOM 0 H ILE A 33 3.872 2.132 3.365 1.00 0.00 H new ATOM 0 HA ILE A 33 5.635 4.412 3.098 1.00 0.00 H new ATOM 0 HB ILE A 33 6.370 2.193 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.330 2.881 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.942 3.857 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.330 1.151 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.189 1.267 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.073 2.410 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.837 5.268 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.493 5.470 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.902 4.479 2.079 1.00 0.00 H new ATOM 553 N ALA A 34 2.763 4.154 1.538 1.00 0.00 N ATOM 554 CA ALA A 34 1.802 4.894 0.729 1.00 0.00 C ATOM 555 C ALA A 34 1.585 6.284 1.314 1.00 0.00 C ATOM 556 O ALA A 34 1.329 7.243 0.587 1.00 0.00 O ATOM 557 CB ALA A 34 0.485 4.139 0.634 1.00 0.00 C ATOM 0 H ALA A 34 2.405 3.288 1.941 1.00 0.00 H new ATOM 0 HA ALA A 34 2.204 4.999 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.218 4.709 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.656 3.165 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.072 4.001 1.633 1.00 0.00 H new ATOM 563 N ASN A 35 1.708 6.384 2.636 1.00 0.00 N ATOM 564 CA ASN A 35 1.546 7.657 3.323 1.00 0.00 C ATOM 565 C ASN A 35 2.872 8.407 3.352 1.00 0.00 C ATOM 566 O ASN A 35 2.904 9.637 3.299 1.00 0.00 O ATOM 567 CB ASN A 35 1.033 7.437 4.749 1.00 0.00 C ATOM 568 CG ASN A 35 -0.334 8.055 4.974 1.00 0.00 C ATOM 569 OD1 ASN A 35 -0.609 9.163 4.515 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.197 7.338 5.683 1.00 0.00 N ATOM 0 H ASN A 35 1.919 5.597 3.250 1.00 0.00 H new ATOM 0 HA ASN A 35 0.813 8.254 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.983 6.367 4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.743 7.864 5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.132 7.701 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.925 6.424 6.044 1.00 0.00 H new ATOM 577 N ALA A 36 3.968 7.655 3.425 1.00 0.00 N ATOM 578 CA ALA A 36 5.300 8.249 3.447 1.00 0.00 C ATOM 579 C ALA A 36 5.694 8.748 2.061 1.00 0.00 C ATOM 580 O ALA A 36 6.312 9.803 1.921 1.00 0.00 O ATOM 581 CB ALA A 36 6.319 7.243 3.960 1.00 0.00 C ATOM 0 H ALA A 36 3.959 6.636 3.470 1.00 0.00 H new ATOM 0 HA ALA A 36 5.283 9.104 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.308 7.700 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.050 6.936 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.330 6.371 3.307 1.00 0.00 H new ATOM 587 N LYS A 37 5.324 7.983 1.036 1.00 0.00 N ATOM 588 CA LYS A 37 5.634 8.354 -0.345 1.00 0.00 C ATOM 589 C LYS A 37 4.475 9.120 -0.979 1.00 0.00 C ATOM 590 O LYS A 37 4.650 10.235 -1.469 1.00 0.00 O ATOM 591 CB LYS A 37 5.966 7.124 -1.203 1.00 0.00 C ATOM 592 CG LYS A 37 7.387 6.624 -1.022 1.00 0.00 C ATOM 593 CD LYS A 37 8.336 7.265 -2.022 1.00 0.00 C ATOM 594 CE LYS A 37 8.052 6.795 -3.440 1.00 0.00 C ATOM 595 NZ LYS A 37 8.168 7.905 -4.425 1.00 0.00 N ATOM 0 H LYS A 37 4.812 7.106 1.134 1.00 0.00 H new ATOM 0 HA LYS A 37 6.513 8.998 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.272 6.320 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.807 7.370 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.724 6.842 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.410 5.541 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.241 8.350 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.365 7.022 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.748 6.000 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.049 6.370 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.967 7.544 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.486 8.653 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.132 8.294 -4.398 1.00 0.00 H new ATOM 609 N THR A 38 3.293 8.509 -0.968 1.00 0.00 N ATOM 610 CA THR A 38 2.103 9.127 -1.547 1.00 0.00 C ATOM 611 C THR A 38 1.273 9.824 -0.472 1.00 0.00 C ATOM 612 O THR A 38 1.725 9.993 0.660 1.00 0.00 O ATOM 613 CB THR A 38 1.259 8.072 -2.267 1.00 0.00 C ATOM 614 OG1 THR A 38 1.621 6.768 -1.850 1.00 0.00 O ATOM 615 CG2 THR A 38 1.396 8.125 -3.773 1.00 0.00 C ATOM 0 H THR A 38 3.134 7.586 -0.564 1.00 0.00 H new ATOM 0 HA THR A 38 2.424 9.878 -2.269 1.00 0.00 H new ATOM 0 HB THR A 38 0.226 8.298 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.117 6.531 -1.043 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.773 7.352 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.077 9.103 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.437 7.958 -4.050 1.00 0.00 H new ATOM 623 N VAL A 39 0.057 10.231 -0.833 1.00 0.00 N ATOM 624 CA VAL A 39 -0.827 10.913 0.108 1.00 0.00 C ATOM 625 C VAL A 39 -2.024 10.042 0.489 1.00 0.00 C ATOM 626 O VAL A 39 -2.178 9.675 1.654 1.00 0.00 O ATOM 627 CB VAL A 39 -1.334 12.267 -0.446 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.455 13.405 0.050 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.389 12.259 -1.969 1.00 0.00 C ATOM 0 H VAL A 39 -0.336 10.101 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.229 11.105 0.999 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.348 12.421 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.824 14.350 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.480 13.436 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.570 13.246 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.749 13.224 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.392 12.074 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.066 11.473 -2.305 1.00 0.00 H new ATOM 639 N GLU A 40 -2.869 9.713 -0.491 1.00 0.00 N ATOM 640 CA GLU A 40 -4.048 8.888 -0.247 1.00 0.00 C ATOM 641 C GLU A 40 -4.935 8.828 -1.488 1.00 0.00 C ATOM 642 O GLU A 40 -5.077 9.812 -2.214 1.00 0.00 O ATOM 643 CB GLU A 40 -4.857 9.429 0.939 1.00 0.00 C ATOM 644 CG GLU A 40 -6.157 8.680 1.185 1.00 0.00 C ATOM 645 CD GLU A 40 -6.323 8.255 2.631 1.00 0.00 C ATOM 646 OE1 GLU A 40 -5.484 7.467 3.118 1.00 0.00 O ATOM 647 OE2 GLU A 40 -7.290 8.709 3.277 1.00 0.00 O ATOM 0 H GLU A 40 -2.756 10.007 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.704 7.881 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.244 9.379 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.082 10.481 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.996 9.313 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.190 7.798 0.545 1.00 0.00 H new ATOM 654 N GLY A 41 -5.533 7.667 -1.715 1.00 0.00 N ATOM 655 CA GLY A 41 -6.411 7.483 -2.861 1.00 0.00 C ATOM 656 C GLY A 41 -7.314 6.274 -2.699 1.00 0.00 C ATOM 657 O GLY A 41 -7.564 5.828 -1.580 1.00 0.00 O ATOM 0 H GLY A 41 -5.427 6.842 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.022 8.376 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.810 7.368 -3.763 1.00 0.00 H new ATOM 661 N VAL A 42 -7.800 5.734 -3.815 1.00 0.00 N ATOM 662 CA VAL A 42 -8.671 4.564 -3.773 1.00 0.00 C ATOM 663 C VAL A 42 -7.853 3.300 -3.558 1.00 0.00 C ATOM 664 O VAL A 42 -7.174 2.821 -4.466 1.00 0.00 O ATOM 665 CB VAL A 42 -9.506 4.420 -5.058 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.469 5.586 -5.197 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.607 4.309 -6.278 1.00 0.00 C ATOM 0 H VAL A 42 -7.607 6.086 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.356 4.706 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.089 3.501 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.052 5.469 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.140 5.608 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.907 6.519 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.220 4.208 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.991 5.205 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.964 3.434 -6.178 1.00 0.00 H new ATOM 677 N TRP A 43 -7.911 2.781 -2.341 1.00 0.00 N ATOM 678 CA TRP A 43 -7.173 1.596 -1.965 1.00 0.00 C ATOM 679 C TRP A 43 -7.897 0.323 -2.397 1.00 0.00 C ATOM 680 O TRP A 43 -9.098 0.171 -2.172 1.00 0.00 O ATOM 681 CB TRP A 43 -6.990 1.621 -0.455 1.00 0.00 C ATOM 682 CG TRP A 43 -5.693 2.242 -0.018 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.444 3.582 0.125 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.468 1.572 0.329 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.151 3.783 0.530 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.533 2.570 0.667 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.060 0.232 0.392 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.234 2.270 1.056 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.765 -0.047 0.780 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.873 0.964 1.107 1.00 0.00 C ATOM 0 H TRP A 43 -8.475 3.175 -1.588 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.206 1.593 -2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.817 2.172 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.042 0.601 -0.074 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.164 4.367 -0.056 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.719 4.691 0.702 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.745 -0.565 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.534 3.052 1.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.439 -1.075 0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.869 0.705 1.409 1.00 0.00 H new ATOM 701 N THR A 44 -7.154 -0.590 -3.018 1.00 0.00 N ATOM 702 CA THR A 44 -7.718 -1.853 -3.483 1.00 0.00 C ATOM 703 C THR A 44 -6.684 -2.973 -3.390 1.00 0.00 C ATOM 704 O THR A 44 -5.486 -2.738 -3.542 1.00 0.00 O ATOM 705 CB THR A 44 -8.211 -1.718 -4.924 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.280 -0.994 -5.709 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.548 -1.015 -5.034 1.00 0.00 C ATOM 0 H THR A 44 -6.159 -0.478 -3.211 1.00 0.00 H new ATOM 0 HA THR A 44 -8.563 -2.104 -2.841 1.00 0.00 H new ATOM 0 HB THR A 44 -8.323 -2.739 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.476 -0.812 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.841 -0.952 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.301 -1.576 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.466 -0.010 -4.619 1.00 0.00 H new ATOM 715 N TYR A 45 -7.155 -4.192 -3.141 1.00 0.00 N ATOM 716 CA TYR A 45 -6.264 -5.346 -3.032 1.00 0.00 C ATOM 717 C TYR A 45 -6.859 -6.566 -3.733 1.00 0.00 C ATOM 718 O TYR A 45 -8.068 -6.793 -3.692 1.00 0.00 O ATOM 719 CB TYR A 45 -5.969 -5.664 -1.558 1.00 0.00 C ATOM 720 CG TYR A 45 -5.403 -7.049 -1.322 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.072 -7.333 -1.597 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.202 -8.071 -0.824 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.552 -8.594 -1.382 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.690 -9.335 -0.605 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.365 -9.591 -0.886 1.00 0.00 C ATOM 726 OH TYR A 45 -3.850 -10.849 -0.671 1.00 0.00 O ATOM 0 H TYR A 45 -8.144 -4.407 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.326 -5.095 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.266 -4.926 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.889 -5.557 -0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.432 -6.554 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.241 -7.874 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.514 -8.798 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.324 -10.118 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.553 -11.434 -0.319 1.00 0.00 H new ATOM 736 N LYS A 46 -5.994 -7.347 -4.374 1.00 0.00 N ATOM 737 CA LYS A 46 -6.422 -8.547 -5.083 1.00 0.00 C ATOM 738 C LYS A 46 -5.878 -9.800 -4.405 1.00 0.00 C ATOM 739 O LYS A 46 -4.714 -9.851 -4.012 1.00 0.00 O ATOM 740 CB LYS A 46 -5.959 -8.503 -6.540 1.00 0.00 C ATOM 741 CG LYS A 46 -6.436 -7.272 -7.293 1.00 0.00 C ATOM 742 CD LYS A 46 -5.470 -6.110 -7.135 1.00 0.00 C ATOM 743 CE LYS A 46 -6.172 -4.773 -7.308 1.00 0.00 C ATOM 744 NZ LYS A 46 -6.815 -4.652 -8.646 1.00 0.00 N ATOM 0 H LYS A 46 -4.991 -7.169 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.511 -8.581 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.870 -8.536 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.318 -9.395 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.547 -7.512 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.420 -6.980 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.006 -6.153 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.669 -6.199 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.927 -4.656 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.452 -3.965 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.165 -3.681 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.119 -4.872 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.611 -5.318 -8.710 1.00 0.00 H new ATOM 758 N ASP A 47 -6.732 -10.809 -4.271 1.00 0.00 N ATOM 759 CA ASP A 47 -6.341 -12.066 -3.638 1.00 0.00 C ATOM 760 C ASP A 47 -5.701 -13.010 -4.652 1.00 0.00 C ATOM 761 O ASP A 47 -4.903 -13.865 -4.291 1.00 0.00 O ATOM 762 CB ASP A 47 -7.555 -12.740 -2.996 1.00 0.00 C ATOM 763 CG ASP A 47 -7.199 -14.042 -2.306 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.262 -14.036 -1.480 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.858 -15.061 -2.591 1.00 0.00 O ATOM 0 H ASP A 47 -7.700 -10.782 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.608 -11.839 -2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.004 -12.060 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.307 -12.932 -3.761 1.00 0.00 H new ATOM 770 N GLU A 48 -6.070 -12.841 -5.919 1.00 0.00 N ATOM 771 CA GLU A 48 -5.544 -13.677 -6.999 1.00 0.00 C ATOM 772 C GLU A 48 -4.044 -13.908 -6.848 1.00 0.00 C ATOM 773 O GLU A 48 -3.559 -15.027 -7.063 1.00 0.00 O ATOM 774 CB GLU A 48 -5.837 -13.030 -8.360 1.00 0.00 C ATOM 775 CG GLU A 48 -5.781 -11.517 -8.351 1.00 0.00 C ATOM 776 CD GLU A 48 -5.396 -10.939 -9.699 1.00 0.00 C ATOM 777 OE1 GLU A 48 -5.620 -11.619 -10.722 1.00 0.00 O ATOM 778 OE2 GLU A 48 -4.870 -9.807 -9.730 1.00 0.00 O ATOM 0 H GLU A 48 -6.734 -12.130 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.042 -14.645 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.120 -13.405 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.826 -13.344 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.753 -11.123 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.062 -11.188 -7.600 1.00 0.00 H new ATOM 785 N ILE A 49 -3.311 -12.864 -6.474 1.00 0.00 N ATOM 786 CA ILE A 49 -1.866 -12.978 -6.295 1.00 0.00 C ATOM 787 C ILE A 49 -1.371 -12.069 -5.175 1.00 0.00 C ATOM 788 O ILE A 49 -0.199 -11.696 -5.135 1.00 0.00 O ATOM 789 CB ILE A 49 -1.104 -12.641 -7.594 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.299 -11.176 -7.974 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.558 -13.558 -8.725 1.00 0.00 C ATOM 792 CD1 ILE A 49 -2.719 -10.833 -8.365 1.00 0.00 C ATOM 0 H ILE A 49 -3.690 -11.935 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.667 -14.016 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.040 -12.804 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.002 -10.549 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.635 -10.933 -8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.013 -13.310 -9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.360 -14.595 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.627 -13.425 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.780 -9.775 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.014 -11.433 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.387 -11.043 -7.530 1.00 0.00 H new ATOM 804 N LYS A 50 -2.271 -11.711 -4.264 1.00 0.00 N ATOM 805 CA LYS A 50 -1.924 -10.843 -3.142 1.00 0.00 C ATOM 806 C LYS A 50 -1.220 -9.577 -3.623 1.00 0.00 C ATOM 807 O LYS A 50 0.008 -9.479 -3.576 1.00 0.00 O ATOM 808 CB LYS A 50 -1.031 -11.591 -2.151 1.00 0.00 C ATOM 809 CG LYS A 50 -1.656 -12.861 -1.613 1.00 0.00 C ATOM 810 CD LYS A 50 -1.215 -14.083 -2.417 1.00 0.00 C ATOM 811 CE LYS A 50 -1.643 -15.373 -1.745 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.107 -16.570 -2.454 1.00 0.00 N ATOM 0 H LYS A 50 -3.247 -12.008 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.849 -10.552 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.088 -11.838 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.795 -10.930 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.377 -12.991 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.742 -12.775 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.642 -14.034 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.131 -14.073 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.296 -15.377 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.731 -15.424 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.421 -17.433 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.458 -16.580 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.068 -16.534 -2.459 1.00 0.00 H new ATOM 826 N THR A 51 -2.003 -8.608 -4.088 1.00 0.00 N ATOM 827 CA THR A 51 -1.447 -7.355 -4.579 1.00 0.00 C ATOM 828 C THR A 51 -2.313 -6.166 -4.179 1.00 0.00 C ATOM 829 O THR A 51 -3.521 -6.154 -4.415 1.00 0.00 O ATOM 830 CB THR A 51 -1.295 -7.401 -6.103 1.00 0.00 C ATOM 831 OG1 THR A 51 -1.987 -8.513 -6.644 1.00 0.00 O ATOM 832 CG2 THR A 51 0.144 -7.492 -6.558 1.00 0.00 C ATOM 0 H THR A 51 -3.020 -8.667 -4.134 1.00 0.00 H new ATOM 0 HA THR A 51 -0.465 -7.227 -4.123 1.00 0.00 H new ATOM 0 HB THR A 51 -1.715 -6.462 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.770 -8.200 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.180 -7.521 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.695 -6.622 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.596 -8.399 -6.156 1.00 0.00 H new ATOM 840 N PHE A 52 -1.677 -5.163 -3.584 1.00 0.00 N ATOM 841 CA PHE A 52 -2.374 -3.957 -3.160 1.00 0.00 C ATOM 842 C PHE A 52 -2.110 -2.827 -4.147 1.00 0.00 C ATOM 843 O PHE A 52 -1.001 -2.679 -4.656 1.00 0.00 O ATOM 844 CB PHE A 52 -1.926 -3.556 -1.755 1.00 0.00 C ATOM 845 CG PHE A 52 -2.908 -3.917 -0.677 1.00 0.00 C ATOM 846 CD1 PHE A 52 -3.911 -3.033 -0.315 1.00 0.00 C ATOM 847 CD2 PHE A 52 -2.825 -5.137 -0.027 1.00 0.00 C ATOM 848 CE1 PHE A 52 -4.814 -3.359 0.679 1.00 0.00 C ATOM 849 CE2 PHE A 52 -3.726 -5.469 0.967 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.722 -4.579 1.321 1.00 0.00 C ATOM 0 H PHE A 52 -0.677 -5.163 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.445 -4.156 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.971 -4.035 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.755 -2.480 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.988 -2.079 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.048 -5.836 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.591 -2.661 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.652 -6.424 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.427 -4.836 2.098 1.00 0.00 H new ATOM 860 N THR A 53 -3.139 -2.048 -4.426 1.00 0.00 N ATOM 861 CA THR A 53 -3.016 -0.939 -5.372 1.00 0.00 C ATOM 862 C THR A 53 -3.852 0.270 -4.955 1.00 0.00 C ATOM 863 O THR A 53 -4.981 0.126 -4.486 1.00 0.00 O ATOM 864 CB THR A 53 -3.430 -1.395 -6.772 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.813 -2.628 -7.100 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.074 -0.401 -7.855 1.00 0.00 C ATOM 0 H THR A 53 -4.067 -2.156 -4.017 1.00 0.00 H new ATOM 0 HA THR A 53 -1.970 -0.632 -5.377 1.00 0.00 H new ATOM 0 HB THR A 53 -4.515 -1.493 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.091 -2.904 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.395 -0.786 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.575 0.547 -7.658 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.995 -0.246 -7.866 1.00 0.00 H new ATOM 874 N VAL A 54 -3.296 1.461 -5.161 1.00 0.00 N ATOM 875 CA VAL A 54 -3.998 2.703 -4.838 1.00 0.00 C ATOM 876 C VAL A 54 -4.094 3.604 -6.070 1.00 0.00 C ATOM 877 O VAL A 54 -3.175 3.649 -6.888 1.00 0.00 O ATOM 878 CB VAL A 54 -3.332 3.469 -3.659 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.647 4.757 -4.126 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.377 3.793 -2.595 1.00 0.00 C ATOM 0 H VAL A 54 -2.362 1.594 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.003 2.427 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.563 2.821 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.195 5.260 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.873 4.514 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.384 5.415 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.904 4.329 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.160 4.414 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.814 2.867 -2.221 1.00 0.00 H new ATOM 890 N THR A 55 -5.207 4.318 -6.197 1.00 0.00 N ATOM 891 CA THR A 55 -5.412 5.214 -7.329 1.00 0.00 C ATOM 892 C THR A 55 -5.873 6.592 -6.861 1.00 0.00 C ATOM 893 O THR A 55 -6.505 6.722 -5.813 1.00 0.00 O ATOM 894 CB THR A 55 -6.436 4.622 -8.304 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.725 3.275 -7.973 1.00 0.00 O ATOM 896 CG2 THR A 55 -5.976 4.651 -9.744 1.00 0.00 C ATOM 0 H THR A 55 -5.980 4.294 -5.532 1.00 0.00 H new ATOM 0 HA THR A 55 -4.458 5.327 -7.843 1.00 0.00 H new ATOM 0 HB THR A 55 -7.321 5.250 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.580 3.016 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.747 4.218 -10.381 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.793 5.682 -10.047 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.056 4.074 -9.844 1.00 0.00 H new ATOM 904 N GLU A 56 -5.552 7.616 -7.643 1.00 0.00 N ATOM 905 CA GLU A 56 -5.935 8.983 -7.306 1.00 0.00 C ATOM 906 C GLU A 56 -7.429 9.200 -7.524 1.00 0.00 C ATOM 907 O GLU A 56 -8.131 8.212 -7.828 1.00 0.00 O ATOM 908 CB GLU A 56 -5.136 9.983 -8.144 1.00 0.00 C ATOM 909 CG GLU A 56 -5.120 9.656 -9.629 1.00 0.00 C ATOM 910 CD GLU A 56 -5.339 10.878 -10.498 1.00 0.00 C ATOM 911 OE1 GLU A 56 -4.344 11.551 -10.840 1.00 0.00 O ATOM 912 OE2 GLU A 56 -6.507 11.165 -10.835 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.885 10.354 -7.389 1.00 0.00 O ATOM 0 H GLU A 56 -5.028 7.527 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.712 9.144 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.556 10.979 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.110 10.015 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.165 9.199 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.894 8.919 -9.843 1.00 0.00 H new