USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot 180:sc= 0.189 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -1.42 K(o=-0.74,f=-4.6!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.687 K(o=-0.74,f=-4.4!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 1.07 K(o=2,f=-6.1!) USER MOD Set 3.2: A 20 SER OG : rot -40:sc= 0.942 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -97:sc= 1.23 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 14 LYS NZ :NH3+ 124:sc= 1 (180deg=-0.248!) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0714) USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.428 K(o=-0.43,f=-1.6) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.895) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 117:sc= 1.59 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 160:sc= 0.406 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 SER OG : rot 87:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0147) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -98:sc= 1.27 USER MOD Single : A 80 HIS : no HD1:sc= -0.82 X(o=-0.82,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.686 -7.986 -11.292 1.00 0.00 N ATOM 66 CA LYS A 5 1.526 -8.415 -10.188 1.00 0.00 C ATOM 67 C LYS A 5 0.609 -8.911 -9.074 1.00 0.00 C ATOM 68 O LYS A 5 0.694 -8.482 -7.931 1.00 0.00 O ATOM 69 CB LYS A 5 2.487 -7.287 -9.781 1.00 0.00 C ATOM 70 CG LYS A 5 3.736 -7.224 -10.663 1.00 0.00 C ATOM 71 CD LYS A 5 4.554 -5.978 -10.301 1.00 0.00 C ATOM 72 CE LYS A 5 5.823 -5.904 -11.161 1.00 0.00 C ATOM 73 NZ LYS A 5 6.900 -5.137 -10.499 1.00 0.00 N ATOM 0 HA LYS A 5 2.178 -9.244 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.963 -6.333 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.788 -7.429 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.339 -8.121 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.451 -7.192 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.951 -5.083 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.823 -6.006 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.175 -6.913 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.585 -5.441 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.738 -5.112 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.574 -4.166 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.147 -5.592 -9.597 1.00 0.00 H new ATOM 87 N TYR A 6 -0.320 -9.798 -9.419 1.00 0.00 N ATOM 88 CA TYR A 6 -1.251 -10.342 -8.450 1.00 0.00 C ATOM 89 C TYR A 6 -0.456 -11.044 -7.340 1.00 0.00 C ATOM 90 O TYR A 6 0.280 -11.986 -7.625 1.00 0.00 O ATOM 91 CB TYR A 6 -2.228 -11.273 -9.169 1.00 0.00 C ATOM 92 CG TYR A 6 -3.274 -10.559 -10.010 1.00 0.00 C ATOM 93 CD1 TYR A 6 -2.953 -10.009 -11.266 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.599 -10.484 -9.551 1.00 0.00 C ATOM 95 CE1 TYR A 6 -3.966 -9.496 -12.097 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.618 -10.026 -10.399 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.300 -9.508 -11.663 1.00 0.00 C ATOM 98 OH TYR A 6 -6.237 -8.786 -12.336 1.00 0.00 O ATOM 0 H TYR A 6 -0.444 -10.153 -10.367 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.843 -9.558 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.662 -11.948 -9.811 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.735 -11.890 -8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.924 -9.981 -11.593 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.835 -10.781 -8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.717 -9.094 -13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.648 -10.072 -10.078 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.377 -7.929 -11.882 1.00 0.00 H new ATOM 108 N TYR A 7 -0.562 -10.565 -6.094 1.00 0.00 N ATOM 109 CA TYR A 7 0.210 -11.062 -4.959 1.00 0.00 C ATOM 110 C TYR A 7 -0.720 -11.589 -3.869 1.00 0.00 C ATOM 111 O TYR A 7 -1.828 -11.082 -3.681 1.00 0.00 O ATOM 112 CB TYR A 7 1.121 -9.958 -4.408 1.00 0.00 C ATOM 113 CG TYR A 7 2.367 -9.685 -5.225 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.340 -10.693 -5.367 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.636 -8.388 -5.699 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.560 -10.415 -6.005 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.869 -8.105 -6.310 1.00 0.00 C ATOM 118 CZ TYR A 7 4.823 -9.120 -6.475 1.00 0.00 C ATOM 119 OH TYR A 7 6.051 -8.816 -6.984 1.00 0.00 O ATOM 0 H TYR A 7 -1.199 -9.808 -5.847 1.00 0.00 H new ATOM 0 HA TYR A 7 0.837 -11.886 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.544 -9.036 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.421 -10.228 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.147 -11.684 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.895 -7.610 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.294 -11.197 -6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.083 -7.104 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 7 6.065 -7.877 -7.266 1.00 0.00 H new ATOM 129 N THR A 8 -0.279 -12.637 -3.169 1.00 0.00 N ATOM 130 CA THR A 8 -1.089 -13.306 -2.163 1.00 0.00 C ATOM 131 C THR A 8 -1.081 -12.514 -0.855 1.00 0.00 C ATOM 132 O THR A 8 -0.143 -11.766 -0.576 1.00 0.00 O ATOM 133 CB THR A 8 -0.605 -14.748 -1.945 1.00 0.00 C ATOM 134 OG1 THR A 8 0.607 -14.769 -1.217 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.414 -15.492 -3.273 1.00 0.00 C ATOM 0 H THR A 8 0.650 -13.041 -3.288 1.00 0.00 H new ATOM 0 HA THR A 8 -2.117 -13.352 -2.521 1.00 0.00 H new ATOM 0 HB THR A 8 -1.380 -15.258 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.895 -15.697 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.071 -16.508 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.362 -15.527 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.327 -14.971 -3.879 1.00 0.00 H new ATOM 143 N LEU A 9 -2.122 -12.705 -0.040 1.00 0.00 N ATOM 144 CA LEU A 9 -2.264 -12.040 1.242 1.00 0.00 C ATOM 145 C LEU A 9 -0.989 -12.253 2.055 1.00 0.00 C ATOM 146 O LEU A 9 -0.341 -11.285 2.441 1.00 0.00 O ATOM 147 CB LEU A 9 -3.494 -12.587 1.984 1.00 0.00 C ATOM 148 CG LEU A 9 -4.867 -12.113 1.466 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.087 -10.613 1.696 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.128 -12.467 -0.002 1.00 0.00 C ATOM 0 H LEU A 9 -2.894 -13.334 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.413 -10.970 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.467 -13.676 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.411 -12.312 3.035 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.593 -12.667 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.067 -10.326 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.035 -10.397 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.315 -10.048 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.112 -12.102 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.367 -12.002 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.090 -13.549 -0.128 1.00 0.00 H new ATOM 162 N GLU A 10 -0.618 -13.517 2.274 1.00 0.00 N ATOM 163 CA GLU A 10 0.560 -13.882 3.047 1.00 0.00 C ATOM 164 C GLU A 10 1.811 -13.165 2.531 1.00 0.00 C ATOM 165 O GLU A 10 2.539 -12.565 3.319 1.00 0.00 O ATOM 166 CB GLU A 10 0.757 -15.407 3.043 1.00 0.00 C ATOM 167 CG GLU A 10 0.864 -15.947 4.474 1.00 0.00 C ATOM 168 CD GLU A 10 1.378 -17.377 4.480 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.516 -17.548 3.985 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.650 -18.259 4.975 1.00 0.00 O ATOM 0 H GLU A 10 -1.135 -14.319 1.914 1.00 0.00 H new ATOM 0 HA GLU A 10 0.400 -13.560 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.078 -15.885 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.659 -15.660 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.533 -15.314 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.113 -15.906 4.956 1.00 0.00 H new ATOM 177 N GLU A 11 2.068 -13.238 1.219 1.00 0.00 N ATOM 178 CA GLU A 11 3.200 -12.562 0.591 1.00 0.00 C ATOM 179 C GLU A 11 3.214 -11.092 1.011 1.00 0.00 C ATOM 180 O GLU A 11 4.177 -10.591 1.590 1.00 0.00 O ATOM 181 CB GLU A 11 3.092 -12.708 -0.934 1.00 0.00 C ATOM 182 CG GLU A 11 4.286 -12.118 -1.694 1.00 0.00 C ATOM 183 CD GLU A 11 5.229 -13.219 -2.152 1.00 0.00 C ATOM 184 OE1 GLU A 11 6.098 -13.597 -1.338 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.014 -13.698 -3.286 1.00 0.00 O ATOM 0 H GLU A 11 1.493 -13.770 0.565 1.00 0.00 H new ATOM 0 HA GLU A 11 4.138 -13.014 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.000 -13.765 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.179 -12.219 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.931 -11.554 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.821 -11.417 -1.053 1.00 0.00 H new ATOM 192 N ILE A 12 2.112 -10.393 0.760 1.00 0.00 N ATOM 193 CA ILE A 12 2.028 -8.974 1.058 1.00 0.00 C ATOM 194 C ILE A 12 2.233 -8.745 2.564 1.00 0.00 C ATOM 195 O ILE A 12 2.918 -7.807 2.966 1.00 0.00 O ATOM 196 CB ILE A 12 0.700 -8.429 0.521 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.582 -8.687 -0.996 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.578 -6.925 0.799 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.885 -8.752 -1.415 1.00 0.00 C ATOM 0 H ILE A 12 1.266 -10.789 0.351 1.00 0.00 H new ATOM 0 HA ILE A 12 2.822 -8.418 0.559 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.108 -8.949 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.089 -7.894 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.081 -9.622 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.372 -6.559 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.622 -6.749 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.398 -6.397 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.949 -8.934 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.381 -9.561 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.373 -7.807 -1.178 1.00 0.00 H new ATOM 211 N GLN A 13 1.693 -9.638 3.399 1.00 0.00 N ATOM 212 CA GLN A 13 1.857 -9.606 4.845 1.00 0.00 C ATOM 213 C GLN A 13 3.294 -9.919 5.290 1.00 0.00 C ATOM 214 O GLN A 13 3.639 -9.642 6.439 1.00 0.00 O ATOM 215 CB GLN A 13 0.832 -10.543 5.511 1.00 0.00 C ATOM 216 CG GLN A 13 -0.014 -9.798 6.549 1.00 0.00 C ATOM 217 CD GLN A 13 -0.999 -10.717 7.264 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.648 -11.554 6.646 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.138 -10.566 8.579 1.00 0.00 N ATOM 0 H GLN A 13 1.119 -10.417 3.076 1.00 0.00 H new ATOM 0 HA GLN A 13 1.665 -8.586 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.181 -10.973 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.352 -11.372 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.644 -9.333 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.562 -8.994 6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.588 -9.863 9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.795 -11.153 9.093 1.00 0.00 H new ATOM 228 N LYS A 14 4.137 -10.485 4.419 1.00 0.00 N ATOM 229 CA LYS A 14 5.547 -10.724 4.701 1.00 0.00 C ATOM 230 C LYS A 14 6.349 -9.436 4.479 1.00 0.00 C ATOM 231 O LYS A 14 7.266 -9.144 5.246 1.00 0.00 O ATOM 232 CB LYS A 14 6.064 -11.921 3.883 1.00 0.00 C ATOM 233 CG LYS A 14 5.756 -13.236 4.614 1.00 0.00 C ATOM 234 CD LYS A 14 5.465 -14.381 3.639 1.00 0.00 C ATOM 235 CE LYS A 14 5.405 -15.724 4.388 1.00 0.00 C ATOM 236 NZ LYS A 14 4.880 -16.825 3.554 1.00 0.00 N ATOM 0 H LYS A 14 3.851 -10.792 3.489 1.00 0.00 H new ATOM 0 HA LYS A 14 5.678 -10.996 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.597 -11.926 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.139 -11.827 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.601 -13.505 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.898 -13.093 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.519 -14.200 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.239 -14.420 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.404 -15.984 4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.777 -15.613 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.570 -17.602 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.985 -17.169 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.715 -16.480 2.587 1.00 0.00 H new ATOM 250 N HIS A 15 5.992 -8.638 3.467 1.00 0.00 N ATOM 251 CA HIS A 15 6.656 -7.371 3.159 1.00 0.00 C ATOM 252 C HIS A 15 6.324 -6.267 4.180 1.00 0.00 C ATOM 253 O HIS A 15 5.683 -5.263 3.850 1.00 0.00 O ATOM 254 CB HIS A 15 6.307 -6.952 1.725 1.00 0.00 C ATOM 255 CG HIS A 15 7.075 -7.709 0.675 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.334 -7.387 0.220 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.658 -8.818 -0.010 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.662 -8.280 -0.727 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.675 -9.172 -0.903 1.00 0.00 N ATOM 0 H HIS A 15 5.224 -8.858 2.832 1.00 0.00 H new ATOM 0 HA HIS A 15 7.733 -7.520 3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.240 -7.101 1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.502 -5.886 1.609 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.912 -6.611 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.714 -9.328 0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.594 -8.281 -1.273 1.00 0.00 H new ATOM 267 N LYS A 16 6.805 -6.440 5.418 1.00 0.00 N ATOM 268 CA LYS A 16 6.720 -5.434 6.473 1.00 0.00 C ATOM 269 C LYS A 16 7.832 -5.590 7.522 1.00 0.00 C ATOM 270 O LYS A 16 7.603 -5.316 8.700 1.00 0.00 O ATOM 271 CB LYS A 16 5.327 -5.470 7.121 1.00 0.00 C ATOM 272 CG LYS A 16 5.008 -6.825 7.765 1.00 0.00 C ATOM 273 CD LYS A 16 3.792 -6.681 8.693 1.00 0.00 C ATOM 274 CE LYS A 16 3.535 -7.952 9.515 1.00 0.00 C ATOM 275 NZ LYS A 16 4.593 -8.195 10.519 1.00 0.00 N ATOM 0 H LYS A 16 7.270 -7.298 5.715 1.00 0.00 H new ATOM 0 HA LYS A 16 6.870 -4.457 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.263 -4.689 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.574 -5.245 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.803 -7.567 6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.869 -7.182 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.950 -5.840 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.908 -6.451 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.572 -7.868 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.470 -8.809 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.303 -8.971 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.477 -8.453 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.744 -7.332 11.080 1.00 0.00 H new ATOM 334 N SER A 20 11.197 -2.541 3.363 1.00 0.00 N ATOM 335 CA SER A 20 10.213 -3.221 2.539 1.00 0.00 C ATOM 336 C SER A 20 8.870 -3.046 3.240 1.00 0.00 C ATOM 337 O SER A 20 8.539 -3.820 4.136 1.00 0.00 O ATOM 338 CB SER A 20 10.593 -4.700 2.342 1.00 0.00 C ATOM 339 OG SER A 20 9.886 -5.238 1.237 1.00 0.00 O ATOM 0 HA SER A 20 10.164 -2.799 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.667 -4.789 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.361 -5.267 3.244 1.00 0.00 H new ATOM 0 HG SER A 20 8.966 -4.899 1.241 1.00 0.00 H new ATOM 345 N THR A 21 8.142 -1.982 2.888 1.00 0.00 N ATOM 346 CA THR A 21 6.870 -1.636 3.486 1.00 0.00 C ATOM 347 C THR A 21 5.854 -1.531 2.354 1.00 0.00 C ATOM 348 O THR A 21 5.824 -0.552 1.604 1.00 0.00 O ATOM 349 CB THR A 21 7.027 -0.350 4.311 1.00 0.00 C ATOM 350 OG1 THR A 21 7.603 -0.673 5.562 1.00 0.00 O ATOM 351 CG2 THR A 21 5.683 0.343 4.536 1.00 0.00 C ATOM 0 H THR A 21 8.436 -1.329 2.162 1.00 0.00 H new ATOM 0 HA THR A 21 6.514 -2.391 4.186 1.00 0.00 H new ATOM 0 HB THR A 21 7.669 0.335 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.257 0.014 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.834 1.249 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.243 0.604 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.012 -0.329 5.072 1.00 0.00 H new ATOM 359 N TRP A 22 5.048 -2.582 2.217 1.00 0.00 N ATOM 360 CA TRP A 22 3.954 -2.633 1.263 1.00 0.00 C ATOM 361 C TRP A 22 2.660 -2.262 1.970 1.00 0.00 C ATOM 362 O TRP A 22 2.602 -2.295 3.196 1.00 0.00 O ATOM 363 CB TRP A 22 3.892 -4.033 0.669 1.00 0.00 C ATOM 364 CG TRP A 22 4.999 -4.344 -0.288 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.155 -3.663 -0.445 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.005 -5.357 -1.326 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.846 -4.156 -1.521 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.203 -5.233 -2.089 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.069 -6.319 -1.738 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.473 -6.053 -3.191 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.339 -7.169 -2.826 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.547 -7.050 -3.536 1.00 0.00 C ATOM 0 H TRP A 22 5.142 -3.431 2.775 1.00 0.00 H new ATOM 0 HA TRP A 22 4.108 -1.922 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.913 -4.761 1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.938 -4.156 0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.486 -2.850 0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.728 -3.772 -1.860 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.129 -6.408 -1.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.378 -5.921 -3.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.615 -7.916 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.763 -7.727 -4.349 1.00 0.00 H new ATOM 383 N VAL A 23 1.624 -1.917 1.208 1.00 0.00 N ATOM 384 CA VAL A 23 0.297 -1.626 1.727 1.00 0.00 C ATOM 385 C VAL A 23 -0.720 -1.918 0.619 1.00 0.00 C ATOM 386 O VAL A 23 -0.435 -1.684 -0.557 1.00 0.00 O ATOM 387 CB VAL A 23 0.203 -0.168 2.227 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.701 0.021 3.666 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.951 0.830 1.335 1.00 0.00 C ATOM 0 H VAL A 23 1.689 -1.831 0.194 1.00 0.00 H new ATOM 0 HA VAL A 23 0.083 -2.257 2.589 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.866 0.040 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.605 1.069 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.105 -0.593 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.747 -0.278 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.844 1.835 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.007 0.564 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.534 0.802 0.328 1.00 0.00 H new ATOM 399 N ILE A 24 -1.891 -2.463 0.971 1.00 0.00 N ATOM 400 CA ILE A 24 -2.946 -2.752 0.007 1.00 0.00 C ATOM 401 C ILE A 24 -4.131 -1.810 0.233 1.00 0.00 C ATOM 402 O ILE A 24 -4.754 -1.806 1.300 1.00 0.00 O ATOM 403 CB ILE A 24 -3.294 -4.242 -0.018 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.883 -4.792 1.274 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.048 -5.061 -0.329 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.375 -5.081 1.124 1.00 0.00 C ATOM 0 H ILE A 24 -2.128 -2.713 1.931 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.592 -2.548 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.061 -4.329 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.360 -5.706 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.728 -4.076 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.304 -6.120 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.654 -4.768 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.294 -4.881 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.766 -5.472 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.900 -4.161 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.525 -5.816 0.334 1.00 0.00 H new ATOM 418 N LEU A 25 -4.367 -0.935 -0.747 1.00 0.00 N ATOM 419 CA LEU A 25 -5.287 0.184 -0.642 1.00 0.00 C ATOM 420 C LEU A 25 -6.400 -0.023 -1.666 1.00 0.00 C ATOM 421 O LEU A 25 -6.190 0.186 -2.861 1.00 0.00 O ATOM 422 CB LEU A 25 -4.557 1.514 -0.855 1.00 0.00 C ATOM 423 CG LEU A 25 -3.256 1.663 -0.050 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.852 3.128 -0.095 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.344 1.326 1.439 1.00 0.00 C ATOM 0 H LEU A 25 -3.908 -0.992 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.719 0.227 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.328 1.622 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.229 2.330 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.561 0.959 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.930 3.269 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.694 3.430 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.642 3.737 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.368 1.468 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.071 1.981 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.656 0.288 1.559 1.00 0.00 H new ATOM 437 N HIS A 26 -7.570 -0.475 -1.210 1.00 0.00 N ATOM 438 CA HIS A 26 -8.623 -1.003 -2.066 1.00 0.00 C ATOM 439 C HIS A 26 -8.117 -2.239 -2.820 1.00 0.00 C ATOM 440 O HIS A 26 -7.072 -2.805 -2.499 1.00 0.00 O ATOM 441 CB HIS A 26 -9.202 0.099 -2.981 1.00 0.00 C ATOM 442 CG HIS A 26 -10.092 1.047 -2.232 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.467 0.991 -2.198 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.689 2.034 -1.374 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.885 1.927 -1.331 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.839 2.573 -0.798 1.00 0.00 N ATOM 0 H HIS A 26 -7.812 -0.483 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.461 -1.336 -1.453 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.384 0.656 -3.439 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.766 -0.363 -3.791 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.059 0.356 -2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.671 2.338 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.919 2.131 -1.096 1.00 0.00 H new ATOM 454 N HIS A 27 -8.881 -2.686 -3.819 1.00 0.00 N ATOM 455 CA HIS A 27 -8.489 -3.758 -4.711 1.00 0.00 C ATOM 456 C HIS A 27 -7.291 -3.312 -5.549 1.00 0.00 C ATOM 457 O HIS A 27 -7.496 -2.962 -6.708 1.00 0.00 O ATOM 458 CB HIS A 27 -9.669 -4.099 -5.635 1.00 0.00 C ATOM 459 CG HIS A 27 -10.783 -4.868 -4.979 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.176 -6.138 -5.331 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.645 -4.414 -4.016 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.253 -6.443 -4.588 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.579 -5.426 -3.776 1.00 0.00 N ATOM 0 H HIS A 27 -9.803 -2.301 -4.027 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.212 -4.638 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.075 -3.172 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.295 -4.678 -6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.609 -3.450 -3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.785 -7.381 -4.638 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.355 -5.397 -3.114 1.00 0.00 H new ATOM 471 N LYS A 28 -6.079 -3.330 -4.983 1.00 0.00 N ATOM 472 CA LYS A 28 -4.778 -3.228 -5.642 1.00 0.00 C ATOM 473 C LYS A 28 -3.673 -3.186 -4.570 1.00 0.00 C ATOM 474 O LYS A 28 -3.976 -2.955 -3.398 1.00 0.00 O ATOM 475 CB LYS A 28 -4.727 -2.094 -6.687 1.00 0.00 C ATOM 476 CG LYS A 28 -5.076 -2.622 -8.103 1.00 0.00 C ATOM 477 CD LYS A 28 -5.892 -1.658 -8.992 1.00 0.00 C ATOM 478 CE LYS A 28 -6.881 -2.414 -9.898 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.177 -2.641 -9.230 1.00 0.00 N ATOM 0 H LYS A 28 -5.978 -3.424 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.599 -4.118 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.426 -1.306 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.732 -1.649 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.148 -2.866 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.635 -3.551 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.439 -0.958 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.213 -1.069 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.040 -1.846 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.449 -3.372 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.548 -3.574 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.047 -2.606 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.851 -1.903 -9.519 1.00 0.00 H new ATOM 493 N VAL A 29 -2.416 -3.465 -4.943 1.00 0.00 N ATOM 494 CA VAL A 29 -1.268 -3.466 -4.033 1.00 0.00 C ATOM 495 C VAL A 29 -0.348 -2.306 -4.383 1.00 0.00 C ATOM 496 O VAL A 29 -0.140 -2.022 -5.563 1.00 0.00 O ATOM 497 CB VAL A 29 -0.488 -4.796 -4.081 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.701 -4.763 -3.102 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.389 -5.988 -3.744 1.00 0.00 C ATOM 0 H VAL A 29 -2.167 -3.700 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.644 -3.352 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.118 -4.917 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.239 -5.710 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.374 -3.949 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.333 -4.606 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.806 -6.908 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.797 -5.864 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.206 -6.042 -4.464 1.00 0.00 H new ATOM 509 N TYR A 30 0.191 -1.645 -3.355 1.00 0.00 N ATOM 510 CA TYR A 30 0.987 -0.441 -3.480 1.00 0.00 C ATOM 511 C TYR A 30 2.253 -0.624 -2.636 1.00 0.00 C ATOM 512 O TYR A 30 2.167 -0.941 -1.447 1.00 0.00 O ATOM 513 CB TYR A 30 0.139 0.758 -3.033 1.00 0.00 C ATOM 514 CG TYR A 30 -1.185 0.894 -3.773 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.268 0.065 -3.435 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.315 1.794 -4.843 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.454 0.116 -4.182 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.529 1.884 -5.553 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.613 1.072 -5.191 1.00 0.00 C ATOM 520 OH TYR A 30 -4.832 1.245 -5.775 1.00 0.00 O ATOM 0 H TYR A 30 0.077 -1.949 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 30 1.293 -0.253 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.061 0.670 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.717 1.671 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.187 -0.613 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.481 2.420 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.249 -0.586 -3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.624 2.578 -6.375 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.772 1.948 -6.455 1.00 0.00 H new ATOM 530 N ASP A 31 3.426 -0.460 -3.252 1.00 0.00 N ATOM 531 CA ASP A 31 4.702 -0.430 -2.544 1.00 0.00 C ATOM 532 C ASP A 31 4.994 1.034 -2.296 1.00 0.00 C ATOM 533 O ASP A 31 4.844 1.845 -3.210 1.00 0.00 O ATOM 534 CB ASP A 31 5.847 -1.068 -3.350 1.00 0.00 C ATOM 535 CG ASP A 31 7.210 -0.823 -2.696 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.673 0.336 -2.725 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.779 -1.771 -2.110 1.00 0.00 O ATOM 0 H ASP A 31 3.515 -0.344 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 31 4.634 -1.010 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.675 -2.141 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.851 -0.660 -4.361 1.00 0.00 H new ATOM 542 N LEU A 32 5.395 1.368 -1.071 1.00 0.00 N ATOM 543 CA LEU A 32 5.849 2.711 -0.767 1.00 0.00 C ATOM 544 C LEU A 32 7.239 2.669 -0.146 1.00 0.00 C ATOM 545 O LEU A 32 7.652 3.624 0.505 1.00 0.00 O ATOM 546 CB LEU A 32 4.841 3.392 0.158 1.00 0.00 C ATOM 547 CG LEU A 32 3.381 3.305 -0.327 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.540 4.049 0.702 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.088 3.841 -1.739 1.00 0.00 C ATOM 0 H LEU A 32 5.413 0.725 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 32 5.918 3.293 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.911 2.941 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.115 4.442 0.266 1.00 0.00 H new ATOM 0 HG LEU A 32 3.138 2.246 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.491 4.018 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.656 3.576 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.870 5.086 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.027 3.723 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.354 4.897 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.675 3.284 -2.469 1.00 0.00 H new ATOM 561 N THR A 33 7.994 1.603 -0.393 1.00 0.00 N ATOM 562 CA THR A 33 9.329 1.400 0.142 1.00 0.00 C ATOM 563 C THR A 33 10.252 2.552 -0.269 1.00 0.00 C ATOM 564 O THR A 33 11.117 2.958 0.503 1.00 0.00 O ATOM 565 CB THR A 33 9.823 0.022 -0.319 1.00 0.00 C ATOM 566 OG1 THR A 33 8.936 -0.974 0.163 1.00 0.00 O ATOM 567 CG2 THR A 33 11.235 -0.282 0.183 1.00 0.00 C ATOM 0 H THR A 33 7.681 0.836 -0.989 1.00 0.00 H new ATOM 0 HA THR A 33 9.323 1.407 1.232 1.00 0.00 H new ATOM 0 HB THR A 33 9.850 0.026 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.517 -1.434 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.542 -1.267 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.926 0.470 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.245 -0.266 1.273 1.00 0.00 H new ATOM 575 N LYS A 34 10.051 3.098 -1.472 1.00 0.00 N ATOM 576 CA LYS A 34 10.770 4.265 -1.978 1.00 0.00 C ATOM 577 C LYS A 34 9.925 5.543 -1.914 1.00 0.00 C ATOM 578 O LYS A 34 10.300 6.546 -2.516 1.00 0.00 O ATOM 579 CB LYS A 34 11.215 3.960 -3.415 1.00 0.00 C ATOM 580 CG LYS A 34 12.421 3.011 -3.415 1.00 0.00 C ATOM 581 CD LYS A 34 13.695 3.827 -3.687 1.00 0.00 C ATOM 582 CE LYS A 34 14.945 2.940 -3.677 1.00 0.00 C ATOM 583 NZ LYS A 34 16.151 3.698 -4.074 1.00 0.00 N ATOM 0 H LYS A 34 9.368 2.731 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 34 11.638 4.454 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.391 3.510 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.475 4.887 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.498 2.499 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.296 2.242 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.609 4.326 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.796 4.608 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.088 2.523 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.802 2.100 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.978 3.068 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.023 4.075 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.301 4.485 -3.410 1.00 0.00 H new ATOM 597 N PHE A 35 8.801 5.519 -1.194 1.00 0.00 N ATOM 598 CA PHE A 35 7.877 6.643 -1.085 1.00 0.00 C ATOM 599 C PHE A 35 7.619 7.032 0.375 1.00 0.00 C ATOM 600 O PHE A 35 7.001 8.059 0.615 1.00 0.00 O ATOM 601 CB PHE A 35 6.591 6.303 -1.843 1.00 0.00 C ATOM 602 CG PHE A 35 5.497 7.356 -1.833 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.724 8.637 -2.366 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.249 7.053 -1.269 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.705 9.606 -2.330 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.219 8.002 -1.264 1.00 0.00 C ATOM 607 CZ PHE A 35 3.451 9.288 -1.777 1.00 0.00 C ATOM 0 H PHE A 35 8.505 4.701 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 35 8.325 7.525 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.852 6.093 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.182 5.383 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.682 8.877 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.081 6.079 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.885 10.594 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.248 7.745 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.668 10.032 -1.747 1.00 0.00 H new ATOM 617 N LEU A 36 8.102 6.256 1.354 1.00 0.00 N ATOM 618 CA LEU A 36 7.887 6.491 2.771 1.00 0.00 C ATOM 619 C LEU A 36 8.103 7.964 3.141 1.00 0.00 C ATOM 620 O LEU A 36 7.162 8.649 3.526 1.00 0.00 O ATOM 621 CB LEU A 36 8.811 5.573 3.588 1.00 0.00 C ATOM 622 CG LEU A 36 8.378 4.102 3.709 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.335 3.337 4.631 1.00 0.00 C ATOM 624 CD2 LEU A 36 6.944 3.962 4.237 1.00 0.00 C ATOM 0 H LEU A 36 8.667 5.427 1.168 1.00 0.00 H new ATOM 0 HA LEU A 36 6.849 6.256 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.804 5.601 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.902 5.986 4.592 1.00 0.00 H new ATOM 0 HG LEU A 36 8.411 3.678 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.015 2.298 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.344 3.377 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.327 3.792 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.683 2.906 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.874 4.418 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.255 4.463 3.557 1.00 0.00 H new ATOM 636 N GLU A 37 9.333 8.466 3.018 1.00 0.00 N ATOM 637 CA GLU A 37 9.628 9.840 3.409 1.00 0.00 C ATOM 638 C GLU A 37 9.077 10.843 2.384 1.00 0.00 C ATOM 639 O GLU A 37 8.619 11.923 2.749 1.00 0.00 O ATOM 640 CB GLU A 37 11.136 9.984 3.656 1.00 0.00 C ATOM 641 CG GLU A 37 11.466 11.233 4.490 1.00 0.00 C ATOM 642 CD GLU A 37 12.515 10.937 5.553 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.692 10.791 5.160 1.00 0.00 O ATOM 644 OE2 GLU A 37 12.116 10.855 6.735 1.00 0.00 O ATOM 0 H GLU A 37 10.132 7.946 2.654 1.00 0.00 H new ATOM 0 HA GLU A 37 9.119 10.076 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.506 9.097 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.656 10.038 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.826 12.025 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.558 11.603 4.967 1.00 0.00 H new ATOM 651 N GLU A 38 9.108 10.475 1.097 1.00 0.00 N ATOM 652 CA GLU A 38 8.587 11.292 -0.001 1.00 0.00 C ATOM 653 C GLU A 38 7.107 11.649 0.214 1.00 0.00 C ATOM 654 O GLU A 38 6.679 12.757 -0.102 1.00 0.00 O ATOM 655 CB GLU A 38 8.795 10.544 -1.331 1.00 0.00 C ATOM 656 CG GLU A 38 9.980 11.059 -2.167 1.00 0.00 C ATOM 657 CD GLU A 38 9.554 11.968 -3.319 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.480 12.595 -3.200 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.312 12.005 -4.313 1.00 0.00 O ATOM 0 H GLU A 38 9.502 9.587 0.787 1.00 0.00 H new ATOM 0 HA GLU A 38 9.135 12.234 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.947 9.486 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.885 10.623 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.665 11.604 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.530 10.208 -2.569 1.00 0.00 H new ATOM 666 N HIS A 39 6.319 10.705 0.736 1.00 0.00 N ATOM 667 CA HIS A 39 4.898 10.859 1.004 1.00 0.00 C ATOM 668 C HIS A 39 4.613 12.187 1.715 1.00 0.00 C ATOM 669 O HIS A 39 5.051 12.359 2.854 1.00 0.00 O ATOM 670 CB HIS A 39 4.411 9.659 1.825 1.00 0.00 C ATOM 671 CG HIS A 39 3.004 9.768 2.354 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.678 9.898 3.680 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.835 9.627 1.656 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.339 9.855 3.774 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.774 9.658 2.568 1.00 0.00 N ATOM 0 H HIS A 39 6.671 9.782 0.990 1.00 0.00 H new ATOM 0 HA HIS A 39 4.350 10.885 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.480 8.764 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.088 9.517 2.667 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.333 10.007 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.747 9.512 0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.788 9.964 4.696 1.00 0.00 H new ATOM 683 N PRO A 40 3.873 13.118 1.079 1.00 0.00 N ATOM 684 CA PRO A 40 3.548 14.411 1.660 1.00 0.00 C ATOM 685 C PRO A 40 2.561 14.198 2.809 1.00 0.00 C ATOM 686 O PRO A 40 1.352 14.355 2.661 1.00 0.00 O ATOM 687 CB PRO A 40 2.986 15.262 0.515 1.00 0.00 C ATOM 688 CG PRO A 40 2.439 14.237 -0.471 1.00 0.00 C ATOM 689 CD PRO A 40 3.293 12.991 -0.250 1.00 0.00 C ATOM 0 HA PRO A 40 4.407 14.927 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.204 15.936 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.760 15.880 0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.385 14.032 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.518 14.594 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.688 12.088 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.073 12.916 -1.008 1.00 0.00 H new ATOM 697 N GLY A 41 3.107 13.792 3.952 1.00 0.00 N ATOM 698 CA GLY A 41 2.359 13.314 5.097 1.00 0.00 C ATOM 699 C GLY A 41 3.278 12.559 6.057 1.00 0.00 C ATOM 700 O GLY A 41 3.076 12.638 7.266 1.00 0.00 O ATOM 0 H GLY A 41 4.115 13.789 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.895 14.155 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.553 12.660 4.765 1.00 0.00 H new ATOM 704 N GLY A 42 4.292 11.845 5.540 1.00 0.00 N ATOM 705 CA GLY A 42 5.291 11.187 6.372 1.00 0.00 C ATOM 706 C GLY A 42 5.524 9.726 6.058 1.00 0.00 C ATOM 707 O GLY A 42 4.703 9.094 5.395 1.00 0.00 O ATOM 0 H GLY A 42 4.434 11.713 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.236 11.720 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.988 11.275 7.415 1.00 0.00 H new ATOM 711 N GLU A 43 6.597 9.189 6.649 1.00 0.00 N ATOM 712 CA GLU A 43 6.897 7.772 6.632 1.00 0.00 C ATOM 713 C GLU A 43 6.048 7.043 7.675 1.00 0.00 C ATOM 714 O GLU A 43 5.368 6.074 7.343 1.00 0.00 O ATOM 715 CB GLU A 43 8.404 7.551 6.887 1.00 0.00 C ATOM 716 CG GLU A 43 8.715 6.095 7.290 1.00 0.00 C ATOM 717 CD GLU A 43 10.173 5.678 7.114 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.818 6.200 6.181 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.590 4.781 7.881 1.00 0.00 O ATOM 0 H GLU A 43 7.285 9.744 7.158 1.00 0.00 H new ATOM 0 HA GLU A 43 6.653 7.363 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.965 7.806 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.741 8.225 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.435 5.955 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.087 5.428 6.699 1.00 0.00 H new ATOM 726 N GLU A 44 6.118 7.472 8.942 1.00 0.00 N ATOM 727 CA GLU A 44 5.600 6.691 10.066 1.00 0.00 C ATOM 728 C GLU A 44 4.148 6.283 9.818 1.00 0.00 C ATOM 729 O GLU A 44 3.807 5.108 9.905 1.00 0.00 O ATOM 730 CB GLU A 44 5.735 7.460 11.387 1.00 0.00 C ATOM 731 CG GLU A 44 5.486 6.530 12.586 1.00 0.00 C ATOM 732 CD GLU A 44 5.291 7.321 13.872 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.287 8.063 13.924 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.156 7.188 14.764 1.00 0.00 O ATOM 0 H GLU A 44 6.533 8.364 9.212 1.00 0.00 H new ATOM 0 HA GLU A 44 6.200 5.785 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.731 7.896 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.024 8.286 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.604 5.918 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.329 5.848 12.701 1.00 0.00 H new ATOM 741 N VAL A 45 3.310 7.252 9.445 1.00 0.00 N ATOM 742 CA VAL A 45 1.915 7.026 9.117 1.00 0.00 C ATOM 743 C VAL A 45 1.742 5.857 8.135 1.00 0.00 C ATOM 744 O VAL A 45 0.813 5.072 8.282 1.00 0.00 O ATOM 745 CB VAL A 45 1.272 8.348 8.654 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.288 9.384 9.786 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.932 8.964 7.414 1.00 0.00 C ATOM 0 H VAL A 45 3.593 8.229 9.363 1.00 0.00 H new ATOM 0 HA VAL A 45 1.375 6.710 10.009 1.00 0.00 H new ATOM 0 HB VAL A 45 0.250 8.087 8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.830 10.310 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.728 9.000 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.318 9.579 10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.422 9.891 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.980 9.174 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.864 8.265 6.580 1.00 0.00 H new ATOM 757 N LEU A 46 2.654 5.681 7.172 1.00 0.00 N ATOM 758 CA LEU A 46 2.641 4.530 6.274 1.00 0.00 C ATOM 759 C LEU A 46 3.200 3.285 6.959 1.00 0.00 C ATOM 760 O LEU A 46 2.639 2.194 6.847 1.00 0.00 O ATOM 761 CB LEU A 46 3.435 4.846 4.993 1.00 0.00 C ATOM 762 CG LEU A 46 2.608 5.564 3.923 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.442 4.679 3.478 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.000 6.866 4.406 1.00 0.00 C ATOM 0 H LEU A 46 3.418 6.333 6.997 1.00 0.00 H new ATOM 0 HA LEU A 46 1.605 4.323 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.295 5.464 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.824 3.916 4.577 1.00 0.00 H new ATOM 0 HG LEU A 46 3.304 5.775 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.860 5.199 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.829 3.747 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.805 4.459 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.428 7.322 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.341 6.668 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.794 7.545 4.716 1.00 0.00 H new ATOM 776 N ARG A 47 4.330 3.442 7.646 1.00 0.00 N ATOM 777 CA ARG A 47 5.058 2.348 8.271 1.00 0.00 C ATOM 778 C ARG A 47 4.314 1.743 9.472 1.00 0.00 C ATOM 779 O ARG A 47 4.653 0.645 9.907 1.00 0.00 O ATOM 780 CB ARG A 47 6.484 2.828 8.597 1.00 0.00 C ATOM 781 CG ARG A 47 7.585 1.882 8.096 1.00 0.00 C ATOM 782 CD ARG A 47 7.732 0.622 8.962 1.00 0.00 C ATOM 783 NE ARG A 47 9.134 0.418 9.357 1.00 0.00 N ATOM 784 CZ ARG A 47 9.601 -0.651 10.022 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.778 -1.653 10.342 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.892 -0.705 10.368 1.00 0.00 N ATOM 0 H ARG A 47 4.770 4.352 7.784 1.00 0.00 H new ATOM 0 HA ARG A 47 5.130 1.516 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.636 3.813 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.581 2.944 9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.364 1.588 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.535 2.416 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.109 0.712 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.375 -0.247 8.410 1.00 0.00 H new ATOM 0 HE ARG A 47 9.804 1.145 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.793 -1.607 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.134 -2.464 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.517 0.064 10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.251 -1.515 10.873 1.00 0.00 H new ATOM 800 N GLU A 48 3.298 2.444 9.977 1.00 0.00 N ATOM 801 CA GLU A 48 2.488 2.096 11.133 1.00 0.00 C ATOM 802 C GLU A 48 1.996 0.651 11.084 1.00 0.00 C ATOM 803 O GLU A 48 2.238 -0.130 12.002 1.00 0.00 O ATOM 804 CB GLU A 48 1.315 3.093 11.221 1.00 0.00 C ATOM 805 CG GLU A 48 1.466 4.072 12.390 1.00 0.00 C ATOM 806 CD GLU A 48 1.214 3.379 13.724 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.020 3.211 14.049 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.213 3.005 14.374 1.00 0.00 O ATOM 0 H GLU A 48 3.004 3.326 9.558 1.00 0.00 H new ATOM 0 HA GLU A 48 3.101 2.166 12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.247 3.653 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.381 2.542 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.469 4.500 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.766 4.899 12.268 1.00 0.00 H new ATOM 815 N GLN A 49 1.286 0.300 10.011 1.00 0.00 N ATOM 816 CA GLN A 49 0.741 -1.033 9.831 1.00 0.00 C ATOM 817 C GLN A 49 1.695 -1.812 8.940 1.00 0.00 C ATOM 818 O GLN A 49 2.330 -2.773 9.375 1.00 0.00 O ATOM 819 CB GLN A 49 -0.667 -0.938 9.217 1.00 0.00 C ATOM 820 CG GLN A 49 -1.716 -0.467 10.237 1.00 0.00 C ATOM 821 CD GLN A 49 -1.966 -1.485 11.351 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.653 -2.665 11.217 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.532 -1.041 12.468 1.00 0.00 N ATOM 0 H GLN A 49 1.076 0.939 9.244 1.00 0.00 H new ATOM 0 HA GLN A 49 0.643 -1.551 10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.648 -0.248 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.957 -1.913 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.388 0.474 10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.654 -0.266 9.719 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.783 -0.056 12.556 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.715 -1.685 13.238 1.00 0.00 H new ATOM 832 N ALA A 50 1.786 -1.365 7.683 1.00 0.00 N ATOM 833 CA ALA A 50 2.462 -2.056 6.597 1.00 0.00 C ATOM 834 C ALA A 50 1.901 -3.471 6.359 1.00 0.00 C ATOM 835 O ALA A 50 1.182 -4.023 7.187 1.00 0.00 O ATOM 836 CB ALA A 50 3.972 -2.050 6.848 1.00 0.00 C ATOM 0 H ALA A 50 1.374 -0.479 7.391 1.00 0.00 H new ATOM 0 HA ALA A 50 2.269 -1.517 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.478 -2.568 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.328 -1.021 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.186 -2.556 7.789 1.00 0.00 H new ATOM 842 N GLY A 51 2.216 -4.046 5.195 1.00 0.00 N ATOM 843 CA GLY A 51 1.821 -5.376 4.749 1.00 0.00 C ATOM 844 C GLY A 51 0.423 -5.775 5.215 1.00 0.00 C ATOM 845 O GLY A 51 0.270 -6.723 5.981 1.00 0.00 O ATOM 0 H GLY A 51 2.787 -3.563 4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.859 -5.413 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.542 -6.105 5.118 1.00 0.00 H new ATOM 849 N GLY A 52 -0.606 -5.055 4.766 1.00 0.00 N ATOM 850 CA GLY A 52 -1.966 -5.301 5.180 1.00 0.00 C ATOM 851 C GLY A 52 -2.865 -4.241 4.567 1.00 0.00 C ATOM 852 O GLY A 52 -2.391 -3.311 3.901 1.00 0.00 O ATOM 0 H GLY A 52 -0.507 -4.286 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.283 -6.294 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.040 -5.275 6.267 1.00 0.00 H new ATOM 856 N ASP A 53 -4.166 -4.419 4.789 1.00 0.00 N ATOM 857 CA ASP A 53 -5.240 -3.534 4.378 1.00 0.00 C ATOM 858 C ASP A 53 -5.161 -2.213 5.128 1.00 0.00 C ATOM 859 O ASP A 53 -6.010 -1.904 5.954 1.00 0.00 O ATOM 860 CB ASP A 53 -6.599 -4.244 4.540 1.00 0.00 C ATOM 861 CG ASP A 53 -6.771 -4.973 5.868 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.983 -5.926 6.106 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.756 -4.682 6.572 1.00 0.00 O ATOM 0 H ASP A 53 -4.513 -5.236 5.291 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.133 -3.292 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.395 -3.507 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.721 -4.960 3.727 1.00 0.00 H new ATOM 868 N ALA A 54 -4.199 -1.369 4.741 1.00 0.00 N ATOM 869 CA ALA A 54 -4.116 -0.011 5.265 1.00 0.00 C ATOM 870 C ALA A 54 -5.190 0.888 4.642 1.00 0.00 C ATOM 871 O ALA A 54 -5.221 2.090 4.906 1.00 0.00 O ATOM 872 CB ALA A 54 -2.719 0.553 5.018 1.00 0.00 C ATOM 0 H ALA A 54 -3.470 -1.606 4.068 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.298 -0.039 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.662 1.568 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.980 -0.073 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.516 0.567 3.947 1.00 0.00 H new ATOM 878 N THR A 55 -6.059 0.313 3.800 1.00 0.00 N ATOM 879 CA THR A 55 -7.204 0.989 3.225 1.00 0.00 C ATOM 880 C THR A 55 -7.968 1.748 4.305 1.00 0.00 C ATOM 881 O THR A 55 -8.277 2.917 4.111 1.00 0.00 O ATOM 882 CB THR A 55 -8.137 -0.015 2.529 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.451 -0.800 1.570 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.257 0.745 1.810 1.00 0.00 C ATOM 0 H THR A 55 -5.973 -0.658 3.500 1.00 0.00 H new ATOM 0 HA THR A 55 -6.842 1.699 2.481 1.00 0.00 H new ATOM 0 HB THR A 55 -8.537 -0.675 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.965 -1.614 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.920 0.035 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.825 1.327 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.824 1.414 1.067 1.00 0.00 H new ATOM 892 N GLU A 56 -8.259 1.087 5.432 1.00 0.00 N ATOM 893 CA GLU A 56 -8.964 1.688 6.556 1.00 0.00 C ATOM 894 C GLU A 56 -8.368 3.060 6.899 1.00 0.00 C ATOM 895 O GLU A 56 -9.070 4.067 6.891 1.00 0.00 O ATOM 896 CB GLU A 56 -9.017 0.688 7.729 1.00 0.00 C ATOM 897 CG GLU A 56 -7.674 0.072 8.176 1.00 0.00 C ATOM 898 CD GLU A 56 -6.918 0.871 9.232 1.00 0.00 C ATOM 899 OE1 GLU A 56 -7.590 1.548 10.036 1.00 0.00 O ATOM 900 OE2 GLU A 56 -5.671 0.793 9.199 1.00 0.00 O ATOM 0 H GLU A 56 -8.006 0.111 5.585 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.001 1.895 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.462 1.193 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.689 -0.125 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.862 -0.929 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.034 -0.041 7.301 1.00 0.00 H new ATOM 907 N ASN A 57 -7.053 3.107 7.098 1.00 0.00 N ATOM 908 CA ASN A 57 -6.327 4.310 7.483 1.00 0.00 C ATOM 909 C ASN A 57 -6.285 5.326 6.334 1.00 0.00 C ATOM 910 O ASN A 57 -6.523 6.520 6.507 1.00 0.00 O ATOM 911 CB ASN A 57 -4.915 3.887 7.899 1.00 0.00 C ATOM 912 CG ASN A 57 -4.308 4.810 8.946 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.428 6.028 8.872 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.619 4.229 9.924 1.00 0.00 N ATOM 0 H ASN A 57 -6.451 2.290 6.993 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.832 4.803 8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.946 2.870 8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.272 3.870 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.171 4.800 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.538 3.213 9.957 1.00 0.00 H new ATOM 921 N PHE A 58 -5.981 4.845 5.128 1.00 0.00 N ATOM 922 CA PHE A 58 -5.952 5.673 3.927 1.00 0.00 C ATOM 923 C PHE A 58 -7.294 6.392 3.714 1.00 0.00 C ATOM 924 O PHE A 58 -7.303 7.594 3.439 1.00 0.00 O ATOM 925 CB PHE A 58 -5.544 4.799 2.734 1.00 0.00 C ATOM 926 CG PHE A 58 -5.775 5.388 1.356 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.808 6.199 0.734 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.969 5.088 0.680 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.049 6.723 -0.549 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.236 5.655 -0.574 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.273 6.468 -1.195 1.00 0.00 C ATOM 0 H PHE A 58 -5.748 3.867 4.959 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.211 6.465 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.485 4.562 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.089 3.857 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.881 6.419 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.686 4.416 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.295 7.321 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.181 5.467 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.472 6.896 -2.166 1.00 0.00 H new ATOM 941 N GLU A 59 -8.407 5.665 3.862 1.00 0.00 N ATOM 942 CA GLU A 59 -9.765 6.170 3.686 1.00 0.00 C ATOM 943 C GLU A 59 -10.209 6.987 4.900 1.00 0.00 C ATOM 944 O GLU A 59 -11.015 7.900 4.747 1.00 0.00 O ATOM 945 CB GLU A 59 -10.761 5.027 3.438 1.00 0.00 C ATOM 946 CG GLU A 59 -10.748 4.500 1.994 1.00 0.00 C ATOM 947 CD GLU A 59 -11.230 5.532 0.975 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.316 6.103 1.219 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.516 5.726 -0.031 1.00 0.00 O ATOM 0 H GLU A 59 -8.382 4.677 4.116 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.755 6.817 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.534 4.205 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.766 5.373 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.736 4.189 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.379 3.614 1.931 1.00 0.00 H new ATOM 956 N ASP A 60 -9.690 6.685 6.095 1.00 0.00 N ATOM 957 CA ASP A 60 -9.927 7.509 7.274 1.00 0.00 C ATOM 958 C ASP A 60 -9.604 8.973 6.962 1.00 0.00 C ATOM 959 O ASP A 60 -10.432 9.863 7.149 1.00 0.00 O ATOM 960 CB ASP A 60 -9.095 7.001 8.453 1.00 0.00 C ATOM 961 CG ASP A 60 -9.457 7.766 9.713 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.553 7.486 10.239 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.644 8.631 10.104 1.00 0.00 O ATOM 0 H ASP A 60 -9.101 5.870 6.266 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.979 7.442 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.272 5.936 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.033 7.121 8.238 1.00 0.00 H new ATOM 968 N VAL A 61 -8.412 9.209 6.402 1.00 0.00 N ATOM 969 CA VAL A 61 -8.047 10.518 5.865 1.00 0.00 C ATOM 970 C VAL A 61 -8.726 10.779 4.516 1.00 0.00 C ATOM 971 O VAL A 61 -8.997 11.927 4.163 1.00 0.00 O ATOM 972 CB VAL A 61 -6.517 10.656 5.826 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.071 11.961 5.148 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.995 10.616 7.268 1.00 0.00 C ATOM 0 H VAL A 61 -7.682 8.503 6.310 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.419 11.300 6.527 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.108 9.834 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.982 12.015 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.440 11.983 4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.474 12.812 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.909 10.712 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.431 11.438 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.274 9.669 7.730 1.00 0.00 H new ATOM 984 N GLY A 62 -8.994 9.731 3.740 1.00 0.00 N ATOM 985 CA GLY A 62 -9.751 9.812 2.503 1.00 0.00 C ATOM 986 C GLY A 62 -8.781 9.799 1.338 1.00 0.00 C ATOM 987 O GLY A 62 -8.733 8.833 0.585 1.00 0.00 O ATOM 0 H GLY A 62 -8.683 8.785 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.443 8.973 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.350 10.722 2.486 1.00 0.00 H new ATOM 991 N HIS A 63 -8.005 10.882 1.220 1.00 0.00 N ATOM 992 CA HIS A 63 -7.144 11.182 0.081 1.00 0.00 C ATOM 993 C HIS A 63 -7.962 11.445 -1.191 1.00 0.00 C ATOM 994 O HIS A 63 -8.960 10.784 -1.458 1.00 0.00 O ATOM 995 CB HIS A 63 -6.131 10.065 -0.197 1.00 0.00 C ATOM 996 CG HIS A 63 -5.115 9.795 0.880 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.310 9.118 2.065 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.772 9.996 0.735 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.097 8.961 2.630 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.121 9.467 1.847 1.00 0.00 N ATOM 0 H HIS A 63 -7.961 11.598 1.945 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.597 12.085 0.352 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.682 9.144 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.597 10.309 -1.116 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.202 8.797 2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.294 10.484 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.927 8.490 3.587 1.00 0.00 H new ATOM 1008 N SER A 64 -7.517 12.396 -2.017 1.00 0.00 N ATOM 1009 CA SER A 64 -7.974 12.603 -3.383 1.00 0.00 C ATOM 1010 C SER A 64 -7.096 13.688 -3.996 1.00 0.00 C ATOM 1011 O SER A 64 -6.132 14.128 -3.375 1.00 0.00 O ATOM 1012 CB SER A 64 -9.469 12.972 -3.442 1.00 0.00 C ATOM 1013 OG SER A 64 -9.937 13.140 -4.781 1.00 0.00 O ATOM 0 H SER A 64 -6.801 13.066 -1.736 1.00 0.00 H new ATOM 0 HA SER A 64 -7.882 11.678 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.052 12.193 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.635 13.893 -2.884 1.00 0.00 H new ATOM 0 HG SER A 64 -10.889 13.371 -4.768 1.00 0.00 H new ATOM 1019 N THR A 65 -7.451 14.090 -5.215 1.00 0.00 N ATOM 1020 CA THR A 65 -6.936 15.258 -5.916 1.00 0.00 C ATOM 1021 C THR A 65 -5.405 15.261 -5.979 1.00 0.00 C ATOM 1022 O THR A 65 -4.777 16.313 -5.936 1.00 0.00 O ATOM 1023 CB THR A 65 -7.536 16.507 -5.253 1.00 0.00 C ATOM 1024 OG1 THR A 65 -8.934 16.309 -5.117 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.299 17.796 -6.051 1.00 0.00 C ATOM 0 H THR A 65 -8.142 13.581 -5.766 1.00 0.00 H new ATOM 0 HA THR A 65 -7.242 15.242 -6.962 1.00 0.00 H new ATOM 0 HB THR A 65 -7.041 16.634 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.336 17.096 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.749 18.638 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.228 17.966 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.752 17.701 -7.038 1.00 0.00 H new ATOM 1033 N ASP A 66 -4.847 14.057 -6.098 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.430 13.735 -6.173 1.00 0.00 C ATOM 1035 C ASP A 66 -3.357 12.220 -6.079 1.00 0.00 C ATOM 1036 O ASP A 66 -3.214 11.520 -7.080 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.630 14.359 -5.006 1.00 0.00 C ATOM 1038 CG ASP A 66 -1.744 15.543 -5.375 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.571 15.808 -6.583 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -1.190 16.118 -4.414 1.00 0.00 O ATOM 0 H ASP A 66 -5.424 13.217 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.997 14.129 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.333 14.680 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.005 13.584 -4.562 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.533 11.708 -4.857 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.341 10.300 -4.537 1.00 0.00 C ATOM 1047 C ALA A 67 -4.151 9.438 -5.522 1.00 0.00 C ATOM 1048 O ALA A 67 -3.686 8.399 -5.962 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.807 10.017 -3.113 1.00 0.00 C ATOM 0 H ALA A 67 -3.817 12.272 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.282 10.057 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.659 8.962 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.231 10.624 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.865 10.263 -3.021 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.362 9.870 -5.907 1.00 0.00 N ATOM 1056 CA ARG A 68 -6.166 9.196 -6.924 1.00 0.00 C ATOM 1057 C ARG A 68 -5.350 8.683 -8.120 1.00 0.00 C ATOM 1058 O ARG A 68 -5.542 7.535 -8.530 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.310 10.115 -7.395 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.554 9.964 -6.506 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.847 10.344 -7.233 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.017 11.799 -7.390 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.717 12.388 -8.379 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.348 11.644 -9.297 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.800 13.722 -8.445 1.00 0.00 N ATOM 0 H ARG A 68 -5.808 10.700 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.582 8.308 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.975 11.152 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.568 9.878 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.626 8.933 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.442 10.590 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.854 9.875 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.698 9.942 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.572 12.404 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.300 10.626 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.877 12.095 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.332 14.297 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.331 14.163 -9.196 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.464 9.510 -8.682 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.588 9.083 -9.768 1.00 0.00 C ATOM 1081 C GLU A 69 -2.232 8.615 -9.211 1.00 0.00 C ATOM 1082 O GLU A 69 -1.672 7.616 -9.669 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.546 10.153 -10.868 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.780 11.430 -10.512 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.419 11.454 -11.192 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.415 11.684 -12.420 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.426 11.201 -10.480 1.00 0.00 O ATOM 0 H GLU A 69 -4.337 10.482 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.985 8.200 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.096 9.716 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.569 10.424 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.358 12.302 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.652 11.493 -9.431 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.745 9.270 -8.153 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.442 9.004 -7.577 1.00 0.00 C ATOM 1096 C LEU A 70 -0.334 7.555 -7.086 1.00 0.00 C ATOM 1097 O LEU A 70 0.629 6.857 -7.380 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.207 9.989 -6.430 1.00 0.00 C ATOM 1099 CG LEU A 70 1.212 10.557 -6.421 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.303 11.742 -7.391 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.544 11.032 -5.007 1.00 0.00 C ATOM 0 H LEU A 70 -2.259 10.008 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 70 0.325 9.137 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.921 10.809 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.399 9.488 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 70 1.918 9.787 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.316 12.143 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.055 11.407 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.602 12.518 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.555 11.440 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.836 11.804 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.479 10.191 -4.316 1.00 0.00 H new ATOM 1113 N SER A 71 -1.331 7.081 -6.338 1.00 0.00 N ATOM 1114 CA SER A 71 -1.447 5.704 -5.910 1.00 0.00 C ATOM 1115 C SER A 71 -1.265 4.770 -7.101 1.00 0.00 C ATOM 1116 O SER A 71 -0.483 3.829 -7.025 1.00 0.00 O ATOM 1117 CB SER A 71 -2.800 5.502 -5.216 1.00 0.00 C ATOM 1118 OG SER A 71 -2.953 6.462 -4.187 1.00 0.00 O ATOM 0 H SER A 71 -2.097 7.668 -6.009 1.00 0.00 H new ATOM 0 HA SER A 71 -0.662 5.465 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.609 5.598 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.861 4.496 -4.801 1.00 0.00 H new ATOM 0 HG SER A 71 -3.337 7.283 -4.560 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.938 5.033 -8.225 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.740 4.224 -9.415 1.00 0.00 C ATOM 1126 C LYS A 72 -0.254 4.209 -9.809 1.00 0.00 C ATOM 1127 O LYS A 72 0.302 3.148 -10.070 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.645 4.695 -10.564 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.770 3.697 -10.879 1.00 0.00 C ATOM 1130 CD LYS A 72 -5.000 3.909 -9.975 1.00 0.00 C ATOM 1131 CE LYS A 72 -6.198 4.421 -10.792 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.750 3.380 -11.686 1.00 0.00 N ATOM 0 H LYS A 72 -2.614 5.790 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.030 3.197 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.082 5.659 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.040 4.849 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.065 3.801 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.398 2.680 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.263 2.971 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.759 4.623 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.978 4.765 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.890 5.281 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.651 3.710 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.076 3.190 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.912 2.507 -11.144 1.00 0.00 H new ATOM 1146 N THR A 73 0.415 5.361 -9.789 1.00 0.00 N ATOM 1147 CA THR A 73 1.858 5.437 -9.988 1.00 0.00 C ATOM 1148 C THR A 73 2.666 4.547 -9.019 1.00 0.00 C ATOM 1149 O THR A 73 3.769 4.135 -9.372 1.00 0.00 O ATOM 1150 CB THR A 73 2.287 6.920 -10.011 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.084 7.430 -11.312 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.734 7.169 -9.593 1.00 0.00 C ATOM 0 H THR A 73 -0.029 6.266 -9.634 1.00 0.00 H new ATOM 0 HA THR A 73 2.102 5.007 -10.959 1.00 0.00 H new ATOM 0 HB THR A 73 1.671 7.431 -9.271 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.351 8.372 -11.339 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.947 8.237 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.885 6.812 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.404 6.636 -10.267 1.00 0.00 H new ATOM 1160 N TYR A 74 2.146 4.210 -7.831 1.00 0.00 N ATOM 1161 CA TYR A 74 2.821 3.340 -6.864 1.00 0.00 C ATOM 1162 C TYR A 74 2.298 1.904 -6.906 1.00 0.00 C ATOM 1163 O TYR A 74 2.680 1.071 -6.080 1.00 0.00 O ATOM 1164 CB TYR A 74 2.649 3.909 -5.455 1.00 0.00 C ATOM 1165 CG TYR A 74 3.447 5.171 -5.224 1.00 0.00 C ATOM 1166 CD1 TYR A 74 4.852 5.117 -5.239 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.796 6.414 -5.158 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.596 6.306 -5.306 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.545 7.602 -5.146 1.00 0.00 C ATOM 1170 CZ TYR A 74 4.943 7.547 -5.268 1.00 0.00 C ATOM 1171 OH TYR A 74 5.668 8.695 -5.380 1.00 0.00 O ATOM 0 H TYR A 74 1.234 4.539 -7.513 1.00 0.00 H new ATOM 0 HA TYR A 74 3.877 3.309 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.593 4.117 -5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.951 3.157 -4.726 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.358 4.163 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.718 6.456 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.672 6.265 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.047 8.555 -5.043 1.00 0.00 H new ATOM 0 HH TYR A 74 5.834 9.065 -4.488 1.00 0.00 H new ATOM 1181 N ILE A 75 1.403 1.609 -7.843 1.00 0.00 N ATOM 1182 CA ILE A 75 0.776 0.308 -7.923 1.00 0.00 C ATOM 1183 C ILE A 75 1.805 -0.743 -8.322 1.00 0.00 C ATOM 1184 O ILE A 75 2.612 -0.521 -9.225 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.422 0.379 -8.873 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.511 -0.588 -8.408 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.062 0.128 -10.349 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.799 -0.289 -9.164 1.00 0.00 C ATOM 0 H ILE A 75 1.098 2.265 -8.561 1.00 0.00 H new ATOM 0 HA ILE A 75 0.392 0.006 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.792 1.403 -8.832 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.201 -1.618 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.672 -0.485 -7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.962 0.195 -10.960 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.658 0.877 -10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.374 -0.865 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.580 -0.975 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.109 0.736 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.630 -0.414 -10.234 1.00 0.00 H new ATOM 1200 N ILE A 76 1.780 -1.893 -7.654 1.00 0.00 N ATOM 1201 CA ILE A 76 2.694 -2.989 -7.937 1.00 0.00 C ATOM 1202 C ILE A 76 1.969 -4.327 -7.851 1.00 0.00 C ATOM 1203 O ILE A 76 2.586 -5.314 -7.467 1.00 0.00 O ATOM 1204 CB ILE A 76 3.914 -2.937 -6.995 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.497 -2.954 -5.515 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.793 -1.709 -7.274 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.063 -4.150 -4.751 1.00 0.00 C ATOM 0 H ILE A 76 1.122 -2.089 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 76 3.064 -2.882 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 76 4.497 -3.835 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.832 -2.033 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.409 -2.969 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.642 -1.707 -6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.154 -1.746 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.207 -0.801 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.734 -4.107 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.707 -5.074 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.152 -4.123 -4.788 1.00 0.00 H new ATOM 1219 N GLY A 77 0.686 -4.387 -8.231 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.067 -5.633 -8.205 1.00 0.00 C ATOM 1221 C GLY A 77 -1.504 -5.436 -7.748 1.00 0.00 C ATOM 1222 O GLY A 77 -1.970 -4.301 -7.618 1.00 0.00 O ATOM 0 H GLY A 77 0.153 -3.582 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.063 -6.077 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.429 -6.340 -7.539 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.182 -6.548 -7.448 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.423 -6.552 -6.695 1.00 0.00 C ATOM 1228 C GLU A 78 -3.529 -7.819 -5.854 1.00 0.00 C ATOM 1229 O GLU A 78 -2.661 -8.686 -5.937 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.646 -6.280 -7.592 1.00 0.00 C ATOM 1231 CG GLU A 78 -5.048 -7.400 -8.553 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.452 -7.164 -9.116 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -7.378 -6.997 -8.292 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.591 -7.125 -10.359 1.00 0.00 O ATOM 0 H GLU A 78 -1.874 -7.479 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.412 -5.718 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.498 -6.059 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.447 -5.382 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.330 -7.457 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.017 -8.358 -8.034 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.556 -7.899 -5.005 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.789 -9.082 -4.195 1.00 0.00 C ATOM 1243 C LEU A 79 -5.069 -10.272 -5.114 1.00 0.00 C ATOM 1244 O LEU A 79 -5.919 -10.186 -5.997 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.960 -8.852 -3.226 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.648 -7.935 -2.028 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.881 -7.903 -1.113 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.434 -8.438 -1.239 1.00 0.00 C ATOM 0 H LEU A 79 -5.237 -7.153 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.902 -9.292 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.793 -8.424 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.292 -9.818 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.412 -6.937 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.682 -7.259 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.736 -7.516 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.102 -8.912 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.242 -7.768 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.635 -9.441 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.561 -8.463 -1.891 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.337 -11.372 -4.914 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.468 -12.586 -5.708 1.00 0.00 C ATOM 1262 C HIS A 80 -5.937 -13.025 -5.803 1.00 0.00 C ATOM 1263 O HIS A 80 -6.651 -12.977 -4.798 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.591 -13.678 -5.082 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.119 -14.726 -6.049 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.526 -16.039 -6.096 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.162 -14.553 -7.012 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.844 -16.635 -7.089 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.003 -15.769 -7.677 1.00 0.00 N ATOM 0 H HIS A 80 -3.628 -11.440 -4.184 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.131 -12.398 -6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.722 -13.209 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.152 -14.164 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.626 -13.639 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.957 -17.670 -7.375 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.373 -15.962 -8.456 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.410 -13.468 -6.982 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.817 -13.764 -7.186 1.00 0.00 C ATOM 1279 C PRO A 81 -8.285 -14.948 -6.336 1.00 0.00 C ATOM 1280 O PRO A 81 -9.485 -15.097 -6.114 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.996 -13.983 -8.690 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.608 -14.387 -9.182 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.644 -13.748 -8.187 1.00 0.00 C ATOM 0 HA PRO A 81 -8.449 -12.940 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.732 -14.761 -8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.345 -13.077 -9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.495 -15.471 -9.203 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.427 -14.028 -10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.812 -14.418 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.217 -12.832 -8.596 1.00 0.00 H new