USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 55 ASN : amide:sc= -0.246 K(o=-0.13,f=-7.1!) USER MOD Set 1.2: A 58 SER OG : rot 86:sc= 0.114 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot -2:sc= 1.04 USER MOD Set 3.1: A 10 THR OG1 : rot -130:sc= -0.262 USER MOD Set 3.2: A 56 GLN : amide:sc= -0.0284 K(o=-0.29,f=-1.6) USER MOD Single : A 9 HIS : no HD1:sc= -0.492 K(o=-0.49,f=0.095) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 41:sc= -0.512 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -74:sc= 0.0988 USER MOD Single : A 28 ASN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 34 SER OG : rot 69:sc= -4.13! USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 37 CYS SG : rot 140:sc= -0.153 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 15:sc= 0.716 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.143 USER MOD Single : A 63 GLN : amide:sc= 0.215 K(o=0.21,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 155:sc= -0.922 (180deg=-2.02!) USER MOD Single : A 68 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.13) USER MOD Single : A 74 ASN : amide:sc= 0.815 K(o=0.81,f=-1.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.658 14.158 0.313 1.00 0.00 N ATOM 78 CA HIS A 9 7.745 13.033 0.141 1.00 0.00 C ATOM 79 C HIS A 9 6.820 12.895 1.347 1.00 0.00 C ATOM 80 O HIS A 9 7.113 13.404 2.430 1.00 0.00 O ATOM 81 CB HIS A 9 8.530 11.738 -0.065 1.00 0.00 C ATOM 82 CG HIS A 9 8.830 11.442 -1.502 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.900 11.991 -2.177 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.193 10.647 -2.394 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.908 11.548 -3.421 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.882 10.730 -3.579 1.00 0.00 N ATOM 0 HA HIS A 9 7.136 13.223 -0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.467 11.799 0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.964 10.908 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.308 10.057 -2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.630 11.810 -4.180 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.641 10.240 -4.441 1.00 0.00 H new ATOM 94 N THR A 10 5.702 12.202 1.153 1.00 0.00 N ATOM 95 CA THR A 10 4.734 11.999 2.224 1.00 0.00 C ATOM 96 C THR A 10 4.399 10.521 2.387 1.00 0.00 C ATOM 97 O THR A 10 3.733 9.927 1.538 1.00 0.00 O ATOM 98 CB THR A 10 3.434 12.782 1.962 1.00 0.00 C ATOM 99 OG1 THR A 10 3.743 14.110 1.523 1.00 0.00 O ATOM 100 CG2 THR A 10 2.578 12.844 3.218 1.00 0.00 C ATOM 0 H THR A 10 5.445 11.772 0.265 1.00 0.00 H new ATOM 0 HA THR A 10 5.193 12.369 3.141 1.00 0.00 H new ATOM 0 HB THR A 10 2.873 12.264 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.231 14.757 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.665 13.402 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.321 11.833 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.134 13.342 4.013 1.00 0.00 H new ATOM 108 N LEU A 11 4.862 9.932 3.484 1.00 0.00 N ATOM 109 CA LEU A 11 4.610 8.521 3.760 1.00 0.00 C ATOM 110 C LEU A 11 3.392 8.352 4.662 1.00 0.00 C ATOM 111 O LEU A 11 3.104 9.206 5.501 1.00 0.00 O ATOM 112 CB LEU A 11 5.836 7.883 4.415 1.00 0.00 C ATOM 113 CG LEU A 11 7.172 8.114 3.708 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.313 8.132 4.714 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.408 7.046 2.650 1.00 0.00 C ATOM 0 H LEU A 11 5.414 10.409 4.197 1.00 0.00 H new ATOM 0 HA LEU A 11 4.410 8.021 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.917 8.262 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.667 6.809 4.487 1.00 0.00 H new ATOM 0 HG LEU A 11 7.136 9.085 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.256 8.298 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.151 8.934 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.351 7.177 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.363 7.227 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.423 6.064 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.607 7.082 1.912 1.00 0.00 H new ATOM 127 N LEU A 12 2.681 7.244 4.485 1.00 0.00 N ATOM 128 CA LEU A 12 1.494 6.961 5.284 1.00 0.00 C ATOM 129 C LEU A 12 1.699 5.716 6.142 1.00 0.00 C ATOM 130 O LEU A 12 2.552 4.879 5.845 1.00 0.00 O ATOM 131 CB LEU A 12 0.277 6.773 4.377 1.00 0.00 C ATOM 132 CG LEU A 12 -0.362 8.054 3.837 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.611 7.729 3.032 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.692 9.007 4.977 1.00 0.00 C ATOM 0 H LEU A 12 2.906 6.527 3.795 1.00 0.00 H new ATOM 0 HA LEU A 12 1.320 7.811 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.572 6.153 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.481 6.218 4.930 1.00 0.00 H new ATOM 0 HG LEU A 12 0.353 8.544 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.052 8.652 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.346 7.085 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.331 7.216 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.146 9.913 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.389 8.526 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.222 9.266 5.511 1.00 0.00 H new ATOM 146 N TYR A 13 0.911 5.601 7.205 1.00 0.00 N ATOM 147 CA TYR A 13 1.007 4.459 8.106 1.00 0.00 C ATOM 148 C TYR A 13 -0.349 3.777 8.268 1.00 0.00 C ATOM 149 O TYR A 13 -1.277 4.344 8.845 1.00 0.00 O ATOM 150 CB TYR A 13 1.533 4.903 9.472 1.00 0.00 C ATOM 151 CG TYR A 13 2.890 5.567 9.411 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.824 5.197 8.452 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.237 6.565 10.313 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.065 5.801 8.393 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.476 7.175 10.261 1.00 0.00 C ATOM 156 CZ TYR A 13 5.386 6.789 9.300 1.00 0.00 C ATOM 157 OH TYR A 13 6.621 7.394 9.244 1.00 0.00 O ATOM 0 H TYR A 13 0.199 6.284 7.464 1.00 0.00 H new ATOM 0 HA TYR A 13 1.704 3.743 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.819 5.594 9.920 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.591 4.035 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.576 4.424 7.740 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.527 6.869 11.067 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.780 5.501 7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.730 7.950 10.969 1.00 0.00 H new ATOM 0 HH TYR A 13 6.687 8.069 9.952 1.00 0.00 H new ATOM 167 N VAL A 14 -0.455 2.556 7.754 1.00 0.00 N ATOM 168 CA VAL A 14 -1.695 1.795 7.842 1.00 0.00 C ATOM 169 C VAL A 14 -1.701 0.892 9.071 1.00 0.00 C ATOM 170 O VAL A 14 -0.656 0.397 9.494 1.00 0.00 O ATOM 171 CB VAL A 14 -1.915 0.933 6.585 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.291 0.285 6.615 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.739 1.771 5.327 1.00 0.00 C ATOM 0 H VAL A 14 0.303 2.073 7.272 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.505 2.520 7.923 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.167 0.140 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.428 -0.320 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.375 -0.349 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.057 1.059 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.898 1.146 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.463 2.586 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.730 2.182 5.302 1.00 0.00 H new ATOM 183 N TYR A 15 -2.883 0.683 9.639 1.00 0.00 N ATOM 184 CA TYR A 15 -3.024 -0.159 10.821 1.00 0.00 C ATOM 185 C TYR A 15 -4.288 -1.009 10.736 1.00 0.00 C ATOM 186 O TYR A 15 -5.089 -0.860 9.815 1.00 0.00 O ATOM 187 CB TYR A 15 -3.060 0.702 12.085 1.00 0.00 C ATOM 188 CG TYR A 15 -1.877 1.635 12.215 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.838 2.840 11.525 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.798 1.311 13.030 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.759 3.695 11.641 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.284 2.161 13.153 1.00 0.00 C ATOM 193 CZ TYR A 15 0.300 3.351 12.456 1.00 0.00 C ATOM 194 OH TYR A 15 1.376 4.200 12.575 1.00 0.00 O ATOM 0 H TYR A 15 -3.757 1.085 9.300 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.162 -0.824 10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.978 1.290 12.088 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.096 0.050 12.958 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.665 3.113 10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.806 0.379 13.576 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.744 4.628 11.097 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.113 1.895 13.792 1.00 0.00 H new ATOM 0 HH TYR A 15 1.058 5.125 12.633 1.00 0.00 H new ATOM 204 N ASN A 16 -4.459 -1.902 11.706 1.00 0.00 N ATOM 205 CA ASN A 16 -5.625 -2.777 11.743 1.00 0.00 C ATOM 206 C ASN A 16 -5.703 -3.631 10.481 1.00 0.00 C ATOM 207 O ASN A 16 -6.728 -3.656 9.798 1.00 0.00 O ATOM 208 CB ASN A 16 -6.904 -1.952 11.894 1.00 0.00 C ATOM 209 CG ASN A 16 -7.216 -1.630 13.343 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.365 -1.125 14.075 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.441 -1.921 13.763 1.00 0.00 N ATOM 0 H ASN A 16 -3.805 -2.038 12.477 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.525 -3.439 12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.803 -1.024 11.332 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.740 -2.499 11.458 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.709 -1.726 14.728 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.114 -2.339 13.121 1.00 0.00 H new ATOM 218 N LEU A 17 -4.615 -4.330 10.177 1.00 0.00 N ATOM 219 CA LEU A 17 -4.561 -5.186 8.997 1.00 0.00 C ATOM 220 C LEU A 17 -4.812 -6.644 9.370 1.00 0.00 C ATOM 221 O LEU A 17 -4.504 -7.089 10.476 1.00 0.00 O ATOM 222 CB LEU A 17 -3.202 -5.051 8.307 1.00 0.00 C ATOM 223 CG LEU A 17 -2.927 -3.713 7.621 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.433 -3.437 7.568 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.524 -3.698 6.222 1.00 0.00 C ATOM 0 H LEU A 17 -3.759 -4.321 10.731 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.344 -4.866 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.422 -5.223 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.115 -5.843 7.563 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.401 -2.924 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.257 -2.480 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.033 -3.403 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.936 -4.229 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.318 -2.738 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.080 -4.497 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.602 -3.848 6.285 1.00 0.00 H new ATOM 237 N PRO A 18 -5.383 -7.406 8.426 1.00 0.00 N ATOM 238 CA PRO A 18 -5.685 -8.826 8.631 1.00 0.00 C ATOM 239 C PRO A 18 -4.426 -9.683 8.701 1.00 0.00 C ATOM 240 O PRO A 18 -3.852 -10.044 7.674 1.00 0.00 O ATOM 241 CB PRO A 18 -6.515 -9.194 7.398 1.00 0.00 C ATOM 242 CG PRO A 18 -6.096 -8.217 6.355 1.00 0.00 C ATOM 243 CD PRO A 18 -5.776 -6.942 7.085 1.00 0.00 C ATOM 0 HA PRO A 18 -6.200 -9.001 9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.321 -10.219 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.583 -9.121 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.227 -8.581 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.891 -8.060 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.971 -6.392 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.638 -6.276 7.127 1.00 0.00 H new ATOM 251 N ALA A 19 -4.002 -10.006 9.918 1.00 0.00 N ATOM 252 CA ALA A 19 -2.812 -10.823 10.121 1.00 0.00 C ATOM 253 C ALA A 19 -2.979 -12.202 9.490 1.00 0.00 C ATOM 254 O ALA A 19 -2.062 -12.717 8.852 1.00 0.00 O ATOM 255 CB ALA A 19 -2.508 -10.953 11.606 1.00 0.00 C ATOM 0 H ALA A 19 -4.465 -9.714 10.779 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.973 -10.328 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.617 -11.566 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.337 -9.964 12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.352 -11.423 12.110 1.00 0.00 H new ATOM 261 N ASN A 20 -4.154 -12.794 9.675 1.00 0.00 N ATOM 262 CA ASN A 20 -4.440 -14.114 9.125 1.00 0.00 C ATOM 263 C ASN A 20 -4.215 -14.135 7.616 1.00 0.00 C ATOM 264 O ASN A 20 -3.584 -15.047 7.084 1.00 0.00 O ATOM 265 CB ASN A 20 -5.880 -14.521 9.444 1.00 0.00 C ATOM 266 CG ASN A 20 -6.191 -15.938 9.003 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.380 -16.847 9.181 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.370 -16.133 8.425 1.00 0.00 N ATOM 0 H ASN A 20 -4.924 -12.381 10.202 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.758 -14.828 9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.051 -14.431 10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.567 -13.832 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.635 -17.066 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.011 -15.350 8.298 1.00 0.00 H new ATOM 275 N LYS A 21 -4.737 -13.122 6.932 1.00 0.00 N ATOM 276 CA LYS A 21 -4.593 -13.021 5.485 1.00 0.00 C ATOM 277 C LYS A 21 -3.122 -12.946 5.088 1.00 0.00 C ATOM 278 O LYS A 21 -2.439 -11.965 5.382 1.00 0.00 O ATOM 279 CB LYS A 21 -5.336 -11.790 4.962 1.00 0.00 C ATOM 280 CG LYS A 21 -6.806 -11.759 5.345 1.00 0.00 C ATOM 281 CD LYS A 21 -7.609 -12.778 4.554 1.00 0.00 C ATOM 282 CE LYS A 21 -7.579 -12.477 3.064 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.569 -13.297 2.312 1.00 0.00 N ATOM 0 H LYS A 21 -5.264 -12.359 7.357 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.027 -13.916 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.850 -10.893 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.251 -11.759 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.910 -11.961 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.208 -10.761 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.209 -13.776 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.641 -12.781 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.787 -11.419 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.579 -12.668 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.517 -13.062 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.356 -14.306 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.526 -13.096 2.665 1.00 0.00 H new ATOM 297 N ASP A 22 -2.640 -13.988 4.419 1.00 0.00 N ATOM 298 CA ASP A 22 -1.251 -14.038 3.979 1.00 0.00 C ATOM 299 C ASP A 22 -0.753 -12.650 3.591 1.00 0.00 C ATOM 300 O ASP A 22 -1.392 -11.946 2.811 1.00 0.00 O ATOM 301 CB ASP A 22 -1.102 -14.997 2.797 1.00 0.00 C ATOM 302 CG ASP A 22 -1.207 -16.451 3.213 1.00 0.00 C ATOM 303 OD1 ASP A 22 -2.339 -16.978 3.248 1.00 0.00 O ATOM 304 OD2 ASP A 22 -0.157 -17.062 3.502 1.00 0.00 O ATOM 0 H ASP A 22 -3.191 -14.809 4.170 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.646 -14.401 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.871 -14.778 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.139 -14.829 2.316 1.00 0.00 H new ATOM 309 N GLY A 23 0.394 -12.262 4.142 1.00 0.00 N ATOM 310 CA GLY A 23 0.957 -10.959 3.842 1.00 0.00 C ATOM 311 C GLY A 23 1.074 -10.706 2.352 1.00 0.00 C ATOM 312 O GLY A 23 0.651 -9.661 1.856 1.00 0.00 O ATOM 0 H GLY A 23 0.942 -12.827 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.334 -10.186 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.943 -10.879 4.299 1.00 0.00 H new ATOM 316 N LYS A 24 1.649 -11.665 1.634 1.00 0.00 N ATOM 317 CA LYS A 24 1.821 -11.543 0.191 1.00 0.00 C ATOM 318 C LYS A 24 0.518 -11.117 -0.478 1.00 0.00 C ATOM 319 O LYS A 24 0.526 -10.361 -1.449 1.00 0.00 O ATOM 320 CB LYS A 24 2.301 -12.871 -0.400 1.00 0.00 C ATOM 321 CG LYS A 24 1.543 -14.079 0.123 1.00 0.00 C ATOM 322 CD LYS A 24 1.680 -15.270 -0.810 1.00 0.00 C ATOM 323 CE LYS A 24 2.906 -16.104 -0.472 1.00 0.00 C ATOM 324 NZ LYS A 24 3.441 -16.812 -1.668 1.00 0.00 N ATOM 0 H LYS A 24 2.004 -12.536 2.028 1.00 0.00 H new ATOM 0 HA LYS A 24 2.573 -10.776 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.203 -12.833 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.361 -12.995 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.918 -14.345 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.489 -13.826 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.787 -15.891 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.749 -14.921 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.680 -15.460 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.649 -16.833 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.276 -17.369 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.711 -17.446 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.710 -16.116 -2.392 1.00 0.00 H new ATOM 338 N SER A 25 -0.600 -11.607 0.049 1.00 0.00 N ATOM 339 CA SER A 25 -1.911 -11.279 -0.499 1.00 0.00 C ATOM 340 C SER A 25 -2.356 -9.891 -0.049 1.00 0.00 C ATOM 341 O SER A 25 -2.872 -9.104 -0.842 1.00 0.00 O ATOM 342 CB SER A 25 -2.943 -12.323 -0.068 1.00 0.00 C ATOM 343 OG SER A 25 -2.971 -13.414 -0.971 1.00 0.00 O ATOM 0 H SER A 25 -0.624 -12.232 0.854 1.00 0.00 H new ATOM 0 HA SER A 25 -1.834 -11.282 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.706 -12.682 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.930 -11.864 -0.017 1.00 0.00 H new ATOM 0 HG SER A 25 -3.637 -14.068 -0.673 1.00 0.00 H new ATOM 349 N VAL A 26 -2.153 -9.598 1.232 1.00 0.00 N ATOM 350 CA VAL A 26 -2.532 -8.305 1.790 1.00 0.00 C ATOM 351 C VAL A 26 -1.873 -7.162 1.025 1.00 0.00 C ATOM 352 O VAL A 26 -2.548 -6.247 0.554 1.00 0.00 O ATOM 353 CB VAL A 26 -2.147 -8.201 3.278 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.520 -6.835 3.832 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.813 -9.310 4.078 1.00 0.00 C ATOM 0 H VAL A 26 -1.728 -10.239 1.903 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.615 -8.225 1.696 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.067 -8.319 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.240 -6.780 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.992 -6.060 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.595 -6.684 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.530 -9.222 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.896 -9.226 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.491 -10.278 3.696 1.00 0.00 H new ATOM 365 N SER A 27 -0.551 -7.222 0.905 1.00 0.00 N ATOM 366 CA SER A 27 0.201 -6.191 0.200 1.00 0.00 C ATOM 367 C SER A 27 -0.426 -5.895 -1.159 1.00 0.00 C ATOM 368 O SER A 27 -0.579 -4.738 -1.546 1.00 0.00 O ATOM 369 CB SER A 27 1.657 -6.624 0.020 1.00 0.00 C ATOM 370 OG SER A 27 1.737 -7.912 -0.565 1.00 0.00 O ATOM 0 H SER A 27 0.022 -7.974 1.287 1.00 0.00 H new ATOM 0 HA SER A 27 0.172 -5.281 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.179 -5.903 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.161 -6.628 0.987 1.00 0.00 H new ATOM 0 HG SER A 27 1.489 -8.589 0.099 1.00 0.00 H new ATOM 376 N ASN A 28 -0.786 -6.953 -1.880 1.00 0.00 N ATOM 377 CA ASN A 28 -1.396 -6.808 -3.197 1.00 0.00 C ATOM 378 C ASN A 28 -2.697 -6.016 -3.110 1.00 0.00 C ATOM 379 O ASN A 28 -2.948 -5.125 -3.921 1.00 0.00 O ATOM 380 CB ASN A 28 -1.662 -8.183 -3.812 1.00 0.00 C ATOM 381 CG ASN A 28 -1.621 -8.156 -5.328 1.00 0.00 C ATOM 382 OD1 ASN A 28 -0.801 -8.832 -5.949 1.00 0.00 O ATOM 383 ND2 ASN A 28 -2.509 -7.373 -5.930 1.00 0.00 N ATOM 0 H ASN A 28 -0.666 -7.919 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.701 -6.261 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.921 -8.892 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.637 -8.542 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.530 -7.314 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.170 -6.830 -5.374 1.00 0.00 H new ATOM 390 N ARG A 29 -3.520 -6.348 -2.121 1.00 0.00 N ATOM 391 CA ARG A 29 -4.795 -5.669 -1.928 1.00 0.00 C ATOM 392 C ARG A 29 -4.589 -4.169 -1.735 1.00 0.00 C ATOM 393 O ARG A 29 -5.321 -3.353 -2.297 1.00 0.00 O ATOM 394 CB ARG A 29 -5.531 -6.253 -0.720 1.00 0.00 C ATOM 395 CG ARG A 29 -6.778 -5.475 -0.332 1.00 0.00 C ATOM 396 CD ARG A 29 -7.818 -5.500 -1.440 1.00 0.00 C ATOM 397 NE ARG A 29 -9.173 -5.323 -0.924 1.00 0.00 N ATOM 398 CZ ARG A 29 -10.232 -5.109 -1.696 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.094 -5.046 -3.013 1.00 0.00 N ATOM 400 NH2 ARG A 29 -11.432 -4.958 -1.152 1.00 0.00 N ATOM 0 H ARG A 29 -3.326 -7.083 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.399 -5.823 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.810 -7.284 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.851 -6.280 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.204 -5.898 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.509 -4.443 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.599 -4.712 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.755 -6.448 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.314 -5.366 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.173 -5.162 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.909 -4.882 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.543 -5.006 -0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.244 -4.794 -1.746 1.00 0.00 H new ATOM 414 N LEU A 30 -3.589 -3.813 -0.937 1.00 0.00 N ATOM 415 CA LEU A 30 -3.286 -2.411 -0.669 1.00 0.00 C ATOM 416 C LEU A 30 -2.648 -1.750 -1.886 1.00 0.00 C ATOM 417 O LEU A 30 -2.945 -0.598 -2.206 1.00 0.00 O ATOM 418 CB LEU A 30 -2.353 -2.292 0.538 1.00 0.00 C ATOM 419 CG LEU A 30 -2.974 -2.608 1.900 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.987 -4.108 2.146 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.218 -1.890 3.009 1.00 0.00 C ATOM 0 H LEU A 30 -2.974 -4.475 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.222 -1.898 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.505 -2.960 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.958 -1.277 0.568 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.004 -2.252 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.432 -4.313 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.572 -4.599 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.966 -4.489 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.673 -2.126 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.178 -2.215 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.261 -0.814 2.841 1.00 0.00 H new ATOM 433 N ARG A 31 -1.772 -2.486 -2.562 1.00 0.00 N ATOM 434 CA ARG A 31 -1.093 -1.971 -3.745 1.00 0.00 C ATOM 435 C ARG A 31 -2.071 -1.232 -4.654 1.00 0.00 C ATOM 436 O ARG A 31 -1.798 -0.117 -5.099 1.00 0.00 O ATOM 437 CB ARG A 31 -0.428 -3.113 -4.515 1.00 0.00 C ATOM 438 CG ARG A 31 0.937 -3.501 -3.970 1.00 0.00 C ATOM 439 CD ARG A 31 1.535 -4.666 -4.743 1.00 0.00 C ATOM 440 NE ARG A 31 2.184 -4.229 -5.976 1.00 0.00 N ATOM 441 CZ ARG A 31 3.339 -3.573 -6.006 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.968 -3.280 -4.876 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.867 -3.210 -7.167 1.00 0.00 N ATOM 0 H ARG A 31 -1.516 -3.441 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.327 -1.269 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.081 -3.985 -4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.323 -2.823 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.609 -2.644 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.847 -3.769 -2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.260 -5.183 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.750 -5.384 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 31 1.726 -4.439 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.565 -3.558 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.855 -2.776 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.386 -3.434 -8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.754 -2.706 -7.189 1.00 0.00 H new ATOM 457 N ARG A 32 -3.209 -1.861 -4.926 1.00 0.00 N ATOM 458 CA ARG A 32 -4.226 -1.264 -5.784 1.00 0.00 C ATOM 459 C ARG A 32 -4.764 0.026 -5.172 1.00 0.00 C ATOM 460 O ARG A 32 -4.983 1.014 -5.873 1.00 0.00 O ATOM 461 CB ARG A 32 -5.373 -2.250 -6.013 1.00 0.00 C ATOM 462 CG ARG A 32 -5.181 -3.136 -7.233 1.00 0.00 C ATOM 463 CD ARG A 32 -5.789 -2.509 -8.478 1.00 0.00 C ATOM 464 NE ARG A 32 -7.226 -2.751 -8.567 1.00 0.00 N ATOM 465 CZ ARG A 32 -8.034 -2.091 -9.390 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.547 -1.154 -10.191 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.331 -2.369 -9.413 1.00 0.00 N ATOM 0 H ARG A 32 -3.450 -2.784 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.764 -1.026 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.481 -2.880 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.303 -1.693 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.117 -3.310 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.639 -4.109 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.602 -1.435 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.298 -2.912 -9.364 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.632 -3.466 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.550 -0.938 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.169 -0.649 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.709 -3.090 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.950 -1.862 -10.045 1.00 0.00 H new ATOM 481 N LEU A 33 -4.977 0.009 -3.861 1.00 0.00 N ATOM 482 CA LEU A 33 -5.490 1.177 -3.153 1.00 0.00 C ATOM 483 C LEU A 33 -4.475 2.315 -3.174 1.00 0.00 C ATOM 484 O LEU A 33 -4.834 3.482 -3.017 1.00 0.00 O ATOM 485 CB LEU A 33 -5.835 0.812 -1.709 1.00 0.00 C ATOM 486 CG LEU A 33 -7.029 -0.125 -1.520 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.882 -0.925 -0.234 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.330 0.664 -1.513 1.00 0.00 C ATOM 0 H LEU A 33 -4.802 -0.801 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.394 1.512 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.960 0.349 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.031 1.733 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.055 -0.823 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.741 -1.586 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.970 -1.520 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.830 -0.243 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.169 -0.019 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.314 1.385 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.441 1.191 -2.460 1.00 0.00 H new ATOM 500 N SER A 34 -3.208 1.968 -3.371 1.00 0.00 N ATOM 501 CA SER A 34 -2.140 2.960 -3.410 1.00 0.00 C ATOM 502 C SER A 34 -1.881 3.422 -4.841 1.00 0.00 C ATOM 503 O SER A 34 -1.452 4.553 -5.072 1.00 0.00 O ATOM 504 CB SER A 34 -0.857 2.385 -2.807 1.00 0.00 C ATOM 505 OG SER A 34 0.159 3.370 -2.737 1.00 0.00 O ATOM 0 H SER A 34 -2.895 1.007 -3.506 1.00 0.00 H new ATOM 0 HA SER A 34 -2.455 3.820 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.062 1.998 -1.809 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.513 1.545 -3.410 1.00 0.00 H new ATOM 0 HG SER A 34 -0.084 4.043 -2.067 1.00 0.00 H new ATOM 511 N ASP A 35 -2.144 2.539 -5.798 1.00 0.00 N ATOM 512 CA ASP A 35 -1.941 2.854 -7.207 1.00 0.00 C ATOM 513 C ASP A 35 -2.870 3.979 -7.652 1.00 0.00 C ATOM 514 O ASP A 35 -2.450 4.911 -8.336 1.00 0.00 O ATOM 515 CB ASP A 35 -2.174 1.613 -8.069 1.00 0.00 C ATOM 516 CG ASP A 35 -2.283 1.944 -9.544 1.00 0.00 C ATOM 517 OD1 ASP A 35 -1.325 2.528 -10.093 1.00 0.00 O ATOM 518 OD2 ASP A 35 -3.325 1.618 -10.150 1.00 0.00 O ATOM 0 H ASP A 35 -2.499 1.599 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.911 3.186 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.355 0.910 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.087 1.114 -7.743 1.00 0.00 H new ATOM 523 N ASN A 36 -4.137 3.884 -7.258 1.00 0.00 N ATOM 524 CA ASN A 36 -5.126 4.893 -7.618 1.00 0.00 C ATOM 525 C ASN A 36 -4.776 6.243 -7.001 1.00 0.00 C ATOM 526 O ASN A 36 -4.967 7.290 -7.622 1.00 0.00 O ATOM 527 CB ASN A 36 -6.519 4.457 -7.160 1.00 0.00 C ATOM 528 CG ASN A 36 -7.620 5.027 -8.033 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.623 6.217 -8.349 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.562 4.178 -8.427 1.00 0.00 N ATOM 0 H ASN A 36 -4.502 3.119 -6.690 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.123 4.998 -8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.578 3.369 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.675 4.775 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.328 4.504 -9.016 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.519 3.200 -8.141 1.00 0.00 H new ATOM 537 N CYS A 37 -4.261 6.212 -5.777 1.00 0.00 N ATOM 538 CA CYS A 37 -3.884 7.434 -5.075 1.00 0.00 C ATOM 539 C CYS A 37 -2.401 7.734 -5.266 1.00 0.00 C ATOM 540 O CYS A 37 -1.761 8.331 -4.401 1.00 0.00 O ATOM 541 CB CYS A 37 -4.203 7.310 -3.584 1.00 0.00 C ATOM 542 SG CYS A 37 -5.946 6.985 -3.227 1.00 0.00 S ATOM 0 H CYS A 37 -4.095 5.355 -5.250 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.461 8.258 -5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.600 6.507 -3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.906 8.231 -3.082 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.037 6.122 -2.259 1.00 0.00 H new ATOM 548 N GLY A 38 -1.859 7.316 -6.406 1.00 0.00 N ATOM 549 CA GLY A 38 -0.455 7.547 -6.690 1.00 0.00 C ATOM 550 C GLY A 38 0.431 7.281 -5.489 1.00 0.00 C ATOM 551 O GLY A 38 0.985 8.208 -4.900 1.00 0.00 O ATOM 0 H GLY A 38 -2.368 6.821 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.144 6.907 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.318 8.578 -7.017 1.00 0.00 H new ATOM 555 N GLY A 39 0.563 6.010 -5.122 1.00 0.00 N ATOM 556 CA GLY A 39 1.387 5.648 -3.984 1.00 0.00 C ATOM 557 C GLY A 39 2.107 4.330 -4.186 1.00 0.00 C ATOM 558 O GLY A 39 1.862 3.622 -5.164 1.00 0.00 O ATOM 0 H GLY A 39 0.114 5.225 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.120 6.435 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.763 5.585 -3.093 1.00 0.00 H new ATOM 562 N LYS A 40 3.001 3.998 -3.261 1.00 0.00 N ATOM 563 CA LYS A 40 3.761 2.756 -3.341 1.00 0.00 C ATOM 564 C LYS A 40 3.968 2.154 -1.954 1.00 0.00 C ATOM 565 O LYS A 40 4.614 2.755 -1.096 1.00 0.00 O ATOM 566 CB LYS A 40 5.116 3.005 -4.007 1.00 0.00 C ATOM 567 CG LYS A 40 5.826 1.733 -4.436 1.00 0.00 C ATOM 568 CD LYS A 40 6.719 1.972 -5.642 1.00 0.00 C ATOM 569 CE LYS A 40 8.047 2.592 -5.238 1.00 0.00 C ATOM 570 NZ LYS A 40 9.130 2.266 -6.207 1.00 0.00 N ATOM 0 H LYS A 40 3.217 4.572 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 40 3.191 2.049 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.971 3.642 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.756 3.553 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.425 1.353 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.089 0.966 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.899 1.028 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.210 2.628 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.936 3.674 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.327 2.236 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.019 2.707 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.254 1.235 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.875 2.628 -7.148 1.00 0.00 H new ATOM 584 N VAL A 41 3.416 0.964 -1.742 1.00 0.00 N ATOM 585 CA VAL A 41 3.542 0.279 -0.461 1.00 0.00 C ATOM 586 C VAL A 41 4.992 -0.100 -0.181 1.00 0.00 C ATOM 587 O VAL A 41 5.460 -1.160 -0.600 1.00 0.00 O ATOM 588 CB VAL A 41 2.672 -0.991 -0.415 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.999 -1.905 -1.586 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.860 -1.717 0.908 1.00 0.00 C ATOM 0 H VAL A 41 2.877 0.454 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 41 3.197 0.974 0.305 1.00 0.00 H new ATOM 0 HB VAL A 41 1.626 -0.697 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.375 -2.797 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.808 -1.380 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.049 -2.194 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.238 -2.612 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.906 -2.000 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.571 -1.060 1.728 1.00 0.00 H new ATOM 600 N LEU A 42 5.699 0.771 0.530 1.00 0.00 N ATOM 601 CA LEU A 42 7.097 0.528 0.867 1.00 0.00 C ATOM 602 C LEU A 42 7.276 -0.857 1.482 1.00 0.00 C ATOM 603 O LEU A 42 8.039 -1.679 0.974 1.00 0.00 O ATOM 604 CB LEU A 42 7.602 1.597 1.837 1.00 0.00 C ATOM 605 CG LEU A 42 7.717 3.014 1.273 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.632 3.862 2.142 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.224 2.978 -0.162 1.00 0.00 C ATOM 0 H LEU A 42 5.327 1.652 0.884 1.00 0.00 H new ATOM 0 HA LEU A 42 7.680 0.576 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.934 1.623 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.582 1.293 2.204 1.00 0.00 H new ATOM 0 HG LEU A 42 6.725 3.467 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.702 4.867 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.227 3.916 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.624 3.412 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.299 3.995 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.206 2.506 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.530 2.407 -0.779 1.00 0.00 H new ATOM 619 N SER A 43 6.565 -1.109 2.576 1.00 0.00 N ATOM 620 CA SER A 43 6.646 -2.394 3.261 1.00 0.00 C ATOM 621 C SER A 43 5.403 -2.636 4.111 1.00 0.00 C ATOM 622 O SER A 43 4.534 -1.770 4.219 1.00 0.00 O ATOM 623 CB SER A 43 7.897 -2.449 4.140 1.00 0.00 C ATOM 624 OG SER A 43 9.060 -2.663 3.359 1.00 0.00 O ATOM 0 H SER A 43 5.926 -0.441 3.007 1.00 0.00 H new ATOM 0 HA SER A 43 6.706 -3.177 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.995 -1.517 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.795 -3.249 4.873 1.00 0.00 H new ATOM 0 HG SER A 43 8.858 -2.488 2.416 1.00 0.00 H new ATOM 630 N ILE A 44 5.325 -3.819 4.712 1.00 0.00 N ATOM 631 CA ILE A 44 4.189 -4.175 5.553 1.00 0.00 C ATOM 632 C ILE A 44 4.634 -4.999 6.757 1.00 0.00 C ATOM 633 O ILE A 44 4.983 -6.172 6.626 1.00 0.00 O ATOM 634 CB ILE A 44 3.132 -4.969 4.764 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.383 -4.045 3.800 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.160 -5.648 5.717 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.906 -4.741 2.545 1.00 0.00 C ATOM 0 H ILE A 44 6.035 -4.547 4.632 1.00 0.00 H new ATOM 0 HA ILE A 44 3.746 -3.241 5.898 1.00 0.00 H new ATOM 0 HB ILE A 44 3.637 -5.739 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.525 -3.614 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.036 -3.218 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.419 -6.205 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.706 -6.332 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.658 -4.894 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.384 -4.026 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.762 -5.148 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.228 -5.551 2.814 1.00 0.00 H new ATOM 649 N THR A 45 4.616 -4.377 7.932 1.00 0.00 N ATOM 650 CA THR A 45 5.017 -5.052 9.160 1.00 0.00 C ATOM 651 C THR A 45 3.815 -5.310 10.062 1.00 0.00 C ATOM 652 O THR A 45 2.968 -4.438 10.248 1.00 0.00 O ATOM 653 CB THR A 45 6.062 -4.230 9.938 1.00 0.00 C ATOM 654 OG1 THR A 45 5.422 -3.148 10.623 1.00 0.00 O ATOM 655 CG2 THR A 45 7.128 -3.684 9.000 1.00 0.00 C ATOM 0 H THR A 45 4.328 -3.407 8.059 1.00 0.00 H new ATOM 0 HA THR A 45 5.460 -6.004 8.868 1.00 0.00 H new ATOM 0 HB THR A 45 6.542 -4.886 10.664 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.092 -2.631 11.117 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.855 -3.107 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.633 -4.512 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.661 -3.041 8.253 1.00 0.00 H new ATOM 663 N GLY A 46 3.748 -6.514 10.621 1.00 0.00 N ATOM 664 CA GLY A 46 2.647 -6.865 11.498 1.00 0.00 C ATOM 665 C GLY A 46 1.307 -6.407 10.958 1.00 0.00 C ATOM 666 O GLY A 46 1.043 -6.518 9.760 1.00 0.00 O ATOM 0 H GLY A 46 4.437 -7.253 10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.629 -7.946 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.812 -6.419 12.479 1.00 0.00 H new ATOM 670 N CYS A 47 0.459 -5.893 11.841 1.00 0.00 N ATOM 671 CA CYS A 47 -0.863 -5.418 11.446 1.00 0.00 C ATOM 672 C CYS A 47 -0.802 -3.969 10.975 1.00 0.00 C ATOM 673 O CYS A 47 -1.798 -3.247 11.027 1.00 0.00 O ATOM 674 CB CYS A 47 -1.844 -5.548 12.612 1.00 0.00 C ATOM 675 SG CYS A 47 -1.230 -4.869 14.172 1.00 0.00 S ATOM 0 H CYS A 47 0.663 -5.794 12.836 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.211 -6.035 10.618 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.773 -5.043 12.349 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.083 -6.602 12.756 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.130 -5.024 15.097 1.00 0.00 H new ATOM 681 N SER A 48 0.373 -3.550 10.517 1.00 0.00 N ATOM 682 CA SER A 48 0.565 -2.185 10.042 1.00 0.00 C ATOM 683 C SER A 48 1.348 -2.171 8.732 1.00 0.00 C ATOM 684 O SER A 48 1.931 -3.179 8.334 1.00 0.00 O ATOM 685 CB SER A 48 1.298 -1.354 11.097 1.00 0.00 C ATOM 686 OG SER A 48 2.538 -1.948 11.443 1.00 0.00 O ATOM 0 H SER A 48 1.206 -4.136 10.465 1.00 0.00 H new ATOM 0 HA SER A 48 -0.417 -1.747 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.467 -0.346 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.676 -1.259 11.987 1.00 0.00 H new ATOM 0 HG SER A 48 2.644 -2.792 10.956 1.00 0.00 H new ATOM 692 N ALA A 49 1.356 -1.020 8.068 1.00 0.00 N ATOM 693 CA ALA A 49 2.068 -0.872 6.804 1.00 0.00 C ATOM 694 C ALA A 49 2.522 0.568 6.595 1.00 0.00 C ATOM 695 O ALA A 49 2.006 1.490 7.229 1.00 0.00 O ATOM 696 CB ALA A 49 1.190 -1.325 5.647 1.00 0.00 C ATOM 0 H ALA A 49 0.878 -0.176 8.384 1.00 0.00 H new ATOM 0 HA ALA A 49 2.956 -1.503 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.734 -1.209 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.921 -2.372 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.285 -0.719 5.618 1.00 0.00 H new ATOM 702 N ILE A 50 3.490 0.755 5.704 1.00 0.00 N ATOM 703 CA ILE A 50 4.012 2.084 5.411 1.00 0.00 C ATOM 704 C ILE A 50 4.050 2.342 3.909 1.00 0.00 C ATOM 705 O ILE A 50 4.666 1.588 3.154 1.00 0.00 O ATOM 706 CB ILE A 50 5.427 2.273 5.989 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.398 2.155 7.515 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.997 3.619 5.567 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.751 1.857 8.123 1.00 0.00 C ATOM 0 H ILE A 50 3.929 0.003 5.173 1.00 0.00 H new ATOM 0 HA ILE A 50 3.337 2.798 5.882 1.00 0.00 H new ATOM 0 HB ILE A 50 6.072 1.488 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.016 3.085 7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.700 1.367 7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.997 3.737 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.049 3.667 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.354 4.418 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.656 1.787 9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.126 0.912 7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.447 2.657 7.871 1.00 0.00 H new ATOM 721 N LEU A 51 3.390 3.412 3.481 1.00 0.00 N ATOM 722 CA LEU A 51 3.349 3.771 2.067 1.00 0.00 C ATOM 723 C LEU A 51 4.131 5.056 1.809 1.00 0.00 C ATOM 724 O LEU A 51 4.387 5.833 2.729 1.00 0.00 O ATOM 725 CB LEU A 51 1.901 3.941 1.605 1.00 0.00 C ATOM 726 CG LEU A 51 1.067 2.661 1.527 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.360 2.403 2.849 1.00 0.00 C ATOM 728 CD2 LEU A 51 0.060 2.749 0.390 1.00 0.00 C ATOM 0 H LEU A 51 2.876 4.046 4.092 1.00 0.00 H new ATOM 0 HA LEU A 51 3.813 2.964 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.403 4.634 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.907 4.407 0.620 1.00 0.00 H new ATOM 0 HG LEU A 51 1.737 1.825 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.228 1.488 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.100 2.295 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.299 3.240 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.524 1.830 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.606 3.595 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.588 2.885 -0.554 1.00 0.00 H new ATOM 740 N ARG A 52 4.505 5.272 0.553 1.00 0.00 N ATOM 741 CA ARG A 52 5.256 6.463 0.174 1.00 0.00 C ATOM 742 C ARG A 52 4.545 7.222 -0.942 1.00 0.00 C ATOM 743 O ARG A 52 4.244 6.661 -1.996 1.00 0.00 O ATOM 744 CB ARG A 52 6.668 6.080 -0.275 1.00 0.00 C ATOM 745 CG ARG A 52 7.395 7.191 -1.014 1.00 0.00 C ATOM 746 CD ARG A 52 8.892 7.148 -0.753 1.00 0.00 C ATOM 747 NE ARG A 52 9.581 6.243 -1.669 1.00 0.00 N ATOM 748 CZ ARG A 52 10.903 6.120 -1.724 1.00 0.00 C ATOM 749 NH1 ARG A 52 11.673 6.839 -0.920 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.456 5.275 -2.585 1.00 0.00 N ATOM 0 H ARG A 52 4.301 4.638 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 52 5.323 7.113 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.253 5.794 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.610 5.204 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.209 7.100 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.998 8.157 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.307 8.151 -0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.072 6.831 0.274 1.00 0.00 H new ATOM 0 HE ARG A 52 9.017 5.675 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.251 7.489 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.687 6.742 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.866 4.720 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.471 5.181 -2.627 1.00 0.00 H new ATOM 764 N PHE A 53 4.278 8.502 -0.703 1.00 0.00 N ATOM 765 CA PHE A 53 3.600 9.338 -1.687 1.00 0.00 C ATOM 766 C PHE A 53 4.493 10.496 -2.124 1.00 0.00 C ATOM 767 O PHE A 53 5.427 10.875 -1.416 1.00 0.00 O ATOM 768 CB PHE A 53 2.290 9.879 -1.112 1.00 0.00 C ATOM 769 CG PHE A 53 1.292 8.806 -0.781 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.443 8.028 0.355 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.204 8.576 -1.606 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.527 7.040 0.663 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.716 7.590 -1.304 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.554 6.820 -0.168 1.00 0.00 C ATOM 0 H PHE A 53 4.521 8.983 0.163 1.00 0.00 H new ATOM 0 HA PHE A 53 3.379 8.723 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.507 10.452 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.845 10.569 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.287 8.195 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.073 9.174 -2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.656 6.441 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.561 7.421 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.271 6.048 0.069 1.00 0.00 H new ATOM 784 N ILE A 54 4.200 11.052 -3.295 1.00 0.00 N ATOM 785 CA ILE A 54 4.975 12.166 -3.826 1.00 0.00 C ATOM 786 C ILE A 54 4.795 13.417 -2.973 1.00 0.00 C ATOM 787 O ILE A 54 5.767 14.075 -2.604 1.00 0.00 O ATOM 788 CB ILE A 54 4.577 12.487 -5.279 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.386 13.676 -5.802 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.086 12.773 -5.368 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.642 13.624 -7.292 1.00 0.00 C ATOM 0 H ILE A 54 3.432 10.749 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 54 6.021 11.861 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 54 4.799 11.620 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.856 14.598 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.341 13.714 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.820 12.998 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.527 11.900 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.841 13.626 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.220 14.498 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.199 12.719 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.691 13.618 -7.825 1.00 0.00 H new ATOM 803 N ASN A 55 3.544 13.740 -2.663 1.00 0.00 N ATOM 804 CA ASN A 55 3.235 14.913 -1.852 1.00 0.00 C ATOM 805 C ASN A 55 2.100 14.616 -0.877 1.00 0.00 C ATOM 806 O ASN A 55 1.528 13.527 -0.888 1.00 0.00 O ATOM 807 CB ASN A 55 2.857 16.093 -2.749 1.00 0.00 C ATOM 808 CG ASN A 55 1.780 15.734 -3.754 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.766 15.130 -3.405 1.00 0.00 O ATOM 810 ND2 ASN A 55 1.996 16.106 -5.010 1.00 0.00 N ATOM 0 H ASN A 55 2.727 13.206 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 55 4.125 15.172 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.511 16.920 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.743 16.441 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.307 15.893 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.851 16.605 -5.254 1.00 0.00 H new ATOM 817 N GLN A 56 1.780 15.594 -0.035 1.00 0.00 N ATOM 818 CA GLN A 56 0.713 15.437 0.946 1.00 0.00 C ATOM 819 C GLN A 56 -0.610 15.103 0.264 1.00 0.00 C ATOM 820 O GLN A 56 -1.163 14.021 0.457 1.00 0.00 O ATOM 821 CB GLN A 56 0.564 16.713 1.777 1.00 0.00 C ATOM 822 CG GLN A 56 -0.360 16.556 2.974 1.00 0.00 C ATOM 823 CD GLN A 56 0.375 16.113 4.224 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.524 15.677 4.161 1.00 0.00 O ATOM 825 NE2 GLN A 56 -0.287 16.224 5.370 1.00 0.00 N ATOM 0 H GLN A 56 2.244 16.502 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 56 0.979 14.611 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.548 17.026 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.185 17.510 1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.861 17.504 3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.136 15.828 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.239 16.591 5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.156 15.942 6.244 1.00 0.00 H new ATOM 834 N ASP A 57 -1.111 16.040 -0.533 1.00 0.00 N ATOM 835 CA ASP A 57 -2.369 15.845 -1.245 1.00 0.00 C ATOM 836 C ASP A 57 -2.542 14.386 -1.653 1.00 0.00 C ATOM 837 O ASP A 57 -3.492 13.723 -1.238 1.00 0.00 O ATOM 838 CB ASP A 57 -2.425 16.744 -2.481 1.00 0.00 C ATOM 839 CG ASP A 57 -3.845 17.096 -2.877 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.674 17.325 -1.971 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.128 17.144 -4.092 1.00 0.00 O ATOM 0 H ASP A 57 -0.666 16.942 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.184 16.114 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.868 17.660 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.932 16.243 -3.314 1.00 0.00 H new ATOM 846 N SER A 58 -1.617 13.892 -2.470 1.00 0.00 N ATOM 847 CA SER A 58 -1.670 12.512 -2.939 1.00 0.00 C ATOM 848 C SER A 58 -1.873 11.549 -1.773 1.00 0.00 C ATOM 849 O SER A 58 -2.673 10.618 -1.855 1.00 0.00 O ATOM 850 CB SER A 58 -0.385 12.157 -3.691 1.00 0.00 C ATOM 851 OG SER A 58 -0.356 12.768 -4.969 1.00 0.00 O ATOM 0 H SER A 58 -0.822 14.427 -2.821 1.00 0.00 H new ATOM 0 HA SER A 58 -2.518 12.417 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.480 12.479 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.311 11.075 -3.800 1.00 0.00 H new ATOM 0 HG SER A 58 0.009 13.674 -4.890 1.00 0.00 H new ATOM 857 N ALA A 59 -1.141 11.781 -0.688 1.00 0.00 N ATOM 858 CA ALA A 59 -1.242 10.937 0.496 1.00 0.00 C ATOM 859 C ALA A 59 -2.623 11.046 1.132 1.00 0.00 C ATOM 860 O ALA A 59 -3.218 10.041 1.521 1.00 0.00 O ATOM 861 CB ALA A 59 -0.163 11.310 1.503 1.00 0.00 C ATOM 0 H ALA A 59 -0.472 12.546 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.094 9.902 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.250 10.672 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.819 11.173 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.285 12.352 1.798 1.00 0.00 H new ATOM 867 N GLU A 60 -3.127 12.272 1.236 1.00 0.00 N ATOM 868 CA GLU A 60 -4.438 12.511 1.827 1.00 0.00 C ATOM 869 C GLU A 60 -5.508 11.670 1.136 1.00 0.00 C ATOM 870 O GLU A 60 -6.091 10.770 1.740 1.00 0.00 O ATOM 871 CB GLU A 60 -4.801 13.994 1.735 1.00 0.00 C ATOM 872 CG GLU A 60 -3.790 14.911 2.404 1.00 0.00 C ATOM 873 CD GLU A 60 -4.410 16.206 2.892 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.080 16.183 3.946 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.227 17.242 2.220 1.00 0.00 O ATOM 0 H GLU A 60 -2.647 13.114 0.919 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.393 12.220 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.893 14.273 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.778 14.149 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.335 14.390 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.990 15.138 1.700 1.00 0.00 H new ATOM 882 N ARG A 61 -5.760 11.972 -0.134 1.00 0.00 N ATOM 883 CA ARG A 61 -6.760 11.246 -0.907 1.00 0.00 C ATOM 884 C ARG A 61 -6.775 9.768 -0.526 1.00 0.00 C ATOM 885 O ARG A 61 -7.825 9.126 -0.533 1.00 0.00 O ATOM 886 CB ARG A 61 -6.484 11.394 -2.404 1.00 0.00 C ATOM 887 CG ARG A 61 -6.534 12.832 -2.893 1.00 0.00 C ATOM 888 CD ARG A 61 -6.549 12.904 -4.412 1.00 0.00 C ATOM 889 NE ARG A 61 -7.883 12.667 -4.958 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.882 13.536 -4.860 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.700 14.695 -4.241 1.00 0.00 N ATOM 892 NH2 ARG A 61 -10.067 13.248 -5.383 1.00 0.00 N ATOM 0 H ARG A 61 -5.286 12.714 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.737 11.672 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.502 10.977 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.214 10.805 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.423 13.322 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.672 13.378 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.195 13.884 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.855 12.167 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.057 11.786 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.790 14.921 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.470 15.360 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.211 12.358 -5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.834 13.916 -5.307 1.00 0.00 H new ATOM 906 N ALA A 62 -5.604 9.236 -0.194 1.00 0.00 N ATOM 907 CA ALA A 62 -5.483 7.836 0.192 1.00 0.00 C ATOM 908 C ALA A 62 -5.827 7.640 1.664 1.00 0.00 C ATOM 909 O ALA A 62 -6.521 6.690 2.027 1.00 0.00 O ATOM 910 CB ALA A 62 -4.077 7.329 -0.095 1.00 0.00 C ATOM 0 H ALA A 62 -4.725 9.754 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.194 7.259 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.001 6.282 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.866 7.424 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.355 7.918 0.471 1.00 0.00 H new ATOM 916 N GLN A 63 -5.338 8.543 2.507 1.00 0.00 N ATOM 917 CA GLN A 63 -5.594 8.468 3.941 1.00 0.00 C ATOM 918 C GLN A 63 -7.080 8.638 4.238 1.00 0.00 C ATOM 919 O GLN A 63 -7.589 8.117 5.230 1.00 0.00 O ATOM 920 CB GLN A 63 -4.787 9.536 4.681 1.00 0.00 C ATOM 921 CG GLN A 63 -4.834 9.394 6.194 1.00 0.00 C ATOM 922 CD GLN A 63 -5.983 10.162 6.816 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.594 11.017 6.174 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.285 9.861 8.074 1.00 0.00 N ATOM 0 H GLN A 63 -4.762 9.335 2.222 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.284 7.483 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.749 9.488 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.164 10.521 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.924 8.339 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.894 9.747 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.753 9.146 8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.049 10.345 8.545 1.00 0.00 H new ATOM 933 N LYS A 64 -7.771 9.372 3.372 1.00 0.00 N ATOM 934 CA LYS A 64 -9.199 9.611 3.541 1.00 0.00 C ATOM 935 C LYS A 64 -10.018 8.529 2.844 1.00 0.00 C ATOM 936 O LYS A 64 -11.184 8.311 3.174 1.00 0.00 O ATOM 937 CB LYS A 64 -9.575 10.987 2.986 1.00 0.00 C ATOM 938 CG LYS A 64 -9.449 11.089 1.476 1.00 0.00 C ATOM 939 CD LYS A 64 -10.739 10.689 0.780 1.00 0.00 C ATOM 940 CE LYS A 64 -11.715 11.852 0.703 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.690 11.686 -0.411 1.00 0.00 N ATOM 0 H LYS A 64 -7.365 9.812 2.546 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.424 9.582 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.601 11.217 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.938 11.742 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.187 12.111 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.636 10.448 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.516 10.333 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.201 9.860 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.253 11.937 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.162 12.781 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.338 12.499 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.178 11.630 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.236 10.812 -0.268 1.00 0.00 H new ATOM 955 N ARG A 65 -9.400 7.854 1.880 1.00 0.00 N ATOM 956 CA ARG A 65 -10.072 6.795 1.138 1.00 0.00 C ATOM 957 C ARG A 65 -9.868 5.443 1.814 1.00 0.00 C ATOM 958 O ARG A 65 -10.817 4.835 2.308 1.00 0.00 O ATOM 959 CB ARG A 65 -9.552 6.741 -0.300 1.00 0.00 C ATOM 960 CG ARG A 65 -9.781 5.402 -0.981 1.00 0.00 C ATOM 961 CD ARG A 65 -11.262 5.134 -1.199 1.00 0.00 C ATOM 962 NE ARG A 65 -11.488 4.045 -2.146 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.604 3.905 -2.853 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.590 4.782 -2.722 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.734 2.888 -3.694 1.00 0.00 N ATOM 0 H ARG A 65 -8.435 8.022 1.595 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.139 7.018 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.038 7.523 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.484 6.961 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.262 5.387 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.352 4.605 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.730 4.888 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.744 6.040 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.748 3.354 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.493 5.566 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.446 4.672 -3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.977 2.213 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.591 2.781 -4.236 1.00 0.00 H new ATOM 979 N MET A 66 -8.623 4.978 1.833 1.00 0.00 N ATOM 980 CA MET A 66 -8.294 3.698 2.450 1.00 0.00 C ATOM 981 C MET A 66 -8.908 3.592 3.842 1.00 0.00 C ATOM 982 O MET A 66 -9.516 2.579 4.186 1.00 0.00 O ATOM 983 CB MET A 66 -6.777 3.523 2.534 1.00 0.00 C ATOM 984 CG MET A 66 -6.124 3.224 1.194 1.00 0.00 C ATOM 985 SD MET A 66 -4.547 2.367 1.366 1.00 0.00 S ATOM 986 CE MET A 66 -3.398 3.711 1.078 1.00 0.00 C ATOM 0 H MET A 66 -7.825 5.468 1.428 1.00 0.00 H new ATOM 0 HA MET A 66 -8.710 2.905 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.337 4.430 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.551 2.713 3.228 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.800 2.616 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.969 4.158 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.448 3.488 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.238 3.830 0.006 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.807 4.634 1.488 1.00 0.00 H new ATOM 996 N GLU A 67 -8.745 4.644 4.638 1.00 0.00 N ATOM 997 CA GLU A 67 -9.283 4.667 5.993 1.00 0.00 C ATOM 998 C GLU A 67 -10.677 4.048 6.036 1.00 0.00 C ATOM 999 O GLU A 67 -10.995 3.271 6.935 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.334 6.103 6.521 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.217 7.024 5.695 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.417 8.378 6.346 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.420 8.962 6.822 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.571 8.855 6.380 1.00 0.00 O ATOM 0 H GLU A 67 -8.245 5.491 4.368 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.623 4.077 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.697 6.091 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.323 6.509 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.771 7.161 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.187 6.551 5.543 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.504 4.399 5.057 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.864 3.879 4.982 1.00 0.00 C ATOM 1013 C ASN A 68 -12.893 2.532 4.266 1.00 0.00 C ATOM 1014 O ASN A 68 -13.846 1.765 4.404 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.774 4.873 4.258 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.984 6.148 5.052 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.469 7.207 4.695 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.744 6.051 6.137 1.00 0.00 N ATOM 0 H ASN A 68 -11.256 5.041 4.305 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.228 3.738 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.340 5.119 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.739 4.405 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.921 6.875 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.151 5.152 6.396 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.843 2.251 3.502 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.748 0.997 2.764 1.00 0.00 C ATOM 1027 C GLU A 69 -11.629 -0.188 3.719 1.00 0.00 C ATOM 1028 O GLU A 69 -11.420 -0.013 4.919 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.547 1.025 1.817 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.694 2.022 0.679 1.00 0.00 C ATOM 1031 CD GLU A 69 -12.005 1.867 -0.067 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.374 0.717 -0.387 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.661 2.895 -0.332 1.00 0.00 O ATOM 0 H GLU A 69 -11.046 2.875 3.378 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.660 0.880 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.650 1.267 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.400 0.029 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.624 3.034 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.866 1.896 -0.019 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.764 -1.393 3.176 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.671 -2.607 3.978 1.00 0.00 C ATOM 1042 C ASP A 70 -10.795 -3.648 3.288 1.00 0.00 C ATOM 1043 O ASP A 70 -11.273 -4.433 2.468 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.064 -3.184 4.233 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.861 -2.356 5.223 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.784 -1.112 5.153 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.560 -2.953 6.069 1.00 0.00 O ATOM 0 H ASP A 70 -11.938 -1.555 2.184 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.213 -2.348 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.608 -3.242 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.969 -4.203 4.609 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.509 -3.649 3.624 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.566 -4.594 3.037 1.00 0.00 C ATOM 1054 C VAL A 71 -9.229 -5.941 2.775 1.00 0.00 C ATOM 1055 O VAL A 71 -9.158 -6.475 1.668 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.342 -4.805 3.949 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.780 -5.007 5.392 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.514 -5.985 3.464 1.00 0.00 C ATOM 0 H VAL A 71 -9.096 -3.006 4.300 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.236 -4.165 2.091 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.719 -3.911 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.902 -5.154 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.327 -4.128 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.425 -5.884 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.654 -6.120 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.125 -6.888 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.169 -5.794 2.448 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.874 -6.487 3.801 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.550 -7.773 3.681 1.00 0.00 C ATOM 1070 C PHE A 72 -11.451 -8.028 4.887 1.00 0.00 C ATOM 1071 O PHE A 72 -10.971 -8.247 5.998 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.525 -8.902 3.548 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.044 -9.112 2.141 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.938 -9.423 1.129 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.699 -8.998 1.831 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.499 -9.617 -0.167 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.254 -9.191 0.536 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.155 -9.501 -0.464 1.00 0.00 C ATOM 0 H PHE A 72 -9.943 -6.059 4.724 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.170 -7.747 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.670 -8.682 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.967 -9.828 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.990 -9.515 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.990 -8.756 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.206 -9.859 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.203 -9.099 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.809 -9.652 -1.476 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.760 -7.997 4.657 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.707 -8.225 5.732 1.00 0.00 C ATOM 1090 C GLY A 73 -13.356 -7.453 6.988 1.00 0.00 C ATOM 1091 O GLY A 73 -13.811 -7.791 8.080 1.00 0.00 O ATOM 0 H GLY A 73 -13.181 -7.818 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.705 -7.938 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.742 -9.290 5.962 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.541 -6.414 6.834 1.00 0.00 N ATOM 1096 CA ASN A 74 -12.127 -5.594 7.966 1.00 0.00 C ATOM 1097 C ASN A 74 -11.728 -4.194 7.507 1.00 0.00 C ATOM 1098 O ASN A 74 -11.262 -4.008 6.383 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.958 -6.253 8.700 1.00 0.00 C ATOM 1100 CG ASN A 74 -10.146 -5.259 9.508 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.664 -4.613 10.419 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.867 -5.131 9.175 1.00 0.00 N ATOM 0 H ASN A 74 -12.155 -6.121 5.937 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.973 -5.507 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.340 -7.029 9.363 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.309 -6.744 7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.271 -4.476 9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.480 -5.687 8.413 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.915 -3.214 8.384 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.576 -1.831 8.068 1.00 0.00 C ATOM 1111 C ARG A 75 -10.160 -1.500 8.530 1.00 0.00 C ATOM 1112 O ARG A 75 -9.756 -1.863 9.635 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.575 -0.876 8.725 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.197 0.590 8.586 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.302 1.045 9.728 1.00 0.00 C ATOM 1116 NE ARG A 75 -12.073 1.559 10.857 1.00 0.00 N ATOM 1117 CZ ARG A 75 -12.822 2.654 10.797 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -12.900 3.347 9.669 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -13.494 3.059 11.867 1.00 0.00 N ATOM 0 H ARG A 75 -12.299 -3.351 9.319 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.625 -1.709 6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.559 -1.032 8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.658 -1.122 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.685 0.746 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.100 1.199 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.686 0.210 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.623 1.819 9.370 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.034 1.049 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.384 3.039 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.476 4.188 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.436 2.529 12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.069 3.900 11.820 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.412 -0.810 7.676 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.042 -0.429 7.996 1.00 0.00 C ATOM 1135 C ILE A 76 -7.959 1.039 8.400 1.00 0.00 C ATOM 1136 O ILE A 76 -8.788 1.853 7.993 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.096 -0.677 6.807 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.674 -0.062 5.531 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.857 -2.168 6.621 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.776 -0.219 4.323 1.00 0.00 C ATOM 0 H ILE A 76 -9.732 -0.503 6.757 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.730 -1.052 8.834 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.139 -0.199 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.638 -0.524 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.859 0.999 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.186 -2.326 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.407 -2.580 7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.807 -2.668 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.250 0.240 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.820 0.268 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.611 -1.279 4.128 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.952 1.370 9.202 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.759 2.741 9.658 1.00 0.00 C ATOM 1154 C ILE A 77 -5.494 3.347 9.060 1.00 0.00 C ATOM 1155 O ILE A 77 -4.420 2.747 9.113 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.674 2.816 11.194 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.871 2.106 11.829 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.609 4.266 11.651 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.775 1.986 13.333 1.00 0.00 C ATOM 0 H ILE A 77 -6.258 0.708 9.549 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.625 3.310 9.321 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.763 2.312 11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.782 2.648 11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.962 1.109 11.398 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.549 4.302 12.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.727 4.743 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.504 4.793 11.319 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.658 1.472 13.714 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.883 1.418 13.596 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.715 2.981 13.774 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.628 4.541 8.491 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.495 5.231 7.885 1.00 0.00 C ATOM 1173 C VAL A 78 -4.147 6.498 8.657 1.00 0.00 C ATOM 1174 O VAL A 78 -4.958 7.418 8.759 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.783 5.599 6.418 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.542 6.185 5.761 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.278 4.382 5.650 1.00 0.00 C ATOM 0 H VAL A 78 -6.510 5.051 8.437 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.649 4.544 7.920 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.567 6.356 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.765 6.439 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.236 7.083 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.735 5.453 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.476 4.661 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.518 3.601 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.195 4.011 6.108 1.00 0.00 H new ATOM 1187 N SER A 79 -2.934 6.540 9.199 1.00 0.00 N ATOM 1188 CA SER A 79 -2.478 7.694 9.965 1.00 0.00 C ATOM 1189 C SER A 79 -1.148 8.212 9.426 1.00 0.00 C ATOM 1190 O SER A 79 -0.298 7.437 8.987 1.00 0.00 O ATOM 1191 CB SER A 79 -2.333 7.326 11.443 1.00 0.00 C ATOM 1192 OG SER A 79 -2.589 8.445 12.274 1.00 0.00 O ATOM 0 H SER A 79 -2.249 5.788 9.122 1.00 0.00 H new ATOM 0 HA SER A 79 -3.223 8.483 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.024 6.520 11.690 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.327 6.952 11.631 1.00 0.00 H new ATOM 0 HG SER A 79 -2.492 8.184 13.214 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.975 9.529 9.463 1.00 0.00 N ATOM 1199 CA PHE A 80 0.250 10.154 8.978 1.00 0.00 C ATOM 1200 C PHE A 80 1.367 10.033 10.010 1.00 0.00 C ATOM 1201 O PHE A 80 2.548 10.158 9.682 1.00 0.00 O ATOM 1202 CB PHE A 80 0.001 11.627 8.649 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.521 11.851 7.259 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.780 11.402 6.896 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.248 12.512 6.314 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.262 11.606 5.617 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.229 12.719 5.033 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.486 12.266 4.685 1.00 0.00 C ATOM 0 H PHE A 80 -1.668 10.184 9.824 1.00 0.00 H new ATOM 0 HA PHE A 80 0.559 9.634 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.711 12.036 9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.932 12.181 8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.392 10.886 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.231 12.870 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.245 11.249 5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.381 13.234 4.306 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.862 12.428 3.685 1.00 0.00 H new ATOM 1218 N THR A 81 0.987 9.790 11.261 1.00 0.00 N ATOM 1219 CA THR A 81 1.954 9.655 12.342 1.00 0.00 C ATOM 1220 C THR A 81 1.967 8.233 12.893 1.00 0.00 C ATOM 1221 O THR A 81 0.997 7.486 12.770 1.00 0.00 O ATOM 1222 CB THR A 81 1.655 10.636 13.490 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.243 10.710 13.716 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.196 12.022 13.173 1.00 0.00 C ATOM 0 H THR A 81 0.015 9.683 11.550 1.00 0.00 H new ATOM 0 HA THR A 81 2.932 9.888 11.922 1.00 0.00 H new ATOM 0 HB THR A 81 2.148 10.268 14.390 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.061 11.335 14.449 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.973 12.697 13.999 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.275 11.968 13.031 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.728 12.396 12.262 1.00 0.00 H new ATOM 1232 N PRO A 82 3.091 7.850 13.517 1.00 0.00 N ATOM 1233 CA PRO A 82 3.256 6.515 14.101 1.00 0.00 C ATOM 1234 C PRO A 82 2.385 6.311 15.335 1.00 0.00 C ATOM 1235 O PRO A 82 2.134 7.249 16.093 1.00 0.00 O ATOM 1236 CB PRO A 82 4.738 6.475 14.480 1.00 0.00 C ATOM 1237 CG PRO A 82 5.119 7.902 14.675 1.00 0.00 C ATOM 1238 CD PRO A 82 4.287 8.689 13.700 1.00 0.00 C ATOM 0 HA PRO A 82 2.957 5.727 13.409 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.898 5.895 15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.335 6.010 13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.926 8.221 15.699 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.183 8.051 14.490 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.031 9.673 14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.814 8.848 12.759 1.00 0.00 H new ATOM 1246 N LYS A 83 1.925 5.080 15.533 1.00 0.00 N ATOM 1247 CA LYS A 83 1.083 4.752 16.677 1.00 0.00 C ATOM 1248 C LYS A 83 1.797 3.787 17.619 1.00 0.00 C ATOM 1249 O LYS A 83 1.170 2.922 18.228 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.237 4.137 16.205 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.032 5.041 15.279 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.524 4.776 15.386 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.870 3.359 14.955 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.331 3.192 14.720 1.00 0.00 N ATOM 0 H LYS A 83 2.122 4.293 14.915 1.00 0.00 H new ATOM 0 HA LYS A 83 0.874 5.674 17.219 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.028 3.199 15.692 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.847 3.895 17.075 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.828 6.083 15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.707 4.886 14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.850 4.935 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.067 5.489 14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.325 3.113 14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.543 2.656 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.526 2.213 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.850 3.402 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.639 3.845 13.971 1.00 0.00 H new