USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 28 MET CE :methyl -133:sc= -2.59 (180deg=-3.03!) USER MOD Set 1.2: A 33 SER OG : rot -140:sc= -1.23 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.79 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 139:sc= 0.129 USER MOD Single : A 16 ASN : amide:sc= 0.00137 X(o=0.0014,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.953 (180deg=-1.51) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.08) USER MOD Single : A 44 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.49) USER MOD Single : A 45 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.5!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -3:sc= -6.41! USER MOD Single : A 51 TYR OH : rot -130:sc= -2.79 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.0217 USER MOD Single : A 61 THR OG1 : rot -130:sc= -1.18 USER MOD Single : A 65 THR OG1 : rot -119:sc= -6.08! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.487 -5.549 0.505 1.00 0.00 N ATOM 74 CA THR A 9 11.695 -4.342 0.339 1.00 0.00 C ATOM 75 C THR A 9 10.336 -4.678 -0.279 1.00 0.00 C ATOM 76 O THR A 9 10.085 -5.823 -0.652 1.00 0.00 O ATOM 77 CB THR A 9 12.512 -3.351 -0.492 1.00 0.00 C ATOM 78 OG1 THR A 9 13.230 -4.174 -1.407 1.00 0.00 O ATOM 79 CG2 THR A 9 13.605 -2.662 0.327 1.00 0.00 C ATOM 0 HA THR A 9 11.475 -3.878 1.300 1.00 0.00 H new ATOM 0 HB THR A 9 11.847 -2.598 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.457 -5.023 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.155 -1.969 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.150 -2.113 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.290 -3.412 0.724 1.00 0.00 H new ATOM 87 N VAL A 10 9.494 -3.659 -0.368 1.00 0.00 N ATOM 88 CA VAL A 10 8.167 -3.831 -0.934 1.00 0.00 C ATOM 89 C VAL A 10 7.816 -2.606 -1.781 1.00 0.00 C ATOM 90 O VAL A 10 8.202 -1.486 -1.449 1.00 0.00 O ATOM 91 CB VAL A 10 7.154 -4.099 0.180 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.740 -3.712 -0.260 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.208 -5.559 0.631 1.00 0.00 C ATOM 0 H VAL A 10 9.705 -2.711 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 10 8.142 -4.699 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 10 7.422 -3.476 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.039 -3.913 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.714 -2.651 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.459 -4.297 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.478 -5.722 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.979 -6.209 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.206 -5.788 1.004 1.00 0.00 H new ATOM 103 N LYS A 11 7.087 -2.860 -2.858 1.00 0.00 N ATOM 104 CA LYS A 11 6.679 -1.792 -3.755 1.00 0.00 C ATOM 105 C LYS A 11 5.298 -1.282 -3.338 1.00 0.00 C ATOM 106 O LYS A 11 4.367 -2.068 -3.171 1.00 0.00 O ATOM 107 CB LYS A 11 6.749 -2.258 -5.210 1.00 0.00 C ATOM 108 CG LYS A 11 8.200 -2.343 -5.690 1.00 0.00 C ATOM 109 CD LYS A 11 8.396 -3.528 -6.638 1.00 0.00 C ATOM 110 CE LYS A 11 9.817 -4.085 -6.532 1.00 0.00 C ATOM 111 NZ LYS A 11 10.301 -4.523 -7.860 1.00 0.00 N ATOM 0 H LYS A 11 6.768 -3.790 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 11 7.366 -0.949 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.273 -3.234 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.192 -1.568 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.474 -1.418 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.865 -2.445 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.676 -4.311 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.200 -3.214 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.484 -3.323 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.834 -4.924 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.267 -4.898 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.674 -5.265 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.303 -3.714 -8.513 1.00 0.00 H new ATOM 125 N VAL A 12 5.209 0.031 -3.183 1.00 0.00 N ATOM 126 CA VAL A 12 3.958 0.655 -2.789 1.00 0.00 C ATOM 127 C VAL A 12 3.460 1.551 -3.925 1.00 0.00 C ATOM 128 O VAL A 12 4.095 2.551 -4.256 1.00 0.00 O ATOM 129 CB VAL A 12 4.141 1.409 -1.470 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.982 2.377 -1.227 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.298 0.436 -0.300 1.00 0.00 C ATOM 0 H VAL A 12 5.983 0.680 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 12 3.194 -0.102 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 12 5.057 1.995 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.137 2.900 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.936 3.101 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.046 1.820 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.427 0.997 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.408 -0.189 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.171 -0.195 -0.466 1.00 0.00 H new ATOM 141 N TYR A 13 2.328 1.159 -4.492 1.00 0.00 N ATOM 142 CA TYR A 13 1.738 1.914 -5.585 1.00 0.00 C ATOM 143 C TYR A 13 0.824 3.020 -5.055 1.00 0.00 C ATOM 144 O TYR A 13 -0.197 2.740 -4.429 1.00 0.00 O ATOM 145 CB TYR A 13 0.899 0.914 -6.383 1.00 0.00 C ATOM 146 CG TYR A 13 1.717 0.032 -7.329 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.528 0.610 -8.284 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.643 -1.343 -7.228 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.297 -0.220 -9.175 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.412 -2.173 -8.118 1.00 0.00 C ATOM 151 CZ TYR A 13 3.201 -1.570 -9.047 1.00 0.00 C ATOM 152 OH TYR A 13 3.928 -2.355 -9.888 1.00 0.00 O ATOM 0 H TYR A 13 1.804 0.329 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 13 2.513 2.385 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.354 0.276 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.156 1.460 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.586 1.686 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.008 -1.796 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.935 0.220 -9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.363 -3.250 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 13 4.302 -3.111 -9.389 1.00 0.00 H new ATOM 162 N LEU A 14 1.223 4.254 -5.326 1.00 0.00 N ATOM 163 CA LEU A 14 0.452 5.404 -4.885 1.00 0.00 C ATOM 164 C LEU A 14 -0.570 5.772 -5.963 1.00 0.00 C ATOM 165 O LEU A 14 -0.401 5.419 -7.129 1.00 0.00 O ATOM 166 CB LEU A 14 1.382 6.556 -4.500 1.00 0.00 C ATOM 167 CG LEU A 14 1.904 6.545 -3.062 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.169 7.396 -2.931 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.815 6.982 -2.080 1.00 0.00 C ATOM 0 H LEU A 14 2.070 4.483 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.110 5.163 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.237 6.548 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.853 7.495 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 14 2.177 5.521 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.519 7.371 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.944 6.999 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.946 8.425 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.212 6.965 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.488 7.993 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.032 6.300 -2.149 1.00 0.00 H new ATOM 181 N PRO A 15 -1.634 6.495 -5.523 1.00 0.00 N ATOM 182 CA PRO A 15 -2.683 6.914 -6.437 1.00 0.00 C ATOM 183 C PRO A 15 -2.213 8.076 -7.315 1.00 0.00 C ATOM 184 O PRO A 15 -2.601 9.222 -7.095 1.00 0.00 O ATOM 185 CB PRO A 15 -3.858 7.281 -5.546 1.00 0.00 C ATOM 186 CG PRO A 15 -3.277 7.498 -4.158 1.00 0.00 C ATOM 187 CD PRO A 15 -1.867 6.930 -4.149 1.00 0.00 C ATOM 0 HA PRO A 15 -2.964 6.131 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.355 8.182 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.604 6.487 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.262 8.560 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.892 7.005 -3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.139 7.682 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.780 6.098 -3.450 1.00 0.00 H new ATOM 195 N ASN A 16 -1.384 7.739 -8.292 1.00 0.00 N ATOM 196 CA ASN A 16 -0.857 8.740 -9.204 1.00 0.00 C ATOM 197 C ASN A 16 0.216 8.102 -10.089 1.00 0.00 C ATOM 198 O ASN A 16 1.266 8.698 -10.325 1.00 0.00 O ATOM 199 CB ASN A 16 -0.211 9.897 -8.439 1.00 0.00 C ATOM 200 CG ASN A 16 -0.606 11.244 -9.047 1.00 0.00 C ATOM 201 OD1 ASN A 16 -1.568 11.879 -8.645 1.00 0.00 O ATOM 202 ND2 ASN A 16 0.188 11.645 -10.036 1.00 0.00 N ATOM 0 H ASN A 16 -1.064 6.787 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.685 9.121 -9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.517 9.862 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.874 9.790 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.008 12.532 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.977 11.066 -10.324 1.00 0.00 H new ATOM 209 N LYS A 17 -0.086 6.900 -10.556 1.00 0.00 N ATOM 210 CA LYS A 17 0.839 6.175 -11.410 1.00 0.00 C ATOM 211 C LYS A 17 2.245 6.245 -10.809 1.00 0.00 C ATOM 212 O LYS A 17 3.237 6.139 -11.527 1.00 0.00 O ATOM 213 CB LYS A 17 0.759 6.693 -12.848 1.00 0.00 C ATOM 214 CG LYS A 17 -0.500 6.176 -13.547 1.00 0.00 C ATOM 215 CD LYS A 17 -0.400 6.363 -15.063 1.00 0.00 C ATOM 216 CE LYS A 17 -1.565 7.204 -15.589 1.00 0.00 C ATOM 217 NZ LYS A 17 -1.537 7.260 -17.068 1.00 0.00 N ATOM 0 H LYS A 17 -0.958 6.410 -10.359 1.00 0.00 H new ATOM 0 HA LYS A 17 0.565 5.121 -11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.757 7.783 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.643 6.377 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.642 5.120 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.374 6.705 -13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.544 6.847 -15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.398 5.390 -15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.510 6.777 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.507 8.213 -15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.334 7.834 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.643 7.688 -17.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.615 6.297 -17.453 1.00 0.00 H new ATOM 231 N GLN A 18 2.283 6.424 -9.497 1.00 0.00 N ATOM 232 CA GLN A 18 3.550 6.510 -8.790 1.00 0.00 C ATOM 233 C GLN A 18 3.728 5.301 -7.870 1.00 0.00 C ATOM 234 O GLN A 18 2.752 4.652 -7.497 1.00 0.00 O ATOM 235 CB GLN A 18 3.651 7.818 -8.003 1.00 0.00 C ATOM 236 CG GLN A 18 4.175 8.951 -8.888 1.00 0.00 C ATOM 237 CD GLN A 18 5.124 9.863 -8.106 1.00 0.00 C ATOM 238 OE1 GLN A 18 4.752 10.505 -7.138 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.366 9.884 -8.580 1.00 0.00 N ATOM 0 H GLN A 18 1.457 6.512 -8.905 1.00 0.00 H new ATOM 0 HA GLN A 18 4.355 6.504 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.671 8.085 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.314 7.682 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.695 8.533 -9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.338 9.534 -9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.610 9.322 -9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.074 10.462 -8.129 1.00 0.00 H new ATOM 248 N ARG A 19 4.980 5.035 -7.530 1.00 0.00 N ATOM 249 CA ARG A 19 5.298 3.916 -6.660 1.00 0.00 C ATOM 250 C ARG A 19 6.505 4.252 -5.782 1.00 0.00 C ATOM 251 O ARG A 19 7.358 5.048 -6.171 1.00 0.00 O ATOM 252 CB ARG A 19 5.603 2.656 -7.473 1.00 0.00 C ATOM 253 CG ARG A 19 6.722 2.913 -8.484 1.00 0.00 C ATOM 254 CD ARG A 19 6.174 3.564 -9.755 1.00 0.00 C ATOM 255 NE ARG A 19 7.022 4.715 -10.140 1.00 0.00 N ATOM 256 CZ ARG A 19 8.227 4.601 -10.715 1.00 0.00 C ATOM 257 NH1 ARG A 19 8.733 3.388 -10.975 1.00 0.00 N ATOM 258 NH2 ARG A 19 8.925 5.700 -11.030 1.00 0.00 N ATOM 0 H ARG A 19 5.787 5.576 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 19 4.428 3.728 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.893 1.847 -6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.704 2.330 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.479 3.558 -8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.213 1.973 -8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.147 2.835 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.149 3.896 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 19 6.667 5.653 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.201 2.551 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.650 3.301 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.539 6.623 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.842 5.614 -11.468 1.00 0.00 H new ATOM 272 N THR A 20 6.538 3.628 -4.613 1.00 0.00 N ATOM 273 CA THR A 20 7.627 3.851 -3.677 1.00 0.00 C ATOM 274 C THR A 20 8.030 2.537 -3.005 1.00 0.00 C ATOM 275 O THR A 20 7.173 1.775 -2.559 1.00 0.00 O ATOM 276 CB THR A 20 7.184 4.929 -2.686 1.00 0.00 C ATOM 277 OG1 THR A 20 8.402 5.391 -2.107 1.00 0.00 O ATOM 278 CG2 THR A 20 6.405 4.353 -1.502 1.00 0.00 C ATOM 0 H THR A 20 5.829 2.969 -4.293 1.00 0.00 H new ATOM 0 HA THR A 20 8.522 4.206 -4.188 1.00 0.00 H new ATOM 0 HB THR A 20 6.567 5.664 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.207 6.094 -1.453 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.115 5.161 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.512 3.846 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.033 3.642 -0.965 1.00 0.00 H new ATOM 286 N VAL A 21 9.334 2.312 -2.952 1.00 0.00 N ATOM 287 CA VAL A 21 9.861 1.103 -2.342 1.00 0.00 C ATOM 288 C VAL A 21 10.073 1.343 -0.846 1.00 0.00 C ATOM 289 O VAL A 21 10.612 2.375 -0.449 1.00 0.00 O ATOM 290 CB VAL A 21 11.137 0.666 -3.064 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.487 -0.786 -2.730 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.008 0.865 -4.576 1.00 0.00 C ATOM 0 H VAL A 21 10.042 2.947 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 21 9.150 0.283 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 21 11.953 1.297 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.398 -1.071 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.643 -0.885 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.670 -1.438 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.929 0.547 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.174 0.272 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.829 1.919 -4.790 1.00 0.00 H new ATOM 302 N VAL A 22 9.637 0.372 -0.056 1.00 0.00 N ATOM 303 CA VAL A 22 9.773 0.465 1.388 1.00 0.00 C ATOM 304 C VAL A 22 10.473 -0.790 1.911 1.00 0.00 C ATOM 305 O VAL A 22 10.607 -1.778 1.190 1.00 0.00 O ATOM 306 CB VAL A 22 8.402 0.696 2.028 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.529 0.891 3.540 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.688 1.883 1.380 1.00 0.00 C ATOM 0 H VAL A 22 9.190 -0.482 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 22 10.392 1.320 1.660 1.00 0.00 H new ATOM 0 HB VAL A 22 7.797 -0.194 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.541 1.053 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.977 0.003 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.160 1.756 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.716 2.026 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.289 2.783 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.549 1.688 0.317 1.00 0.00 H new ATOM 318 N THR A 23 10.901 -0.712 3.163 1.00 0.00 N ATOM 319 CA THR A 23 11.585 -1.829 3.792 1.00 0.00 C ATOM 320 C THR A 23 10.573 -2.782 4.431 1.00 0.00 C ATOM 321 O THR A 23 9.512 -2.354 4.883 1.00 0.00 O ATOM 322 CB THR A 23 12.599 -1.263 4.787 1.00 0.00 C ATOM 323 OG1 THR A 23 13.400 -0.382 4.004 1.00 0.00 O ATOM 324 CG2 THR A 23 13.586 -2.322 5.283 1.00 0.00 C ATOM 0 H THR A 23 10.787 0.108 3.759 1.00 0.00 H new ATOM 0 HA THR A 23 12.127 -2.425 3.058 1.00 0.00 H new ATOM 0 HB THR A 23 12.071 -0.832 5.637 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.084 0.030 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.284 -1.868 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.040 -3.124 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.138 -2.730 4.436 1.00 0.00 H new ATOM 332 N VAL A 24 10.936 -4.056 4.448 1.00 0.00 N ATOM 333 CA VAL A 24 10.073 -5.073 5.024 1.00 0.00 C ATOM 334 C VAL A 24 10.439 -5.271 6.497 1.00 0.00 C ATOM 335 O VAL A 24 11.502 -5.803 6.810 1.00 0.00 O ATOM 336 CB VAL A 24 10.166 -6.363 4.207 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.966 -7.272 4.479 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.294 -6.057 2.713 1.00 0.00 C ATOM 0 H VAL A 24 11.817 -4.407 4.072 1.00 0.00 H new ATOM 0 HA VAL A 24 9.031 -4.755 4.987 1.00 0.00 H new ATOM 0 HB VAL A 24 11.066 -6.893 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.057 -8.182 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.938 -7.530 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.047 -6.752 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.358 -6.991 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.421 -5.495 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.194 -5.467 2.538 1.00 0.00 H new ATOM 348 N ARG A 25 9.536 -4.832 7.362 1.00 0.00 N ATOM 349 CA ARG A 25 9.750 -4.955 8.794 1.00 0.00 C ATOM 350 C ARG A 25 8.715 -5.900 9.406 1.00 0.00 C ATOM 351 O ARG A 25 7.981 -6.574 8.685 1.00 0.00 O ATOM 352 CB ARG A 25 9.658 -3.592 9.483 1.00 0.00 C ATOM 353 CG ARG A 25 10.560 -2.566 8.794 1.00 0.00 C ATOM 354 CD ARG A 25 11.308 -1.715 9.822 1.00 0.00 C ATOM 355 NE ARG A 25 12.382 -0.945 9.156 1.00 0.00 N ATOM 356 CZ ARG A 25 12.171 0.150 8.412 1.00 0.00 C ATOM 357 NH1 ARG A 25 10.924 0.610 8.236 1.00 0.00 N ATOM 358 NH2 ARG A 25 13.206 0.785 7.846 1.00 0.00 N ATOM 0 H ARG A 25 8.655 -4.391 7.099 1.00 0.00 H new ATOM 0 HA ARG A 25 10.751 -5.360 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.626 -3.242 9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.946 -3.690 10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.276 -3.079 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.960 -1.922 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.615 -1.035 10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.734 -2.355 10.595 1.00 0.00 H new ATOM 0 HE ARG A 25 13.343 -1.268 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.136 0.127 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.763 1.443 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.155 0.435 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.045 1.618 7.280 1.00 0.00 H new ATOM 372 N ASP A 26 8.688 -5.919 10.731 1.00 0.00 N ATOM 373 CA ASP A 26 7.754 -6.770 11.449 1.00 0.00 C ATOM 374 C ASP A 26 7.061 -5.952 12.540 1.00 0.00 C ATOM 375 O ASP A 26 5.837 -5.981 12.659 1.00 0.00 O ATOM 376 CB ASP A 26 8.479 -7.938 12.121 1.00 0.00 C ATOM 377 CG ASP A 26 9.934 -7.662 12.504 1.00 0.00 C ATOM 378 OD1 ASP A 26 10.251 -6.470 12.709 1.00 0.00 O ATOM 379 OD2 ASP A 26 10.697 -8.649 12.582 1.00 0.00 O ATOM 0 H ASP A 26 9.298 -5.359 11.326 1.00 0.00 H new ATOM 0 HA ASP A 26 7.031 -7.159 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.929 -8.218 13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.452 -8.797 11.450 1.00 0.00 H new ATOM 384 N GLY A 27 7.874 -5.243 13.310 1.00 0.00 N ATOM 385 CA GLY A 27 7.354 -4.418 14.387 1.00 0.00 C ATOM 386 C GLY A 27 6.271 -3.466 13.876 1.00 0.00 C ATOM 387 O GLY A 27 5.087 -3.665 14.143 1.00 0.00 O ATOM 0 H GLY A 27 8.889 -5.223 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.943 -5.054 15.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.166 -3.844 14.834 1.00 0.00 H new ATOM 391 N MET A 28 6.716 -2.451 13.150 1.00 0.00 N ATOM 392 CA MET A 28 5.800 -1.467 12.599 1.00 0.00 C ATOM 393 C MET A 28 4.550 -2.140 12.029 1.00 0.00 C ATOM 394 O MET A 28 4.529 -3.354 11.832 1.00 0.00 O ATOM 395 CB MET A 28 6.504 -0.677 11.493 1.00 0.00 C ATOM 396 CG MET A 28 6.497 -1.454 10.175 1.00 0.00 C ATOM 397 SD MET A 28 7.794 -0.854 9.106 1.00 0.00 S ATOM 398 CE MET A 28 7.080 0.700 8.595 1.00 0.00 C ATOM 0 H MET A 28 7.699 -2.289 12.931 1.00 0.00 H new ATOM 0 HA MET A 28 5.494 -0.794 13.400 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.008 0.284 11.355 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.531 -0.466 11.789 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.637 -2.517 10.369 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.530 -1.345 9.684 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.176 0.807 7.515 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.025 0.724 8.869 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.602 1.520 9.089 1.00 0.00 H new ATOM 408 N SER A 29 3.537 -1.322 11.781 1.00 0.00 N ATOM 409 CA SER A 29 2.286 -1.823 11.238 1.00 0.00 C ATOM 410 C SER A 29 2.106 -1.333 9.800 1.00 0.00 C ATOM 411 O SER A 29 2.999 -0.699 9.240 1.00 0.00 O ATOM 412 CB SER A 29 1.099 -1.390 12.099 1.00 0.00 C ATOM 413 OG SER A 29 1.245 -1.800 13.456 1.00 0.00 O ATOM 0 H SER A 29 3.558 -0.316 11.946 1.00 0.00 H new ATOM 0 HA SER A 29 2.324 -2.912 11.242 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.997 -0.306 12.057 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.181 -1.812 11.690 1.00 0.00 H new ATOM 0 HG SER A 29 0.467 -1.503 13.973 1.00 0.00 H new ATOM 419 N VAL A 30 0.945 -1.645 9.243 1.00 0.00 N ATOM 420 CA VAL A 30 0.636 -1.243 7.881 1.00 0.00 C ATOM 421 C VAL A 30 0.500 0.279 7.821 1.00 0.00 C ATOM 422 O VAL A 30 1.040 0.920 6.920 1.00 0.00 O ATOM 423 CB VAL A 30 -0.615 -1.975 7.391 1.00 0.00 C ATOM 424 CG1 VAL A 30 -1.140 -1.355 6.095 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.341 -3.470 7.212 1.00 0.00 C ATOM 0 H VAL A 30 0.207 -2.172 9.710 1.00 0.00 H new ATOM 0 HA VAL A 30 1.446 -1.523 7.207 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.387 -1.865 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.029 -1.894 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.393 -0.309 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.373 -1.420 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.246 -3.967 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.454 -3.609 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.035 -3.901 8.166 1.00 0.00 H new ATOM 435 N TYR A 31 -0.225 0.815 8.792 1.00 0.00 N ATOM 436 CA TYR A 31 -0.439 2.251 8.861 1.00 0.00 C ATOM 437 C TYR A 31 0.891 2.999 8.966 1.00 0.00 C ATOM 438 O TYR A 31 1.147 3.927 8.200 1.00 0.00 O ATOM 439 CB TYR A 31 -1.250 2.496 10.135 1.00 0.00 C ATOM 440 CG TYR A 31 -1.273 3.957 10.587 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.210 4.477 11.297 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.357 4.756 10.284 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.232 5.853 11.722 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.379 6.132 10.709 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.315 6.612 11.407 1.00 0.00 C ATOM 446 OH TYR A 31 -1.336 7.911 11.809 1.00 0.00 O ATOM 0 H TYR A 31 -0.672 0.281 9.537 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.949 2.606 7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.274 2.161 9.971 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.839 1.884 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.638 3.852 11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.189 4.349 9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.593 6.272 12.278 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.221 6.768 10.479 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.170 8.332 11.513 1.00 0.00 H new ATOM 456 N ASP A 32 1.703 2.568 9.920 1.00 0.00 N ATOM 457 CA ASP A 32 3.000 3.186 10.134 1.00 0.00 C ATOM 458 C ASP A 32 3.850 3.031 8.871 1.00 0.00 C ATOM 459 O ASP A 32 4.694 3.876 8.579 1.00 0.00 O ATOM 460 CB ASP A 32 3.746 2.515 11.290 1.00 0.00 C ATOM 461 CG ASP A 32 3.120 2.723 12.671 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.234 1.915 13.020 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.543 3.687 13.345 1.00 0.00 O ATOM 0 H ASP A 32 1.488 1.798 10.553 1.00 0.00 H new ATOM 0 HA ASP A 32 2.837 4.237 10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.805 1.445 11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.768 2.892 11.311 1.00 0.00 H new ATOM 468 N SER A 33 3.596 1.944 8.156 1.00 0.00 N ATOM 469 CA SER A 33 4.327 1.668 6.931 1.00 0.00 C ATOM 470 C SER A 33 3.840 2.590 5.812 1.00 0.00 C ATOM 471 O SER A 33 4.636 3.296 5.194 1.00 0.00 O ATOM 472 CB SER A 33 4.172 0.203 6.516 1.00 0.00 C ATOM 473 OG SER A 33 5.314 -0.574 6.867 1.00 0.00 O ATOM 0 H SER A 33 2.895 1.245 8.402 1.00 0.00 H new ATOM 0 HA SER A 33 5.385 1.857 7.114 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.287 -0.217 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.011 0.146 5.439 1.00 0.00 H new ATOM 0 HG SER A 33 5.515 -1.205 6.145 1.00 0.00 H new ATOM 479 N LEU A 34 2.535 2.555 5.584 1.00 0.00 N ATOM 480 CA LEU A 34 1.933 3.379 4.550 1.00 0.00 C ATOM 481 C LEU A 34 1.681 4.783 5.105 1.00 0.00 C ATOM 482 O LEU A 34 1.000 5.590 4.475 1.00 0.00 O ATOM 483 CB LEU A 34 0.679 2.705 3.991 1.00 0.00 C ATOM 484 CG LEU A 34 0.897 1.755 2.812 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.530 2.487 1.627 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.717 0.534 3.236 1.00 0.00 C ATOM 0 H LEU A 34 1.878 1.968 6.098 1.00 0.00 H new ATOM 0 HA LEU A 34 2.613 3.487 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.200 2.148 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.020 3.482 3.681 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.076 1.391 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.674 1.789 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.874 3.296 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.494 2.899 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.858 -0.125 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.689 0.859 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.189 -0.003 4.024 1.00 0.00 H new ATOM 498 N ASP A 35 2.245 5.030 6.278 1.00 0.00 N ATOM 499 CA ASP A 35 2.090 6.322 6.925 1.00 0.00 C ATOM 500 C ASP A 35 2.760 7.399 6.069 1.00 0.00 C ATOM 501 O ASP A 35 2.132 8.397 5.717 1.00 0.00 O ATOM 502 CB ASP A 35 2.755 6.332 8.303 1.00 0.00 C ATOM 503 CG ASP A 35 2.958 7.720 8.913 1.00 0.00 C ATOM 504 OD1 ASP A 35 2.210 8.634 8.505 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.857 7.835 9.774 1.00 0.00 O ATOM 0 H ASP A 35 2.810 4.358 6.797 1.00 0.00 H new ATOM 0 HA ASP A 35 1.024 6.517 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.150 5.736 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.725 5.840 8.225 1.00 0.00 H new ATOM 510 N LYS A 36 4.026 7.161 5.759 1.00 0.00 N ATOM 511 CA LYS A 36 4.787 8.099 4.951 1.00 0.00 C ATOM 512 C LYS A 36 4.276 8.056 3.510 1.00 0.00 C ATOM 513 O LYS A 36 3.994 9.096 2.917 1.00 0.00 O ATOM 514 CB LYS A 36 6.286 7.823 5.080 1.00 0.00 C ATOM 515 CG LYS A 36 6.816 8.292 6.437 1.00 0.00 C ATOM 516 CD LYS A 36 7.540 9.634 6.308 1.00 0.00 C ATOM 517 CE LYS A 36 6.596 10.717 5.782 1.00 0.00 C ATOM 518 NZ LYS A 36 5.584 11.065 6.805 1.00 0.00 N ATOM 0 H LYS A 36 4.544 6.333 6.053 1.00 0.00 H new ATOM 0 HA LYS A 36 4.641 9.117 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.474 6.756 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.823 8.332 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.990 8.387 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.497 7.545 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.937 9.932 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.391 9.529 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.167 11.605 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.101 10.367 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.096 11.940 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.892 10.293 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.052 11.206 7.723 1.00 0.00 H new ATOM 532 N ALA A 37 4.172 6.843 2.989 1.00 0.00 N ATOM 533 CA ALA A 37 3.699 6.651 1.628 1.00 0.00 C ATOM 534 C ALA A 37 2.548 7.620 1.351 1.00 0.00 C ATOM 535 O ALA A 37 2.400 8.110 0.233 1.00 0.00 O ATOM 536 CB ALA A 37 3.292 5.189 1.430 1.00 0.00 C ATOM 0 H ALA A 37 4.407 5.983 3.484 1.00 0.00 H new ATOM 0 HA ALA A 37 4.492 6.868 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.937 5.045 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.152 4.544 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.496 4.935 2.130 1.00 0.00 H new ATOM 542 N LEU A 38 1.763 7.867 2.389 1.00 0.00 N ATOM 543 CA LEU A 38 0.629 8.769 2.271 1.00 0.00 C ATOM 544 C LEU A 38 1.080 10.193 2.602 1.00 0.00 C ATOM 545 O LEU A 38 1.051 11.073 1.743 1.00 0.00 O ATOM 546 CB LEU A 38 -0.538 8.278 3.130 1.00 0.00 C ATOM 547 CG LEU A 38 -1.149 6.935 2.726 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.410 6.639 3.541 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.415 6.885 1.220 1.00 0.00 C ATOM 0 H LEU A 38 1.889 7.459 3.315 1.00 0.00 H new ATOM 0 HA LEU A 38 0.257 8.782 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.197 8.204 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.323 9.034 3.107 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.428 6.150 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.824 5.679 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.158 6.603 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.147 7.424 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.849 5.920 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.108 7.681 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.477 7.019 0.680 1.00 0.00 H new ATOM 561 N LYS A 39 1.485 10.376 3.851 1.00 0.00 N ATOM 562 CA LYS A 39 1.941 11.679 4.306 1.00 0.00 C ATOM 563 C LYS A 39 2.772 12.337 3.203 1.00 0.00 C ATOM 564 O LYS A 39 2.478 13.456 2.784 1.00 0.00 O ATOM 565 CB LYS A 39 2.680 11.552 5.640 1.00 0.00 C ATOM 566 CG LYS A 39 1.699 11.306 6.788 1.00 0.00 C ATOM 567 CD LYS A 39 1.994 12.235 7.968 1.00 0.00 C ATOM 568 CE LYS A 39 1.162 11.847 9.192 1.00 0.00 C ATOM 569 NZ LYS A 39 1.873 10.834 10.003 1.00 0.00 N ATOM 0 H LYS A 39 1.507 9.644 4.561 1.00 0.00 H new ATOM 0 HA LYS A 39 1.092 12.334 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.396 10.732 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.250 12.461 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.679 11.466 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.766 10.267 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.055 12.189 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.776 13.266 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.962 12.731 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.197 11.454 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.213 10.410 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.250 10.092 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.657 11.287 10.515 1.00 0.00 H new ATOM 583 N VAL A 40 3.793 11.616 2.765 1.00 0.00 N ATOM 584 CA VAL A 40 4.669 12.117 1.719 1.00 0.00 C ATOM 585 C VAL A 40 3.833 12.850 0.668 1.00 0.00 C ATOM 586 O VAL A 40 4.206 13.933 0.218 1.00 0.00 O ATOM 587 CB VAL A 40 5.493 10.968 1.132 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.609 10.018 0.321 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.649 11.501 0.283 1.00 0.00 C ATOM 0 H VAL A 40 4.034 10.689 3.115 1.00 0.00 H new ATOM 0 HA VAL A 40 5.381 12.835 2.127 1.00 0.00 H new ATOM 0 HB VAL A 40 5.919 10.403 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.219 9.211 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.837 9.600 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.141 10.566 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.219 10.665 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.252 12.101 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.301 12.118 0.902 1.00 0.00 H new ATOM 599 N ARG A 41 2.719 12.232 0.307 1.00 0.00 N ATOM 600 CA ARG A 41 1.827 12.813 -0.682 1.00 0.00 C ATOM 601 C ARG A 41 0.830 13.758 -0.009 1.00 0.00 C ATOM 602 O ARG A 41 0.387 14.732 -0.614 1.00 0.00 O ATOM 603 CB ARG A 41 1.059 11.726 -1.437 1.00 0.00 C ATOM 604 CG ARG A 41 2.003 10.887 -2.301 1.00 0.00 C ATOM 605 CD ARG A 41 1.289 10.372 -3.552 1.00 0.00 C ATOM 606 NE ARG A 41 0.790 11.511 -4.355 1.00 0.00 N ATOM 607 CZ ARG A 41 -0.462 11.984 -4.291 1.00 0.00 C ATOM 608 NH1 ARG A 41 -1.350 11.420 -3.460 1.00 0.00 N ATOM 609 NH2 ARG A 41 -0.826 13.022 -5.057 1.00 0.00 N ATOM 0 H ARG A 41 2.413 11.334 0.682 1.00 0.00 H new ATOM 0 HA ARG A 41 2.438 13.370 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.541 11.082 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.296 12.185 -2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.866 11.487 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.381 10.045 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.973 9.768 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.459 9.726 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 41 1.440 11.964 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.073 10.631 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.303 11.780 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.150 13.452 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.779 13.382 -5.008 1.00 0.00 H new ATOM 623 N GLY A 42 0.507 13.436 1.235 1.00 0.00 N ATOM 624 CA GLY A 42 -0.430 14.244 1.998 1.00 0.00 C ATOM 625 C GLY A 42 -1.783 13.541 2.126 1.00 0.00 C ATOM 626 O GLY A 42 -2.764 14.148 2.554 1.00 0.00 O ATOM 0 H GLY A 42 0.877 12.627 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.023 14.440 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.563 15.210 1.511 1.00 0.00 H new ATOM 630 N LEU A 43 -1.792 12.272 1.748 1.00 0.00 N ATOM 631 CA LEU A 43 -3.008 11.480 1.815 1.00 0.00 C ATOM 632 C LEU A 43 -3.415 11.300 3.279 1.00 0.00 C ATOM 633 O LEU A 43 -2.761 11.828 4.178 1.00 0.00 O ATOM 634 CB LEU A 43 -2.831 10.161 1.060 1.00 0.00 C ATOM 635 CG LEU A 43 -2.944 10.240 -0.464 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.304 9.018 -1.125 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.399 10.429 -0.897 1.00 0.00 C ATOM 0 H LEU A 43 -0.976 11.772 1.394 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.827 11.998 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.853 9.750 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.577 9.454 1.424 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.391 11.116 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.398 9.099 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.249 8.969 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.808 8.114 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.451 10.482 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.995 9.587 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.789 11.353 -0.470 1.00 0.00 H new ATOM 649 N ASN A 44 -4.492 10.554 3.474 1.00 0.00 N ATOM 650 CA ASN A 44 -4.993 10.298 4.814 1.00 0.00 C ATOM 651 C ASN A 44 -5.380 8.823 4.936 1.00 0.00 C ATOM 652 O ASN A 44 -5.735 8.187 3.945 1.00 0.00 O ATOM 653 CB ASN A 44 -6.237 11.139 5.107 1.00 0.00 C ATOM 654 CG ASN A 44 -6.380 11.403 6.607 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.143 12.495 7.097 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.779 10.344 7.306 1.00 0.00 N ATOM 0 H ASN A 44 -5.032 10.118 2.726 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.207 10.558 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.174 12.086 4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.124 10.623 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.904 10.417 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.960 9.459 6.832 1.00 0.00 H new ATOM 663 N GLN A 45 -5.299 8.322 6.160 1.00 0.00 N ATOM 664 CA GLN A 45 -5.637 6.934 6.424 1.00 0.00 C ATOM 665 C GLN A 45 -7.132 6.798 6.716 1.00 0.00 C ATOM 666 O GLN A 45 -7.527 6.073 7.629 1.00 0.00 O ATOM 667 CB GLN A 45 -4.800 6.376 7.577 1.00 0.00 C ATOM 668 CG GLN A 45 -3.365 6.093 7.127 1.00 0.00 C ATOM 669 CD GLN A 45 -2.421 7.214 7.567 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.797 8.369 7.677 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.178 6.809 7.811 1.00 0.00 N ATOM 0 H GLN A 45 -5.004 8.853 6.980 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.406 6.348 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.792 7.087 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.255 5.459 7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.029 5.144 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.334 5.991 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.931 5.826 7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.472 7.482 8.110 1.00 0.00 H new ATOM 680 N ASP A 46 -7.924 7.506 5.924 1.00 0.00 N ATOM 681 CA ASP A 46 -9.368 7.473 6.086 1.00 0.00 C ATOM 682 C ASP A 46 -10.033 7.551 4.711 1.00 0.00 C ATOM 683 O ASP A 46 -10.908 6.747 4.394 1.00 0.00 O ATOM 684 CB ASP A 46 -9.856 8.662 6.916 1.00 0.00 C ATOM 685 CG ASP A 46 -10.419 8.303 8.292 1.00 0.00 C ATOM 686 OD1 ASP A 46 -9.988 7.259 8.827 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.267 9.081 8.779 1.00 0.00 O ATOM 0 H ASP A 46 -7.593 8.106 5.168 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.629 6.546 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.027 9.357 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.626 9.188 6.351 1.00 0.00 H new ATOM 692 N CYS A 47 -9.592 8.527 3.930 1.00 0.00 N ATOM 693 CA CYS A 47 -10.134 8.721 2.596 1.00 0.00 C ATOM 694 C CYS A 47 -9.225 8.000 1.599 1.00 0.00 C ATOM 695 O CYS A 47 -9.141 8.390 0.436 1.00 0.00 O ATOM 696 CB CYS A 47 -10.289 10.205 2.258 1.00 0.00 C ATOM 697 SG CYS A 47 -11.778 10.882 3.078 1.00 0.00 S ATOM 0 H CYS A 47 -8.865 9.192 4.196 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.137 8.298 2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.405 10.754 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.368 10.334 1.179 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.899 12.143 2.786 1.00 0.00 H new ATOM 703 N CYS A 48 -8.567 6.960 2.091 1.00 0.00 N ATOM 704 CA CYS A 48 -7.667 6.182 1.258 1.00 0.00 C ATOM 705 C CYS A 48 -7.839 4.704 1.615 1.00 0.00 C ATOM 706 O CYS A 48 -8.448 4.374 2.632 1.00 0.00 O ATOM 707 CB CYS A 48 -6.215 6.640 1.412 1.00 0.00 C ATOM 708 SG CYS A 48 -6.030 8.352 0.793 1.00 0.00 S ATOM 0 H CYS A 48 -8.640 6.639 3.056 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.918 6.333 0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.918 6.589 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.554 5.972 0.861 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.164 8.763 0.307 1.00 0.00 H new ATOM 714 N VAL A 49 -7.293 3.854 0.758 1.00 0.00 N ATOM 715 CA VAL A 49 -7.379 2.419 0.970 1.00 0.00 C ATOM 716 C VAL A 49 -6.146 1.743 0.367 1.00 0.00 C ATOM 717 O VAL A 49 -5.497 2.302 -0.515 1.00 0.00 O ATOM 718 CB VAL A 49 -8.694 1.883 0.398 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.849 2.271 -1.074 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.793 0.367 0.579 1.00 0.00 C ATOM 0 H VAL A 49 -6.789 4.131 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.386 2.191 2.036 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.513 2.340 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.791 1.878 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.844 3.357 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.022 1.854 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.736 0.012 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.964 -0.116 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.749 0.124 1.641 1.00 0.00 H new ATOM 730 N VAL A 50 -5.860 0.551 0.868 1.00 0.00 N ATOM 731 CA VAL A 50 -4.716 -0.207 0.390 1.00 0.00 C ATOM 732 C VAL A 50 -5.181 -1.591 -0.066 1.00 0.00 C ATOM 733 O VAL A 50 -5.927 -2.264 0.643 1.00 0.00 O ATOM 734 CB VAL A 50 -3.637 -0.266 1.474 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.344 -0.875 0.928 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.382 1.121 2.069 1.00 0.00 C ATOM 0 H VAL A 50 -6.401 0.091 1.600 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.265 0.285 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.000 -0.912 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.594 -0.905 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.540 -1.887 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.976 -0.267 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.611 1.052 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.051 1.799 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.302 1.502 2.512 1.00 0.00 H new ATOM 746 N TYR A 51 -4.719 -1.976 -1.247 1.00 0.00 N ATOM 747 CA TYR A 51 -5.079 -3.267 -1.807 1.00 0.00 C ATOM 748 C TYR A 51 -3.863 -4.194 -1.873 1.00 0.00 C ATOM 749 O TYR A 51 -2.776 -3.771 -2.265 1.00 0.00 O ATOM 750 CB TYR A 51 -5.570 -2.990 -3.229 1.00 0.00 C ATOM 751 CG TYR A 51 -6.413 -1.719 -3.358 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.395 -1.444 -2.429 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.190 -0.847 -4.405 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.187 -0.248 -2.551 1.00 0.00 C ATOM 755 CE2 TYR A 51 -6.983 0.349 -4.528 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.942 0.589 -3.594 1.00 0.00 C ATOM 757 OH TYR A 51 -8.691 1.719 -3.710 1.00 0.00 O ATOM 0 H TYR A 51 -4.098 -1.416 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.835 -3.754 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.708 -2.911 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.159 -3.841 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.570 -2.126 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.421 -1.062 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.958 -0.021 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.820 1.039 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.042 1.787 -4.623 1.00 0.00 H new ATOM 767 N ARG A 52 -4.086 -5.440 -1.482 1.00 0.00 N ATOM 768 CA ARG A 52 -3.023 -6.430 -1.492 1.00 0.00 C ATOM 769 C ARG A 52 -3.194 -7.382 -2.677 1.00 0.00 C ATOM 770 O ARG A 52 -4.308 -7.810 -2.978 1.00 0.00 O ATOM 771 CB ARG A 52 -3.011 -7.239 -0.194 1.00 0.00 C ATOM 772 CG ARG A 52 -3.148 -6.323 1.024 1.00 0.00 C ATOM 773 CD ARG A 52 -2.219 -6.772 2.154 1.00 0.00 C ATOM 774 NE ARG A 52 -2.697 -8.051 2.725 1.00 0.00 N ATOM 775 CZ ARG A 52 -2.341 -8.515 3.931 1.00 0.00 C ATOM 776 NH1 ARG A 52 -1.501 -7.809 4.699 1.00 0.00 N ATOM 777 NH2 ARG A 52 -2.825 -9.686 4.367 1.00 0.00 N ATOM 0 H ARG A 52 -4.988 -5.787 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.076 -5.898 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.827 -7.961 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.083 -7.807 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.913 -5.297 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.181 -6.328 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.204 -6.890 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.183 -6.008 2.931 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.337 -8.615 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.132 -6.918 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.230 -8.162 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.464 -10.224 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.554 -10.040 5.285 1.00 0.00 H new ATOM 791 N LEU A 53 -2.075 -7.686 -3.318 1.00 0.00 N ATOM 792 CA LEU A 53 -2.088 -8.580 -4.464 1.00 0.00 C ATOM 793 C LEU A 53 -1.853 -10.015 -3.988 1.00 0.00 C ATOM 794 O LEU A 53 -0.710 -10.456 -3.874 1.00 0.00 O ATOM 795 CB LEU A 53 -1.086 -8.111 -5.520 1.00 0.00 C ATOM 796 CG LEU A 53 -1.657 -7.254 -6.652 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.976 -8.110 -7.880 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.873 -6.457 -6.177 1.00 0.00 C ATOM 0 H LEU A 53 -1.153 -7.329 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.063 -8.561 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.301 -7.542 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.613 -8.989 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.897 -6.532 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.380 -7.477 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.065 -8.593 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.710 -8.870 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.259 -5.857 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.647 -7.144 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.581 -5.802 -5.357 1.00 0.00 H new ATOM 810 N ILE A 54 -2.953 -10.704 -3.723 1.00 0.00 N ATOM 811 CA ILE A 54 -2.882 -12.080 -3.262 1.00 0.00 C ATOM 812 C ILE A 54 -3.129 -13.022 -4.442 1.00 0.00 C ATOM 813 O ILE A 54 -2.213 -13.704 -4.899 1.00 0.00 O ATOM 814 CB ILE A 54 -3.836 -12.302 -2.087 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.296 -11.654 -0.811 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.131 -13.791 -1.894 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.972 -10.306 -0.551 1.00 0.00 C ATOM 0 H ILE A 54 -3.899 -10.335 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.886 -12.302 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.783 -11.814 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.463 -12.318 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.219 -11.514 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.811 -13.921 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.591 -14.191 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.201 -14.323 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.570 -9.867 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.782 -9.636 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.046 -10.453 -0.440 1.00 0.00 H new ATOM 829 N LYS A 55 -4.372 -13.030 -4.901 1.00 0.00 N ATOM 830 CA LYS A 55 -4.751 -13.877 -6.019 1.00 0.00 C ATOM 831 C LYS A 55 -5.153 -12.998 -7.206 1.00 0.00 C ATOM 832 O LYS A 55 -6.217 -13.190 -7.793 1.00 0.00 O ATOM 833 CB LYS A 55 -5.835 -14.870 -5.595 1.00 0.00 C ATOM 834 CG LYS A 55 -5.259 -15.950 -4.677 1.00 0.00 C ATOM 835 CD LYS A 55 -5.139 -17.287 -5.411 1.00 0.00 C ATOM 836 CE LYS A 55 -3.891 -17.317 -6.295 1.00 0.00 C ATOM 837 NZ LYS A 55 -3.130 -18.567 -6.075 1.00 0.00 N ATOM 0 H LYS A 55 -5.129 -12.464 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.904 -14.483 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.637 -14.341 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.274 -15.334 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.278 -15.640 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.898 -16.068 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.096 -18.101 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.026 -17.451 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.179 -17.239 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.260 -16.456 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.286 -18.571 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.839 -18.625 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.729 -19.384 -6.309 1.00 0.00 H new ATOM 851 N GLY A 56 -4.280 -12.054 -7.524 1.00 0.00 N ATOM 852 CA GLY A 56 -4.530 -11.145 -8.630 1.00 0.00 C ATOM 853 C GLY A 56 -5.795 -10.320 -8.386 1.00 0.00 C ATOM 854 O GLY A 56 -6.414 -9.832 -9.331 1.00 0.00 O ATOM 0 H GLY A 56 -3.398 -11.899 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.676 -10.479 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.634 -11.712 -9.555 1.00 0.00 H new ATOM 858 N ARG A 57 -6.142 -10.189 -7.114 1.00 0.00 N ATOM 859 CA ARG A 57 -7.322 -9.431 -6.734 1.00 0.00 C ATOM 860 C ARG A 57 -6.983 -8.447 -5.613 1.00 0.00 C ATOM 861 O ARG A 57 -6.380 -8.827 -4.610 1.00 0.00 O ATOM 862 CB ARG A 57 -8.445 -10.359 -6.267 1.00 0.00 C ATOM 863 CG ARG A 57 -9.444 -10.623 -7.395 1.00 0.00 C ATOM 864 CD ARG A 57 -9.808 -12.107 -7.469 1.00 0.00 C ATOM 865 NE ARG A 57 -10.171 -12.472 -8.857 1.00 0.00 N ATOM 866 CZ ARG A 57 -10.248 -13.731 -9.307 1.00 0.00 C ATOM 867 NH1 ARG A 57 -9.989 -14.755 -8.482 1.00 0.00 N ATOM 868 NH2 ARG A 57 -10.584 -13.967 -10.582 1.00 0.00 N ATOM 0 H ARG A 57 -5.626 -10.595 -6.333 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.661 -8.882 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.022 -11.303 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.961 -9.912 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.345 -10.032 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.018 -10.302 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.967 -12.713 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.641 -12.319 -6.799 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.375 -11.717 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.733 -14.576 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.048 -15.714 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.781 -13.188 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.643 -14.926 -10.925 1.00 0.00 H new ATOM 882 N LYS A 58 -7.384 -7.202 -5.820 1.00 0.00 N ATOM 883 CA LYS A 58 -7.130 -6.160 -4.839 1.00 0.00 C ATOM 884 C LYS A 58 -7.744 -6.568 -3.499 1.00 0.00 C ATOM 885 O LYS A 58 -8.960 -6.500 -3.322 1.00 0.00 O ATOM 886 CB LYS A 58 -7.623 -4.807 -5.355 1.00 0.00 C ATOM 887 CG LYS A 58 -6.557 -4.127 -6.216 1.00 0.00 C ATOM 888 CD LYS A 58 -7.001 -4.049 -7.678 1.00 0.00 C ATOM 889 CE LYS A 58 -6.340 -2.866 -8.390 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.969 -3.235 -9.774 1.00 0.00 N ATOM 0 H LYS A 58 -7.883 -6.891 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.059 -6.042 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.533 -4.946 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.880 -4.164 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.364 -3.123 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.620 -4.680 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.743 -4.976 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.085 -3.948 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.022 -2.016 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.452 -2.553 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.522 -2.421 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.302 -4.032 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.822 -3.511 -10.300 1.00 0.00 H new ATOM 904 N THR A 59 -6.876 -6.983 -2.588 1.00 0.00 N ATOM 905 CA THR A 59 -7.317 -7.402 -1.269 1.00 0.00 C ATOM 906 C THR A 59 -7.142 -6.263 -0.262 1.00 0.00 C ATOM 907 O THR A 59 -6.048 -6.053 0.259 1.00 0.00 O ATOM 908 CB THR A 59 -6.547 -8.669 -0.892 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.233 -9.710 -1.583 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.706 -9.034 0.585 1.00 0.00 C ATOM 0 H THR A 59 -5.869 -7.038 -2.738 1.00 0.00 H new ATOM 0 HA THR A 59 -8.381 -7.638 -1.265 1.00 0.00 H new ATOM 0 HB THR A 59 -5.490 -8.532 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.079 -9.620 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.140 -9.940 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.332 -8.218 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.760 -9.204 0.806 1.00 0.00 H new ATOM 918 N VAL A 60 -8.237 -5.558 -0.017 1.00 0.00 N ATOM 919 CA VAL A 60 -8.219 -4.447 0.918 1.00 0.00 C ATOM 920 C VAL A 60 -7.548 -4.892 2.219 1.00 0.00 C ATOM 921 O VAL A 60 -7.952 -5.886 2.821 1.00 0.00 O ATOM 922 CB VAL A 60 -9.638 -3.916 1.128 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.673 -2.869 2.243 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.210 -3.350 -0.174 1.00 0.00 C ATOM 0 H VAL A 60 -9.143 -5.735 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.634 -3.620 0.517 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.266 -4.752 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.694 -2.508 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.327 -3.317 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.024 -2.034 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.220 -2.979 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.579 -2.533 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.239 -4.135 -0.930 1.00 0.00 H new ATOM 934 N THR A 61 -6.536 -4.134 2.615 1.00 0.00 N ATOM 935 CA THR A 61 -5.806 -4.438 3.834 1.00 0.00 C ATOM 936 C THR A 61 -6.160 -3.434 4.932 1.00 0.00 C ATOM 937 O THR A 61 -6.349 -2.250 4.658 1.00 0.00 O ATOM 938 CB THR A 61 -4.314 -4.468 3.496 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.787 -5.487 4.342 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.586 -3.199 3.944 1.00 0.00 C ATOM 0 H THR A 61 -6.204 -3.310 2.113 1.00 0.00 H new ATOM 0 HA THR A 61 -6.085 -5.415 4.229 1.00 0.00 H new ATOM 0 HB THR A 61 -4.188 -4.598 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.999 -5.145 4.814 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.531 -3.272 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.025 -2.333 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.683 -3.086 5.024 1.00 0.00 H new ATOM 948 N ALA A 62 -6.239 -3.944 6.153 1.00 0.00 N ATOM 949 CA ALA A 62 -6.568 -3.106 7.294 1.00 0.00 C ATOM 950 C ALA A 62 -5.348 -2.263 7.670 1.00 0.00 C ATOM 951 O ALA A 62 -4.218 -2.615 7.333 1.00 0.00 O ATOM 952 CB ALA A 62 -7.048 -3.985 8.450 1.00 0.00 C ATOM 0 H ALA A 62 -6.081 -4.927 6.377 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.379 -2.421 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.295 -3.357 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.933 -4.542 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.259 -4.684 8.728 1.00 0.00 H new ATOM 958 N TRP A 63 -5.617 -1.166 8.362 1.00 0.00 N ATOM 959 CA TRP A 63 -4.555 -0.270 8.788 1.00 0.00 C ATOM 960 C TRP A 63 -3.927 -0.850 10.057 1.00 0.00 C ATOM 961 O TRP A 63 -2.710 -1.011 10.134 1.00 0.00 O ATOM 962 CB TRP A 63 -5.083 1.153 8.978 1.00 0.00 C ATOM 963 CG TRP A 63 -5.516 1.835 7.679 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.750 2.213 7.317 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.662 2.209 6.578 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.753 2.799 6.068 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.443 2.797 5.604 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.274 2.055 6.409 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.928 3.278 4.394 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.775 2.540 5.195 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.548 3.135 4.205 1.00 0.00 C ATOM 0 H TRP A 63 -6.555 -0.877 8.639 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.783 -0.194 8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.931 1.126 9.662 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.309 1.756 9.453 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.631 2.076 7.926 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.567 3.166 5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.643 1.598 7.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.561 3.734 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.714 2.445 5.015 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.086 3.486 3.294 1.00 0.00 H new ATOM 982 N ASP A 64 -4.786 -1.148 11.021 1.00 0.00 N ATOM 983 CA ASP A 64 -4.331 -1.706 12.283 1.00 0.00 C ATOM 984 C ASP A 64 -3.419 -2.903 12.006 1.00 0.00 C ATOM 985 O ASP A 64 -2.503 -3.182 12.778 1.00 0.00 O ATOM 986 CB ASP A 64 -5.510 -2.194 13.126 1.00 0.00 C ATOM 987 CG ASP A 64 -5.205 -2.389 14.613 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.530 -3.393 14.928 1.00 0.00 O ATOM 989 OD2 ASP A 64 -5.653 -1.528 15.401 1.00 0.00 O ATOM 0 H ASP A 64 -5.795 -1.013 10.953 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.799 -0.925 12.826 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.327 -1.479 13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.864 -3.140 12.716 1.00 0.00 H new ATOM 994 N THR A 65 -3.702 -3.579 10.902 1.00 0.00 N ATOM 995 CA THR A 65 -2.919 -4.740 10.515 1.00 0.00 C ATOM 996 C THR A 65 -1.423 -4.429 10.606 1.00 0.00 C ATOM 997 O THR A 65 -1.024 -3.267 10.571 1.00 0.00 O ATOM 998 CB THR A 65 -3.366 -5.166 9.115 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.789 -5.191 9.198 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.987 -6.613 8.794 1.00 0.00 C ATOM 0 H THR A 65 -4.462 -3.345 10.264 1.00 0.00 H new ATOM 0 HA THR A 65 -3.088 -5.575 11.195 1.00 0.00 H new ATOM 0 HB THR A 65 -2.921 -4.501 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.112 -6.098 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.327 -6.864 7.789 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.904 -6.726 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.459 -7.281 9.514 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.637 -5.490 10.722 1.00 0.00 N ATOM 1009 CA ALA A 66 0.805 -5.345 10.818 1.00 0.00 C ATOM 1010 C ALA A 66 1.424 -5.511 9.429 1.00 0.00 C ATOM 1011 O ALA A 66 0.764 -5.981 8.504 1.00 0.00 O ATOM 1012 CB ALA A 66 1.354 -6.357 11.826 1.00 0.00 C ATOM 0 H ALA A 66 -0.972 -6.453 10.752 1.00 0.00 H new ATOM 0 HA ALA A 66 1.067 -4.350 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.436 -6.248 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.905 -6.177 12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.112 -7.367 11.496 1.00 0.00 H new ATOM 1018 N ILE A 67 2.685 -5.116 9.327 1.00 0.00 N ATOM 1019 CA ILE A 67 3.400 -5.215 8.066 1.00 0.00 C ATOM 1020 C ILE A 67 4.304 -6.449 8.094 1.00 0.00 C ATOM 1021 O ILE A 67 5.001 -6.734 7.121 1.00 0.00 O ATOM 1022 CB ILE A 67 4.146 -3.912 7.770 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.633 -3.877 6.320 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.290 -3.697 8.764 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.628 -3.154 5.421 1.00 0.00 C ATOM 0 H ILE A 67 3.229 -4.727 10.097 1.00 0.00 H new ATOM 0 HA ILE A 67 2.701 -5.350 7.240 1.00 0.00 H new ATOM 0 HB ILE A 67 3.450 -3.083 7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.599 -3.374 6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.783 -4.894 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.804 -2.764 8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.888 -3.647 9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.994 -4.526 8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.999 -3.143 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.670 -3.673 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.498 -2.130 5.771 1.00 0.00 H new ATOM 1037 N ALA A 68 4.264 -7.148 9.218 1.00 0.00 N ATOM 1038 CA ALA A 68 5.071 -8.345 9.385 1.00 0.00 C ATOM 1039 C ALA A 68 4.549 -9.440 8.453 1.00 0.00 C ATOM 1040 O ALA A 68 5.304 -9.994 7.656 1.00 0.00 O ATOM 1041 CB ALA A 68 5.053 -8.772 10.854 1.00 0.00 C ATOM 0 H ALA A 68 3.685 -6.909 10.023 1.00 0.00 H new ATOM 0 HA ALA A 68 6.109 -8.149 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.658 -9.670 10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.460 -7.971 11.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.028 -8.980 11.160 1.00 0.00 H new ATOM 1047 N PRO A 69 3.227 -9.728 8.588 1.00 0.00 N ATOM 1048 CA PRO A 69 2.595 -10.747 7.768 1.00 0.00 C ATOM 1049 C PRO A 69 2.375 -10.244 6.340 1.00 0.00 C ATOM 1050 O PRO A 69 1.252 -10.259 5.839 1.00 0.00 O ATOM 1051 CB PRO A 69 1.298 -11.082 8.486 1.00 0.00 C ATOM 1052 CG PRO A 69 1.028 -9.917 9.424 1.00 0.00 C ATOM 1053 CD PRO A 69 2.301 -9.093 9.522 1.00 0.00 C ATOM 0 HA PRO A 69 3.213 -11.638 7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.481 -11.210 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.388 -12.016 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.206 -9.307 9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.732 -10.280 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.120 -8.052 9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.698 -9.097 10.537 1.00 0.00 H new ATOM 1061 N LEU A 70 3.465 -9.809 5.725 1.00 0.00 N ATOM 1062 CA LEU A 70 3.406 -9.302 4.365 1.00 0.00 C ATOM 1063 C LEU A 70 4.789 -8.794 3.954 1.00 0.00 C ATOM 1064 O LEU A 70 5.376 -7.957 4.639 1.00 0.00 O ATOM 1065 CB LEU A 70 2.300 -8.252 4.233 1.00 0.00 C ATOM 1066 CG LEU A 70 2.763 -6.824 3.939 1.00 0.00 C ATOM 1067 CD1 LEU A 70 3.106 -6.652 2.458 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.725 -5.803 4.409 1.00 0.00 C ATOM 0 H LEU A 70 4.395 -9.797 6.144 1.00 0.00 H new ATOM 0 HA LEU A 70 3.141 -10.100 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.623 -8.564 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.723 -8.243 5.158 1.00 0.00 H new ATOM 0 HG LEU A 70 3.676 -6.638 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.432 -5.628 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.906 -7.341 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.224 -6.864 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.079 -4.796 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.782 -5.978 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.573 -5.907 5.483 1.00 0.00 H new ATOM 1080 N ASP A 71 5.270 -9.320 2.837 1.00 0.00 N ATOM 1081 CA ASP A 71 6.573 -8.930 2.326 1.00 0.00 C ATOM 1082 C ASP A 71 6.610 -9.150 0.813 1.00 0.00 C ATOM 1083 O ASP A 71 6.802 -8.205 0.049 1.00 0.00 O ATOM 1084 CB ASP A 71 7.685 -9.773 2.954 1.00 0.00 C ATOM 1085 CG ASP A 71 8.998 -9.799 2.168 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.024 -10.497 1.132 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.944 -9.121 2.622 1.00 0.00 O ATOM 0 H ASP A 71 4.780 -10.013 2.271 1.00 0.00 H new ATOM 0 HA ASP A 71 6.732 -7.880 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.886 -9.394 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.326 -10.796 3.066 1.00 0.00 H new ATOM 1092 N GLY A 72 6.422 -10.403 0.425 1.00 0.00 N ATOM 1093 CA GLY A 72 6.431 -10.759 -0.984 1.00 0.00 C ATOM 1094 C GLY A 72 5.087 -10.438 -1.640 1.00 0.00 C ATOM 1095 O GLY A 72 4.357 -11.342 -2.043 1.00 0.00 O ATOM 0 H GLY A 72 6.263 -11.184 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.227 -10.217 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.648 -11.822 -1.093 1.00 0.00 H new ATOM 1099 N GLU A 73 4.801 -9.147 -1.726 1.00 0.00 N ATOM 1100 CA GLU A 73 3.557 -8.695 -2.326 1.00 0.00 C ATOM 1101 C GLU A 73 3.672 -7.228 -2.745 1.00 0.00 C ATOM 1102 O GLU A 73 4.748 -6.637 -2.661 1.00 0.00 O ATOM 1103 CB GLU A 73 2.380 -8.901 -1.371 1.00 0.00 C ATOM 1104 CG GLU A 73 2.814 -8.704 0.083 1.00 0.00 C ATOM 1105 CD GLU A 73 2.848 -10.039 0.831 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.752 -10.503 1.214 1.00 0.00 O ATOM 1107 OE2 GLU A 73 3.968 -10.565 1.003 1.00 0.00 O ATOM 0 H GLU A 73 5.409 -8.400 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 73 3.368 -9.294 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.582 -8.199 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.973 -9.904 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.801 -8.241 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.127 -8.021 0.582 1.00 0.00 H new ATOM 1114 N GLU A 74 2.549 -6.681 -3.187 1.00 0.00 N ATOM 1115 CA GLU A 74 2.511 -5.295 -3.618 1.00 0.00 C ATOM 1116 C GLU A 74 1.207 -4.634 -3.165 1.00 0.00 C ATOM 1117 O GLU A 74 0.123 -5.046 -3.574 1.00 0.00 O ATOM 1118 CB GLU A 74 2.681 -5.188 -5.135 1.00 0.00 C ATOM 1119 CG GLU A 74 4.149 -4.966 -5.507 1.00 0.00 C ATOM 1120 CD GLU A 74 4.416 -5.384 -6.955 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.234 -6.587 -7.241 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.796 -4.490 -7.742 1.00 0.00 O ATOM 0 H GLU A 74 1.658 -7.173 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 74 3.344 -4.767 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.315 -6.098 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.077 -4.364 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.407 -3.915 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.789 -5.538 -4.835 1.00 0.00 H new ATOM 1129 N LEU A 75 1.356 -3.619 -2.327 1.00 0.00 N ATOM 1130 CA LEU A 75 0.204 -2.897 -1.814 1.00 0.00 C ATOM 1131 C LEU A 75 -0.119 -1.730 -2.750 1.00 0.00 C ATOM 1132 O LEU A 75 0.782 -1.037 -3.219 1.00 0.00 O ATOM 1133 CB LEU A 75 0.440 -2.473 -0.363 1.00 0.00 C ATOM 1134 CG LEU A 75 0.703 -3.606 0.632 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.873 -3.263 1.556 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.564 -3.952 1.416 1.00 0.00 C ATOM 0 H LEU A 75 2.257 -3.279 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.673 -3.544 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.289 -1.790 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.430 -1.912 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 75 0.987 -4.496 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.039 -4.084 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.772 -3.105 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.642 -2.355 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.350 -4.760 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.902 -3.074 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.345 -4.269 0.724 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.409 -1.549 -2.994 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.863 -0.479 -3.865 1.00 0.00 C ATOM 1150 C ILE A 76 -2.701 0.512 -3.055 1.00 0.00 C ATOM 1151 O ILE A 76 -3.790 0.176 -2.591 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.593 -1.052 -5.081 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.617 -1.759 -6.024 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.398 0.034 -5.799 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.367 -2.517 -7.121 1.00 0.00 C ATOM 0 H ILE A 76 -2.154 -2.126 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.013 0.074 -4.264 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.303 -1.802 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.947 -1.027 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.996 -2.453 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.907 -0.400 -6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.135 0.453 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.725 0.823 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.650 -3.010 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.018 -3.264 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.968 -1.817 -7.701 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.162 1.713 -2.909 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.847 2.755 -2.163 1.00 0.00 C ATOM 1169 C VAL A 77 -3.700 3.587 -3.123 1.00 0.00 C ATOM 1170 O VAL A 77 -3.224 4.012 -4.174 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.832 3.595 -1.385 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.518 4.761 -0.670 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -1.047 2.730 -0.396 1.00 0.00 C ATOM 0 H VAL A 77 -1.259 1.988 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.520 2.317 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.123 4.012 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.774 5.342 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.010 5.399 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.259 4.374 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.333 3.352 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.736 2.271 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.512 1.951 -0.939 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.948 3.794 -2.727 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.872 4.567 -3.538 1.00 0.00 C ATOM 1185 C GLU A 78 -6.737 5.463 -2.650 1.00 0.00 C ATOM 1186 O GLU A 78 -6.750 5.307 -1.430 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.740 3.651 -4.403 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.269 3.663 -5.859 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.375 4.163 -6.790 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.511 3.663 -6.641 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.060 5.035 -7.628 1.00 0.00 O ATOM 0 H GLU A 78 -5.340 3.439 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.293 5.203 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.702 2.634 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.780 3.974 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.391 4.302 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.966 2.659 -6.155 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.439 6.383 -3.296 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.304 7.304 -2.580 1.00 0.00 C ATOM 1200 C VAL A 79 -9.757 6.841 -2.714 1.00 0.00 C ATOM 1201 O VAL A 79 -10.225 6.567 -3.818 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.082 8.731 -3.086 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.037 9.710 -2.400 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.626 9.160 -2.895 1.00 0.00 C ATOM 0 H VAL A 79 -7.426 6.510 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.061 7.309 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.298 8.745 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.859 10.717 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.067 9.421 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.867 9.690 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.495 10.178 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.371 9.121 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.973 8.487 -3.450 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.429 6.770 -1.575 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.818 6.345 -1.551 1.00 0.00 C ATOM 1216 C LEU A 80 -12.636 7.240 -2.484 1.00 0.00 C ATOM 1217 O LEU A 80 -13.116 6.787 -3.522 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.344 6.311 -0.114 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.873 5.136 0.744 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.269 5.333 2.209 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.387 3.807 0.185 1.00 0.00 C ATOM 0 H LEU A 80 -10.037 7.000 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.911 5.325 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.052 7.237 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.433 6.298 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.784 5.101 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.922 4.483 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.814 6.248 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.354 5.409 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.038 2.988 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.477 3.815 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.013 3.670 -0.830 1.00 0.00 H new