USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 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 98 ASN :FLIP amide:sc= 0.178! F(o=-2.8,f=-1.4!) USER MOD Set 1.2: A 102 SER OG : rot 21:sc= -1.58! USER MOD Set 2.1: A 92 THR OG1 : rot 107:sc= 1.01 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.336 K(o=1.3,f=-5.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -133:sc= -1.05 (180deg=-2.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -5.22! C(o=-7!,f=-5.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -9.67! C(o=-11!,f=-9.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 15:sc= 0.504 USER MOD Single : A 50 HIS : no HD1:sc=-0.00976 X(o=-0.0098,f=-0.0091) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.653 F(o=-2.7!,f=0.65) USER MOD Single : A 61 SER OG : rot 180:sc= -0.438 USER MOD Single : A 63 THR OG1 : rot -158:sc= -5.73! USER MOD Single : A 74 HIS : no HD1:sc= -15.9! C(o=-16!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.452 K(o=0.45,f=-2.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -19.1! C(o=-20!,f=-19!) USER MOD Single : A 101 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 22.484 14.972 40.244 1.00 0.00 N ATOM 54 CA LEU A 5 21.618 15.185 39.097 1.00 0.00 C ATOM 55 C LEU A 5 20.159 15.179 39.557 1.00 0.00 C ATOM 56 O LEU A 5 19.247 15.060 38.741 1.00 0.00 O ATOM 57 CB LEU A 5 21.920 14.162 38.000 1.00 0.00 C ATOM 58 CG LEU A 5 23.340 13.591 37.988 1.00 0.00 C ATOM 59 CD1 LEU A 5 23.322 12.073 38.172 1.00 0.00 C ATOM 60 CD2 LEU A 5 24.087 14.005 36.718 1.00 0.00 C ATOM 0 HA LEU A 5 21.809 16.162 38.652 1.00 0.00 H new ATOM 0 HB2 LEU A 5 21.218 13.334 38.099 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.729 14.628 37.033 1.00 0.00 H new ATOM 0 HG LEU A 5 23.884 14.012 38.834 1.00 0.00 H new ATOM 0 HD11 LEU A 5 24.343 11.693 38.160 1.00 0.00 H new ATOM 0 HD12 LEU A 5 22.855 11.828 39.126 1.00 0.00 H new ATOM 0 HD13 LEU A 5 22.755 11.615 37.362 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.093 13.586 36.735 1.00 0.00 H new ATOM 0 HD22 LEU A 5 23.553 13.632 35.844 1.00 0.00 H new ATOM 0 HD23 LEU A 5 24.147 15.092 36.669 1.00 0.00 H new ATOM 72 N VAL A 6 19.984 15.310 40.864 1.00 0.00 N ATOM 73 CA VAL A 6 18.651 15.321 41.443 1.00 0.00 C ATOM 74 C VAL A 6 18.214 16.769 41.677 1.00 0.00 C ATOM 75 O VAL A 6 17.020 17.065 41.697 1.00 0.00 O ATOM 76 CB VAL A 6 18.628 14.477 42.719 1.00 0.00 C ATOM 77 CG1 VAL A 6 17.299 14.640 43.460 1.00 0.00 C ATOM 78 CG2 VAL A 6 18.904 13.004 42.406 1.00 0.00 C ATOM 0 H VAL A 6 20.743 15.409 41.538 1.00 0.00 H new ATOM 0 HA VAL A 6 17.933 14.870 40.758 1.00 0.00 H new ATOM 0 HB VAL A 6 19.423 14.836 43.373 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.309 14.030 44.363 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.159 15.687 43.731 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.481 14.320 42.815 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.882 12.425 43.330 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.141 12.628 41.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.885 12.908 41.941 1.00 0.00 H new ATOM 88 N LYS A 7 19.204 17.632 41.848 1.00 0.00 N ATOM 89 CA LYS A 7 18.937 19.042 42.079 1.00 0.00 C ATOM 90 C LYS A 7 18.584 19.714 40.751 1.00 0.00 C ATOM 91 O LYS A 7 18.739 20.926 40.604 1.00 0.00 O ATOM 92 CB LYS A 7 20.111 19.697 42.808 1.00 0.00 C ATOM 93 CG LYS A 7 19.713 20.115 44.225 1.00 0.00 C ATOM 94 CD LYS A 7 19.559 18.894 45.134 1.00 0.00 C ATOM 95 CE LYS A 7 20.729 18.789 46.115 1.00 0.00 C ATOM 96 NZ LYS A 7 20.238 18.467 47.473 1.00 0.00 N ATOM 0 H LYS A 7 20.193 17.382 41.831 1.00 0.00 H new ATOM 0 HA LYS A 7 18.076 19.164 42.736 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.950 19.002 42.852 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.449 20.570 42.249 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.468 20.786 44.636 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.776 20.671 44.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.622 18.963 45.686 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.506 17.990 44.528 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.424 18.019 45.781 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.281 19.729 46.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.044 18.399 48.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.593 19.216 47.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.732 17.559 47.453 1.00 0.00 H new ATOM 110 N GLY A 8 18.117 18.899 39.817 1.00 0.00 N ATOM 111 CA GLY A 8 17.741 19.400 38.506 1.00 0.00 C ATOM 112 C GLY A 8 17.670 18.263 37.484 1.00 0.00 C ATOM 113 O GLY A 8 18.510 18.175 36.590 1.00 0.00 O ATOM 0 H GLY A 8 17.990 17.895 39.942 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.774 19.900 38.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 18.465 20.145 38.176 1.00 0.00 H new ATOM 117 N PRO A 9 16.634 17.399 37.656 1.00 0.00 N ATOM 118 CA PRO A 9 16.443 16.272 36.760 1.00 0.00 C ATOM 119 C PRO A 9 15.881 16.731 35.413 1.00 0.00 C ATOM 120 O PRO A 9 14.813 17.338 35.356 1.00 0.00 O ATOM 121 CB PRO A 9 15.508 15.332 37.503 1.00 0.00 C ATOM 122 CG PRO A 9 14.843 16.172 38.582 1.00 0.00 C ATOM 123 CD PRO A 9 15.621 17.472 38.705 1.00 0.00 C ATOM 0 HA PRO A 9 17.378 15.769 36.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.766 14.905 36.828 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.058 14.499 37.940 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.803 16.372 38.323 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.838 15.638 39.532 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.971 18.337 38.569 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.077 17.569 39.690 1.00 0.00 H new ATOM 131 N TRP A 10 16.627 16.425 34.361 1.00 0.00 N ATOM 132 CA TRP A 10 16.217 16.799 33.019 1.00 0.00 C ATOM 133 C TRP A 10 15.096 15.852 32.586 1.00 0.00 C ATOM 134 O TRP A 10 14.832 14.852 33.251 1.00 0.00 O ATOM 135 CB TRP A 10 17.409 16.792 32.060 1.00 0.00 C ATOM 136 CG TRP A 10 18.528 17.761 32.450 1.00 0.00 C ATOM 137 CD1 TRP A 10 19.049 17.972 33.666 1.00 0.00 C ATOM 138 CD2 TRP A 10 19.246 18.646 31.565 1.00 0.00 C ATOM 139 NE1 TRP A 10 20.047 18.924 33.631 1.00 0.00 N ATOM 140 CE2 TRP A 10 20.171 19.347 32.312 1.00 0.00 C ATOM 141 CE3 TRP A 10 19.120 18.847 30.180 1.00 0.00 C ATOM 142 CZ2 TRP A 10 21.039 20.297 31.762 1.00 0.00 C ATOM 143 CZ3 TRP A 10 19.995 19.800 29.645 1.00 0.00 C ATOM 144 CH2 TRP A 10 20.931 20.515 30.383 1.00 0.00 C ATOM 0 H TRP A 10 17.513 15.922 34.412 1.00 0.00 H new ATOM 0 HA TRP A 10 15.836 17.820 33.002 1.00 0.00 H new ATOM 0 HB2 TRP A 10 17.817 15.782 32.012 1.00 0.00 H new ATOM 0 HB3 TRP A 10 17.058 17.042 31.059 1.00 0.00 H new ATOM 0 HD1 TRP A 10 18.728 17.461 34.562 1.00 0.00 H new ATOM 0 HE1 TRP A 10 20.593 19.256 34.426 1.00 0.00 H new ATOM 0 HE3 TRP A 10 18.405 18.309 29.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 21.754 20.833 32.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 19.939 19.993 28.584 1.00 0.00 H new ATOM 0 HH2 TRP A 10 21.572 21.235 29.895 1.00 0.00 H new ATOM 155 N THR A 11 14.467 16.201 31.473 1.00 0.00 N ATOM 156 CA THR A 11 13.381 15.395 30.943 1.00 0.00 C ATOM 157 C THR A 11 13.291 15.553 29.424 1.00 0.00 C ATOM 158 O THR A 11 14.152 16.181 28.810 1.00 0.00 O ATOM 159 CB THR A 11 12.096 15.795 31.672 1.00 0.00 C ATOM 160 OG1 THR A 11 11.775 17.075 31.135 1.00 0.00 O ATOM 161 CG2 THR A 11 12.328 16.063 33.161 1.00 0.00 C ATOM 0 H THR A 11 14.689 17.031 30.924 1.00 0.00 H new ATOM 0 HA THR A 11 13.555 14.333 31.118 1.00 0.00 H new ATOM 0 HB THR A 11 11.352 15.006 31.556 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.953 17.408 31.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.385 16.343 33.631 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.718 15.163 33.636 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.046 16.874 33.277 1.00 0.00 H new ATOM 169 N LYS A 12 12.241 14.972 28.862 1.00 0.00 N ATOM 170 CA LYS A 12 12.028 15.041 27.426 1.00 0.00 C ATOM 171 C LYS A 12 12.157 16.493 26.964 1.00 0.00 C ATOM 172 O LYS A 12 12.578 16.755 25.839 1.00 0.00 O ATOM 173 CB LYS A 12 10.693 14.393 27.051 1.00 0.00 C ATOM 174 CG LYS A 12 10.443 14.484 25.545 1.00 0.00 C ATOM 175 CD LYS A 12 10.893 13.204 24.836 1.00 0.00 C ATOM 176 CE LYS A 12 11.480 13.517 23.459 1.00 0.00 C ATOM 177 NZ LYS A 12 10.742 12.789 22.403 1.00 0.00 N ATOM 0 H LYS A 12 11.529 14.452 29.375 1.00 0.00 H new ATOM 0 HA LYS A 12 12.793 14.470 26.900 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.692 13.348 27.361 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.882 14.885 27.588 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.383 14.654 25.358 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.980 15.339 25.135 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.637 12.690 25.444 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.046 12.527 24.729 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.431 14.590 23.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.533 13.237 23.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.154 13.013 21.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.810 11.765 22.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.743 13.076 22.417 1.00 0.00 H new ATOM 191 N GLU A 13 11.788 17.400 27.857 1.00 0.00 N ATOM 192 CA GLU A 13 11.858 18.820 27.555 1.00 0.00 C ATOM 193 C GLU A 13 13.241 19.178 27.008 1.00 0.00 C ATOM 194 O GLU A 13 13.400 19.398 25.808 1.00 0.00 O ATOM 195 CB GLU A 13 11.521 19.660 28.789 1.00 0.00 C ATOM 196 CG GLU A 13 10.709 20.898 28.404 1.00 0.00 C ATOM 197 CD GLU A 13 11.462 22.181 28.760 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.524 22.406 28.139 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.961 22.907 29.644 1.00 0.00 O ATOM 0 H GLU A 13 11.440 17.179 28.790 1.00 0.00 H new ATOM 0 HA GLU A 13 11.116 19.046 26.789 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.957 19.057 29.501 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.441 19.965 29.288 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.498 20.881 27.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.748 20.881 28.919 1.00 0.00 H new ATOM 206 N GLU A 14 14.206 19.227 27.914 1.00 0.00 N ATOM 207 CA GLU A 14 15.571 19.555 27.537 1.00 0.00 C ATOM 208 C GLU A 14 16.024 18.679 26.367 1.00 0.00 C ATOM 209 O GLU A 14 16.701 19.154 25.457 1.00 0.00 O ATOM 210 CB GLU A 14 16.519 19.412 28.729 1.00 0.00 C ATOM 211 CG GLU A 14 16.140 20.381 29.851 1.00 0.00 C ATOM 212 CD GLU A 14 15.166 19.729 30.834 1.00 0.00 C ATOM 213 OE1 GLU A 14 15.294 18.501 31.029 1.00 0.00 O ATOM 214 OE2 GLU A 14 14.315 20.473 31.368 1.00 0.00 O ATOM 0 H GLU A 14 14.070 19.045 28.908 1.00 0.00 H new ATOM 0 HA GLU A 14 15.598 20.597 27.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.488 18.388 29.102 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.543 19.604 28.409 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.038 20.699 30.381 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.687 21.277 29.425 1.00 0.00 H new ATOM 221 N ASP A 15 15.631 17.415 26.430 1.00 0.00 N ATOM 222 CA ASP A 15 15.988 16.468 25.387 1.00 0.00 C ATOM 223 C ASP A 15 15.360 16.911 24.065 1.00 0.00 C ATOM 224 O ASP A 15 15.907 16.648 22.995 1.00 0.00 O ATOM 225 CB ASP A 15 15.466 15.067 25.713 1.00 0.00 C ATOM 226 CG ASP A 15 16.024 14.452 26.998 1.00 0.00 C ATOM 227 OD1 ASP A 15 17.069 14.957 27.462 1.00 0.00 O ATOM 228 OD2 ASP A 15 15.393 13.489 27.486 1.00 0.00 O ATOM 0 H ASP A 15 15.069 17.025 27.187 1.00 0.00 H new ATOM 0 HA ASP A 15 17.075 16.440 25.315 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.380 15.109 25.790 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.701 14.405 24.879 1.00 0.00 H new ATOM 233 N GLN A 16 14.220 17.576 24.181 1.00 0.00 N ATOM 234 CA GLN A 16 13.511 18.058 23.008 1.00 0.00 C ATOM 235 C GLN A 16 14.310 19.170 22.325 1.00 0.00 C ATOM 236 O GLN A 16 14.187 19.376 21.119 1.00 0.00 O ATOM 237 CB GLN A 16 12.106 18.539 23.375 1.00 0.00 C ATOM 238 CG GLN A 16 12.108 20.032 23.712 1.00 0.00 C ATOM 239 CD GLN A 16 11.507 20.853 22.569 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.187 21.269 21.645 1.00 0.00 O ATOM 241 NE2 GLN A 16 10.199 21.062 22.682 1.00 0.00 N ATOM 0 H GLN A 16 13.769 17.792 25.070 1.00 0.00 H new ATOM 0 HA GLN A 16 13.404 17.230 22.307 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.425 18.351 22.545 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.734 17.971 24.228 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.539 20.203 24.626 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.128 20.363 23.905 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.690 20.685 23.481 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.705 21.599 21.969 1.00 0.00 H new ATOM 250 N LYS A 17 15.111 19.857 23.126 1.00 0.00 N ATOM 251 CA LYS A 17 15.930 20.943 22.614 1.00 0.00 C ATOM 252 C LYS A 17 16.969 20.378 21.643 1.00 0.00 C ATOM 253 O LYS A 17 17.099 20.859 20.518 1.00 0.00 O ATOM 254 CB LYS A 17 16.538 21.745 23.766 1.00 0.00 C ATOM 255 CG LYS A 17 16.958 23.140 23.301 1.00 0.00 C ATOM 256 CD LYS A 17 17.633 23.916 24.434 1.00 0.00 C ATOM 257 CE LYS A 17 17.159 25.371 24.461 1.00 0.00 C ATOM 258 NZ LYS A 17 18.033 26.185 25.334 1.00 0.00 N ATOM 0 H LYS A 17 15.210 19.683 24.126 1.00 0.00 H new ATOM 0 HA LYS A 17 15.318 21.649 22.053 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.814 21.831 24.576 1.00 0.00 H new ATOM 0 HB3 LYS A 17 17.403 21.215 24.166 1.00 0.00 H new ATOM 0 HG2 LYS A 17 17.641 23.055 22.456 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.084 23.689 22.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.410 23.440 25.389 1.00 0.00 H new ATOM 0 HD3 LYS A 17 18.715 23.885 24.307 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.163 25.780 23.450 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.131 25.418 24.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.697 27.169 25.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.009 25.804 26.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.008 26.155 24.974 1.00 0.00 H new ATOM 272 N VAL A 18 17.681 19.364 22.112 1.00 0.00 N ATOM 273 CA VAL A 18 18.704 18.728 21.299 1.00 0.00 C ATOM 274 C VAL A 18 18.109 18.353 19.940 1.00 0.00 C ATOM 275 O VAL A 18 18.622 18.761 18.900 1.00 0.00 O ATOM 276 CB VAL A 18 19.295 17.529 22.044 1.00 0.00 C ATOM 277 CG1 VAL A 18 19.989 16.570 21.076 1.00 0.00 C ATOM 278 CG2 VAL A 18 20.254 17.987 23.145 1.00 0.00 C ATOM 0 H VAL A 18 17.570 18.967 23.045 1.00 0.00 H new ATOM 0 HA VAL A 18 19.528 19.417 21.115 1.00 0.00 H new ATOM 0 HB VAL A 18 18.474 16.990 22.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.400 15.727 21.631 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.267 16.206 20.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 20.795 17.093 20.561 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.660 17.116 23.659 1.00 0.00 H new ATOM 0 HG22 VAL A 18 21.069 18.560 22.703 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.717 18.612 23.859 1.00 0.00 H new ATOM 288 N ILE A 19 17.035 17.579 19.993 1.00 0.00 N ATOM 289 CA ILE A 19 16.365 17.144 18.780 1.00 0.00 C ATOM 290 C ILE A 19 16.016 18.367 17.929 1.00 0.00 C ATOM 291 O ILE A 19 15.976 18.283 16.702 1.00 0.00 O ATOM 292 CB ILE A 19 15.158 16.267 19.119 1.00 0.00 C ATOM 293 CG1 ILE A 19 15.597 14.845 19.476 1.00 0.00 C ATOM 294 CG2 ILE A 19 14.133 16.282 17.983 1.00 0.00 C ATOM 295 CD1 ILE A 19 16.887 14.860 20.299 1.00 0.00 C ATOM 0 H ILE A 19 16.612 17.242 20.858 1.00 0.00 H new ATOM 0 HA ILE A 19 17.028 16.517 18.183 1.00 0.00 H new ATOM 0 HB ILE A 19 14.669 16.684 19.999 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.808 14.348 20.039 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.750 14.268 18.564 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.285 15.651 18.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.788 17.303 17.818 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.595 15.903 17.071 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.177 13.837 20.539 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.680 15.336 19.723 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.724 15.417 21.221 1.00 0.00 H new ATOM 307 N GLU A 20 15.772 19.475 18.614 1.00 0.00 N ATOM 308 CA GLU A 20 15.428 20.713 17.936 1.00 0.00 C ATOM 309 C GLU A 20 16.696 21.435 17.474 1.00 0.00 C ATOM 310 O GLU A 20 16.656 22.226 16.533 1.00 0.00 O ATOM 311 CB GLU A 20 14.582 21.614 18.837 1.00 0.00 C ATOM 312 CG GLU A 20 13.089 21.400 18.580 1.00 0.00 C ATOM 313 CD GLU A 20 12.300 22.687 18.826 1.00 0.00 C ATOM 314 OE1 GLU A 20 12.217 23.085 20.009 1.00 0.00 O ATOM 315 OE2 GLU A 20 11.797 23.245 17.827 1.00 0.00 O ATOM 0 H GLU A 20 15.806 19.541 19.631 1.00 0.00 H new ATOM 0 HA GLU A 20 14.831 20.470 17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.808 21.404 19.882 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.839 22.658 18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.937 21.067 17.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.714 20.610 19.230 1.00 0.00 H new ATOM 322 N LEU A 21 17.791 21.136 18.157 1.00 0.00 N ATOM 323 CA LEU A 21 19.068 21.747 17.828 1.00 0.00 C ATOM 324 C LEU A 21 19.568 21.186 16.495 1.00 0.00 C ATOM 325 O LEU A 21 20.055 21.932 15.647 1.00 0.00 O ATOM 326 CB LEU A 21 20.059 21.570 18.980 1.00 0.00 C ATOM 327 CG LEU A 21 20.025 22.648 20.065 1.00 0.00 C ATOM 328 CD1 LEU A 21 20.130 22.027 21.459 1.00 0.00 C ATOM 329 CD2 LEU A 21 21.108 23.702 19.824 1.00 0.00 C ATOM 0 H LEU A 21 17.821 20.479 18.937 1.00 0.00 H new ATOM 0 HA LEU A 21 18.954 22.823 17.699 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.872 20.604 19.449 1.00 0.00 H new ATOM 0 HB3 LEU A 21 21.066 21.532 18.564 1.00 0.00 H new ATOM 0 HG LEU A 21 19.062 23.157 20.011 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.103 22.815 22.211 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.294 21.346 21.618 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.067 21.477 21.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.062 24.457 20.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 22.088 23.226 19.835 1.00 0.00 H new ATOM 0 HD23 LEU A 21 20.946 24.175 18.856 1.00 0.00 H new ATOM 341 N VAL A 22 19.432 19.876 16.352 1.00 0.00 N ATOM 342 CA VAL A 22 19.864 19.206 15.137 1.00 0.00 C ATOM 343 C VAL A 22 18.923 19.582 13.991 1.00 0.00 C ATOM 344 O VAL A 22 19.360 19.750 12.853 1.00 0.00 O ATOM 345 CB VAL A 22 19.946 17.697 15.372 1.00 0.00 C ATOM 346 CG1 VAL A 22 20.484 16.977 14.134 1.00 0.00 C ATOM 347 CG2 VAL A 22 20.797 17.379 16.603 1.00 0.00 C ATOM 0 H VAL A 22 19.028 19.260 17.058 1.00 0.00 H new ATOM 0 HA VAL A 22 20.865 19.532 14.856 1.00 0.00 H new ATOM 0 HB VAL A 22 18.936 17.333 15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.532 15.906 14.328 1.00 0.00 H new ATOM 0 HG12 VAL A 22 19.822 17.163 13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 22 21.482 17.349 13.902 1.00 0.00 H new ATOM 0 HG21 VAL A 22 20.839 16.299 16.747 1.00 0.00 H new ATOM 0 HG22 VAL A 22 21.806 17.765 16.457 1.00 0.00 H new ATOM 0 HG23 VAL A 22 20.353 17.846 17.482 1.00 0.00 H new ATOM 357 N LYS A 23 17.648 19.704 14.330 1.00 0.00 N ATOM 358 CA LYS A 23 16.642 20.058 13.343 1.00 0.00 C ATOM 359 C LYS A 23 16.816 21.525 12.946 1.00 0.00 C ATOM 360 O LYS A 23 16.290 21.962 11.923 1.00 0.00 O ATOM 361 CB LYS A 23 15.242 19.723 13.862 1.00 0.00 C ATOM 362 CG LYS A 23 14.555 20.967 14.429 1.00 0.00 C ATOM 363 CD LYS A 23 13.880 21.775 13.320 1.00 0.00 C ATOM 364 CE LYS A 23 12.469 22.200 13.731 1.00 0.00 C ATOM 365 NZ LYS A 23 11.455 21.429 12.977 1.00 0.00 N ATOM 0 H LYS A 23 17.289 19.564 15.274 1.00 0.00 H new ATOM 0 HA LYS A 23 16.772 19.466 12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.640 19.308 13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.310 18.957 14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.813 20.671 15.171 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.288 21.589 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.478 22.658 13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.833 21.179 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.333 22.043 14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.336 23.266 13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.503 21.730 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.576 21.600 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.573 20.415 13.174 1.00 0.00 H new ATOM 379 N LYS A 24 17.555 22.246 13.776 1.00 0.00 N ATOM 380 CA LYS A 24 17.805 23.655 13.525 1.00 0.00 C ATOM 381 C LYS A 24 19.242 23.833 13.029 1.00 0.00 C ATOM 382 O LYS A 24 19.553 24.816 12.359 1.00 0.00 O ATOM 383 CB LYS A 24 17.475 24.487 14.765 1.00 0.00 C ATOM 384 CG LYS A 24 17.137 25.930 14.384 1.00 0.00 C ATOM 385 CD LYS A 24 17.476 26.892 15.523 1.00 0.00 C ATOM 386 CE LYS A 24 18.923 27.377 15.419 1.00 0.00 C ATOM 387 NZ LYS A 24 19.823 26.490 16.189 1.00 0.00 N ATOM 0 H LYS A 24 17.989 21.880 14.624 1.00 0.00 H new ATOM 0 HA LYS A 24 17.147 24.024 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.633 24.040 15.294 1.00 0.00 H new ATOM 0 HB3 LYS A 24 18.323 24.477 15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.690 26.212 13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.077 26.007 14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.800 27.746 15.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.323 26.395 16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.231 27.399 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.999 28.397 15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.462 27.066 16.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.257 25.870 16.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.383 25.909 15.533 1.00 0.00 H new ATOM 401 N TYR A 25 20.078 22.867 13.378 1.00 0.00 N ATOM 402 CA TYR A 25 21.474 22.904 12.977 1.00 0.00 C ATOM 403 C TYR A 25 21.669 22.251 11.607 1.00 0.00 C ATOM 404 O TYR A 25 22.176 22.882 10.681 1.00 0.00 O ATOM 405 CB TYR A 25 22.237 22.095 14.027 1.00 0.00 C ATOM 406 CG TYR A 25 22.614 22.896 15.276 1.00 0.00 C ATOM 407 CD1 TYR A 25 21.884 24.014 15.625 1.00 0.00 C ATOM 408 CD2 TYR A 25 23.683 22.499 16.053 1.00 0.00 C ATOM 409 CE1 TYR A 25 22.238 24.767 16.800 1.00 0.00 C ATOM 410 CE2 TYR A 25 24.037 23.252 17.229 1.00 0.00 C ATOM 411 CZ TYR A 25 23.297 24.349 17.544 1.00 0.00 C ATOM 412 OH TYR A 25 23.632 25.060 18.654 1.00 0.00 O ATOM 0 H TYR A 25 19.816 22.053 13.934 1.00 0.00 H new ATOM 0 HA TYR A 25 21.825 23.934 12.907 1.00 0.00 H new ATOM 0 HB2 TYR A 25 21.629 21.241 14.325 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.146 21.697 13.575 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.047 24.324 15.017 1.00 0.00 H new ATOM 0 HD2 TYR A 25 24.254 21.624 15.780 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.675 25.644 17.084 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.871 22.952 17.846 1.00 0.00 H new ATOM 0 HH TYR A 25 24.407 24.645 19.087 1.00 0.00 H new ATOM 422 N GLY A 26 21.256 20.995 11.522 1.00 0.00 N ATOM 423 CA GLY A 26 21.378 20.249 10.281 1.00 0.00 C ATOM 424 C GLY A 26 22.728 20.517 9.612 1.00 0.00 C ATOM 425 O GLY A 26 22.913 21.551 8.972 1.00 0.00 O ATOM 0 H GLY A 26 20.836 20.475 12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.272 19.183 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 26 20.571 20.528 9.604 1.00 0.00 H new ATOM 429 N THR A 27 23.636 19.566 9.782 1.00 0.00 N ATOM 430 CA THR A 27 24.962 19.686 9.202 1.00 0.00 C ATOM 431 C THR A 27 25.851 18.528 9.660 1.00 0.00 C ATOM 432 O THR A 27 26.279 17.710 8.847 1.00 0.00 O ATOM 433 CB THR A 27 25.518 21.062 9.574 1.00 0.00 C ATOM 434 OG1 THR A 27 26.929 20.915 9.439 1.00 0.00 O ATOM 435 CG2 THR A 27 25.319 21.394 11.055 1.00 0.00 C ATOM 0 H THR A 27 23.479 18.710 10.313 1.00 0.00 H new ATOM 0 HA THR A 27 24.926 19.617 8.115 1.00 0.00 H new ATOM 0 HB THR A 27 25.036 21.825 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 27 27.369 21.762 9.660 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.731 22.381 11.265 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.255 21.388 11.289 1.00 0.00 H new ATOM 0 HG23 THR A 27 25.829 20.650 11.666 1.00 0.00 H new ATOM 443 N LYS A 28 26.103 18.496 10.960 1.00 0.00 N ATOM 444 CA LYS A 28 26.933 17.451 11.536 1.00 0.00 C ATOM 445 C LYS A 28 27.275 17.817 12.982 1.00 0.00 C ATOM 446 O LYS A 28 28.446 17.855 13.356 1.00 0.00 O ATOM 447 CB LYS A 28 28.161 17.198 10.659 1.00 0.00 C ATOM 448 CG LYS A 28 28.154 15.773 10.104 1.00 0.00 C ATOM 449 CD LYS A 28 28.854 15.710 8.745 1.00 0.00 C ATOM 450 CE LYS A 28 28.436 14.459 7.970 1.00 0.00 C ATOM 451 NZ LYS A 28 29.009 13.246 8.595 1.00 0.00 N ATOM 0 H LYS A 28 25.747 19.177 11.631 1.00 0.00 H new ATOM 0 HA LYS A 28 26.391 16.506 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 28 28.178 17.913 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 28 29.068 17.361 11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 28.652 15.104 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.127 15.423 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 28 28.610 16.600 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 29.935 15.709 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 28 27.349 14.385 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 28 28.772 14.536 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.715 12.406 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 30.047 13.312 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 28.668 13.166 9.574 1.00 0.00 H new ATOM 465 N GLN A 29 26.231 18.076 13.756 1.00 0.00 N ATOM 466 CA GLN A 29 26.406 18.437 15.152 1.00 0.00 C ATOM 467 C GLN A 29 25.824 17.350 16.058 1.00 0.00 C ATOM 468 O GLN A 29 24.615 17.308 16.285 1.00 0.00 O ATOM 469 CB GLN A 29 25.773 19.797 15.451 1.00 0.00 C ATOM 470 CG GLN A 29 26.537 20.923 14.751 1.00 0.00 C ATOM 471 CD GLN A 29 26.574 22.182 15.619 1.00 0.00 C ATOM 472 OE1 GLN A 29 26.027 23.251 15.045 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 27.066 22.184 16.735 1.00 0.00 N flip ATOM 0 H GLN A 29 25.261 18.043 13.442 1.00 0.00 H new ATOM 0 HA GLN A 29 27.474 18.519 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 29 24.734 19.799 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 29 25.767 19.971 16.527 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.554 20.597 14.534 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.064 21.149 13.796 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.469 21.328 17.116 1.00 0.00 H new ATOM 0 HE22 GLN A 29 27.074 23.042 17.287 1.00 0.00 H new ATOM 482 N TRP A 30 26.710 16.498 16.552 1.00 0.00 N ATOM 483 CA TRP A 30 26.299 15.415 17.429 1.00 0.00 C ATOM 484 C TRP A 30 26.872 15.688 18.820 1.00 0.00 C ATOM 485 O TRP A 30 26.570 14.970 19.772 1.00 0.00 O ATOM 486 CB TRP A 30 26.726 14.059 16.862 1.00 0.00 C ATOM 487 CG TRP A 30 25.670 13.394 15.977 1.00 0.00 C ATOM 488 CD1 TRP A 30 25.661 13.288 14.641 1.00 0.00 C ATOM 489 CD2 TRP A 30 24.462 12.741 16.422 1.00 0.00 C ATOM 490 NE1 TRP A 30 24.540 12.618 14.195 1.00 0.00 N ATOM 491 CE2 TRP A 30 23.788 12.275 15.312 1.00 0.00 C ATOM 492 CE3 TRP A 30 23.956 12.551 17.720 1.00 0.00 C ATOM 493 CZ2 TRP A 30 22.570 11.589 15.387 1.00 0.00 C ATOM 494 CZ3 TRP A 30 22.738 11.864 17.778 1.00 0.00 C ATOM 495 CH2 TRP A 30 22.047 11.389 16.670 1.00 0.00 C ATOM 0 H TRP A 30 27.711 16.536 16.362 1.00 0.00 H new ATOM 0 HA TRP A 30 25.212 15.371 17.504 1.00 0.00 H new ATOM 0 HB2 TRP A 30 27.640 14.190 16.283 1.00 0.00 H new ATOM 0 HB3 TRP A 30 26.966 13.390 17.689 1.00 0.00 H new ATOM 0 HD1 TRP A 30 26.434 13.678 13.995 1.00 0.00 H new ATOM 0 HE1 TRP A 30 24.306 12.412 13.224 1.00 0.00 H new ATOM 0 HE3 TRP A 30 24.467 12.907 18.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 22.061 11.233 14.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 22.305 11.691 18.752 1.00 0.00 H new ATOM 0 HH2 TRP A 30 21.110 10.867 16.798 1.00 0.00 H new ATOM 506 N THR A 31 27.689 16.729 18.895 1.00 0.00 N ATOM 507 CA THR A 31 28.307 17.107 20.154 1.00 0.00 C ATOM 508 C THR A 31 27.361 17.991 20.969 1.00 0.00 C ATOM 509 O THR A 31 27.139 17.743 22.153 1.00 0.00 O ATOM 510 CB THR A 31 29.646 17.777 19.841 1.00 0.00 C ATOM 511 OG1 THR A 31 30.595 17.024 20.592 1.00 0.00 O ATOM 512 CG2 THR A 31 29.745 19.188 20.425 1.00 0.00 C ATOM 0 H THR A 31 27.937 17.322 18.103 1.00 0.00 H new ATOM 0 HA THR A 31 28.502 16.234 20.777 1.00 0.00 H new ATOM 0 HB THR A 31 29.787 17.820 18.761 1.00 0.00 H new ATOM 0 HG1 THR A 31 31.492 17.390 20.446 1.00 0.00 H new ATOM 0 HG21 THR A 31 30.714 19.618 20.174 1.00 0.00 H new ATOM 0 HG22 THR A 31 28.953 19.810 20.009 1.00 0.00 H new ATOM 0 HG23 THR A 31 29.638 19.142 21.509 1.00 0.00 H new ATOM 520 N LEU A 32 26.827 19.004 20.302 1.00 0.00 N ATOM 521 CA LEU A 32 25.910 19.926 20.949 1.00 0.00 C ATOM 522 C LEU A 32 24.810 19.131 21.658 1.00 0.00 C ATOM 523 O LEU A 32 24.190 19.625 22.598 1.00 0.00 O ATOM 524 CB LEU A 32 25.379 20.948 19.943 1.00 0.00 C ATOM 525 CG LEU A 32 23.966 20.695 19.412 1.00 0.00 C ATOM 526 CD1 LEU A 32 23.880 19.342 18.704 1.00 0.00 C ATOM 527 CD2 LEU A 32 22.929 20.825 20.530 1.00 0.00 C ATOM 0 H LEU A 32 27.012 19.206 19.320 1.00 0.00 H new ATOM 0 HA LEU A 32 26.428 20.506 21.713 1.00 0.00 H new ATOM 0 HB2 LEU A 32 25.399 21.933 20.410 1.00 0.00 H new ATOM 0 HB3 LEU A 32 26.063 20.983 19.095 1.00 0.00 H new ATOM 0 HG LEU A 32 23.737 21.460 18.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.866 19.187 18.337 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.576 19.325 17.865 1.00 0.00 H new ATOM 0 HD13 LEU A 32 24.137 18.548 19.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 21.934 20.641 20.126 1.00 0.00 H new ATOM 0 HD22 LEU A 32 23.144 20.097 21.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 22.970 21.830 20.949 1.00 0.00 H new ATOM 539 N ILE A 33 24.602 17.914 21.178 1.00 0.00 N ATOM 540 CA ILE A 33 23.589 17.046 21.754 1.00 0.00 C ATOM 541 C ILE A 33 24.048 16.579 23.136 1.00 0.00 C ATOM 542 O ILE A 33 23.272 16.592 24.090 1.00 0.00 O ATOM 543 CB ILE A 33 23.257 15.900 20.796 1.00 0.00 C ATOM 544 CG1 ILE A 33 22.433 16.400 19.607 1.00 0.00 C ATOM 545 CG2 ILE A 33 22.563 14.753 21.532 1.00 0.00 C ATOM 546 CD1 ILE A 33 23.305 16.547 18.359 1.00 0.00 C ATOM 0 H ILE A 33 25.117 17.508 20.397 1.00 0.00 H new ATOM 0 HA ILE A 33 22.656 17.592 21.896 1.00 0.00 H new ATOM 0 HB ILE A 33 24.192 15.507 20.397 1.00 0.00 H new ATOM 0 HG12 ILE A 33 21.619 15.704 19.406 1.00 0.00 H new ATOM 0 HG13 ILE A 33 21.979 17.360 19.853 1.00 0.00 H new ATOM 0 HG21 ILE A 33 22.338 13.952 20.828 1.00 0.00 H new ATOM 0 HG22 ILE A 33 23.219 14.374 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 21.636 15.115 21.978 1.00 0.00 H new ATOM 0 HD11 ILE A 33 22.695 16.904 17.529 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.104 17.262 18.556 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.738 15.580 18.102 1.00 0.00 H new ATOM 558 N ALA A 34 25.309 16.176 23.200 1.00 0.00 N ATOM 559 CA ALA A 34 25.882 15.705 24.450 1.00 0.00 C ATOM 560 C ALA A 34 26.691 16.833 25.092 1.00 0.00 C ATOM 561 O ALA A 34 27.532 16.585 25.955 1.00 0.00 O ATOM 562 CB ALA A 34 26.728 14.458 24.186 1.00 0.00 C ATOM 0 H ALA A 34 25.950 16.166 22.407 1.00 0.00 H new ATOM 0 HA ALA A 34 25.096 15.423 25.150 1.00 0.00 H new ATOM 0 HB1 ALA A 34 27.158 14.105 25.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 26.100 13.677 23.757 1.00 0.00 H new ATOM 0 HB3 ALA A 34 27.529 14.703 23.489 1.00 0.00 H new ATOM 568 N LYS A 35 26.409 18.049 24.647 1.00 0.00 N ATOM 569 CA LYS A 35 27.100 19.216 25.167 1.00 0.00 C ATOM 570 C LYS A 35 26.102 20.105 25.911 1.00 0.00 C ATOM 571 O LYS A 35 26.463 20.777 26.876 1.00 0.00 O ATOM 572 CB LYS A 35 27.850 19.938 24.047 1.00 0.00 C ATOM 573 CG LYS A 35 29.044 20.719 24.600 1.00 0.00 C ATOM 574 CD LYS A 35 28.882 22.220 24.350 1.00 0.00 C ATOM 575 CE LYS A 35 29.785 22.685 23.206 1.00 0.00 C ATOM 576 NZ LYS A 35 30.612 23.835 23.634 1.00 0.00 N ATOM 0 H LYS A 35 25.711 18.251 23.931 1.00 0.00 H new ATOM 0 HA LYS A 35 27.861 18.918 25.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 28.195 19.213 23.310 1.00 0.00 H new ATOM 0 HB3 LYS A 35 27.173 20.619 23.532 1.00 0.00 H new ATOM 0 HG2 LYS A 35 29.140 20.533 25.670 1.00 0.00 H new ATOM 0 HG3 LYS A 35 29.962 20.366 24.131 1.00 0.00 H new ATOM 0 HD2 LYS A 35 27.842 22.442 24.111 1.00 0.00 H new ATOM 0 HD3 LYS A 35 29.125 22.772 25.258 1.00 0.00 H new ATOM 0 HE2 LYS A 35 30.429 21.865 22.887 1.00 0.00 H new ATOM 0 HE3 LYS A 35 29.177 22.967 22.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 31.219 24.138 22.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 29.993 24.621 23.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 31.206 23.555 24.440 1.00 0.00 H new ATOM 590 N HIS A 36 24.865 20.078 25.435 1.00 0.00 N ATOM 591 CA HIS A 36 23.812 20.873 26.044 1.00 0.00 C ATOM 592 C HIS A 36 23.201 20.105 27.217 1.00 0.00 C ATOM 593 O HIS A 36 23.100 20.631 28.324 1.00 0.00 O ATOM 594 CB HIS A 36 22.773 21.287 25.000 1.00 0.00 C ATOM 595 CG HIS A 36 23.339 22.089 23.853 1.00 0.00 C ATOM 596 ND1 HIS A 36 24.535 21.993 23.203 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 22.651 23.129 23.253 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 24.574 22.923 22.257 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 23.407 23.629 22.287 1.00 0.00 N flip ATOM 0 H HIS A 36 24.569 19.518 24.635 1.00 0.00 H new ATOM 0 HA HIS A 36 24.232 21.797 26.441 1.00 0.00 H new ATOM 0 HB2 HIS A 36 22.296 20.391 24.603 1.00 0.00 H new ATOM 0 HB3 HIS A 36 21.995 21.872 25.490 1.00 0.00 H new ATOM 0 HD2 HIS A 36 21.665 23.474 23.526 1.00 0.00 H new ATOM 0 HE1 HIS A 36 25.394 23.093 21.576 1.00 0.00 H new ATOM 0 HE2 HIS A 36 23.160 24.405 21.673 1.00 0.00 H new ATOM 607 N LEU A 37 22.810 18.871 26.934 1.00 0.00 N ATOM 608 CA LEU A 37 22.211 18.024 27.952 1.00 0.00 C ATOM 609 C LEU A 37 23.319 17.339 28.756 1.00 0.00 C ATOM 610 O LEU A 37 23.716 16.218 28.442 1.00 0.00 O ATOM 611 CB LEU A 37 21.217 17.048 27.321 1.00 0.00 C ATOM 612 CG LEU A 37 20.416 17.582 26.131 1.00 0.00 C ATOM 613 CD1 LEU A 37 19.502 16.499 25.555 1.00 0.00 C ATOM 614 CD2 LEU A 37 19.638 18.843 26.516 1.00 0.00 C ATOM 0 H LEU A 37 22.896 18.437 26.015 1.00 0.00 H new ATOM 0 HA LEU A 37 21.631 18.624 28.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.764 16.162 26.998 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.516 16.726 28.091 1.00 0.00 H new ATOM 0 HG LEU A 37 21.117 17.863 25.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.944 16.905 24.711 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.105 15.655 25.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.805 16.165 26.323 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.077 19.202 25.653 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.947 18.611 27.327 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.335 19.615 26.843 1.00 0.00 H new ATOM 626 N LYS A 38 23.787 18.043 29.776 1.00 0.00 N ATOM 627 CA LYS A 38 24.841 17.517 30.627 1.00 0.00 C ATOM 628 C LYS A 38 24.230 16.574 31.665 1.00 0.00 C ATOM 629 O LYS A 38 23.115 16.085 31.485 1.00 0.00 O ATOM 630 CB LYS A 38 25.656 18.658 31.238 1.00 0.00 C ATOM 631 CG LYS A 38 27.110 18.607 30.765 1.00 0.00 C ATOM 632 CD LYS A 38 27.353 19.604 29.629 1.00 0.00 C ATOM 633 CE LYS A 38 28.752 20.216 29.726 1.00 0.00 C ATOM 634 NZ LYS A 38 28.749 21.372 30.650 1.00 0.00 N ATOM 0 H LYS A 38 23.456 18.973 30.032 1.00 0.00 H new ATOM 0 HA LYS A 38 25.547 16.931 30.039 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.213 19.615 30.961 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.621 18.593 32.325 1.00 0.00 H new ATOM 0 HG2 LYS A 38 27.775 18.831 31.599 1.00 0.00 H new ATOM 0 HG3 LYS A 38 27.351 17.599 30.427 1.00 0.00 H new ATOM 0 HD2 LYS A 38 27.238 19.102 28.669 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.603 20.394 29.667 1.00 0.00 H new ATOM 0 HE2 LYS A 38 29.460 19.465 30.076 1.00 0.00 H new ATOM 0 HE3 LYS A 38 29.086 20.533 28.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 29.706 21.776 30.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 28.088 22.095 30.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.451 21.059 31.596 1.00 0.00 H new ATOM 648 N GLY A 39 24.986 16.346 32.729 1.00 0.00 N ATOM 649 CA GLY A 39 24.533 15.470 33.796 1.00 0.00 C ATOM 650 C GLY A 39 24.754 14.001 33.431 1.00 0.00 C ATOM 651 O GLY A 39 25.332 13.244 34.210 1.00 0.00 O ATOM 0 H GLY A 39 25.910 16.753 32.875 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.069 15.704 34.716 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.475 15.645 33.990 1.00 0.00 H new ATOM 655 N ARG A 40 24.283 13.641 32.246 1.00 0.00 N ATOM 656 CA ARG A 40 24.422 12.276 31.768 1.00 0.00 C ATOM 657 C ARG A 40 24.817 12.269 30.290 1.00 0.00 C ATOM 658 O ARG A 40 24.997 13.326 29.686 1.00 0.00 O ATOM 659 CB ARG A 40 23.119 11.495 31.945 1.00 0.00 C ATOM 660 CG ARG A 40 22.989 10.962 33.373 1.00 0.00 C ATOM 661 CD ARG A 40 21.985 11.789 34.178 1.00 0.00 C ATOM 662 NE ARG A 40 20.755 11.002 34.415 1.00 0.00 N ATOM 663 CZ ARG A 40 19.733 11.417 35.176 1.00 0.00 C ATOM 664 NH1 ARG A 40 19.788 12.612 35.778 1.00 0.00 N ATOM 665 NH2 ARG A 40 18.656 10.635 35.335 1.00 0.00 N ATOM 0 H ARG A 40 23.804 14.271 31.603 1.00 0.00 H new ATOM 0 HA ARG A 40 25.202 11.796 32.358 1.00 0.00 H new ATOM 0 HB2 ARG A 40 22.271 12.139 31.715 1.00 0.00 H new ATOM 0 HB3 ARG A 40 23.090 10.665 31.239 1.00 0.00 H new ATOM 0 HG2 ARG A 40 22.670 9.920 33.348 1.00 0.00 H new ATOM 0 HG3 ARG A 40 23.962 10.986 33.864 1.00 0.00 H new ATOM 0 HD2 ARG A 40 22.426 12.085 35.130 1.00 0.00 H new ATOM 0 HD3 ARG A 40 21.742 12.705 33.640 1.00 0.00 H new ATOM 0 HE ARG A 40 20.680 10.086 33.972 1.00 0.00 H new ATOM 0 HH11 ARG A 40 20.608 13.207 35.657 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.010 12.928 36.357 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.615 9.725 34.877 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.878 10.950 35.914 1.00 0.00 H new ATOM 679 N LEU A 41 24.940 11.066 29.749 1.00 0.00 N ATOM 680 CA LEU A 41 25.310 10.907 28.353 1.00 0.00 C ATOM 681 C LEU A 41 24.127 11.306 27.468 1.00 0.00 C ATOM 682 O LEU A 41 22.972 11.159 27.865 1.00 0.00 O ATOM 683 CB LEU A 41 25.822 9.489 28.092 1.00 0.00 C ATOM 684 CG LEU A 41 27.331 9.283 28.239 1.00 0.00 C ATOM 685 CD1 LEU A 41 28.084 9.878 27.049 1.00 0.00 C ATOM 686 CD2 LEU A 41 27.832 9.842 29.573 1.00 0.00 C ATOM 0 H LEU A 41 24.790 10.192 30.253 1.00 0.00 H new ATOM 0 HA LEU A 41 26.137 11.571 28.100 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.314 8.809 28.776 1.00 0.00 H new ATOM 0 HB3 LEU A 41 25.533 9.200 27.082 1.00 0.00 H new ATOM 0 HG LEU A 41 27.531 8.212 28.243 1.00 0.00 H new ATOM 0 HD11 LEU A 41 29.154 9.718 27.179 1.00 0.00 H new ATOM 0 HD12 LEU A 41 27.753 9.394 26.130 1.00 0.00 H new ATOM 0 HD13 LEU A 41 27.882 10.947 26.988 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.907 9.683 29.653 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.618 10.910 29.623 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.328 9.332 30.394 1.00 0.00 H new ATOM 698 N GLY A 42 24.456 11.803 26.284 1.00 0.00 N ATOM 699 CA GLY A 42 23.435 12.225 25.340 1.00 0.00 C ATOM 700 C GLY A 42 22.218 11.299 25.399 1.00 0.00 C ATOM 701 O GLY A 42 22.359 10.095 25.607 1.00 0.00 O ATOM 0 H GLY A 42 25.415 11.923 25.957 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.130 13.248 25.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.846 12.227 24.331 1.00 0.00 H new ATOM 705 N LYS A 43 21.051 11.897 25.212 1.00 0.00 N ATOM 706 CA LYS A 43 19.810 11.142 25.241 1.00 0.00 C ATOM 707 C LYS A 43 19.823 10.104 24.117 1.00 0.00 C ATOM 708 O LYS A 43 19.229 10.319 23.061 1.00 0.00 O ATOM 709 CB LYS A 43 18.607 12.086 25.192 1.00 0.00 C ATOM 710 CG LYS A 43 17.372 11.434 25.819 1.00 0.00 C ATOM 711 CD LYS A 43 16.422 10.909 24.740 1.00 0.00 C ATOM 712 CE LYS A 43 15.241 10.165 25.365 1.00 0.00 C ATOM 713 NZ LYS A 43 13.960 10.702 24.853 1.00 0.00 N ATOM 0 H LYS A 43 20.938 12.896 25.040 1.00 0.00 H new ATOM 0 HA LYS A 43 19.719 10.595 26.180 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.843 13.009 25.721 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.394 12.356 24.158 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.679 10.614 26.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.852 12.159 26.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.055 11.740 24.138 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.962 10.242 24.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.313 9.101 25.138 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.275 10.263 26.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.169 10.186 25.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.887 11.712 25.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.923 10.586 23.820 1.00 0.00 H new ATOM 727 N GLN A 44 20.507 9.001 24.381 1.00 0.00 N ATOM 728 CA GLN A 44 20.606 7.929 23.405 1.00 0.00 C ATOM 729 C GLN A 44 21.339 8.417 22.154 1.00 0.00 C ATOM 730 O GLN A 44 20.712 8.719 21.140 1.00 0.00 O ATOM 731 CB GLN A 44 19.222 7.382 23.050 1.00 0.00 C ATOM 732 CG GLN A 44 18.811 6.265 24.012 1.00 0.00 C ATOM 733 CD GLN A 44 17.759 6.759 25.008 1.00 0.00 C ATOM 734 OE1 GLN A 44 16.564 6.679 24.777 1.00 0.00 O ATOM 735 NE2 GLN A 44 18.269 7.271 26.124 1.00 0.00 N ATOM 0 H GLN A 44 20.999 8.826 25.257 1.00 0.00 H new ATOM 0 HA GLN A 44 21.181 7.114 23.845 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.488 8.187 23.087 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.228 7.003 22.028 1.00 0.00 H new ATOM 0 HG2 GLN A 44 18.414 5.421 23.447 1.00 0.00 H new ATOM 0 HG3 GLN A 44 19.687 5.904 24.551 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.280 7.307 26.253 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.649 7.627 26.851 1.00 0.00 H new ATOM 744 N CYS A 45 22.658 8.478 22.266 1.00 0.00 N ATOM 745 CA CYS A 45 23.484 8.924 21.157 1.00 0.00 C ATOM 746 C CYS A 45 23.094 8.120 19.915 1.00 0.00 C ATOM 747 O CYS A 45 22.905 6.907 19.990 1.00 0.00 O ATOM 748 CB CYS A 45 24.975 8.796 21.475 1.00 0.00 C ATOM 749 SG CYS A 45 25.452 7.031 21.541 1.00 0.00 S ATOM 0 H CYS A 45 23.175 8.226 23.108 1.00 0.00 H new ATOM 0 HA CYS A 45 23.309 9.984 20.973 1.00 0.00 H new ATOM 0 HB2 CYS A 45 25.563 9.312 20.716 1.00 0.00 H new ATOM 0 HB3 CYS A 45 25.194 9.276 22.429 1.00 0.00 H new ATOM 0 HG CYS A 45 24.511 6.307 21.011 1.00 0.00 H new ATOM 755 N ARG A 46 22.986 8.828 18.800 1.00 0.00 N ATOM 756 CA ARG A 46 22.623 8.196 17.544 1.00 0.00 C ATOM 757 C ARG A 46 21.480 7.201 17.761 1.00 0.00 C ATOM 758 O ARG A 46 21.719 6.018 17.996 1.00 0.00 O ATOM 759 CB ARG A 46 23.817 7.463 16.930 1.00 0.00 C ATOM 760 CG ARG A 46 24.787 8.449 16.275 1.00 0.00 C ATOM 761 CD ARG A 46 26.082 7.748 15.858 1.00 0.00 C ATOM 762 NE ARG A 46 27.033 7.725 16.993 1.00 0.00 N ATOM 763 CZ ARG A 46 27.863 8.731 17.298 1.00 0.00 C ATOM 764 NH1 ARG A 46 27.865 9.847 16.556 1.00 0.00 N ATOM 765 NH2 ARG A 46 28.691 8.622 18.346 1.00 0.00 N ATOM 0 H ARG A 46 23.144 9.834 18.741 1.00 0.00 H new ATOM 0 HA ARG A 46 22.302 8.981 16.859 1.00 0.00 H new ATOM 0 HB2 ARG A 46 24.336 6.895 17.702 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.466 6.746 16.188 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.317 8.902 15.402 1.00 0.00 H new ATOM 0 HG3 ARG A 46 25.014 9.257 16.970 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.866 6.730 15.533 1.00 0.00 H new ATOM 0 HD3 ARG A 46 26.528 8.266 15.009 1.00 0.00 H new ATOM 0 HE ARG A 46 27.057 6.891 17.579 1.00 0.00 H new ATOM 0 HH11 ARG A 46 27.234 9.930 15.759 1.00 0.00 H new ATOM 0 HH12 ARG A 46 28.497 10.613 16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 46 28.689 7.773 18.911 1.00 0.00 H new ATOM 0 HH22 ARG A 46 29.323 9.388 18.578 1.00 0.00 H new ATOM 779 N GLU A 47 20.263 7.719 17.675 1.00 0.00 N ATOM 780 CA GLU A 47 19.083 6.891 17.860 1.00 0.00 C ATOM 781 C GLU A 47 17.840 7.618 17.344 1.00 0.00 C ATOM 782 O GLU A 47 17.574 8.754 17.734 1.00 0.00 O ATOM 783 CB GLU A 47 18.917 6.493 19.327 1.00 0.00 C ATOM 784 CG GLU A 47 19.058 4.980 19.505 1.00 0.00 C ATOM 785 CD GLU A 47 18.064 4.454 20.542 1.00 0.00 C ATOM 786 OE1 GLU A 47 16.852 4.675 20.330 1.00 0.00 O ATOM 787 OE2 GLU A 47 18.539 3.844 21.524 1.00 0.00 O ATOM 0 H GLU A 47 20.069 8.701 17.480 1.00 0.00 H new ATOM 0 HA GLU A 47 19.210 5.975 17.283 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.664 7.005 19.933 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.940 6.815 19.686 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.891 4.481 18.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.075 4.740 19.816 1.00 0.00 H new ATOM 794 N ARG A 48 17.111 6.933 16.475 1.00 0.00 N ATOM 795 CA ARG A 48 15.902 7.499 15.902 1.00 0.00 C ATOM 796 C ARG A 48 16.251 8.439 14.747 1.00 0.00 C ATOM 797 O ARG A 48 15.362 8.971 14.084 1.00 0.00 O ATOM 798 CB ARG A 48 15.102 8.269 16.954 1.00 0.00 C ATOM 799 CG ARG A 48 13.621 7.887 16.905 1.00 0.00 C ATOM 800 CD ARG A 48 12.814 8.687 17.930 1.00 0.00 C ATOM 801 NE ARG A 48 13.314 8.409 19.295 1.00 0.00 N ATOM 802 CZ ARG A 48 13.133 7.248 19.940 1.00 0.00 C ATOM 803 NH1 ARG A 48 12.463 6.250 19.347 1.00 0.00 N ATOM 804 NH2 ARG A 48 13.621 7.085 21.177 1.00 0.00 N ATOM 0 H ARG A 48 17.335 5.991 16.154 1.00 0.00 H new ATOM 0 HA ARG A 48 15.293 6.674 15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 48 15.503 8.059 17.946 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.211 9.341 16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 48 13.228 8.069 15.905 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.510 6.821 17.102 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.892 9.753 17.715 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.759 8.424 17.860 1.00 0.00 H new ATOM 0 HE ARG A 48 13.829 9.147 19.775 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.091 6.374 18.405 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.325 5.366 19.837 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.131 7.845 21.628 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.483 6.201 21.667 1.00 0.00 H new ATOM 818 N TRP A 49 17.549 8.617 14.542 1.00 0.00 N ATOM 819 CA TRP A 49 18.027 9.484 13.479 1.00 0.00 C ATOM 820 C TRP A 49 19.064 8.708 12.666 1.00 0.00 C ATOM 821 O TRP A 49 18.829 8.382 11.503 1.00 0.00 O ATOM 822 CB TRP A 49 18.572 10.797 14.046 1.00 0.00 C ATOM 823 CG TRP A 49 17.520 11.898 14.187 1.00 0.00 C ATOM 824 CD1 TRP A 49 16.266 11.907 13.715 1.00 0.00 C ATOM 825 CD2 TRP A 49 17.683 13.160 14.869 1.00 0.00 C ATOM 826 NE1 TRP A 49 15.611 13.077 14.041 1.00 0.00 N ATOM 827 CE2 TRP A 49 16.500 13.864 14.764 1.00 0.00 C ATOM 828 CE3 TRP A 49 18.792 13.690 15.550 1.00 0.00 C ATOM 829 CZ2 TRP A 49 16.313 15.136 15.318 1.00 0.00 C ATOM 830 CZ3 TRP A 49 18.590 14.962 16.098 1.00 0.00 C ATOM 831 CH2 TRP A 49 17.405 15.683 16.002 1.00 0.00 C ATOM 0 H TRP A 49 18.284 8.175 15.095 1.00 0.00 H new ATOM 0 HA TRP A 49 17.209 9.770 12.817 1.00 0.00 H new ATOM 0 HB2 TRP A 49 19.013 10.603 15.024 1.00 0.00 H new ATOM 0 HB3 TRP A 49 19.373 11.155 13.400 1.00 0.00 H new ATOM 0 HD1 TRP A 49 15.823 11.100 13.150 1.00 0.00 H new ATOM 0 HE1 TRP A 49 14.651 13.320 13.796 1.00 0.00 H new ATOM 0 HE3 TRP A 49 19.727 13.158 15.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 15.377 15.666 15.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 19.412 15.415 16.633 1.00 0.00 H new ATOM 0 HH2 TRP A 49 17.327 16.661 16.453 1.00 0.00 H new ATOM 842 N HIS A 50 20.189 8.433 13.310 1.00 0.00 N ATOM 843 CA HIS A 50 21.263 7.701 12.660 1.00 0.00 C ATOM 844 C HIS A 50 20.737 6.354 12.160 1.00 0.00 C ATOM 845 O HIS A 50 20.675 6.116 10.955 1.00 0.00 O ATOM 846 CB HIS A 50 22.465 7.557 13.596 1.00 0.00 C ATOM 847 CG HIS A 50 23.801 7.666 12.900 1.00 0.00 C ATOM 848 ND1 HIS A 50 24.523 6.560 12.485 1.00 0.00 N ATOM 849 CD2 HIS A 50 24.537 8.760 12.549 1.00 0.00 C ATOM 850 CE1 HIS A 50 25.642 6.982 11.914 1.00 0.00 C ATOM 851 NE2 HIS A 50 25.648 8.345 11.955 1.00 0.00 N ATOM 0 H HIS A 50 20.380 8.704 14.275 1.00 0.00 H new ATOM 0 HA HIS A 50 21.615 8.259 11.792 1.00 0.00 H new ATOM 0 HB2 HIS A 50 22.405 8.324 14.368 1.00 0.00 H new ATOM 0 HB3 HIS A 50 22.407 6.592 14.100 1.00 0.00 H new ATOM 0 HD2 HIS A 50 24.262 9.789 12.725 1.00 0.00 H new ATOM 0 HE1 HIS A 50 26.414 6.356 11.491 1.00 0.00 H new ATOM 0 HE2 HIS A 50 26.386 8.947 11.589 1.00 0.00 H new ATOM 859 N ASN A 51 20.370 5.508 13.112 1.00 0.00 N ATOM 860 CA ASN A 51 19.851 4.191 12.783 1.00 0.00 C ATOM 861 C ASN A 51 18.330 4.267 12.644 1.00 0.00 C ATOM 862 O ASN A 51 17.601 3.991 13.596 1.00 0.00 O ATOM 863 CB ASN A 51 20.175 3.180 13.885 1.00 0.00 C ATOM 864 CG ASN A 51 21.347 3.661 14.743 1.00 0.00 C ATOM 865 OD1 ASN A 51 21.049 4.681 15.543 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 22.449 3.141 14.683 1.00 0.00 N flip ATOM 0 H ASN A 51 20.422 5.709 14.111 1.00 0.00 H new ATOM 0 HA ASN A 51 20.315 3.869 11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 51 19.298 3.028 14.514 1.00 0.00 H new ATOM 0 HB3 ASN A 51 20.418 2.216 13.439 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.611 2.360 14.047 1.00 0.00 H new ATOM 0 HD22 ASN A 51 23.209 3.487 15.269 1.00 0.00 H new ATOM 1023 N SER A 61 11.835 3.536 -9.790 1.00 0.00 N ATOM 1024 CA SER A 61 12.782 2.450 -9.600 1.00 0.00 C ATOM 1025 C SER A 61 12.057 1.105 -9.675 1.00 0.00 C ATOM 1026 O SER A 61 10.987 1.004 -10.274 1.00 0.00 O ATOM 1027 CB SER A 61 13.514 2.585 -8.264 1.00 0.00 C ATOM 1028 OG SER A 61 12.812 1.941 -7.204 1.00 0.00 O ATOM 0 HA SER A 61 13.525 2.500 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.512 2.155 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.642 3.641 -8.026 1.00 0.00 H new ATOM 0 HG SER A 61 13.312 2.048 -6.368 1.00 0.00 H new ATOM 1034 N TRP A 62 12.669 0.104 -9.060 1.00 0.00 N ATOM 1035 CA TRP A 62 12.096 -1.231 -9.049 1.00 0.00 C ATOM 1036 C TRP A 62 10.762 -1.167 -8.302 1.00 0.00 C ATOM 1037 O TRP A 62 10.389 -0.118 -7.778 1.00 0.00 O ATOM 1038 CB TRP A 62 13.071 -2.242 -8.444 1.00 0.00 C ATOM 1039 CG TRP A 62 14.419 -2.315 -9.164 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.545 -1.647 -8.878 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.738 -3.132 -10.310 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.562 -1.973 -9.752 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.056 -2.905 -10.651 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.939 -4.034 -11.036 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.691 -3.540 -11.724 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.589 -4.661 -12.105 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.915 -4.443 -12.461 1.00 0.00 C ATOM 0 H TRP A 62 13.557 0.191 -8.565 1.00 0.00 H new ATOM 0 HA TRP A 62 11.910 -1.579 -10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.243 -1.985 -7.399 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.609 -3.229 -8.458 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.644 -0.942 -8.066 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.511 -1.599 -9.741 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.906 -4.227 -10.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.724 -3.344 -11.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.020 -5.364 -12.695 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.344 -4.967 -13.302 1.00 0.00 H new ATOM 1058 N THR A 63 10.078 -2.302 -8.277 1.00 0.00 N ATOM 1059 CA THR A 63 8.794 -2.387 -7.604 1.00 0.00 C ATOM 1060 C THR A 63 8.772 -3.581 -6.647 1.00 0.00 C ATOM 1061 O THR A 63 9.815 -4.158 -6.345 1.00 0.00 O ATOM 1062 CB THR A 63 7.702 -2.446 -8.674 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.367 -2.967 -9.821 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.236 -1.056 -9.112 1.00 0.00 C ATOM 0 H THR A 63 10.390 -3.170 -8.712 1.00 0.00 H new ATOM 0 HA THR A 63 8.614 -1.509 -6.983 1.00 0.00 H new ATOM 0 HB THR A 63 6.851 -3.011 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.865 -2.727 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.461 -1.155 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.835 -0.519 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.080 -0.502 -9.524 1.00 0.00 H new ATOM 1072 N GLU A 64 7.572 -3.916 -6.197 1.00 0.00 N ATOM 1073 CA GLU A 64 7.400 -5.030 -5.280 1.00 0.00 C ATOM 1074 C GLU A 64 7.485 -6.357 -6.037 1.00 0.00 C ATOM 1075 O GLU A 64 8.515 -7.029 -6.006 1.00 0.00 O ATOM 1076 CB GLU A 64 6.078 -4.916 -4.520 1.00 0.00 C ATOM 1077 CG GLU A 64 6.238 -4.050 -3.269 1.00 0.00 C ATOM 1078 CD GLU A 64 6.852 -4.852 -2.121 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.989 -5.336 -2.311 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.172 -4.964 -1.078 1.00 0.00 O ATOM 0 H GLU A 64 6.709 -3.435 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 64 8.206 -5.000 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.317 -4.485 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.730 -5.909 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.870 -3.191 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.266 -3.660 -2.966 1.00 0.00 H new ATOM 1087 N GLU A 65 6.388 -6.695 -6.699 1.00 0.00 N ATOM 1088 CA GLU A 65 6.325 -7.930 -7.463 1.00 0.00 C ATOM 1089 C GLU A 65 7.563 -8.068 -8.351 1.00 0.00 C ATOM 1090 O GLU A 65 7.973 -9.180 -8.683 1.00 0.00 O ATOM 1091 CB GLU A 65 5.043 -7.995 -8.295 1.00 0.00 C ATOM 1092 CG GLU A 65 3.807 -8.041 -7.395 1.00 0.00 C ATOM 1093 CD GLU A 65 2.763 -9.014 -7.946 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.017 -8.591 -8.855 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.734 -10.159 -7.445 1.00 0.00 O ATOM 0 H GLU A 65 5.536 -6.135 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 65 6.308 -8.766 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.987 -7.127 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.065 -8.877 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.097 -8.344 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.374 -7.044 -7.315 1.00 0.00 H new ATOM 1102 N GLU A 66 8.125 -6.923 -8.711 1.00 0.00 N ATOM 1103 CA GLU A 66 9.308 -6.903 -9.555 1.00 0.00 C ATOM 1104 C GLU A 66 10.531 -7.371 -8.765 1.00 0.00 C ATOM 1105 O GLU A 66 11.362 -8.115 -9.283 1.00 0.00 O ATOM 1106 CB GLU A 66 9.536 -5.510 -10.145 1.00 0.00 C ATOM 1107 CG GLU A 66 8.463 -5.171 -11.182 1.00 0.00 C ATOM 1108 CD GLU A 66 8.972 -4.124 -12.175 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.178 -4.187 -12.498 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.143 -3.285 -12.590 1.00 0.00 O ATOM 0 H GLU A 66 7.783 -6.003 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 66 9.151 -7.592 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.524 -4.767 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.522 -5.464 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.172 -6.074 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.571 -4.797 -10.679 1.00 0.00 H new ATOM 1117 N ASP A 67 10.604 -6.915 -7.523 1.00 0.00 N ATOM 1118 CA ASP A 67 11.712 -7.278 -6.656 1.00 0.00 C ATOM 1119 C ASP A 67 11.755 -8.799 -6.500 1.00 0.00 C ATOM 1120 O ASP A 67 12.801 -9.417 -6.692 1.00 0.00 O ATOM 1121 CB ASP A 67 11.546 -6.665 -5.264 1.00 0.00 C ATOM 1122 CG ASP A 67 12.854 -6.326 -4.546 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.595 -5.477 -5.087 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.083 -6.925 -3.473 1.00 0.00 O ATOM 0 H ASP A 67 9.914 -6.297 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 67 12.630 -6.903 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.952 -5.756 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.978 -7.358 -4.644 1.00 0.00 H new ATOM 1129 N ARG A 68 10.606 -9.360 -6.153 1.00 0.00 N ATOM 1130 CA ARG A 68 10.499 -10.797 -5.970 1.00 0.00 C ATOM 1131 C ARG A 68 10.913 -11.528 -7.249 1.00 0.00 C ATOM 1132 O ARG A 68 11.909 -12.248 -7.262 1.00 0.00 O ATOM 1133 CB ARG A 68 9.071 -11.201 -5.599 1.00 0.00 C ATOM 1134 CG ARG A 68 8.693 -10.670 -4.214 1.00 0.00 C ATOM 1135 CD ARG A 68 8.038 -11.764 -3.368 1.00 0.00 C ATOM 1136 NE ARG A 68 9.061 -12.733 -2.915 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.802 -13.784 -2.125 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.552 -14.008 -1.696 1.00 0.00 N ATOM 1139 NH2 ARG A 68 9.792 -14.611 -1.763 1.00 0.00 N ATOM 0 H ARG A 68 9.740 -8.845 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 68 11.167 -11.077 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.375 -10.814 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.981 -12.287 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.584 -10.298 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.010 -9.827 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.539 -11.320 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.272 -12.276 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 68 10.023 -12.592 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.798 -13.378 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.355 -14.808 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.743 -14.441 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.594 -15.411 -1.162 1.00 0.00 H new ATOM 1153 N ILE A 69 10.125 -11.316 -8.294 1.00 0.00 N ATOM 1154 CA ILE A 69 10.397 -11.945 -9.575 1.00 0.00 C ATOM 1155 C ILE A 69 11.910 -12.076 -9.764 1.00 0.00 C ATOM 1156 O ILE A 69 12.389 -13.076 -10.295 1.00 0.00 O ATOM 1157 CB ILE A 69 9.700 -11.185 -10.704 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.178 -11.287 -10.577 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.194 -11.659 -12.072 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.484 -10.217 -11.421 1.00 0.00 C ATOM 0 H ILE A 69 9.299 -10.718 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 69 9.984 -12.954 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 69 9.960 -10.130 -10.616 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.849 -12.276 -10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.889 -11.175 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.682 -11.102 -12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.268 -11.491 -12.149 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.984 -12.723 -12.186 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.404 -10.312 -11.313 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.797 -9.229 -11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.756 -10.347 -12.468 1.00 0.00 H new ATOM 1172 N ILE A 70 12.620 -11.050 -9.318 1.00 0.00 N ATOM 1173 CA ILE A 70 14.069 -11.037 -9.431 1.00 0.00 C ATOM 1174 C ILE A 70 14.657 -12.105 -8.507 1.00 0.00 C ATOM 1175 O ILE A 70 15.253 -13.075 -8.974 1.00 0.00 O ATOM 1176 CB ILE A 70 14.614 -9.631 -9.173 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.845 -8.587 -9.985 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.119 -9.569 -9.438 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.712 -8.021 -11.111 1.00 0.00 C ATOM 0 H ILE A 70 12.219 -10.222 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 70 14.375 -11.290 -10.446 1.00 0.00 H new ATOM 0 HB ILE A 70 14.463 -9.394 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.946 -9.038 -10.405 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.520 -7.779 -9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.481 -8.559 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.633 -10.269 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.317 -9.835 -10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.142 -7.281 -11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.598 -7.550 -10.686 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.015 -8.828 -11.778 1.00 0.00 H new ATOM 1191 N PHE A 71 14.471 -11.890 -7.213 1.00 0.00 N ATOM 1192 CA PHE A 71 14.976 -12.822 -6.220 1.00 0.00 C ATOM 1193 C PHE A 71 14.520 -14.250 -6.525 1.00 0.00 C ATOM 1194 O PHE A 71 15.340 -15.163 -6.611 1.00 0.00 O ATOM 1195 CB PHE A 71 14.399 -12.393 -4.870 1.00 0.00 C ATOM 1196 CG PHE A 71 14.541 -13.446 -3.769 1.00 0.00 C ATOM 1197 CD1 PHE A 71 15.698 -13.536 -3.059 1.00 0.00 C ATOM 1198 CD2 PHE A 71 13.511 -14.293 -3.500 1.00 0.00 C ATOM 1199 CE1 PHE A 71 15.830 -14.513 -2.038 1.00 0.00 C ATOM 1200 CE2 PHE A 71 13.643 -15.270 -2.479 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.800 -15.360 -1.769 1.00 0.00 C ATOM 0 H PHE A 71 13.978 -11.084 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 71 16.066 -12.810 -6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.895 -11.477 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.343 -12.155 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 71 16.516 -12.864 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.592 -14.222 -4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 71 16.749 -14.584 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.825 -15.942 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.901 -16.104 -0.992 1.00 0.00 H new ATOM 1211 N GLU A 72 13.213 -14.399 -6.682 1.00 0.00 N ATOM 1212 CA GLU A 72 12.638 -15.701 -6.976 1.00 0.00 C ATOM 1213 C GLU A 72 13.307 -16.310 -8.209 1.00 0.00 C ATOM 1214 O GLU A 72 13.693 -17.478 -8.197 1.00 0.00 O ATOM 1215 CB GLU A 72 11.123 -15.600 -7.167 1.00 0.00 C ATOM 1216 CG GLU A 72 10.776 -15.243 -8.614 1.00 0.00 C ATOM 1217 CD GLU A 72 9.261 -15.152 -8.808 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.635 -14.391 -8.039 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.763 -15.845 -9.721 1.00 0.00 O ATOM 0 H GLU A 72 12.536 -13.640 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 72 12.821 -16.358 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.655 -16.548 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.718 -14.844 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.238 -14.292 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.188 -15.995 -9.287 1.00 0.00 H new ATOM 1226 N ALA A 73 13.425 -15.492 -9.244 1.00 0.00 N ATOM 1227 CA ALA A 73 14.041 -15.935 -10.483 1.00 0.00 C ATOM 1228 C ALA A 73 15.493 -16.334 -10.211 1.00 0.00 C ATOM 1229 O ALA A 73 15.979 -17.327 -10.751 1.00 0.00 O ATOM 1230 CB ALA A 73 13.928 -14.830 -11.535 1.00 0.00 C ATOM 0 H ALA A 73 13.104 -14.524 -9.250 1.00 0.00 H new ATOM 0 HA ALA A 73 13.525 -16.812 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.390 -15.163 -12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.877 -14.604 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.436 -13.934 -11.178 1.00 0.00 H new ATOM 1236 N HIS A 74 16.144 -15.541 -9.374 1.00 0.00 N ATOM 1237 CA HIS A 74 17.531 -15.799 -9.024 1.00 0.00 C ATOM 1238 C HIS A 74 17.627 -17.110 -8.242 1.00 0.00 C ATOM 1239 O HIS A 74 18.717 -17.650 -8.060 1.00 0.00 O ATOM 1240 CB HIS A 74 18.130 -14.612 -8.266 1.00 0.00 C ATOM 1241 CG HIS A 74 19.619 -14.450 -8.458 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.546 -14.888 -7.528 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.331 -13.894 -9.480 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.758 -14.603 -7.981 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.623 -13.987 -9.190 1.00 0.00 N ATOM 0 H HIS A 74 15.737 -14.719 -8.927 1.00 0.00 H new ATOM 0 HA HIS A 74 18.124 -15.913 -9.932 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.631 -13.698 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.922 -14.730 -7.203 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.914 -13.453 -10.373 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.690 -14.821 -7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.389 -13.653 -9.775 1.00 0.00 H new ATOM 1253 N LYS A 75 16.471 -17.585 -7.800 1.00 0.00 N ATOM 1254 CA LYS A 75 16.411 -18.823 -7.042 1.00 0.00 C ATOM 1255 C LYS A 75 15.895 -19.945 -7.946 1.00 0.00 C ATOM 1256 O LYS A 75 15.638 -21.054 -7.480 1.00 0.00 O ATOM 1257 CB LYS A 75 15.588 -18.632 -5.768 1.00 0.00 C ATOM 1258 CG LYS A 75 14.240 -19.348 -5.873 1.00 0.00 C ATOM 1259 CD LYS A 75 13.308 -18.934 -4.732 1.00 0.00 C ATOM 1260 CE LYS A 75 12.106 -19.875 -4.637 1.00 0.00 C ATOM 1261 NZ LYS A 75 12.388 -20.982 -3.695 1.00 0.00 N ATOM 0 H LYS A 75 15.569 -17.134 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 75 17.407 -19.114 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.142 -19.017 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.426 -17.569 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.774 -19.115 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.394 -20.427 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.856 -18.942 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.963 -17.913 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.228 -19.321 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.874 -20.278 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.562 -21.612 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.213 -21.520 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.588 -20.593 -2.751 1.00 0.00 H new ATOM 1275 N VAL A 76 15.758 -19.617 -9.222 1.00 0.00 N ATOM 1276 CA VAL A 76 15.276 -20.583 -10.195 1.00 0.00 C ATOM 1277 C VAL A 76 16.359 -20.820 -11.251 1.00 0.00 C ATOM 1278 O VAL A 76 16.666 -21.964 -11.583 1.00 0.00 O ATOM 1279 CB VAL A 76 13.952 -20.106 -10.794 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.241 -21.246 -11.528 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.050 -19.500 -9.718 1.00 0.00 C ATOM 0 H VAL A 76 15.972 -18.696 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 76 15.074 -21.541 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 76 14.175 -19.326 -11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.302 -20.881 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.877 -21.613 -12.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.037 -22.057 -10.829 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.115 -19.169 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.838 -20.250 -8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.552 -18.648 -9.259 1.00 0.00 H new ATOM 1291 N LEU A 77 16.907 -19.721 -11.748 1.00 0.00 N ATOM 1292 CA LEU A 77 17.948 -19.795 -12.758 1.00 0.00 C ATOM 1293 C LEU A 77 19.301 -19.488 -12.114 1.00 0.00 C ATOM 1294 O LEU A 77 20.094 -20.394 -11.863 1.00 0.00 O ATOM 1295 CB LEU A 77 17.611 -18.888 -13.943 1.00 0.00 C ATOM 1296 CG LEU A 77 16.122 -18.636 -14.192 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.765 -17.169 -13.941 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.716 -19.093 -15.595 1.00 0.00 C ATOM 0 H LEU A 77 16.649 -18.774 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 77 18.011 -20.804 -13.166 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.101 -17.927 -13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.041 -19.326 -14.844 1.00 0.00 H new ATOM 0 HG LEU A 77 15.551 -19.233 -13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.701 -17.017 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.995 -16.910 -12.907 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.344 -16.534 -14.612 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.653 -18.903 -15.746 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.293 -18.542 -16.338 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.912 -20.160 -15.701 1.00 0.00 H new ATOM 1310 N GLY A 78 19.524 -18.205 -11.864 1.00 0.00 N ATOM 1311 CA GLY A 78 20.767 -17.767 -11.254 1.00 0.00 C ATOM 1312 C GLY A 78 21.023 -16.284 -11.534 1.00 0.00 C ATOM 1313 O GLY A 78 20.156 -15.445 -11.294 1.00 0.00 O ATOM 0 H GLY A 78 18.864 -17.456 -12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.727 -17.936 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.595 -18.362 -11.640 1.00 0.00 H new ATOM 1317 N ASN A 79 22.216 -16.008 -12.038 1.00 0.00 N ATOM 1318 CA ASN A 79 22.596 -14.641 -12.354 1.00 0.00 C ATOM 1319 C ASN A 79 22.208 -14.329 -13.801 1.00 0.00 C ATOM 1320 O ASN A 79 22.774 -13.428 -14.418 1.00 0.00 O ATOM 1321 CB ASN A 79 24.107 -14.444 -12.217 1.00 0.00 C ATOM 1322 CG ASN A 79 24.812 -15.776 -11.948 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.697 -16.731 -12.698 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.545 -15.786 -10.839 1.00 0.00 N ATOM 0 H ASN A 79 22.932 -16.707 -12.236 1.00 0.00 H new ATOM 0 HA ASN A 79 22.081 -13.979 -11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.503 -13.996 -13.129 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.314 -13.748 -11.404 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.054 -16.628 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.598 -14.951 -10.255 1.00 0.00 H new ATOM 1331 N ARG A 80 21.246 -15.092 -14.299 1.00 0.00 N ATOM 1332 CA ARG A 80 20.776 -14.909 -15.662 1.00 0.00 C ATOM 1333 C ARG A 80 19.976 -13.610 -15.777 1.00 0.00 C ATOM 1334 O ARG A 80 18.816 -13.626 -16.185 1.00 0.00 O ATOM 1335 CB ARG A 80 19.899 -16.081 -16.104 1.00 0.00 C ATOM 1336 CG ARG A 80 20.693 -17.068 -16.962 1.00 0.00 C ATOM 1337 CD ARG A 80 20.975 -18.360 -16.194 1.00 0.00 C ATOM 1338 NE ARG A 80 20.693 -19.532 -17.053 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.215 -20.750 -16.857 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.049 -20.964 -15.830 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.904 -21.755 -17.687 1.00 0.00 N ATOM 0 H ARG A 80 20.779 -15.838 -13.783 1.00 0.00 H new ATOM 0 HA ARG A 80 21.650 -14.860 -16.311 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.502 -16.593 -15.228 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.045 -15.708 -16.669 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.136 -17.295 -17.871 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.634 -16.612 -17.271 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.015 -18.379 -15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.359 -18.401 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 80 20.062 -19.404 -17.844 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.286 -20.200 -15.198 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.447 -21.891 -15.681 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.269 -21.593 -18.469 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.302 -22.682 -17.537 1.00 0.00 H new ATOM 1355 N TRP A 81 20.628 -12.516 -15.409 1.00 0.00 N ATOM 1356 CA TRP A 81 19.991 -11.211 -15.466 1.00 0.00 C ATOM 1357 C TRP A 81 19.409 -11.030 -16.869 1.00 0.00 C ATOM 1358 O TRP A 81 18.358 -10.412 -17.034 1.00 0.00 O ATOM 1359 CB TRP A 81 20.974 -10.105 -15.079 1.00 0.00 C ATOM 1360 CG TRP A 81 21.933 -10.491 -13.951 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.266 -10.613 -14.008 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.577 -10.802 -12.588 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.793 -10.979 -12.786 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.733 -11.098 -11.895 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.319 -10.833 -11.960 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.747 -11.445 -10.539 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.350 -11.182 -10.605 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.505 -11.482 -9.893 1.00 0.00 C ATOM 0 H TRP A 81 21.590 -12.507 -15.071 1.00 0.00 H new ATOM 0 HA TRP A 81 19.179 -11.146 -14.742 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.556 -9.827 -15.958 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.411 -9.222 -14.777 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.854 -10.446 -14.898 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.779 -11.134 -12.576 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.401 -10.605 -12.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.666 -11.672 -10.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.410 -11.221 -10.075 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.445 -11.742 -8.847 1.00 0.00 H new ATOM 1379 N ALA A 82 20.118 -11.579 -17.845 1.00 0.00 N ATOM 1380 CA ALA A 82 19.685 -11.485 -19.229 1.00 0.00 C ATOM 1381 C ALA A 82 18.314 -12.148 -19.376 1.00 0.00 C ATOM 1382 O ALA A 82 17.565 -11.835 -20.300 1.00 0.00 O ATOM 1383 CB ALA A 82 20.740 -12.119 -20.138 1.00 0.00 C ATOM 0 H ALA A 82 20.989 -12.090 -17.705 1.00 0.00 H new ATOM 0 HA ALA A 82 19.581 -10.442 -19.529 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.415 -12.049 -21.176 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.687 -11.593 -20.018 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.870 -13.167 -19.869 1.00 0.00 H new ATOM 1389 N GLU A 83 18.027 -13.052 -18.450 1.00 0.00 N ATOM 1390 CA GLU A 83 16.760 -13.762 -18.465 1.00 0.00 C ATOM 1391 C GLU A 83 15.812 -13.179 -17.415 1.00 0.00 C ATOM 1392 O GLU A 83 14.595 -13.204 -17.589 1.00 0.00 O ATOM 1393 CB GLU A 83 16.968 -15.262 -18.243 1.00 0.00 C ATOM 1394 CG GLU A 83 16.677 -15.647 -16.791 1.00 0.00 C ATOM 1395 CD GLU A 83 15.182 -15.889 -16.578 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.674 -16.864 -17.173 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.580 -15.094 -15.824 1.00 0.00 O ATOM 0 H GLU A 83 18.651 -13.309 -17.685 1.00 0.00 H new ATOM 0 HA GLU A 83 16.306 -13.633 -19.448 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.316 -15.826 -18.910 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.993 -15.532 -18.496 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.235 -16.546 -16.530 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.019 -14.855 -16.125 1.00 0.00 H new ATOM 1404 N ILE A 84 16.407 -12.667 -16.347 1.00 0.00 N ATOM 1405 CA ILE A 84 15.631 -12.079 -15.269 1.00 0.00 C ATOM 1406 C ILE A 84 14.769 -10.945 -15.826 1.00 0.00 C ATOM 1407 O ILE A 84 13.572 -10.878 -15.553 1.00 0.00 O ATOM 1408 CB ILE A 84 16.549 -11.647 -14.122 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.320 -12.842 -13.558 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.761 -10.909 -13.038 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.461 -13.631 -12.567 1.00 0.00 C ATOM 0 H ILE A 84 17.417 -12.647 -16.206 1.00 0.00 H new ATOM 0 HA ILE A 84 14.951 -12.817 -14.843 1.00 0.00 H new ATOM 0 HB ILE A 84 17.285 -10.947 -14.518 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.633 -13.495 -14.373 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.226 -12.494 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.436 -10.613 -12.235 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.296 -10.021 -13.467 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.988 -11.566 -12.639 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.033 -14.475 -12.181 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.170 -12.982 -11.741 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.568 -13.999 -13.072 1.00 0.00 H new ATOM 1423 N ALA A 85 15.412 -10.080 -16.598 1.00 0.00 N ATOM 1424 CA ALA A 85 14.718 -8.952 -17.197 1.00 0.00 C ATOM 1425 C ALA A 85 13.695 -9.468 -18.211 1.00 0.00 C ATOM 1426 O ALA A 85 12.585 -8.945 -18.299 1.00 0.00 O ATOM 1427 CB ALA A 85 15.738 -8.003 -17.829 1.00 0.00 C ATOM 0 H ALA A 85 16.405 -10.138 -16.822 1.00 0.00 H new ATOM 0 HA ALA A 85 14.175 -8.389 -16.438 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.218 -7.157 -18.278 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.423 -7.642 -17.062 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.301 -8.533 -18.598 1.00 0.00 H new ATOM 1433 N LYS A 86 14.105 -10.488 -18.950 1.00 0.00 N ATOM 1434 CA LYS A 86 13.237 -11.080 -19.955 1.00 0.00 C ATOM 1435 C LYS A 86 11.842 -11.283 -19.362 1.00 0.00 C ATOM 1436 O LYS A 86 10.846 -11.250 -20.083 1.00 0.00 O ATOM 1437 CB LYS A 86 13.860 -12.361 -20.513 1.00 0.00 C ATOM 1438 CG LYS A 86 14.744 -12.059 -21.725 1.00 0.00 C ATOM 1439 CD LYS A 86 14.267 -12.831 -22.957 1.00 0.00 C ATOM 1440 CE LYS A 86 14.834 -12.219 -24.240 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.734 -13.179 -24.917 1.00 0.00 N ATOM 0 H LYS A 86 15.026 -10.920 -18.874 1.00 0.00 H new ATOM 0 HA LYS A 86 13.127 -10.409 -20.807 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.453 -12.848 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.072 -13.058 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.729 -10.989 -21.933 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.777 -12.326 -21.502 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.576 -13.873 -22.880 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.178 -12.823 -22.996 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.019 -11.941 -24.909 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.379 -11.305 -24.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.110 -12.749 -25.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.521 -13.424 -24.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.204 -14.040 -25.159 1.00 0.00 H new ATOM 1455 N LEU A 87 11.814 -11.487 -18.053 1.00 0.00 N ATOM 1456 CA LEU A 87 10.557 -11.695 -17.354 1.00 0.00 C ATOM 1457 C LEU A 87 9.820 -10.359 -17.231 1.00 0.00 C ATOM 1458 O LEU A 87 8.613 -10.289 -17.458 1.00 0.00 O ATOM 1459 CB LEU A 87 10.797 -12.391 -16.013 1.00 0.00 C ATOM 1460 CG LEU A 87 10.787 -13.920 -16.040 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.976 -14.490 -15.264 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.453 -14.469 -15.529 1.00 0.00 C ATOM 0 H LEU A 87 12.642 -11.513 -17.458 1.00 0.00 H new ATOM 0 HA LEU A 87 9.912 -12.365 -17.922 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.759 -12.061 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.035 -12.055 -15.310 1.00 0.00 H new ATOM 0 HG LEU A 87 10.893 -14.244 -17.075 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.945 -15.579 -15.299 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.905 -14.139 -15.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.926 -14.159 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.473 -15.558 -15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.292 -14.137 -14.503 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.643 -14.103 -16.160 1.00 0.00 H new ATOM 1474 N LEU A 88 10.577 -9.334 -16.871 1.00 0.00 N ATOM 1475 CA LEU A 88 10.011 -8.005 -16.714 1.00 0.00 C ATOM 1476 C LEU A 88 10.225 -7.209 -18.003 1.00 0.00 C ATOM 1477 O LEU A 88 11.358 -6.890 -18.359 1.00 0.00 O ATOM 1478 CB LEU A 88 10.582 -7.323 -15.469 1.00 0.00 C ATOM 1479 CG LEU A 88 10.422 -8.087 -14.153 1.00 0.00 C ATOM 1480 CD1 LEU A 88 8.966 -8.502 -13.934 1.00 0.00 C ATOM 1481 CD2 LEU A 88 11.375 -9.282 -14.094 1.00 0.00 C ATOM 0 H LEU A 88 11.578 -9.397 -16.683 1.00 0.00 H new ATOM 0 HA LEU A 88 8.935 -8.066 -16.551 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.644 -7.141 -15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.104 -6.349 -15.361 1.00 0.00 H new ATOM 0 HG LEU A 88 10.692 -7.420 -13.335 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.880 -9.043 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.335 -7.614 -13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.644 -9.145 -14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.241 -9.808 -13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.160 -9.960 -14.920 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.404 -8.931 -14.171 1.00 0.00 H new ATOM 1493 N PRO A 89 9.089 -6.904 -18.686 1.00 0.00 N ATOM 1494 CA PRO A 89 9.141 -6.152 -19.928 1.00 0.00 C ATOM 1495 C PRO A 89 9.419 -4.671 -19.661 1.00 0.00 C ATOM 1496 O PRO A 89 8.491 -3.880 -19.502 1.00 0.00 O ATOM 1497 CB PRO A 89 7.794 -6.393 -20.590 1.00 0.00 C ATOM 1498 CG PRO A 89 6.870 -6.885 -19.489 1.00 0.00 C ATOM 1499 CD PRO A 89 7.730 -7.265 -18.294 1.00 0.00 C ATOM 0 HA PRO A 89 9.954 -6.472 -20.580 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.411 -5.477 -21.041 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.878 -7.131 -21.388 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.156 -6.108 -19.214 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.291 -7.743 -19.831 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.421 -6.728 -17.397 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.651 -8.329 -18.072 1.00 0.00 H new ATOM 1507 N GLY A 90 10.702 -4.341 -19.620 1.00 0.00 N ATOM 1508 CA GLY A 90 11.114 -2.969 -19.375 1.00 0.00 C ATOM 1509 C GLY A 90 12.565 -2.911 -18.893 1.00 0.00 C ATOM 1510 O GLY A 90 13.379 -2.178 -19.452 1.00 0.00 O ATOM 0 H GLY A 90 11.469 -5.000 -19.752 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.007 -2.384 -20.289 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.461 -2.517 -18.629 1.00 0.00 H new ATOM 1514 N ARG A 91 12.845 -3.693 -17.861 1.00 0.00 N ATOM 1515 CA ARG A 91 14.183 -3.740 -17.298 1.00 0.00 C ATOM 1516 C ARG A 91 15.047 -4.744 -18.064 1.00 0.00 C ATOM 1517 O ARG A 91 14.532 -5.709 -18.626 1.00 0.00 O ATOM 1518 CB ARG A 91 14.145 -4.132 -15.820 1.00 0.00 C ATOM 1519 CG ARG A 91 13.633 -2.977 -14.958 1.00 0.00 C ATOM 1520 CD ARG A 91 14.670 -1.855 -14.873 1.00 0.00 C ATOM 1521 NE ARG A 91 14.192 -0.792 -13.960 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.314 0.159 -14.308 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.814 0.185 -15.551 1.00 0.00 N ATOM 1524 NH2 ARG A 91 12.938 1.083 -13.414 1.00 0.00 N ATOM 0 H ARG A 91 12.167 -4.300 -17.400 1.00 0.00 H new ATOM 0 HA ARG A 91 14.615 -2.743 -17.386 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.502 -5.002 -15.688 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.143 -4.421 -15.491 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.705 -2.589 -15.378 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.402 -3.340 -13.957 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.620 -2.253 -14.516 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.851 -1.440 -15.865 1.00 0.00 H new ATOM 0 HE ARG A 91 14.554 -0.783 -13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.102 -0.519 -16.231 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.146 0.908 -15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.320 1.063 -12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.270 1.807 -13.679 1.00 0.00 H new ATOM 1538 N THR A 92 16.346 -4.482 -18.061 1.00 0.00 N ATOM 1539 CA THR A 92 17.286 -5.352 -18.748 1.00 0.00 C ATOM 1540 C THR A 92 18.156 -6.101 -17.738 1.00 0.00 C ATOM 1541 O THR A 92 17.822 -6.169 -16.556 1.00 0.00 O ATOM 1542 CB THR A 92 18.091 -4.496 -19.727 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.634 -3.457 -18.916 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.202 -3.759 -20.731 1.00 0.00 C ATOM 0 H THR A 92 16.770 -3.680 -17.594 1.00 0.00 H new ATOM 0 HA THR A 92 16.768 -6.124 -19.317 1.00 0.00 H new ATOM 0 HB THR A 92 18.797 -5.129 -20.265 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.593 -3.612 -18.785 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.824 -3.167 -21.402 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.631 -4.483 -21.311 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.517 -3.101 -20.196 1.00 0.00 H new ATOM 1552 N ASP A 93 19.255 -6.645 -18.240 1.00 0.00 N ATOM 1553 CA ASP A 93 20.175 -7.387 -17.396 1.00 0.00 C ATOM 1554 C ASP A 93 20.967 -6.408 -16.527 1.00 0.00 C ATOM 1555 O ASP A 93 20.842 -6.417 -15.303 1.00 0.00 O ATOM 1556 CB ASP A 93 21.173 -8.185 -18.237 1.00 0.00 C ATOM 1557 CG ASP A 93 21.629 -7.497 -19.525 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.752 -7.260 -20.384 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.845 -7.222 -19.622 1.00 0.00 O ATOM 0 H ASP A 93 19.529 -6.586 -19.221 1.00 0.00 H new ATOM 0 HA ASP A 93 19.590 -8.073 -16.783 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.051 -8.398 -17.627 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.723 -9.144 -18.495 1.00 0.00 H new ATOM 1564 N ASN A 94 21.764 -5.586 -17.194 1.00 0.00 N ATOM 1565 CA ASN A 94 22.576 -4.602 -16.499 1.00 0.00 C ATOM 1566 C ASN A 94 21.745 -3.955 -15.388 1.00 0.00 C ATOM 1567 O ASN A 94 22.286 -3.544 -14.363 1.00 0.00 O ATOM 1568 CB ASN A 94 23.036 -3.496 -17.450 1.00 0.00 C ATOM 1569 CG ASN A 94 22.064 -3.339 -18.621 1.00 0.00 C ATOM 1570 OD1 ASN A 94 20.920 -2.946 -18.463 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.581 -3.668 -19.801 1.00 0.00 N ATOM 0 H ASN A 94 21.865 -5.581 -18.209 1.00 0.00 H new ATOM 0 HA ASN A 94 23.449 -5.112 -16.091 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.112 -2.554 -16.907 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.032 -3.728 -17.828 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.012 -3.598 -20.644 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.547 -3.990 -19.863 1.00 0.00 H new ATOM 1578 N ALA A 95 20.444 -3.884 -15.631 1.00 0.00 N ATOM 1579 CA ALA A 95 19.534 -3.294 -14.664 1.00 0.00 C ATOM 1580 C ALA A 95 19.432 -4.208 -13.442 1.00 0.00 C ATOM 1581 O ALA A 95 19.843 -3.832 -12.345 1.00 0.00 O ATOM 1582 CB ALA A 95 18.175 -3.051 -15.325 1.00 0.00 C ATOM 0 H ALA A 95 19.999 -4.225 -16.483 1.00 0.00 H new ATOM 0 HA ALA A 95 19.909 -2.329 -14.323 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.492 -2.608 -14.600 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.297 -2.373 -16.170 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.767 -3.999 -15.677 1.00 0.00 H new ATOM 1588 N VAL A 96 18.883 -5.392 -13.671 1.00 0.00 N ATOM 1589 CA VAL A 96 18.722 -6.363 -12.602 1.00 0.00 C ATOM 1590 C VAL A 96 20.087 -6.655 -11.975 1.00 0.00 C ATOM 1591 O VAL A 96 20.284 -6.437 -10.781 1.00 0.00 O ATOM 1592 CB VAL A 96 18.028 -7.618 -13.135 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.889 -8.675 -12.038 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.666 -7.275 -13.742 1.00 0.00 C ATOM 0 H VAL A 96 18.544 -5.701 -14.582 1.00 0.00 H new ATOM 0 HA VAL A 96 18.082 -5.963 -11.816 1.00 0.00 H new ATOM 0 HB VAL A 96 18.651 -8.036 -13.926 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.393 -9.557 -12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.878 -8.951 -11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.298 -8.271 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.194 -8.184 -14.113 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.032 -6.822 -12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.801 -6.574 -14.566 1.00 0.00 H new ATOM 1604 N LYS A 97 20.993 -7.144 -12.809 1.00 0.00 N ATOM 1605 CA LYS A 97 22.333 -7.468 -12.351 1.00 0.00 C ATOM 1606 C LYS A 97 22.775 -6.438 -11.311 1.00 0.00 C ATOM 1607 O LYS A 97 23.081 -6.791 -10.173 1.00 0.00 O ATOM 1608 CB LYS A 97 23.289 -7.592 -13.539 1.00 0.00 C ATOM 1609 CG LYS A 97 24.694 -7.982 -13.074 1.00 0.00 C ATOM 1610 CD LYS A 97 25.616 -8.238 -14.268 1.00 0.00 C ATOM 1611 CE LYS A 97 25.955 -6.932 -14.988 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.391 -6.610 -14.831 1.00 0.00 N ATOM 0 H LYS A 97 20.825 -7.324 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 97 22.343 -8.441 -11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.912 -8.340 -14.237 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.330 -6.645 -14.078 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.109 -7.188 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.640 -8.876 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.533 -8.718 -13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.135 -8.926 -14.963 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.710 -7.019 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.348 -6.120 -14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.603 -5.720 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.615 -6.506 -13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.965 -7.377 -15.236 1.00 0.00 H new ATOM 1626 N ASN A 98 22.795 -5.184 -11.738 1.00 0.00 N ATOM 1627 CA ASN A 98 23.195 -4.099 -10.857 1.00 0.00 C ATOM 1628 C ASN A 98 22.282 -4.083 -9.629 1.00 0.00 C ATOM 1629 O ASN A 98 22.757 -4.169 -8.498 1.00 0.00 O ATOM 1630 CB ASN A 98 23.068 -2.745 -11.558 1.00 0.00 C ATOM 1631 CG ASN A 98 23.968 -1.699 -10.897 1.00 0.00 C ATOM 1632 OD1 ASN A 98 25.007 -1.331 -11.640 1.00 0.00 O flip ATOM 1633 ND2 ASN A 98 23.733 -1.256 -9.784 1.00 0.00 N flip ATOM 0 H ASN A 98 22.541 -4.895 -12.682 1.00 0.00 H new ATOM 0 HA ASN A 98 24.234 -4.261 -10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.337 -2.849 -12.609 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.031 -2.411 -11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 98 22.917 -1.582 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.353 -0.559 -9.371 1.00 0.00 H new ATOM 1640 N HIS A 99 20.989 -3.971 -9.894 1.00 0.00 N ATOM 1641 CA HIS A 99 20.006 -3.942 -8.825 1.00 0.00 C ATOM 1642 C HIS A 99 20.340 -5.019 -7.791 1.00 0.00 C ATOM 1643 O HIS A 99 20.002 -4.883 -6.616 1.00 0.00 O ATOM 1644 CB HIS A 99 18.589 -4.078 -9.385 1.00 0.00 C ATOM 1645 CG HIS A 99 17.505 -4.031 -8.335 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.286 -4.641 -8.284 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.620 -3.289 -7.172 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.689 -4.291 -7.151 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.514 -3.453 -6.461 1.00 0.00 N flip ATOM 0 H HIS A 99 20.599 -3.899 -10.834 1.00 0.00 H new ATOM 0 HA HIS A 99 20.043 -2.977 -8.319 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.416 -3.279 -10.106 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.513 -5.020 -9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.467 -2.680 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.711 -4.616 -6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.315 -3.027 -5.556 1.00 0.00 H new ATOM 1657 N TRP A 100 20.999 -6.065 -8.266 1.00 0.00 N ATOM 1658 CA TRP A 100 21.383 -7.165 -7.397 1.00 0.00 C ATOM 1659 C TRP A 100 22.361 -6.624 -6.352 1.00 0.00 C ATOM 1660 O TRP A 100 22.022 -6.519 -5.175 1.00 0.00 O ATOM 1661 CB TRP A 100 21.958 -8.329 -8.207 1.00 0.00 C ATOM 1662 CG TRP A 100 21.799 -9.694 -7.535 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.744 -10.616 -7.305 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.578 -10.257 -7.010 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.224 -11.727 -6.674 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.865 -11.502 -6.489 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.275 -9.732 -6.977 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.901 -12.326 -5.897 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.322 -10.568 -6.382 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.595 -11.824 -5.853 1.00 0.00 C ATOM 0 H TRP A 100 21.277 -6.175 -9.241 1.00 0.00 H new ATOM 0 HA TRP A 100 20.512 -7.571 -6.882 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.470 -8.356 -9.181 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.017 -8.145 -8.386 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.782 -10.503 -7.579 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.742 -12.560 -6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.028 -8.760 -7.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.151 -13.297 -5.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.304 -10.212 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.803 -12.410 -5.410 1.00 0.00 H new ATOM 1681 N ASN A 101 23.555 -6.293 -6.822 1.00 0.00 N ATOM 1682 CA ASN A 101 24.585 -5.765 -5.943 1.00 0.00 C ATOM 1683 C ASN A 101 24.175 -4.370 -5.465 1.00 0.00 C ATOM 1684 O ASN A 101 24.866 -3.761 -4.650 1.00 0.00 O ATOM 1685 CB ASN A 101 25.923 -5.640 -6.674 1.00 0.00 C ATOM 1686 CG ASN A 101 26.501 -7.019 -6.999 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.901 -7.774 -6.128 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.523 -7.304 -8.298 1.00 0.00 N ATOM 0 H ASN A 101 23.832 -6.380 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 101 24.696 -6.451 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.787 -5.073 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.628 -5.082 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.891 -8.200 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.172 -6.626 -8.975 1.00 0.00 H new ATOM 1695 N SER A 102 23.053 -3.905 -5.993 1.00 0.00 N ATOM 1696 CA SER A 102 22.543 -2.593 -5.631 1.00 0.00 C ATOM 1697 C SER A 102 21.996 -2.620 -4.202 1.00 0.00 C ATOM 1698 O SER A 102 22.678 -2.206 -3.266 1.00 0.00 O ATOM 1699 CB SER A 102 21.456 -2.136 -6.607 1.00 0.00 C ATOM 1700 OG SER A 102 21.955 -1.996 -7.934 1.00 0.00 O ATOM 0 H SER A 102 22.482 -4.413 -6.669 1.00 0.00 H new ATOM 0 HA SER A 102 23.365 -1.880 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.638 -2.856 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 102 21.045 -1.184 -6.272 1.00 0.00 H new ATOM 0 HG SER A 102 22.779 -2.518 -8.031 1.00 0.00 H new ATOM 1706 N THR A 103 20.772 -3.112 -4.080 1.00 0.00 N ATOM 1707 CA THR A 103 20.126 -3.198 -2.782 1.00 0.00 C ATOM 1708 C THR A 103 19.746 -4.647 -2.471 1.00 0.00 C ATOM 1709 O THR A 103 19.401 -4.972 -1.336 1.00 0.00 O ATOM 1710 CB THR A 103 18.931 -2.243 -2.783 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.502 -0.972 -2.482 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.971 -2.505 -1.621 1.00 0.00 C ATOM 0 H THR A 103 20.211 -3.455 -4.859 1.00 0.00 H new ATOM 0 HA THR A 103 20.802 -2.893 -1.983 1.00 0.00 H new ATOM 0 HB THR A 103 18.393 -2.336 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.796 -0.292 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.141 -1.800 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.587 -3.523 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.500 -2.379 -0.676 1.00 0.00 H new ATOM 1720 N ILE A 104 19.820 -5.479 -3.500 1.00 0.00 N ATOM 1721 CA ILE A 104 19.488 -6.885 -3.350 1.00 0.00 C ATOM 1722 C ILE A 104 20.760 -7.675 -3.034 1.00 0.00 C ATOM 1723 O ILE A 104 20.909 -8.817 -3.467 1.00 0.00 O ATOM 1724 CB ILE A 104 18.740 -7.393 -4.585 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.838 -6.302 -5.166 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.962 -8.671 -4.268 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.339 -6.689 -6.560 1.00 0.00 C ATOM 0 H ILE A 104 20.105 -5.206 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 104 18.807 -7.028 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 104 19.475 -7.645 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.988 -6.137 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.387 -5.362 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.440 -9.010 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.654 -9.445 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.237 -8.470 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.700 -5.897 -6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.191 -6.829 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.770 -7.617 -6.498 1.00 0.00 H new ATOM 1739 N LYS A 105 21.644 -7.035 -2.283 1.00 0.00 N ATOM 1740 CA LYS A 105 22.898 -7.663 -1.904 1.00 0.00 C ATOM 1741 C LYS A 105 23.331 -7.140 -0.533 1.00 0.00 C ATOM 1742 O LYS A 105 23.979 -6.099 -0.438 1.00 0.00 O ATOM 1743 CB LYS A 105 23.949 -7.465 -2.998 1.00 0.00 C ATOM 1744 CG LYS A 105 23.774 -8.492 -4.119 1.00 0.00 C ATOM 1745 CD LYS A 105 23.731 -9.914 -3.557 1.00 0.00 C ATOM 1746 CE LYS A 105 24.617 -10.854 -4.376 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.032 -12.018 -3.561 1.00 0.00 N ATOM 0 H LYS A 105 21.517 -6.088 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 105 22.771 -8.741 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.868 -6.458 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.947 -7.556 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.854 -8.285 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.595 -8.403 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.063 -9.909 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.704 -10.280 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.076 -11.195 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.498 -10.317 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.633 -12.646 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.566 -11.688 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.189 -12.539 -3.245 1.00 0.00 H new