USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 478 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 48 SER OG : rot 180:sc= -0.312 USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0.0964 USER MOD Set 2.1: A 33 CYS SG : rot -160:sc= -0.617 USER MOD Set 2.2: A 36 HIS : no HD1:sc= -13.4! C(o=-14!,f=-11!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -157:sc= -3.74! (180deg=-5.95!) USER MOD Single : A 22 GLN : amide:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 25 MET CE :methyl 169:sc= -5.88! (180deg=-6.37!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.93) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0357 (180deg=-0.5) USER MOD Single : A 55 THR OG1 : rot -100:sc= -0.451 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -120:sc= -0.38 USER MOD Single : A 83 SER OG : rot 95:sc= 1.86 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 2.760 -3.889 -4.643 1.00 0.00 N ATOM 31 CA GLN A 16 3.848 -4.817 -4.902 1.00 0.00 C ATOM 32 C GLN A 16 4.235 -4.781 -6.382 1.00 0.00 C ATOM 33 O GLN A 16 5.413 -4.881 -6.722 1.00 0.00 O ATOM 34 CB GLN A 16 3.474 -6.235 -4.467 1.00 0.00 C ATOM 35 CG GLN A 16 3.758 -6.445 -2.978 1.00 0.00 C ATOM 36 CD GLN A 16 3.056 -7.701 -2.458 1.00 0.00 C ATOM 37 OE1 GLN A 16 2.520 -8.500 -3.209 1.00 0.00 O ATOM 38 NE2 GLN A 16 3.089 -7.831 -1.135 1.00 0.00 N ATOM 0 HA GLN A 16 4.712 -4.508 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.418 -6.414 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.038 -6.960 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.833 -6.532 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.421 -5.576 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.555 -7.125 -0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.649 -8.637 -0.691 1.00 0.00 H new ATOM 47 N GLU A 17 3.221 -4.639 -7.223 1.00 0.00 N ATOM 48 CA GLU A 17 3.441 -4.589 -8.658 1.00 0.00 C ATOM 49 C GLU A 17 4.168 -3.298 -9.039 1.00 0.00 C ATOM 50 O GLU A 17 5.138 -3.328 -9.795 1.00 0.00 O ATOM 51 CB GLU A 17 2.120 -4.720 -9.420 1.00 0.00 C ATOM 52 CG GLU A 17 2.326 -4.486 -10.918 1.00 0.00 C ATOM 53 CD GLU A 17 1.197 -5.122 -11.732 1.00 0.00 C ATOM 54 OE1 GLU A 17 1.133 -6.356 -11.843 1.00 0.00 O ATOM 55 OE2 GLU A 17 0.367 -4.288 -12.259 1.00 0.00 O ATOM 0 H GLU A 17 2.245 -4.557 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 17 4.070 -5.434 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.699 -5.712 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.399 -4.001 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.367 -3.416 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.283 -4.906 -11.227 1.00 0.00 H new ATOM 63 N GLN A 18 3.672 -2.195 -8.498 1.00 0.00 N ATOM 64 CA GLN A 18 4.262 -0.896 -8.772 1.00 0.00 C ATOM 65 C GLN A 18 5.748 -0.901 -8.409 1.00 0.00 C ATOM 66 O GLN A 18 6.549 -0.218 -9.046 1.00 0.00 O ATOM 67 CB GLN A 18 3.519 0.213 -8.024 1.00 0.00 C ATOM 68 CG GLN A 18 4.026 1.593 -8.446 1.00 0.00 C ATOM 69 CD GLN A 18 3.486 2.683 -7.517 1.00 0.00 C ATOM 70 OE1 GLN A 18 4.217 3.327 -6.783 1.00 0.00 O ATOM 71 NE2 GLN A 18 2.169 2.851 -7.589 1.00 0.00 N ATOM 0 H GLN A 18 2.868 -2.174 -7.871 1.00 0.00 H new ATOM 0 HA GLN A 18 4.169 -0.695 -9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.450 0.138 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.653 0.085 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.116 1.604 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.719 1.799 -9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.616 2.277 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.712 3.553 -7.008 1.00 0.00 H new ATOM 80 N TRP A 19 6.072 -1.680 -7.388 1.00 0.00 N ATOM 81 CA TRP A 19 7.448 -1.784 -6.933 1.00 0.00 C ATOM 82 C TRP A 19 8.290 -2.325 -8.090 1.00 0.00 C ATOM 83 O TRP A 19 9.460 -1.973 -8.229 1.00 0.00 O ATOM 84 CB TRP A 19 7.545 -2.642 -5.670 1.00 0.00 C ATOM 85 CG TRP A 19 8.931 -3.247 -5.434 1.00 0.00 C ATOM 86 CD1 TRP A 19 10.099 -2.606 -5.301 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.246 -4.650 -5.306 1.00 0.00 C ATOM 88 NE1 TRP A 19 11.141 -3.488 -5.098 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.605 -4.771 -5.102 1.00 0.00 C ATOM 90 CE3 TRP A 19 8.410 -5.779 -5.362 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.249 -6.003 -4.937 1.00 0.00 C ATOM 92 CZ3 TRP A 19 9.069 -7.003 -5.196 1.00 0.00 C ATOM 93 CH2 TRP A 19 10.436 -7.142 -4.989 1.00 0.00 C ATOM 0 H TRP A 19 5.405 -2.245 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 19 7.835 -0.805 -6.650 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.274 -2.033 -4.808 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.814 -3.448 -5.733 1.00 0.00 H new ATOM 0 HD1 TRP A 19 10.212 -1.533 -5.347 1.00 0.00 H new ATOM 0 HE1 TRP A 19 12.123 -3.244 -4.969 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.344 -5.708 -5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.315 -6.071 -4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.473 -7.903 -5.231 1.00 0.00 H new ATOM 0 HH2 TRP A 19 10.869 -8.124 -4.869 1.00 0.00 H new ATOM 104 N ALA A 20 7.661 -3.173 -8.891 1.00 0.00 N ATOM 105 CA ALA A 20 8.337 -3.766 -10.032 1.00 0.00 C ATOM 106 C ALA A 20 8.490 -2.714 -11.132 1.00 0.00 C ATOM 107 O ALA A 20 9.561 -2.578 -11.721 1.00 0.00 O ATOM 108 CB ALA A 20 7.559 -4.995 -10.504 1.00 0.00 C ATOM 0 H ALA A 20 6.690 -3.463 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 20 9.337 -4.100 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.066 -5.440 -11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.505 -5.724 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.551 -4.698 -10.793 1.00 0.00 H new ATOM 114 N MET A 21 7.403 -1.997 -11.377 1.00 0.00 N ATOM 115 CA MET A 21 7.403 -0.962 -12.396 1.00 0.00 C ATOM 116 C MET A 21 8.553 0.023 -12.178 1.00 0.00 C ATOM 117 O MET A 21 9.152 0.506 -13.137 1.00 0.00 O ATOM 118 CB MET A 21 6.071 -0.209 -12.359 1.00 0.00 C ATOM 119 CG MET A 21 4.981 -0.985 -13.101 1.00 0.00 C ATOM 120 SD MET A 21 4.878 -0.425 -14.793 1.00 0.00 S ATOM 121 CE MET A 21 4.279 1.237 -14.533 1.00 0.00 C ATOM 0 H MET A 21 6.516 -2.113 -10.887 1.00 0.00 H new ATOM 0 HA MET A 21 7.536 -1.436 -13.368 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.768 -0.049 -11.324 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.193 0.775 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.201 -2.052 -13.075 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.021 -0.845 -12.604 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.779 1.589 -15.435 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.574 1.244 -13.702 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.118 1.894 -14.303 1.00 0.00 H new ATOM 131 N GLN A 22 8.827 0.291 -10.909 1.00 0.00 N ATOM 132 CA GLN A 22 9.895 1.210 -10.553 1.00 0.00 C ATOM 133 C GLN A 22 11.077 1.046 -11.510 1.00 0.00 C ATOM 134 O GLN A 22 11.287 1.879 -12.391 1.00 0.00 O ATOM 135 CB GLN A 22 10.332 1.005 -9.101 1.00 0.00 C ATOM 136 CG GLN A 22 9.402 1.746 -8.138 1.00 0.00 C ATOM 137 CD GLN A 22 9.570 1.230 -6.708 1.00 0.00 C ATOM 138 OE1 GLN A 22 8.625 1.125 -5.943 1.00 0.00 O ATOM 139 NE2 GLN A 22 10.823 0.915 -6.390 1.00 0.00 N ATOM 0 H GLN A 22 8.328 -0.112 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 22 9.518 2.229 -10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.333 -0.059 -8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.354 1.361 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.616 2.814 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.367 1.618 -8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.567 1.027 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.039 0.562 -5.458 1.00 0.00 H new ATOM 148 N THR A 23 11.819 -0.032 -11.305 1.00 0.00 N ATOM 149 CA THR A 23 12.975 -0.315 -12.139 1.00 0.00 C ATOM 150 C THR A 23 12.562 -0.404 -13.610 1.00 0.00 C ATOM 151 O THR A 23 13.256 0.113 -14.484 1.00 0.00 O ATOM 152 CB THR A 23 13.634 -1.593 -11.615 1.00 0.00 C ATOM 153 OG1 THR A 23 14.537 -1.968 -12.652 1.00 0.00 O ATOM 154 CG2 THR A 23 12.655 -2.765 -11.531 1.00 0.00 C ATOM 0 H THR A 23 11.642 -0.720 -10.573 1.00 0.00 H new ATOM 0 HA THR A 23 13.707 0.491 -12.087 1.00 0.00 H new ATOM 0 HB THR A 23 14.059 -1.404 -10.629 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.009 -2.788 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.174 -3.646 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.838 -2.509 -10.857 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.255 -2.977 -12.523 1.00 0.00 H new ATOM 162 N LEU A 24 11.435 -1.062 -13.836 1.00 0.00 N ATOM 163 CA LEU A 24 10.922 -1.224 -15.186 1.00 0.00 C ATOM 164 C LEU A 24 11.160 0.064 -15.976 1.00 0.00 C ATOM 165 O LEU A 24 12.088 0.140 -16.781 1.00 0.00 O ATOM 166 CB LEU A 24 9.457 -1.663 -15.153 1.00 0.00 C ATOM 167 CG LEU A 24 8.893 -2.220 -16.462 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.859 -3.749 -16.437 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.519 -1.620 -16.767 1.00 0.00 C ATOM 0 H LEU A 24 10.863 -1.489 -13.108 1.00 0.00 H new ATOM 0 HA LEU A 24 11.458 -2.019 -15.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.343 -2.423 -14.379 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.849 -0.809 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 24 9.559 -1.926 -17.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.454 -4.119 -17.379 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.870 -4.133 -16.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.229 -4.086 -15.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.141 -2.033 -17.702 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.829 -1.862 -15.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.607 -0.537 -16.857 1.00 0.00 H new ATOM 181 N MET A 25 10.308 1.045 -15.719 1.00 0.00 N ATOM 182 CA MET A 25 10.414 2.326 -16.396 1.00 0.00 C ATOM 183 C MET A 25 11.758 2.995 -16.096 1.00 0.00 C ATOM 184 O MET A 25 12.252 3.789 -16.894 1.00 0.00 O ATOM 185 CB MET A 25 9.276 3.241 -15.940 1.00 0.00 C ATOM 186 CG MET A 25 9.046 3.121 -14.432 1.00 0.00 C ATOM 187 SD MET A 25 8.274 4.606 -13.812 1.00 0.00 S ATOM 188 CE MET A 25 7.132 4.940 -15.143 1.00 0.00 C ATOM 0 H MET A 25 9.540 0.978 -15.051 1.00 0.00 H new ATOM 0 HA MET A 25 10.346 2.154 -17.470 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.511 4.274 -16.194 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.361 2.982 -16.473 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.415 2.258 -14.220 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.996 2.955 -13.923 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.433 5.719 -14.836 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.685 5.274 -16.021 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.580 4.032 -15.385 1.00 0.00 H new ATOM 198 N GLY A 26 12.310 2.648 -14.943 1.00 0.00 N ATOM 199 CA GLY A 26 13.587 3.205 -14.527 1.00 0.00 C ATOM 200 C GLY A 26 14.677 2.904 -15.557 1.00 0.00 C ATOM 201 O GLY A 26 15.682 3.610 -15.627 1.00 0.00 O ATOM 0 H GLY A 26 11.897 1.988 -14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.493 4.283 -14.396 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.871 2.790 -13.560 1.00 0.00 H new ATOM 205 N SER A 27 14.442 1.855 -16.332 1.00 0.00 N ATOM 206 CA SER A 27 15.392 1.452 -17.355 1.00 0.00 C ATOM 207 C SER A 27 15.522 2.552 -18.410 1.00 0.00 C ATOM 208 O SER A 27 16.394 2.487 -19.276 1.00 0.00 O ATOM 209 CB SER A 27 14.970 0.135 -18.010 1.00 0.00 C ATOM 210 OG SER A 27 16.073 -0.542 -18.606 1.00 0.00 O ATOM 0 H SER A 27 13.607 1.272 -16.272 1.00 0.00 H new ATOM 0 HA SER A 27 16.361 1.296 -16.880 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.509 -0.511 -17.262 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.213 0.334 -18.769 1.00 0.00 H new ATOM 0 HG SER A 27 15.763 -1.378 -19.012 1.00 0.00 H new ATOM 216 N GLY A 28 14.642 3.537 -18.304 1.00 0.00 N ATOM 217 CA GLY A 28 14.647 4.649 -19.239 1.00 0.00 C ATOM 218 C GLY A 28 13.593 4.454 -20.331 1.00 0.00 C ATOM 219 O GLY A 28 13.594 5.165 -21.334 1.00 0.00 O ATOM 0 H GLY A 28 13.921 3.588 -17.585 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.454 5.579 -18.704 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.633 4.742 -19.693 1.00 0.00 H new ATOM 223 N VAL A 29 12.719 3.485 -20.098 1.00 0.00 N ATOM 224 CA VAL A 29 11.662 3.187 -21.049 1.00 0.00 C ATOM 225 C VAL A 29 10.590 4.277 -20.972 1.00 0.00 C ATOM 226 O VAL A 29 10.151 4.794 -21.997 1.00 0.00 O ATOM 227 CB VAL A 29 11.107 1.784 -20.792 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.880 1.512 -21.664 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.184 0.720 -21.013 1.00 0.00 C ATOM 0 H VAL A 29 12.722 2.897 -19.265 1.00 0.00 H new ATOM 0 HA VAL A 29 12.053 3.186 -22.066 1.00 0.00 H new ATOM 0 HB VAL A 29 10.794 1.733 -19.749 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.505 0.509 -21.462 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.103 2.242 -21.437 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.156 1.591 -22.715 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.764 -0.268 -20.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.541 0.772 -22.042 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.016 0.897 -20.331 1.00 0.00 H new ATOM 239 N LEU A 30 10.201 4.593 -19.745 1.00 0.00 N ATOM 240 CA LEU A 30 9.189 5.611 -19.521 1.00 0.00 C ATOM 241 C LEU A 30 9.856 6.875 -18.973 1.00 0.00 C ATOM 242 O LEU A 30 11.069 6.902 -18.769 1.00 0.00 O ATOM 243 CB LEU A 30 8.071 5.069 -18.628 1.00 0.00 C ATOM 244 CG LEU A 30 6.947 4.317 -19.343 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.153 3.454 -18.360 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.046 5.282 -20.116 1.00 0.00 C ATOM 0 H LEU A 30 10.568 4.162 -18.897 1.00 0.00 H new ATOM 0 HA LEU A 30 8.710 5.885 -20.461 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.515 4.402 -17.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.632 5.904 -18.082 1.00 0.00 H new ATOM 0 HG LEU A 30 7.397 3.643 -20.072 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.360 2.930 -18.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.818 2.727 -17.894 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.714 4.089 -17.591 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.256 4.721 -20.615 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.602 5.998 -19.425 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.638 5.815 -20.860 1.00 0.00 H new ATOM 258 N ALA A 31 9.034 7.890 -18.749 1.00 0.00 N ATOM 259 CA ALA A 31 9.529 9.152 -18.228 1.00 0.00 C ATOM 260 C ALA A 31 8.922 9.403 -16.847 1.00 0.00 C ATOM 261 O ALA A 31 7.712 9.278 -16.665 1.00 0.00 O ATOM 262 CB ALA A 31 9.208 10.274 -19.218 1.00 0.00 C ATOM 0 H ALA A 31 8.029 7.864 -18.919 1.00 0.00 H new ATOM 0 HA ALA A 31 10.612 9.120 -18.111 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.579 11.221 -18.827 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.687 10.063 -20.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.129 10.338 -19.359 1.00 0.00 H new ATOM 268 N ARG A 32 9.790 9.751 -15.908 1.00 0.00 N ATOM 269 CA ARG A 32 9.354 10.019 -14.548 1.00 0.00 C ATOM 270 C ARG A 32 9.819 11.408 -14.106 1.00 0.00 C ATOM 271 O ARG A 32 10.875 11.877 -14.529 1.00 0.00 O ATOM 272 CB ARG A 32 9.902 8.972 -13.577 1.00 0.00 C ATOM 273 CG ARG A 32 11.431 9.016 -13.529 1.00 0.00 C ATOM 274 CD ARG A 32 11.919 9.881 -12.365 1.00 0.00 C ATOM 275 NE ARG A 32 12.106 9.046 -11.158 1.00 0.00 N ATOM 276 CZ ARG A 32 12.854 9.405 -10.105 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.489 10.585 -10.105 1.00 0.00 N ATOM 278 NH2 ARG A 32 12.967 8.584 -9.053 1.00 0.00 N ATOM 0 H ARG A 32 10.793 9.854 -16.062 1.00 0.00 H new ATOM 0 HA ARG A 32 8.265 9.975 -14.534 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.498 9.149 -12.580 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.573 7.979 -13.883 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.824 8.005 -13.425 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.817 9.413 -14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.858 10.366 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.198 10.672 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 32 11.637 8.141 -11.125 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.403 11.210 -10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.058 10.858 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.484 7.686 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.536 8.857 -8.252 1.00 0.00 H new ATOM 292 N CYS A 33 9.009 12.028 -13.261 1.00 0.00 N ATOM 293 CA CYS A 33 9.324 13.354 -12.757 1.00 0.00 C ATOM 294 C CYS A 33 10.136 13.197 -11.469 1.00 0.00 C ATOM 295 O CYS A 33 9.765 12.425 -10.587 1.00 0.00 O ATOM 296 CB CYS A 33 8.063 14.191 -12.538 1.00 0.00 C ATOM 297 SG CYS A 33 7.573 15.005 -14.102 1.00 0.00 S ATOM 0 H CYS A 33 8.134 11.636 -12.912 1.00 0.00 H new ATOM 0 HA CYS A 33 9.915 13.895 -13.495 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.253 13.556 -12.179 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.244 14.942 -11.769 1.00 0.00 H new ATOM 0 HG CYS A 33 6.794 16.012 -13.841 1.00 0.00 H new ATOM 302 N ARG A 34 11.229 13.943 -11.403 1.00 0.00 N ATOM 303 CA ARG A 34 12.096 13.897 -10.238 1.00 0.00 C ATOM 304 C ARG A 34 11.298 14.203 -8.969 1.00 0.00 C ATOM 305 O ARG A 34 11.652 13.746 -7.883 1.00 0.00 O ATOM 306 CB ARG A 34 13.243 14.902 -10.365 1.00 0.00 C ATOM 307 CG ARG A 34 13.951 15.098 -9.023 1.00 0.00 C ATOM 308 CD ARG A 34 14.514 13.775 -8.501 1.00 0.00 C ATOM 309 NE ARG A 34 15.807 13.481 -9.158 1.00 0.00 N ATOM 310 CZ ARG A 34 16.928 14.190 -8.962 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.920 15.238 -8.127 1.00 0.00 N ATOM 312 NH2 ARG A 34 18.056 13.850 -9.600 1.00 0.00 N ATOM 0 H ARG A 34 11.534 14.582 -12.137 1.00 0.00 H new ATOM 0 HA ARG A 34 12.513 12.892 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.958 14.551 -11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.856 15.858 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.758 15.821 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.252 15.512 -8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.650 13.829 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.807 12.968 -8.694 1.00 0.00 H new ATOM 0 HE ARG A 34 15.848 12.690 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.061 15.496 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.773 15.778 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.062 13.052 -10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.909 14.389 -9.451 1.00 0.00 H new ATOM 326 N ILE A 35 10.234 14.973 -9.148 1.00 0.00 N ATOM 327 CA ILE A 35 9.383 15.344 -8.031 1.00 0.00 C ATOM 328 C ILE A 35 8.256 14.319 -7.891 1.00 0.00 C ATOM 329 O ILE A 35 7.638 14.211 -6.833 1.00 0.00 O ATOM 330 CB ILE A 35 8.888 16.783 -8.191 1.00 0.00 C ATOM 331 CG1 ILE A 35 7.789 17.101 -7.175 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.435 17.052 -9.627 1.00 0.00 C ATOM 333 CD1 ILE A 35 7.240 18.514 -7.384 1.00 0.00 C ATOM 0 H ILE A 35 9.942 15.350 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 35 9.948 15.326 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 35 9.722 17.455 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.981 16.376 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.185 17.007 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.088 18.082 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.271 16.893 -10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.622 16.373 -9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.461 18.714 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.046 19.239 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.822 18.597 -8.387 1.00 0.00 H new ATOM 345 N HIS A 36 8.023 13.591 -8.974 1.00 0.00 N ATOM 346 CA HIS A 36 6.982 12.578 -8.985 1.00 0.00 C ATOM 347 C HIS A 36 7.611 11.198 -9.192 1.00 0.00 C ATOM 348 O HIS A 36 8.005 10.852 -10.304 1.00 0.00 O ATOM 349 CB HIS A 36 5.916 12.906 -10.032 1.00 0.00 C ATOM 350 CG HIS A 36 5.755 14.383 -10.303 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.732 15.332 -9.296 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.610 15.063 -11.476 1.00 0.00 C ATOM 353 CE1 HIS A 36 5.579 16.526 -9.849 1.00 0.00 C ATOM 354 NE2 HIS A 36 5.503 16.357 -11.200 1.00 0.00 N ATOM 0 H HIS A 36 8.538 13.683 -9.850 1.00 0.00 H new ATOM 0 HA HIS A 36 6.471 12.566 -8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.170 12.402 -10.964 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.960 12.501 -9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.586 14.623 -12.462 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.524 17.467 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.384 17.102 -11.886 1.00 0.00 H new ATOM 362 N ASN A 37 7.685 10.448 -8.102 1.00 0.00 N ATOM 363 CA ASN A 37 8.259 9.114 -8.149 1.00 0.00 C ATOM 364 C ASN A 37 7.135 8.084 -8.275 1.00 0.00 C ATOM 365 O ASN A 37 7.351 6.983 -8.778 1.00 0.00 O ATOM 366 CB ASN A 37 9.042 8.806 -6.872 1.00 0.00 C ATOM 367 CG ASN A 37 10.458 9.380 -6.944 1.00 0.00 C ATOM 368 OD1 ASN A 37 11.426 8.768 -6.523 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.525 10.586 -7.500 1.00 0.00 N ATOM 0 H ASN A 37 7.357 10.739 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 37 8.932 9.067 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.520 9.224 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.090 7.727 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.426 11.055 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.675 11.043 -7.832 1.00 0.00 H new ATOM 376 N ASP A 38 5.959 8.479 -7.810 1.00 0.00 N ATOM 377 CA ASP A 38 4.800 7.604 -7.865 1.00 0.00 C ATOM 378 C ASP A 38 3.953 7.962 -9.087 1.00 0.00 C ATOM 379 O ASP A 38 2.760 7.664 -9.129 1.00 0.00 O ATOM 380 CB ASP A 38 3.927 7.769 -6.619 1.00 0.00 C ATOM 381 CG ASP A 38 4.353 6.927 -5.415 1.00 0.00 C ATOM 382 OD1 ASP A 38 5.275 6.103 -5.506 1.00 0.00 O ATOM 383 OD2 ASP A 38 3.685 7.146 -4.333 1.00 0.00 O ATOM 0 H ASP A 38 5.784 9.393 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 38 5.156 6.575 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.930 8.819 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.899 7.513 -6.877 1.00 0.00 H new ATOM 389 N VAL A 39 4.602 8.596 -10.052 1.00 0.00 N ATOM 390 CA VAL A 39 3.923 8.998 -11.273 1.00 0.00 C ATOM 391 C VAL A 39 4.631 8.370 -12.475 1.00 0.00 C ATOM 392 O VAL A 39 5.853 8.232 -12.479 1.00 0.00 O ATOM 393 CB VAL A 39 3.850 10.524 -11.352 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.426 10.980 -12.750 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.909 11.084 -10.284 1.00 0.00 C ATOM 0 H VAL A 39 5.591 8.842 -10.014 1.00 0.00 H new ATOM 0 HA VAL A 39 2.895 8.636 -11.276 1.00 0.00 H new ATOM 0 HB VAL A 39 4.848 10.918 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.382 12.069 -12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.151 10.626 -13.483 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.443 10.570 -12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.875 12.171 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.908 10.678 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.272 10.803 -9.296 1.00 0.00 H new ATOM 405 N ILE A 40 3.832 8.005 -13.467 1.00 0.00 N ATOM 406 CA ILE A 40 4.366 7.395 -14.673 1.00 0.00 C ATOM 407 C ILE A 40 3.883 8.180 -15.894 1.00 0.00 C ATOM 408 O ILE A 40 2.682 8.267 -16.145 1.00 0.00 O ATOM 409 CB ILE A 40 4.015 5.907 -14.721 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.898 5.417 -16.166 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.748 5.616 -13.913 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.478 3.947 -16.214 1.00 0.00 C ATOM 0 H ILE A 40 2.819 8.120 -13.460 1.00 0.00 H new ATOM 0 HA ILE A 40 5.455 7.443 -14.673 1.00 0.00 H new ATOM 0 HB ILE A 40 4.828 5.349 -14.257 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.169 6.025 -16.702 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.854 5.543 -16.675 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.521 4.551 -13.964 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.905 5.904 -12.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.915 6.185 -14.325 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.402 3.624 -17.252 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.221 3.339 -15.698 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.511 3.829 -15.726 1.00 0.00 H new ATOM 424 N LEU A 41 4.843 8.733 -16.620 1.00 0.00 N ATOM 425 CA LEU A 41 4.531 9.508 -17.809 1.00 0.00 C ATOM 426 C LEU A 41 4.977 8.732 -19.050 1.00 0.00 C ATOM 427 O LEU A 41 6.068 8.165 -19.073 1.00 0.00 O ATOM 428 CB LEU A 41 5.136 10.909 -17.709 1.00 0.00 C ATOM 429 CG LEU A 41 4.374 11.908 -16.835 1.00 0.00 C ATOM 430 CD1 LEU A 41 5.330 12.915 -16.192 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.266 12.599 -17.632 1.00 0.00 C ATOM 0 H LEU A 41 5.838 8.660 -16.408 1.00 0.00 H new ATOM 0 HA LEU A 41 3.455 9.656 -17.896 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.151 10.818 -17.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.214 11.322 -18.715 1.00 0.00 H new ATOM 0 HG LEU A 41 3.894 11.357 -16.026 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.763 13.613 -15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.051 12.386 -15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.858 13.465 -16.971 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.740 13.304 -16.988 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.704 13.134 -18.475 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.564 11.852 -18.002 1.00 0.00 H new ATOM 443 N ASP A 42 4.111 8.733 -20.052 1.00 0.00 N ATOM 444 CA ASP A 42 4.402 8.037 -21.294 1.00 0.00 C ATOM 445 C ASP A 42 5.577 8.722 -21.994 1.00 0.00 C ATOM 446 O ASP A 42 5.514 9.912 -22.300 1.00 0.00 O ATOM 447 CB ASP A 42 3.201 8.073 -22.241 1.00 0.00 C ATOM 448 CG ASP A 42 3.086 6.875 -23.185 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.602 7.001 -24.320 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.523 5.760 -22.707 1.00 0.00 O ATOM 0 H ASP A 42 3.207 9.205 -20.029 1.00 0.00 H new ATOM 0 HA ASP A 42 4.639 7.001 -21.052 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.290 8.136 -21.646 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.255 8.983 -22.838 1.00 0.00 H new ATOM 456 N SER A 43 6.623 7.942 -22.228 1.00 0.00 N ATOM 457 CA SER A 43 7.810 8.459 -22.886 1.00 0.00 C ATOM 458 C SER A 43 7.789 8.089 -24.370 1.00 0.00 C ATOM 459 O SER A 43 8.374 8.788 -25.197 1.00 0.00 O ATOM 460 CB SER A 43 9.083 7.926 -22.224 1.00 0.00 C ATOM 461 OG SER A 43 10.239 8.654 -22.628 1.00 0.00 O ATOM 0 H SER A 43 6.672 6.956 -21.973 1.00 0.00 H new ATOM 0 HA SER A 43 7.809 9.545 -22.789 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.979 7.983 -21.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.210 6.874 -22.478 1.00 0.00 H new ATOM 0 HG SER A 43 11.030 8.285 -22.183 1.00 0.00 H new ATOM 467 N GLY A 44 7.108 6.990 -24.664 1.00 0.00 N ATOM 468 CA GLY A 44 7.003 6.519 -26.034 1.00 0.00 C ATOM 469 C GLY A 44 8.318 5.892 -26.501 1.00 0.00 C ATOM 470 O GLY A 44 8.550 5.747 -27.700 1.00 0.00 O ATOM 0 H GLY A 44 6.624 6.413 -23.976 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.200 5.786 -26.110 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.739 7.350 -26.689 1.00 0.00 H new ATOM 474 N ASN A 45 9.145 5.537 -25.529 1.00 0.00 N ATOM 475 CA ASN A 45 10.431 4.928 -25.825 1.00 0.00 C ATOM 476 C ASN A 45 10.233 3.437 -26.103 1.00 0.00 C ATOM 477 O ASN A 45 9.114 2.931 -26.027 1.00 0.00 O ATOM 478 CB ASN A 45 11.391 5.065 -24.641 1.00 0.00 C ATOM 479 CG ASN A 45 12.847 5.055 -25.112 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.323 5.974 -25.758 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.524 3.968 -24.753 1.00 0.00 N ATOM 0 H ASN A 45 8.950 5.659 -24.535 1.00 0.00 H new ATOM 0 HA ASN A 45 10.853 5.436 -26.692 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.184 5.992 -24.106 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.227 4.248 -23.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.504 3.866 -25.019 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.064 3.236 -24.212 1.00 0.00 H new ATOM 488 N ASP A 46 11.336 2.775 -26.419 1.00 0.00 N ATOM 489 CA ASP A 46 11.298 1.351 -26.709 1.00 0.00 C ATOM 490 C ASP A 46 10.680 0.610 -25.521 1.00 0.00 C ATOM 491 O ASP A 46 11.322 0.447 -24.485 1.00 0.00 O ATOM 492 CB ASP A 46 12.706 0.797 -26.932 1.00 0.00 C ATOM 493 CG ASP A 46 13.369 1.223 -28.243 1.00 0.00 C ATOM 494 OD1 ASP A 46 12.796 1.994 -29.027 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.540 0.723 -28.449 1.00 0.00 O ATOM 0 H ASP A 46 12.262 3.198 -26.481 1.00 0.00 H new ATOM 0 HA ASP A 46 10.707 1.206 -27.613 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.340 1.112 -26.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.661 -0.292 -26.902 1.00 0.00 H new ATOM 501 N ALA A 47 9.441 0.181 -25.712 1.00 0.00 N ATOM 502 CA ALA A 47 8.730 -0.539 -24.670 1.00 0.00 C ATOM 503 C ALA A 47 9.368 -1.916 -24.480 1.00 0.00 C ATOM 504 O ALA A 47 9.068 -2.616 -23.514 1.00 0.00 O ATOM 505 CB ALA A 47 7.246 -0.629 -25.033 1.00 0.00 C ATOM 0 H ALA A 47 8.912 0.318 -26.573 1.00 0.00 H new ATOM 0 HA ALA A 47 8.802 -0.009 -23.720 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.712 -1.169 -24.251 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.833 0.375 -25.127 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.134 -1.157 -25.980 1.00 0.00 H new ATOM 511 N SER A 48 10.237 -2.264 -25.418 1.00 0.00 N ATOM 512 CA SER A 48 10.921 -3.545 -25.366 1.00 0.00 C ATOM 513 C SER A 48 11.840 -3.599 -24.144 1.00 0.00 C ATOM 514 O SER A 48 11.777 -4.542 -23.357 1.00 0.00 O ATOM 515 CB SER A 48 11.724 -3.793 -26.645 1.00 0.00 C ATOM 516 OG SER A 48 12.896 -2.986 -26.704 1.00 0.00 O ATOM 0 H SER A 48 10.483 -1.681 -26.218 1.00 0.00 H new ATOM 0 HA SER A 48 10.170 -4.330 -25.282 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.005 -4.845 -26.698 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.097 -3.586 -27.512 1.00 0.00 H new ATOM 0 HG SER A 48 13.382 -3.175 -27.534 1.00 0.00 H new ATOM 522 N SER A 49 12.673 -2.575 -24.024 1.00 0.00 N ATOM 523 CA SER A 49 13.603 -2.494 -22.912 1.00 0.00 C ATOM 524 C SER A 49 12.854 -2.668 -21.589 1.00 0.00 C ATOM 525 O SER A 49 13.334 -3.350 -20.685 1.00 0.00 O ATOM 526 CB SER A 49 14.360 -1.164 -22.922 1.00 0.00 C ATOM 527 OG SER A 49 14.369 -0.566 -24.215 1.00 0.00 O ATOM 0 H SER A 49 12.723 -1.795 -24.679 1.00 0.00 H new ATOM 0 HA SER A 49 14.332 -3.297 -23.018 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.900 -0.480 -22.209 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.386 -1.328 -22.591 1.00 0.00 H new ATOM 0 HG SER A 49 14.860 0.281 -24.180 1.00 0.00 H new ATOM 533 N ALA A 50 11.690 -2.039 -21.518 1.00 0.00 N ATOM 534 CA ALA A 50 10.870 -2.115 -20.321 1.00 0.00 C ATOM 535 C ALA A 50 10.341 -3.542 -20.161 1.00 0.00 C ATOM 536 O ALA A 50 10.457 -4.134 -19.089 1.00 0.00 O ATOM 537 CB ALA A 50 9.744 -1.083 -20.406 1.00 0.00 C ATOM 0 H ALA A 50 11.295 -1.474 -22.270 1.00 0.00 H new ATOM 0 HA ALA A 50 11.461 -1.880 -19.436 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.129 -1.141 -19.508 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.172 -0.084 -20.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.128 -1.288 -21.281 1.00 0.00 H new ATOM 543 N TYR A 51 9.772 -4.053 -21.242 1.00 0.00 N ATOM 544 CA TYR A 51 9.225 -5.399 -21.235 1.00 0.00 C ATOM 545 C TYR A 51 10.289 -6.421 -20.830 1.00 0.00 C ATOM 546 O TYR A 51 9.978 -7.428 -20.195 1.00 0.00 O ATOM 547 CB TYR A 51 8.783 -5.683 -22.672 1.00 0.00 C ATOM 548 CG TYR A 51 7.406 -5.115 -23.023 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.359 -5.245 -22.134 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.211 -4.474 -24.230 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.063 -4.711 -22.464 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.916 -3.940 -24.560 1.00 0.00 C ATOM 553 CZ TYR A 51 4.905 -4.085 -23.661 1.00 0.00 C ATOM 554 OH TYR A 51 3.681 -3.581 -23.974 1.00 0.00 O ATOM 0 H TYR A 51 9.678 -3.559 -22.129 1.00 0.00 H new ATOM 0 HA TYR A 51 8.404 -5.475 -20.522 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.522 -5.267 -23.357 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.771 -6.761 -22.831 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.511 -5.747 -21.190 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.030 -4.373 -24.927 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.235 -4.805 -21.777 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.750 -3.435 -25.500 1.00 0.00 H new ATOM 0 HH TYR A 51 3.717 -3.161 -24.859 1.00 0.00 H new ATOM 564 N LYS A 52 11.522 -6.128 -21.215 1.00 0.00 N ATOM 565 CA LYS A 52 12.634 -7.008 -20.900 1.00 0.00 C ATOM 566 C LYS A 52 12.926 -6.938 -19.399 1.00 0.00 C ATOM 567 O LYS A 52 13.042 -7.968 -18.737 1.00 0.00 O ATOM 568 CB LYS A 52 13.843 -6.679 -21.777 1.00 0.00 C ATOM 569 CG LYS A 52 13.825 -7.502 -23.067 1.00 0.00 C ATOM 570 CD LYS A 52 12.760 -6.981 -24.034 1.00 0.00 C ATOM 571 CE LYS A 52 12.523 -7.973 -25.175 1.00 0.00 C ATOM 572 NZ LYS A 52 13.801 -8.584 -25.605 1.00 0.00 N ATOM 0 H LYS A 52 11.776 -5.293 -21.743 1.00 0.00 H new ATOM 0 HA LYS A 52 12.376 -8.042 -21.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.842 -5.616 -22.019 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.762 -6.880 -21.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.805 -7.461 -23.543 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.628 -8.548 -22.833 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.827 -6.810 -23.496 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.073 -6.020 -24.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.832 -8.751 -24.851 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.056 -7.463 -26.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.679 -9.021 -26.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.536 -7.850 -25.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.087 -9.311 -24.918 1.00 0.00 H new ATOM 586 N LEU A 53 13.035 -5.713 -18.907 1.00 0.00 N ATOM 587 CA LEU A 53 13.310 -5.495 -17.497 1.00 0.00 C ATOM 588 C LEU A 53 12.135 -6.014 -16.666 1.00 0.00 C ATOM 589 O LEU A 53 12.313 -6.420 -15.519 1.00 0.00 O ATOM 590 CB LEU A 53 13.645 -4.024 -17.238 1.00 0.00 C ATOM 591 CG LEU A 53 14.108 -3.682 -15.820 1.00 0.00 C ATOM 592 CD1 LEU A 53 12.941 -3.743 -14.832 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.270 -4.580 -15.391 1.00 0.00 C ATOM 0 H LEU A 53 12.938 -4.861 -19.459 1.00 0.00 H new ATOM 0 HA LEU A 53 14.191 -6.058 -17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.425 -3.721 -17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.763 -3.425 -17.465 1.00 0.00 H new ATOM 0 HG LEU A 53 14.477 -2.656 -15.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.298 -3.496 -13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.174 -3.029 -15.131 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.519 -4.748 -14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.580 -4.316 -14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.952 -5.622 -15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.108 -4.442 -16.075 1.00 0.00 H new ATOM 605 N GLY A 54 10.960 -5.983 -17.278 1.00 0.00 N ATOM 606 CA GLY A 54 9.756 -6.446 -16.609 1.00 0.00 C ATOM 607 C GLY A 54 9.700 -7.974 -16.575 1.00 0.00 C ATOM 608 O GLY A 54 9.375 -8.564 -15.546 1.00 0.00 O ATOM 0 H GLY A 54 10.816 -5.645 -18.229 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.728 -6.055 -15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.877 -6.058 -17.124 1.00 0.00 H new ATOM 612 N THR A 55 10.022 -8.571 -17.713 1.00 0.00 N ATOM 613 CA THR A 55 10.012 -10.020 -17.827 1.00 0.00 C ATOM 614 C THR A 55 11.049 -10.636 -16.885 1.00 0.00 C ATOM 615 O THR A 55 10.829 -11.712 -16.333 1.00 0.00 O ATOM 616 CB THR A 55 10.237 -10.380 -19.297 1.00 0.00 C ATOM 617 OG1 THR A 55 11.209 -9.438 -19.741 1.00 0.00 O ATOM 618 CG2 THR A 55 9.011 -10.088 -20.165 1.00 0.00 C ATOM 0 H THR A 55 10.291 -8.078 -18.564 1.00 0.00 H new ATOM 0 HA THR A 55 9.052 -10.435 -17.519 1.00 0.00 H new ATOM 0 HB THR A 55 10.495 -11.436 -19.376 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.765 -8.720 -20.238 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.224 -10.361 -21.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.162 -10.669 -19.803 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.773 -9.026 -20.112 1.00 0.00 H new ATOM 626 N TYR A 56 12.157 -9.925 -16.731 1.00 0.00 N ATOM 627 CA TYR A 56 13.228 -10.389 -15.866 1.00 0.00 C ATOM 628 C TYR A 56 12.845 -10.241 -14.392 1.00 0.00 C ATOM 629 O TYR A 56 12.940 -11.197 -13.624 1.00 0.00 O ATOM 630 CB TYR A 56 14.429 -9.487 -16.161 1.00 0.00 C ATOM 631 CG TYR A 56 15.771 -10.073 -15.719 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.435 -10.968 -16.533 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.318 -9.706 -14.506 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.698 -11.519 -16.117 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.581 -10.258 -14.090 1.00 0.00 C ATOM 636 CZ TYR A 56 18.209 -11.137 -14.916 1.00 0.00 C ATOM 637 OH TYR A 56 19.402 -11.658 -14.523 1.00 0.00 O ATOM 0 H TYR A 56 12.336 -9.032 -17.190 1.00 0.00 H new ATOM 0 HA TYR A 56 13.441 -11.442 -16.050 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.466 -9.288 -17.232 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.281 -8.528 -15.664 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.007 -11.255 -17.482 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.799 -9.005 -13.869 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.228 -12.220 -16.745 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.020 -9.980 -13.143 1.00 0.00 H new ATOM 0 HH TYR A 56 19.644 -11.295 -13.646 1.00 0.00 H new ATOM 647 N LEU A 57 12.421 -9.036 -14.042 1.00 0.00 N ATOM 648 CA LEU A 57 12.023 -8.751 -12.673 1.00 0.00 C ATOM 649 C LEU A 57 10.872 -9.678 -12.278 1.00 0.00 C ATOM 650 O LEU A 57 10.914 -10.311 -11.224 1.00 0.00 O ATOM 651 CB LEU A 57 11.701 -7.265 -12.508 1.00 0.00 C ATOM 652 CG LEU A 57 11.877 -6.693 -11.099 1.00 0.00 C ATOM 653 CD1 LEU A 57 13.297 -6.161 -10.896 1.00 0.00 C ATOM 654 CD2 LEU A 57 10.818 -5.629 -10.804 1.00 0.00 C ATOM 0 H LEU A 57 12.344 -8.246 -14.682 1.00 0.00 H new ATOM 0 HA LEU A 57 12.845 -8.953 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.334 -6.698 -13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.669 -7.100 -12.819 1.00 0.00 H new ATOM 0 HG LEU A 57 11.731 -7.500 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.395 -5.760 -9.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.013 -6.971 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.497 -5.372 -11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.965 -5.239 -9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.908 -4.816 -11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.825 -6.073 -10.880 1.00 0.00 H new ATOM 666 N TYR A 58 9.871 -9.728 -13.144 1.00 0.00 N ATOM 667 CA TYR A 58 8.710 -10.567 -12.899 1.00 0.00 C ATOM 668 C TYR A 58 9.107 -12.042 -12.816 1.00 0.00 C ATOM 669 O TYR A 58 8.594 -12.780 -11.977 1.00 0.00 O ATOM 670 CB TYR A 58 7.784 -10.367 -14.100 1.00 0.00 C ATOM 671 CG TYR A 58 7.026 -9.038 -14.087 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.498 -8.556 -12.906 1.00 0.00 C ATOM 673 CD2 TYR A 58 6.869 -8.321 -15.256 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.785 -7.305 -12.894 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.156 -7.070 -15.243 1.00 0.00 C ATOM 676 CZ TYR A 58 5.649 -6.624 -14.063 1.00 0.00 C ATOM 677 OH TYR A 58 4.975 -5.442 -14.051 1.00 0.00 O ATOM 0 H TYR A 58 9.840 -9.201 -14.017 1.00 0.00 H new ATOM 0 HA TYR A 58 8.235 -10.298 -11.956 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.374 -10.428 -15.015 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.063 -11.184 -14.130 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.620 -9.117 -11.991 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.281 -8.698 -16.180 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.368 -6.916 -11.977 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.027 -6.499 -16.150 1.00 0.00 H new ATOM 0 HH TYR A 58 5.083 -5.013 -13.177 1.00 0.00 H new ATOM 687 N GLN A 59 10.017 -12.427 -13.699 1.00 0.00 N ATOM 688 CA GLN A 59 10.489 -13.801 -13.736 1.00 0.00 C ATOM 689 C GLN A 59 11.419 -14.075 -12.553 1.00 0.00 C ATOM 690 O GLN A 59 11.731 -13.169 -11.781 1.00 0.00 O ATOM 691 CB GLN A 59 11.187 -14.105 -15.063 1.00 0.00 C ATOM 692 CG GLN A 59 10.172 -14.220 -16.202 1.00 0.00 C ATOM 693 CD GLN A 59 9.648 -15.652 -16.327 1.00 0.00 C ATOM 694 OE1 GLN A 59 10.344 -16.620 -16.068 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.385 -15.733 -16.738 1.00 0.00 N ATOM 0 H GLN A 59 10.440 -11.812 -14.394 1.00 0.00 H new ATOM 0 HA GLN A 59 9.627 -14.463 -13.656 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.905 -13.317 -15.289 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.750 -15.034 -14.977 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.340 -13.539 -16.023 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.637 -13.916 -17.140 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.858 -14.883 -16.938 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.944 -16.645 -16.853 1.00 0.00 H new ATOM 856 N LEU A 70 3.711 -14.502 -18.632 1.00 0.00 N ATOM 857 CA LEU A 70 4.316 -13.383 -19.334 1.00 0.00 C ATOM 858 C LEU A 70 3.219 -12.417 -19.786 1.00 0.00 C ATOM 859 O LEU A 70 3.386 -11.201 -19.707 1.00 0.00 O ATOM 860 CB LEU A 70 5.204 -13.883 -20.475 1.00 0.00 C ATOM 861 CG LEU A 70 6.378 -12.979 -20.857 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.932 -11.520 -20.973 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.541 -13.147 -19.877 1.00 0.00 C ATOM 0 HA LEU A 70 4.976 -12.827 -18.668 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.599 -14.861 -20.200 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.581 -14.028 -21.357 1.00 0.00 H new ATOM 0 HG LEU A 70 6.738 -13.284 -21.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.786 -10.899 -21.245 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.162 -11.435 -21.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.530 -11.185 -20.017 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.362 -12.493 -20.171 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.211 -12.885 -18.872 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.880 -14.183 -19.889 1.00 0.00 H new ATOM 875 N THR A 71 2.121 -12.994 -20.250 1.00 0.00 N ATOM 876 CA THR A 71 0.996 -12.200 -20.715 1.00 0.00 C ATOM 877 C THR A 71 0.506 -11.269 -19.604 1.00 0.00 C ATOM 878 O THR A 71 0.232 -10.095 -19.850 1.00 0.00 O ATOM 879 CB THR A 71 -0.082 -13.159 -21.224 1.00 0.00 C ATOM 880 OG1 THR A 71 0.485 -13.725 -22.402 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.328 -12.426 -21.725 1.00 0.00 C ATOM 0 H THR A 71 1.986 -14.003 -20.314 1.00 0.00 H new ATOM 0 HA THR A 71 1.286 -11.548 -21.539 1.00 0.00 H new ATOM 0 HB THR A 71 -0.362 -13.847 -20.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.148 -14.361 -22.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.061 -13.152 -22.075 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.757 -11.840 -20.912 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.055 -11.763 -22.545 1.00 0.00 H new ATOM 889 N GLU A 72 0.411 -11.827 -18.407 1.00 0.00 N ATOM 890 CA GLU A 72 -0.042 -11.061 -17.258 1.00 0.00 C ATOM 891 C GLU A 72 0.868 -9.852 -17.034 1.00 0.00 C ATOM 892 O GLU A 72 0.389 -8.729 -16.886 1.00 0.00 O ATOM 893 CB GLU A 72 -0.106 -11.938 -16.006 1.00 0.00 C ATOM 894 CG GLU A 72 -1.383 -12.781 -15.991 1.00 0.00 C ATOM 895 CD GLU A 72 -2.626 -11.894 -16.080 1.00 0.00 C ATOM 896 OE1 GLU A 72 -3.192 -11.726 -17.171 1.00 0.00 O ATOM 897 OE2 GLU A 72 -3.003 -11.369 -14.963 1.00 0.00 O ATOM 0 H GLU A 72 0.640 -12.801 -18.207 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.050 -10.700 -17.461 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.766 -12.591 -15.971 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.070 -11.310 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.371 -13.481 -16.826 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.420 -13.375 -15.078 1.00 0.00 H new ATOM 905 N ALA A 73 2.165 -10.122 -17.017 1.00 0.00 N ATOM 906 CA ALA A 73 3.147 -9.070 -16.814 1.00 0.00 C ATOM 907 C ALA A 73 2.990 -8.014 -17.910 1.00 0.00 C ATOM 908 O ALA A 73 2.885 -6.824 -17.619 1.00 0.00 O ATOM 909 CB ALA A 73 4.550 -9.679 -16.788 1.00 0.00 C ATOM 0 H ALA A 73 2.559 -11.055 -17.141 1.00 0.00 H new ATOM 0 HA ALA A 73 2.988 -8.577 -15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.286 -8.890 -16.636 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.618 -10.401 -15.974 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.746 -10.181 -17.736 1.00 0.00 H new ATOM 915 N ARG A 74 2.978 -8.488 -19.147 1.00 0.00 N ATOM 916 CA ARG A 74 2.835 -7.599 -20.288 1.00 0.00 C ATOM 917 C ARG A 74 1.573 -6.747 -20.142 1.00 0.00 C ATOM 918 O ARG A 74 1.545 -5.594 -20.570 1.00 0.00 O ATOM 919 CB ARG A 74 2.761 -8.390 -21.596 1.00 0.00 C ATOM 920 CG ARG A 74 3.280 -7.557 -22.770 1.00 0.00 C ATOM 921 CD ARG A 74 2.143 -6.780 -23.436 1.00 0.00 C ATOM 922 NE ARG A 74 1.222 -7.717 -24.118 1.00 0.00 N ATOM 923 CZ ARG A 74 0.125 -7.338 -24.788 1.00 0.00 C ATOM 924 NH1 ARG A 74 -0.194 -6.040 -24.872 1.00 0.00 N ATOM 925 NH2 ARG A 74 -0.652 -8.258 -25.376 1.00 0.00 N ATOM 0 H ARG A 74 3.065 -9.476 -19.384 1.00 0.00 H new ATOM 0 HA ARG A 74 3.712 -6.952 -20.317 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.348 -9.304 -21.506 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.731 -8.690 -21.786 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.043 -6.862 -22.418 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.756 -8.210 -23.501 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.599 -6.202 -22.688 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.550 -6.069 -24.155 1.00 0.00 H new ATOM 0 HE ARG A 74 1.436 -8.713 -24.075 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.398 -5.339 -24.426 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.029 -5.752 -25.382 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.408 -9.247 -25.314 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.487 -7.970 -25.886 1.00 0.00 H new ATOM 939 N ASP A 75 0.558 -7.348 -19.537 1.00 0.00 N ATOM 940 CA ASP A 75 -0.704 -6.659 -19.330 1.00 0.00 C ATOM 941 C ASP A 75 -0.550 -5.656 -18.185 1.00 0.00 C ATOM 942 O ASP A 75 -1.211 -4.618 -18.171 1.00 0.00 O ATOM 943 CB ASP A 75 -1.813 -7.642 -18.951 1.00 0.00 C ATOM 944 CG ASP A 75 -3.099 -6.997 -18.432 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.561 -7.299 -17.321 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.641 -6.140 -19.229 1.00 0.00 O ATOM 0 H ASP A 75 0.585 -8.305 -19.184 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.970 -6.156 -20.260 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.055 -8.248 -19.824 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.431 -8.321 -18.188 1.00 0.00 H new ATOM 952 N ALA A 76 0.325 -6.001 -17.252 1.00 0.00 N ATOM 953 CA ALA A 76 0.574 -5.143 -16.105 1.00 0.00 C ATOM 954 C ALA A 76 1.226 -3.843 -16.579 1.00 0.00 C ATOM 955 O ALA A 76 0.812 -2.755 -16.180 1.00 0.00 O ATOM 956 CB ALA A 76 1.436 -5.891 -15.086 1.00 0.00 C ATOM 0 H ALA A 76 0.871 -6.863 -17.266 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.361 -4.881 -15.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.623 -5.248 -14.226 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.915 -6.791 -14.760 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.385 -6.167 -15.545 1.00 0.00 H new ATOM 962 N ILE A 77 2.236 -3.997 -17.422 1.00 0.00 N ATOM 963 CA ILE A 77 2.950 -2.849 -17.954 1.00 0.00 C ATOM 964 C ILE A 77 2.119 -2.209 -19.068 1.00 0.00 C ATOM 965 O ILE A 77 2.130 -0.990 -19.233 1.00 0.00 O ATOM 966 CB ILE A 77 4.360 -3.250 -18.391 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.017 -4.164 -17.354 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.214 -2.015 -18.689 1.00 0.00 C ATOM 969 CD1 ILE A 77 6.239 -4.872 -17.943 1.00 0.00 C ATOM 0 H ILE A 77 2.577 -4.900 -17.750 1.00 0.00 H new ATOM 0 HA ILE A 77 3.085 -2.092 -17.181 1.00 0.00 H new ATOM 0 HB ILE A 77 4.281 -3.819 -19.318 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.316 -3.578 -16.485 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.296 -4.904 -17.007 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.211 -2.328 -18.997 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.751 -1.437 -19.489 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.288 -1.399 -17.793 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.687 -5.515 -17.186 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.933 -5.476 -18.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.969 -4.130 -18.267 1.00 0.00 H new ATOM 981 N LYS A 78 1.419 -3.060 -19.803 1.00 0.00 N ATOM 982 CA LYS A 78 0.584 -2.592 -20.897 1.00 0.00 C ATOM 983 C LYS A 78 -0.609 -1.822 -20.329 1.00 0.00 C ATOM 984 O LYS A 78 -1.111 -0.894 -20.961 1.00 0.00 O ATOM 985 CB LYS A 78 0.188 -3.758 -21.805 1.00 0.00 C ATOM 986 CG LYS A 78 -0.726 -3.286 -22.937 1.00 0.00 C ATOM 987 CD LYS A 78 0.091 -2.841 -24.152 1.00 0.00 C ATOM 988 CE LYS A 78 0.270 -1.321 -24.165 1.00 0.00 C ATOM 989 NZ LYS A 78 -0.909 -0.666 -24.774 1.00 0.00 N ATOM 0 H LYS A 78 1.412 -4.070 -19.663 1.00 0.00 H new ATOM 0 HA LYS A 78 1.138 -1.899 -21.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.083 -4.218 -22.224 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.319 -4.524 -21.219 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.401 -4.092 -23.224 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.346 -2.460 -22.588 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.067 -3.326 -24.136 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.408 -3.160 -25.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.411 -0.957 -23.147 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.168 -1.059 -24.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.771 0.365 -24.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.026 -1.001 -25.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.760 -0.901 -24.224 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.029 -2.235 -19.142 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.154 -1.595 -18.482 1.00 0.00 C ATOM 1005 C ASP A 79 -1.708 -0.245 -17.918 1.00 0.00 C ATOM 1006 O ASP A 79 -2.360 0.773 -18.147 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.667 -2.447 -17.319 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.502 -1.691 -16.283 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.641 -2.130 -15.131 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.030 -0.593 -16.705 1.00 0.00 O ATOM 0 H ASP A 79 -0.610 -3.005 -18.620 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.950 -1.470 -19.216 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.267 -3.262 -17.723 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.813 -2.899 -16.815 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.601 -0.279 -17.192 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.060 0.930 -16.594 1.00 0.00 C ATOM 1018 C ALA A 80 0.261 1.940 -17.697 1.00 0.00 C ATOM 1019 O ALA A 80 -0.134 3.102 -17.613 1.00 0.00 O ATOM 1020 CB ALA A 80 1.167 0.578 -15.751 1.00 0.00 C ATOM 0 H ALA A 80 -0.063 -1.125 -17.004 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.791 1.389 -15.929 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.573 1.485 -15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.880 -0.119 -14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.924 0.117 -16.385 1.00 0.00 H new ATOM 1026 N TYR A 81 0.973 1.460 -18.706 1.00 0.00 N ATOM 1027 CA TYR A 81 1.351 2.307 -19.824 1.00 0.00 C ATOM 1028 C TYR A 81 0.114 2.857 -20.539 1.00 0.00 C ATOM 1029 O TYR A 81 0.070 4.033 -20.894 1.00 0.00 O ATOM 1030 CB TYR A 81 2.126 1.409 -20.791 1.00 0.00 C ATOM 1031 CG TYR A 81 3.596 1.214 -20.416 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.946 0.960 -19.105 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.572 1.292 -21.388 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.330 0.776 -18.752 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.956 1.109 -21.035 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.267 0.860 -19.735 1.00 0.00 C ATOM 1037 OH TYR A 81 7.574 0.687 -19.401 1.00 0.00 O ATOM 0 H TYR A 81 1.298 0.495 -18.772 1.00 0.00 H new ATOM 0 HA TYR A 81 1.940 3.157 -19.479 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.640 0.434 -20.834 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.071 1.837 -21.792 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.182 0.899 -18.344 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.298 1.490 -22.414 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.618 0.576 -17.730 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.730 1.168 -21.786 1.00 0.00 H new ATOM 0 HH TYR A 81 8.080 1.495 -19.629 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.860 1.979 -20.727 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.094 2.361 -21.392 1.00 0.00 C ATOM 1049 C GLU A 82 -2.927 3.268 -20.484 1.00 0.00 C ATOM 1050 O GLU A 82 -3.747 4.049 -20.964 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.893 1.128 -21.817 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.203 1.530 -22.497 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.135 0.326 -22.648 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.783 -0.648 -23.329 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -6.261 0.427 -22.027 1.00 0.00 O ATOM 0 H GLU A 82 -0.820 1.004 -20.430 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.840 2.917 -22.295 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.297 0.521 -22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.107 0.511 -20.945 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.697 2.306 -21.912 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.992 1.956 -23.478 1.00 0.00 H new ATOM 1063 N SER A 83 -2.689 3.134 -19.187 1.00 0.00 N ATOM 1064 CA SER A 83 -3.407 3.931 -18.208 1.00 0.00 C ATOM 1065 C SER A 83 -2.783 5.324 -18.108 1.00 0.00 C ATOM 1066 O SER A 83 -3.490 6.314 -17.928 1.00 0.00 O ATOM 1067 CB SER A 83 -3.409 3.251 -16.838 1.00 0.00 C ATOM 1068 OG SER A 83 -4.185 2.056 -16.836 1.00 0.00 O ATOM 0 H SER A 83 -2.009 2.485 -18.792 1.00 0.00 H new ATOM 0 HA SER A 83 -4.442 4.026 -18.538 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.385 3.018 -16.547 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.803 3.941 -16.092 1.00 0.00 H new ATOM 0 HG SER A 83 -3.601 1.287 -17.003 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.464 5.357 -18.229 1.00 0.00 N ATOM 1075 CA TYR A 84 -0.736 6.612 -18.154 1.00 0.00 C ATOM 1076 C TYR A 84 -0.329 7.094 -19.548 1.00 0.00 C ATOM 1077 O TYR A 84 0.350 8.110 -19.684 1.00 0.00 O ATOM 1078 CB TYR A 84 0.526 6.320 -17.340 1.00 0.00 C ATOM 1079 CG TYR A 84 0.288 6.238 -15.831 1.00 0.00 C ATOM 1080 CD1 TYR A 84 0.050 7.388 -15.107 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.313 5.013 -15.195 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.174 7.310 -13.686 1.00 0.00 C ATOM 1083 CE2 TYR A 84 0.089 4.936 -13.774 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.143 6.088 -13.090 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.355 6.015 -11.749 1.00 0.00 O ATOM 0 H TYR A 84 -0.880 4.534 -18.379 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.354 7.388 -17.702 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.956 5.378 -17.681 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.263 7.098 -17.540 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.032 8.346 -15.605 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.500 4.113 -15.762 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.362 8.202 -13.107 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.105 3.984 -13.263 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.305 5.080 -11.460 1.00 0.00 H new ATOM 1095 N CYS A 85 -0.762 6.341 -20.549 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.452 6.678 -21.928 1.00 0.00 C ATOM 1097 C CYS A 85 -1.260 7.919 -22.313 1.00 0.00 C ATOM 1098 O CYS A 85 -2.411 8.066 -21.903 1.00 0.00 O ATOM 1099 CB CYS A 85 -0.723 5.505 -22.872 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.154 6.129 -24.538 1.00 0.00 S ATOM 0 H CYS A 85 -1.325 5.499 -20.432 1.00 0.00 H new ATOM 0 HA CYS A 85 0.612 6.895 -22.021 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.157 4.864 -22.931 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.537 4.894 -22.482 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.380 5.125 -25.332 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.627 8.780 -23.096 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.273 10.003 -23.540 1.00 0.00 C ATOM 1108 C GLY A 86 -0.679 11.224 -22.834 1.00 0.00 C ATOM 1109 O GLY A 86 -1.030 12.360 -23.151 1.00 0.00 O ATOM 0 H GLY A 86 0.327 8.655 -23.434 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.156 10.109 -24.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.343 9.947 -23.339 1.00 0.00 H new ATOM 1113 N ILE A 87 0.209 10.949 -21.891 1.00 0.00 N ATOM 1114 CA ILE A 87 0.854 12.011 -21.138 1.00 0.00 C ATOM 1115 C ILE A 87 2.372 11.836 -21.215 1.00 0.00 C ATOM 1116 O ILE A 87 2.934 10.962 -20.557 1.00 0.00 O ATOM 1117 CB ILE A 87 0.313 12.058 -19.707 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.218 10.653 -19.110 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.026 12.796 -19.652 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -0.060 10.713 -17.607 1.00 0.00 C ATOM 0 H ILE A 87 0.497 10.006 -21.631 1.00 0.00 H new ATOM 0 HA ILE A 87 0.622 12.982 -21.575 1.00 0.00 H new ATOM 0 HB ILE A 87 1.017 12.621 -19.094 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.575 10.095 -19.608 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.148 10.114 -19.290 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.389 12.815 -18.624 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.894 13.817 -20.009 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.751 12.282 -20.283 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.123 9.701 -17.208 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.747 11.250 -17.109 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.003 11.231 -17.432 1.00 0.00 H new ATOM 1132 N ASP A 88 2.992 12.681 -22.026 1.00 0.00 N ATOM 1133 CA ASP A 88 4.434 12.631 -22.198 1.00 0.00 C ATOM 1134 C ASP A 88 5.037 13.985 -21.817 1.00 0.00 C ATOM 1135 O ASP A 88 6.252 14.165 -21.872 1.00 0.00 O ATOM 1136 CB ASP A 88 4.805 12.340 -23.654 1.00 0.00 C ATOM 1137 CG ASP A 88 4.621 13.517 -24.615 1.00 0.00 C ATOM 1138 OD1 ASP A 88 5.562 14.279 -24.879 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.435 13.637 -25.108 1.00 0.00 O ATOM 0 H ASP A 88 2.522 13.404 -22.571 1.00 0.00 H new ATOM 0 HA ASP A 88 4.822 11.836 -21.561 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.846 12.019 -23.691 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.201 11.504 -24.007 1.00 0.00 H new ATOM 1145 N ASP A 89 4.158 14.902 -21.440 1.00 0.00 N ATOM 1146 CA ASP A 89 4.588 16.234 -21.050 1.00 0.00 C ATOM 1147 C ASP A 89 3.996 16.576 -19.682 1.00 0.00 C ATOM 1148 O ASP A 89 2.838 16.266 -19.407 1.00 0.00 O ATOM 1149 CB ASP A 89 4.103 17.284 -22.051 1.00 0.00 C ATOM 1150 CG ASP A 89 4.738 17.195 -23.440 1.00 0.00 C ATOM 1151 OD1 ASP A 89 4.139 16.657 -24.383 1.00 0.00 O ATOM 1152 OD2 ASP A 89 5.915 17.714 -23.536 1.00 0.00 O ATOM 0 H ASP A 89 3.151 14.749 -21.396 1.00 0.00 H new ATOM 0 HA ASP A 89 5.678 16.241 -21.019 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.022 17.192 -22.156 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.301 18.274 -21.640 1.00 0.00 H new