USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 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 18 LYS NZ :NH3+ 157:sc= -3.89! (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= -4.44! C(o=-8.3!,f=-15!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0475) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0772 (180deg=-0.684) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0048 (180deg=-0.279) USER MOD Single : A 5 THR OG1 : rot -84:sc= -0.633! USER MOD Single : A 14 SER OG : rot -43:sc= 0.0937 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= -9.23! (180deg=-9.46!) USER MOD Single : A 32 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.9!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc=-0.00253 K(o=-0.0025,f=-1.9!) USER MOD Single : A 37 SER OG : rot -81:sc= 0.98 USER MOD Single : A 38 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.8!) USER MOD Single : A 44 GLN : amide:sc= -2.38 K(o=-2.4,f=-6.1!) USER MOD Single : A 47 MET CE :methyl -152:sc= -2.43! (180deg=-4.52!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 153:sc= -0.166 (180deg=-1.25) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -21:sc= 0.142 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -140:sc= -1.06 USER MOD Single : A 68 ASN : amide:sc= -4.9! C(o=-4.9!,f=-16!) USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.857 USER MOD Single : A 76 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-3.7!) USER MOD Single : A 86 HIS : no HD1:sc= -3.39! K(o=-3.4!,f=-2.6) USER MOD Single : A 87 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.42) USER MOD Single : A 88 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-1.3) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 90 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.504 -12.842 13.430 1.00 0.00 N ATOM 2 CA MET A 1 -8.811 -11.701 14.091 1.00 0.00 C ATOM 3 C MET A 1 -7.312 -11.975 14.133 1.00 0.00 C ATOM 4 O MET A 1 -6.518 -11.228 13.560 1.00 0.00 O ATOM 5 CB MET A 1 -9.353 -11.535 15.514 1.00 0.00 C ATOM 6 CG MET A 1 -10.804 -11.058 15.451 1.00 0.00 C ATOM 7 SD MET A 1 -11.429 -10.782 17.130 1.00 0.00 S ATOM 8 CE MET A 1 -11.519 -12.514 17.655 1.00 0.00 C ATOM 0 H1 MET A 1 -10.465 -12.553 13.156 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.973 -13.127 12.582 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.559 -13.644 14.090 1.00 0.00 H new ATOM 0 HA MET A 1 -8.991 -10.784 13.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.293 -12.482 16.051 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.746 -10.817 16.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.869 -10.137 14.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.419 -11.799 14.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.237 -12.610 18.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.837 -13.132 16.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.537 -12.842 17.996 1.00 0.00 H new ATOM 20 N GLY A 2 -6.932 -13.048 14.817 1.00 0.00 N ATOM 21 CA GLY A 2 -5.524 -13.411 14.928 1.00 0.00 C ATOM 22 C GLY A 2 -5.341 -14.560 15.913 1.00 0.00 C ATOM 23 O GLY A 2 -6.316 -15.096 16.441 1.00 0.00 O ATOM 0 H GLY A 2 -7.573 -13.678 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.139 -13.699 13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.945 -12.548 15.257 1.00 0.00 H new ATOM 27 N VAL A 3 -4.086 -14.934 16.158 1.00 0.00 N ATOM 28 CA VAL A 3 -3.780 -16.027 17.085 1.00 0.00 C ATOM 29 C VAL A 3 -2.604 -15.649 17.983 1.00 0.00 C ATOM 30 O VAL A 3 -1.655 -15.000 17.541 1.00 0.00 O ATOM 31 CB VAL A 3 -3.448 -17.302 16.299 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.365 -17.002 15.260 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.954 -18.390 17.258 1.00 0.00 C ATOM 0 H VAL A 3 -3.267 -14.500 15.731 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.654 -16.209 17.711 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.347 -17.652 15.792 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.132 -17.910 14.704 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.723 -16.237 14.571 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.467 -16.645 15.764 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.720 -19.293 16.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.059 -18.042 17.773 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.731 -18.610 17.990 1.00 0.00 H new ATOM 43 N TRP A 4 -2.681 -16.059 19.247 1.00 0.00 N ATOM 44 CA TRP A 4 -1.624 -15.763 20.210 1.00 0.00 C ATOM 45 C TRP A 4 -0.531 -16.821 20.134 1.00 0.00 C ATOM 46 O TRP A 4 -0.812 -18.015 20.033 1.00 0.00 O ATOM 47 CB TRP A 4 -2.211 -15.718 21.619 1.00 0.00 C ATOM 48 CG TRP A 4 -3.400 -14.816 21.623 1.00 0.00 C ATOM 49 CD1 TRP A 4 -4.686 -15.227 21.658 1.00 0.00 C ATOM 50 CD2 TRP A 4 -3.435 -13.360 21.584 1.00 0.00 C ATOM 51 NE1 TRP A 4 -5.511 -14.116 21.649 1.00 0.00 N ATOM 52 CE2 TRP A 4 -4.786 -12.943 21.604 1.00 0.00 C ATOM 53 CE3 TRP A 4 -2.435 -12.371 21.537 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -5.134 -11.591 21.576 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -2.783 -11.010 21.509 1.00 0.00 C ATOM 56 CH2 TRP A 4 -4.129 -10.622 21.529 1.00 0.00 C ATOM 0 H TRP A 4 -3.461 -16.595 19.627 1.00 0.00 H new ATOM 0 HA TRP A 4 -1.187 -14.793 19.972 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.498 -16.720 21.939 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.464 -15.359 22.327 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.017 -16.255 21.688 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -6.530 -14.159 21.673 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.394 -12.660 21.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.173 -11.297 21.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -2.008 -10.259 21.472 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.390 -9.574 21.508 1.00 0.00 H new ATOM 67 N THR A 5 0.715 -16.366 20.170 1.00 0.00 N ATOM 68 CA THR A 5 1.870 -17.257 20.092 1.00 0.00 C ATOM 69 C THR A 5 3.164 -16.437 20.063 1.00 0.00 C ATOM 70 O THR A 5 4.117 -16.746 20.777 1.00 0.00 O ATOM 71 CB THR A 5 1.791 -18.148 18.816 1.00 0.00 C ATOM 72 OG1 THR A 5 0.588 -17.883 18.111 1.00 0.00 O ATOM 73 CG2 THR A 5 1.835 -19.628 19.193 1.00 0.00 C ATOM 0 H THR A 5 0.954 -15.378 20.253 1.00 0.00 H new ATOM 0 HA THR A 5 1.866 -17.900 20.972 1.00 0.00 H new ATOM 0 HB THR A 5 2.646 -17.914 18.182 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.142 -18.408 18.500 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.779 -20.235 18.290 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.766 -19.842 19.717 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.991 -19.863 19.842 1.00 0.00 H new ATOM 81 N PRO A 6 3.214 -15.412 19.247 1.00 0.00 N ATOM 82 CA PRO A 6 4.425 -14.550 19.114 1.00 0.00 C ATOM 83 C PRO A 6 4.963 -14.108 20.468 1.00 0.00 C ATOM 84 O PRO A 6 4.438 -14.498 21.510 1.00 0.00 O ATOM 85 CB PRO A 6 3.928 -13.356 18.289 1.00 0.00 C ATOM 86 CG PRO A 6 2.819 -13.916 17.462 1.00 0.00 C ATOM 87 CD PRO A 6 2.129 -14.949 18.352 1.00 0.00 C ATOM 0 HA PRO A 6 5.258 -15.073 18.645 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.577 -12.548 18.930 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.722 -12.946 17.665 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.124 -13.134 17.156 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.202 -14.376 16.551 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.305 -14.509 18.914 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.713 -15.769 17.767 1.00 0.00 H new ATOM 95 N GLU A 7 6.023 -13.305 20.447 1.00 0.00 N ATOM 96 CA GLU A 7 6.628 -12.821 21.684 1.00 0.00 C ATOM 97 C GLU A 7 5.548 -12.439 22.692 1.00 0.00 C ATOM 98 O GLU A 7 5.797 -12.384 23.895 1.00 0.00 O ATOM 99 CB GLU A 7 7.508 -11.606 21.394 1.00 0.00 C ATOM 100 CG GLU A 7 8.210 -11.165 22.679 1.00 0.00 C ATOM 101 CD GLU A 7 9.175 -10.023 22.384 1.00 0.00 C ATOM 102 OE1 GLU A 7 9.090 -9.467 21.302 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.984 -9.722 23.246 1.00 0.00 O ATOM 0 H GLU A 7 6.478 -12.978 19.595 1.00 0.00 H new ATOM 0 HA GLU A 7 7.239 -13.619 22.105 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.246 -11.852 20.630 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.902 -10.790 21.000 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.472 -10.846 23.415 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.751 -12.005 23.114 1.00 0.00 H new ATOM 110 N VAL A 8 4.343 -12.194 22.189 1.00 0.00 N ATOM 111 CA VAL A 8 3.233 -11.834 23.055 1.00 0.00 C ATOM 112 C VAL A 8 2.997 -12.940 24.071 1.00 0.00 C ATOM 113 O VAL A 8 2.768 -12.675 25.250 1.00 0.00 O ATOM 114 CB VAL A 8 1.962 -11.620 22.226 1.00 0.00 C ATOM 115 CG1 VAL A 8 1.605 -12.908 21.479 1.00 0.00 C ATOM 116 CG2 VAL A 8 0.806 -11.240 23.155 1.00 0.00 C ATOM 0 H VAL A 8 4.114 -12.238 21.196 1.00 0.00 H new ATOM 0 HA VAL A 8 3.478 -10.908 23.575 1.00 0.00 H new ATOM 0 HB VAL A 8 2.135 -10.820 21.506 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.701 -12.749 20.892 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.425 -13.183 20.816 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.435 -13.710 22.197 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.099 -11.087 22.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.640 -12.041 23.875 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.053 -10.320 23.686 1.00 0.00 H new ATOM 126 N LEU A 9 3.046 -14.185 23.612 1.00 0.00 N ATOM 127 CA LEU A 9 2.830 -15.312 24.506 1.00 0.00 C ATOM 128 C LEU A 9 3.932 -15.352 25.563 1.00 0.00 C ATOM 129 O LEU A 9 3.662 -15.480 26.755 1.00 0.00 O ATOM 130 CB LEU A 9 2.828 -16.620 23.693 1.00 0.00 C ATOM 131 CG LEU A 9 1.943 -17.682 24.375 1.00 0.00 C ATOM 132 CD1 LEU A 9 2.391 -17.879 25.830 1.00 0.00 C ATOM 133 CD2 LEU A 9 0.455 -17.250 24.330 1.00 0.00 C ATOM 0 H LEU A 9 3.231 -14.436 22.641 1.00 0.00 H new ATOM 0 HA LEU A 9 1.867 -15.200 25.005 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.462 -16.427 22.685 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.847 -16.996 23.596 1.00 0.00 H new ATOM 0 HG LEU A 9 2.049 -18.625 23.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.761 -18.631 26.306 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.429 -18.210 25.849 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.301 -16.936 26.369 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.159 -18.009 24.815 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.336 -16.300 24.851 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.140 -17.137 23.293 1.00 0.00 H new ATOM 145 N LYS A 10 5.175 -15.231 25.112 1.00 0.00 N ATOM 146 CA LYS A 10 6.308 -15.249 26.024 1.00 0.00 C ATOM 147 C LYS A 10 6.249 -14.051 26.957 1.00 0.00 C ATOM 148 O LYS A 10 6.726 -14.110 28.090 1.00 0.00 O ATOM 149 CB LYS A 10 7.619 -15.252 25.238 1.00 0.00 C ATOM 150 CG LYS A 10 8.799 -15.458 26.197 1.00 0.00 C ATOM 151 CD LYS A 10 10.054 -15.786 25.389 1.00 0.00 C ATOM 152 CE LYS A 10 10.290 -14.708 24.327 1.00 0.00 C ATOM 153 NZ LYS A 10 11.703 -14.776 23.863 1.00 0.00 N ATOM 0 H LYS A 10 5.421 -15.120 24.128 1.00 0.00 H new ATOM 0 HA LYS A 10 6.263 -16.158 26.624 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.604 -16.045 24.490 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.734 -14.310 24.702 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.960 -14.559 26.792 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.579 -16.267 26.894 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.917 -15.850 26.052 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.945 -16.760 24.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.612 -14.855 23.486 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.078 -13.722 24.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.867 -14.045 23.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.341 -14.617 24.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.889 -15.714 23.454 1.00 0.00 H new ATOM 167 N ALA A 11 5.654 -12.964 26.477 1.00 0.00 N ATOM 168 CA ALA A 11 5.532 -11.756 27.285 1.00 0.00 C ATOM 169 C ALA A 11 5.105 -12.114 28.707 1.00 0.00 C ATOM 170 O ALA A 11 5.709 -11.664 29.680 1.00 0.00 O ATOM 171 CB ALA A 11 4.502 -10.811 26.663 1.00 0.00 C ATOM 0 H ALA A 11 5.252 -12.894 25.542 1.00 0.00 H new ATOM 0 HA ALA A 11 6.502 -11.259 27.318 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.418 -9.912 27.273 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.820 -10.538 25.657 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.534 -11.309 26.615 1.00 0.00 H new ATOM 177 N ARG A 12 4.070 -12.940 28.816 1.00 0.00 N ATOM 178 CA ARG A 12 3.580 -13.368 30.120 1.00 0.00 C ATOM 179 C ARG A 12 4.631 -14.233 30.808 1.00 0.00 C ATOM 180 O ARG A 12 4.829 -14.150 32.020 1.00 0.00 O ATOM 181 CB ARG A 12 2.280 -14.163 29.946 1.00 0.00 C ATOM 182 CG ARG A 12 1.165 -13.250 29.407 1.00 0.00 C ATOM 183 CD ARG A 12 0.521 -12.451 30.546 1.00 0.00 C ATOM 184 NE ARG A 12 -0.573 -11.636 30.024 1.00 0.00 N ATOM 185 CZ ARG A 12 -0.369 -10.396 29.586 1.00 0.00 C ATOM 186 NH1 ARG A 12 0.835 -9.889 29.587 1.00 0.00 N ATOM 187 NH2 ARG A 12 -1.372 -9.690 29.142 1.00 0.00 N ATOM 0 H ARG A 12 3.557 -13.324 28.022 1.00 0.00 H new ATOM 0 HA ARG A 12 3.383 -12.491 30.737 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.443 -14.994 29.260 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.978 -14.593 30.901 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.575 -12.567 28.663 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.407 -13.851 28.904 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.147 -13.130 31.312 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.266 -11.813 31.022 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.515 -12.026 29.995 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.622 -10.444 29.924 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.988 -8.938 29.251 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.311 -10.089 29.131 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.217 -8.739 28.806 1.00 0.00 H new ATOM 201 N ALA A 13 5.307 -15.057 30.015 1.00 0.00 N ATOM 202 CA ALA A 13 6.350 -15.933 30.530 1.00 0.00 C ATOM 203 C ALA A 13 7.634 -15.142 30.752 1.00 0.00 C ATOM 204 O ALA A 13 8.649 -15.688 31.183 1.00 0.00 O ATOM 205 CB ALA A 13 6.611 -17.084 29.557 1.00 0.00 C ATOM 0 H ALA A 13 5.150 -15.136 29.010 1.00 0.00 H new ATOM 0 HA ALA A 13 6.016 -16.348 31.481 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.393 -17.729 29.958 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.697 -17.662 29.424 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.929 -16.682 28.595 1.00 0.00 H new ATOM 211 N SER A 14 7.581 -13.850 30.439 1.00 0.00 N ATOM 212 CA SER A 14 8.745 -12.987 30.591 1.00 0.00 C ATOM 213 C SER A 14 9.116 -12.862 32.064 1.00 0.00 C ATOM 214 O SER A 14 10.182 -12.350 32.404 1.00 0.00 O ATOM 215 CB SER A 14 8.440 -11.598 30.027 1.00 0.00 C ATOM 216 OG SER A 14 9.647 -10.857 29.919 1.00 0.00 O ATOM 0 H SER A 14 6.749 -13.381 30.081 1.00 0.00 H new ATOM 0 HA SER A 14 9.580 -13.427 30.045 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.966 -11.686 29.049 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.737 -11.076 30.676 1.00 0.00 H new ATOM 0 HG SER A 14 10.185 -10.989 30.727 1.00 0.00 H new ATOM 222 N VAL A 15 8.232 -13.341 32.931 1.00 0.00 N ATOM 223 CA VAL A 15 8.479 -13.286 34.366 1.00 0.00 C ATOM 224 C VAL A 15 9.741 -14.073 34.713 1.00 0.00 C ATOM 225 O VAL A 15 10.583 -13.606 35.480 1.00 0.00 O ATOM 226 CB VAL A 15 7.286 -13.873 35.122 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.604 -13.942 36.618 1.00 0.00 C ATOM 228 CG2 VAL A 15 6.058 -12.987 34.903 1.00 0.00 C ATOM 0 H VAL A 15 7.344 -13.769 32.668 1.00 0.00 H new ATOM 0 HA VAL A 15 8.616 -12.245 34.659 1.00 0.00 H new ATOM 0 HB VAL A 15 7.083 -14.877 34.750 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.751 -14.361 37.152 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.477 -14.575 36.776 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.810 -12.939 36.993 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.207 -13.405 35.441 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.264 -11.982 35.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.827 -12.942 33.839 1.00 0.00 H new ATOM 238 N ILE A 16 9.864 -15.271 34.141 1.00 0.00 N ATOM 239 CA ILE A 16 11.027 -16.129 34.389 1.00 0.00 C ATOM 240 C ILE A 16 11.683 -16.523 33.070 1.00 0.00 C ATOM 241 O ILE A 16 11.030 -17.052 32.172 1.00 0.00 O ATOM 242 CB ILE A 16 10.590 -17.386 35.147 1.00 0.00 C ATOM 243 CG1 ILE A 16 11.824 -18.217 35.513 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.646 -18.223 34.274 1.00 0.00 C ATOM 245 CD1 ILE A 16 11.435 -19.290 36.531 1.00 0.00 C ATOM 0 H ILE A 16 9.175 -15.670 33.504 1.00 0.00 H new ATOM 0 HA ILE A 16 11.750 -15.578 34.990 1.00 0.00 H new ATOM 0 HB ILE A 16 10.066 -17.092 36.056 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.240 -18.683 34.619 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.600 -17.573 35.927 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.340 -19.115 34.821 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.765 -17.633 34.021 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.161 -18.517 33.359 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.313 -19.881 36.791 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.040 -18.814 37.428 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.674 -19.941 36.101 1.00 0.00 H new ATOM 257 N GLY A 17 12.979 -16.256 32.960 1.00 0.00 N ATOM 258 CA GLY A 17 13.712 -16.584 31.744 1.00 0.00 C ATOM 259 C GLY A 17 13.871 -18.092 31.599 1.00 0.00 C ATOM 260 O GLY A 17 13.936 -18.819 32.589 1.00 0.00 O ATOM 0 H GLY A 17 13.539 -15.817 33.691 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.185 -16.184 30.877 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.694 -16.111 31.767 1.00 0.00 H new ATOM 264 N LYS A 18 13.930 -18.551 30.356 1.00 0.00 N ATOM 265 CA LYS A 18 14.079 -19.973 30.082 1.00 0.00 C ATOM 266 C LYS A 18 14.311 -20.204 28.591 1.00 0.00 C ATOM 267 O LYS A 18 13.586 -20.967 27.952 1.00 0.00 O ATOM 268 CB LYS A 18 12.822 -20.724 30.532 1.00 0.00 C ATOM 269 CG LYS A 18 13.124 -22.220 30.628 1.00 0.00 C ATOM 270 CD LYS A 18 11.842 -22.980 30.971 1.00 0.00 C ATOM 271 CE LYS A 18 12.126 -24.483 30.973 1.00 0.00 C ATOM 272 NZ LYS A 18 10.893 -25.219 31.365 1.00 0.00 N ATOM 0 H LYS A 18 13.877 -17.962 29.525 1.00 0.00 H new ATOM 0 HA LYS A 18 14.940 -20.348 30.635 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.488 -20.348 31.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.010 -20.551 29.825 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.531 -22.581 29.683 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.881 -22.400 31.391 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.471 -22.668 31.947 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.063 -22.747 30.245 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.455 -24.803 29.984 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.935 -24.710 31.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.942 -26.194 31.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.813 -25.235 32.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.061 -24.743 30.961 1.00 0.00 H new ATOM 286 N PRO A 19 15.302 -19.557 28.032 1.00 0.00 N ATOM 287 CA PRO A 19 15.635 -19.688 26.582 1.00 0.00 C ATOM 288 C PRO A 19 16.120 -21.095 26.234 1.00 0.00 C ATOM 289 O PRO A 19 17.090 -21.589 26.807 1.00 0.00 O ATOM 290 CB PRO A 19 16.738 -18.639 26.361 1.00 0.00 C ATOM 291 CG PRO A 19 17.343 -18.427 27.711 1.00 0.00 C ATOM 292 CD PRO A 19 16.213 -18.629 28.720 1.00 0.00 C ATOM 0 HA PRO A 19 14.768 -19.527 25.941 1.00 0.00 H new ATOM 0 HB2 PRO A 19 17.481 -18.992 25.646 1.00 0.00 H new ATOM 0 HB3 PRO A 19 16.327 -17.712 25.962 1.00 0.00 H new ATOM 0 HG2 PRO A 19 18.155 -19.132 27.889 1.00 0.00 H new ATOM 0 HG3 PRO A 19 17.766 -17.426 27.795 1.00 0.00 H new ATOM 0 HD2 PRO A 19 16.581 -19.048 29.657 1.00 0.00 H new ATOM 0 HD3 PRO A 19 15.719 -17.688 28.964 1.00 0.00 H new ATOM 300 N ILE A 20 15.434 -21.730 25.287 1.00 0.00 N ATOM 301 CA ILE A 20 15.794 -23.080 24.859 1.00 0.00 C ATOM 302 C ILE A 20 16.850 -23.018 23.757 1.00 0.00 C ATOM 303 O ILE A 20 17.144 -21.945 23.228 1.00 0.00 O ATOM 304 CB ILE A 20 14.545 -23.828 24.360 1.00 0.00 C ATOM 305 CG1 ILE A 20 14.848 -25.334 24.263 1.00 0.00 C ATOM 306 CG2 ILE A 20 14.134 -23.294 22.979 1.00 0.00 C ATOM 307 CD1 ILE A 20 13.541 -26.119 24.116 1.00 0.00 C ATOM 0 H ILE A 20 14.629 -21.334 24.803 1.00 0.00 H new ATOM 0 HA ILE A 20 16.208 -23.621 25.710 1.00 0.00 H new ATOM 0 HB ILE A 20 13.728 -23.668 25.063 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.498 -25.529 23.410 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.383 -25.665 25.153 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.249 -23.827 22.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.911 -22.230 23.052 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.950 -23.446 22.273 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.762 -27.184 24.048 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.906 -25.935 24.983 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.023 -25.797 23.212 1.00 0.00 H new ATOM 319 N GLY A 21 17.420 -24.170 23.420 1.00 0.00 N ATOM 320 CA GLY A 21 18.443 -24.227 22.383 1.00 0.00 C ATOM 321 C GLY A 21 18.027 -23.402 21.172 1.00 0.00 C ATOM 322 O GLY A 21 16.838 -23.240 20.898 1.00 0.00 O ATOM 0 H GLY A 21 17.194 -25.069 23.845 1.00 0.00 H new ATOM 0 HA2 GLY A 21 19.388 -23.854 22.777 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.609 -25.262 22.085 1.00 0.00 H new ATOM 326 N GLU A 22 19.013 -22.869 20.461 1.00 0.00 N ATOM 327 CA GLU A 22 18.740 -22.044 19.292 1.00 0.00 C ATOM 328 C GLU A 22 17.979 -22.832 18.231 1.00 0.00 C ATOM 329 O GLU A 22 17.017 -22.333 17.647 1.00 0.00 O ATOM 330 CB GLU A 22 20.055 -21.535 18.698 1.00 0.00 C ATOM 331 CG GLU A 22 20.710 -20.554 19.672 1.00 0.00 C ATOM 332 CD GLU A 22 22.055 -20.094 19.121 1.00 0.00 C ATOM 333 OE1 GLU A 22 22.419 -20.548 18.048 1.00 0.00 O ATOM 334 OE2 GLU A 22 22.701 -19.294 19.778 1.00 0.00 O ATOM 0 H GLU A 22 20.003 -22.992 20.672 1.00 0.00 H new ATOM 0 HA GLU A 22 18.125 -21.201 19.608 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.726 -22.372 18.502 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.869 -21.045 17.742 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.058 -19.694 19.829 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.849 -21.030 20.643 1.00 0.00 H new ATOM 341 N SER A 23 18.413 -24.062 17.983 1.00 0.00 N ATOM 342 CA SER A 23 17.757 -24.897 16.985 1.00 0.00 C ATOM 343 C SER A 23 16.298 -25.132 17.356 1.00 0.00 C ATOM 344 O SER A 23 15.403 -24.975 16.526 1.00 0.00 O ATOM 345 CB SER A 23 18.479 -26.237 16.885 1.00 0.00 C ATOM 346 OG SER A 23 17.658 -27.165 16.188 1.00 0.00 O ATOM 0 H SER A 23 19.206 -24.499 18.453 1.00 0.00 H new ATOM 0 HA SER A 23 17.795 -24.385 16.024 1.00 0.00 H new ATOM 0 HB2 SER A 23 19.429 -26.113 16.365 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.708 -26.614 17.882 1.00 0.00 H new ATOM 0 HG SER A 23 18.121 -28.026 16.122 1.00 0.00 H new ATOM 352 N TYR A 24 16.064 -25.499 18.610 1.00 0.00 N ATOM 353 CA TYR A 24 14.707 -25.740 19.083 1.00 0.00 C ATOM 354 C TYR A 24 13.935 -24.428 19.165 1.00 0.00 C ATOM 355 O TYR A 24 12.747 -24.378 18.853 1.00 0.00 O ATOM 356 CB TYR A 24 14.738 -26.411 20.454 1.00 0.00 C ATOM 357 CG TYR A 24 15.358 -27.782 20.330 1.00 0.00 C ATOM 358 CD1 TYR A 24 16.750 -27.925 20.364 1.00 0.00 C ATOM 359 CD2 TYR A 24 14.541 -28.911 20.180 1.00 0.00 C ATOM 360 CE1 TYR A 24 17.326 -29.196 20.248 1.00 0.00 C ATOM 361 CE2 TYR A 24 15.118 -30.181 20.063 1.00 0.00 C ATOM 362 CZ TYR A 24 16.510 -30.324 20.097 1.00 0.00 C ATOM 363 OH TYR A 24 17.079 -31.576 19.982 1.00 0.00 O ATOM 0 H TYR A 24 16.790 -25.635 19.313 1.00 0.00 H new ATOM 0 HA TYR A 24 14.205 -26.401 18.376 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.310 -25.804 21.155 1.00 0.00 H new ATOM 0 HB3 TYR A 24 13.727 -26.492 20.854 1.00 0.00 H new ATOM 0 HD1 TYR A 24 17.380 -27.055 20.480 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.467 -28.801 20.155 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.400 -29.306 20.275 1.00 0.00 H new ATOM 0 HE2 TYR A 24 14.489 -31.051 19.946 1.00 0.00 H new ATOM 0 HH TYR A 24 16.373 -32.249 19.885 1.00 0.00 H new ATOM 373 N LYS A 25 14.623 -23.369 19.584 1.00 0.00 N ATOM 374 CA LYS A 25 13.994 -22.058 19.704 1.00 0.00 C ATOM 375 C LYS A 25 13.410 -21.630 18.364 1.00 0.00 C ATOM 376 O LYS A 25 12.646 -20.669 18.279 1.00 0.00 O ATOM 377 CB LYS A 25 15.030 -21.029 20.181 1.00 0.00 C ATOM 378 CG LYS A 25 14.361 -19.663 20.366 1.00 0.00 C ATOM 379 CD LYS A 25 15.353 -18.678 20.987 1.00 0.00 C ATOM 380 CE LYS A 25 14.671 -17.321 21.182 1.00 0.00 C ATOM 381 NZ LYS A 25 13.777 -17.383 22.374 1.00 0.00 N ATOM 0 H LYS A 25 15.609 -23.393 19.844 1.00 0.00 H new ATOM 0 HA LYS A 25 13.186 -22.117 20.433 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.474 -21.356 21.121 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.840 -20.952 19.455 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.014 -19.285 19.404 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.484 -19.761 21.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.709 -19.059 21.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.225 -18.569 20.343 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.420 -16.541 21.316 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.095 -17.060 20.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.582 -16.419 22.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.883 -17.846 22.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.242 -17.927 23.129 1.00 0.00 H new ATOM 395 N ARG A 26 13.759 -22.362 17.316 1.00 0.00 N ATOM 396 CA ARG A 26 13.258 -22.050 15.990 1.00 0.00 C ATOM 397 C ARG A 26 11.739 -22.096 15.984 1.00 0.00 C ATOM 398 O ARG A 26 11.089 -21.352 15.248 1.00 0.00 O ATOM 399 CB ARG A 26 13.807 -23.055 14.978 1.00 0.00 C ATOM 400 CG ARG A 26 13.375 -22.653 13.562 1.00 0.00 C ATOM 401 CD ARG A 26 13.871 -23.694 12.559 1.00 0.00 C ATOM 402 NE ARG A 26 13.636 -23.231 11.194 1.00 0.00 N ATOM 403 CZ ARG A 26 12.487 -23.472 10.567 1.00 0.00 C ATOM 404 NH1 ARG A 26 11.539 -24.138 11.167 1.00 0.00 N ATOM 405 NH2 ARG A 26 12.308 -23.040 9.349 1.00 0.00 N ATOM 0 H ARG A 26 14.382 -23.169 17.359 1.00 0.00 H new ATOM 0 HA ARG A 26 13.586 -21.047 15.715 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.895 -23.091 15.040 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.441 -24.055 15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.289 -22.573 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.779 -21.672 13.313 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.935 -23.878 12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.357 -24.641 12.723 1.00 0.00 H new ATOM 0 HE ARG A 26 14.369 -22.711 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.677 -24.476 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.660 -24.321 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.048 -22.519 8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.428 -23.224 8.867 1.00 0.00 H new ATOM 419 N ILE A 27 11.176 -22.981 16.795 1.00 0.00 N ATOM 420 CA ILE A 27 9.731 -23.112 16.852 1.00 0.00 C ATOM 421 C ILE A 27 9.099 -21.815 17.334 1.00 0.00 C ATOM 422 O ILE A 27 8.138 -21.322 16.744 1.00 0.00 O ATOM 423 CB ILE A 27 9.348 -24.258 17.796 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.841 -24.529 17.695 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.699 -23.882 19.241 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.509 -25.880 18.342 1.00 0.00 C ATOM 0 H ILE A 27 11.690 -23.609 17.413 1.00 0.00 H new ATOM 0 HA ILE A 27 9.361 -23.331 15.850 1.00 0.00 H new ATOM 0 HB ILE A 27 9.900 -25.153 17.510 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.285 -23.733 18.190 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.532 -24.531 16.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.424 -24.700 19.907 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.770 -23.695 19.318 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.152 -22.983 19.526 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.438 -26.066 18.267 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.052 -26.673 17.828 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.801 -25.862 19.392 1.00 0.00 H new ATOM 438 N LEU A 28 9.652 -21.264 18.405 1.00 0.00 N ATOM 439 CA LEU A 28 9.147 -20.018 18.959 1.00 0.00 C ATOM 440 C LEU A 28 9.346 -18.873 17.969 1.00 0.00 C ATOM 441 O LEU A 28 8.457 -18.046 17.769 1.00 0.00 O ATOM 442 CB LEU A 28 9.877 -19.697 20.271 1.00 0.00 C ATOM 443 CG LEU A 28 9.076 -18.662 21.087 1.00 0.00 C ATOM 444 CD1 LEU A 28 8.010 -19.365 21.938 1.00 0.00 C ATOM 445 CD2 LEU A 28 10.026 -17.893 22.013 1.00 0.00 C ATOM 0 H LEU A 28 10.448 -21.659 18.906 1.00 0.00 H new ATOM 0 HA LEU A 28 8.081 -20.132 19.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.009 -20.608 20.855 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.873 -19.310 20.056 1.00 0.00 H new ATOM 0 HG LEU A 28 8.589 -17.973 20.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.452 -18.623 22.509 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.327 -19.911 21.287 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.493 -20.062 22.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.459 -17.162 22.589 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.515 -18.591 22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.780 -17.379 21.416 1.00 0.00 H new ATOM 457 N ALA A 29 10.526 -18.832 17.358 1.00 0.00 N ATOM 458 CA ALA A 29 10.844 -17.788 16.391 1.00 0.00 C ATOM 459 C ALA A 29 9.970 -17.927 15.153 1.00 0.00 C ATOM 460 O ALA A 29 9.591 -16.935 14.532 1.00 0.00 O ATOM 461 CB ALA A 29 12.320 -17.866 15.998 1.00 0.00 C ATOM 0 H ALA A 29 11.275 -19.507 17.515 1.00 0.00 H new ATOM 0 HA ALA A 29 10.649 -16.819 16.851 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.546 -17.082 15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.940 -17.733 16.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.527 -18.839 15.554 1.00 0.00 H new ATOM 467 N LYS A 30 9.656 -19.167 14.803 1.00 0.00 N ATOM 468 CA LYS A 30 8.826 -19.437 13.638 1.00 0.00 C ATOM 469 C LYS A 30 7.471 -18.761 13.778 1.00 0.00 C ATOM 470 O LYS A 30 6.886 -18.318 12.792 1.00 0.00 O ATOM 471 CB LYS A 30 8.633 -20.945 13.473 1.00 0.00 C ATOM 472 CG LYS A 30 7.700 -21.212 12.284 1.00 0.00 C ATOM 473 CD LYS A 30 7.753 -22.705 11.882 1.00 0.00 C ATOM 474 CE LYS A 30 8.720 -22.898 10.708 1.00 0.00 C ATOM 475 NZ LYS A 30 9.991 -22.178 10.993 1.00 0.00 N ATOM 0 H LYS A 30 9.962 -19.999 15.307 1.00 0.00 H new ATOM 0 HA LYS A 30 9.328 -19.037 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.595 -21.430 13.311 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.211 -21.371 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.679 -20.935 12.546 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.992 -20.590 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.074 -23.308 12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.757 -23.051 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.916 -23.959 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.273 -22.520 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.609 -22.221 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.784 -21.184 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.469 -22.625 11.801 1.00 0.00 H new ATOM 489 N LEU A 31 6.983 -18.679 15.008 1.00 0.00 N ATOM 490 CA LEU A 31 5.694 -18.052 15.264 1.00 0.00 C ATOM 491 C LEU A 31 5.598 -16.719 14.533 1.00 0.00 C ATOM 492 O LEU A 31 4.542 -16.363 14.010 1.00 0.00 O ATOM 493 CB LEU A 31 5.521 -17.826 16.765 1.00 0.00 C ATOM 494 CG LEU A 31 5.727 -19.145 17.521 1.00 0.00 C ATOM 495 CD1 LEU A 31 5.607 -18.890 19.026 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.669 -20.172 17.083 1.00 0.00 C ATOM 0 H LEU A 31 7.456 -19.036 15.838 1.00 0.00 H new ATOM 0 HA LEU A 31 4.905 -18.711 14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.237 -17.082 17.114 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.526 -17.432 16.969 1.00 0.00 H new ATOM 0 HG LEU A 31 6.718 -19.540 17.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.753 -19.825 19.566 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.365 -18.171 19.335 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.617 -18.492 19.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.822 -21.106 17.624 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.674 -19.785 17.302 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.760 -20.354 16.012 1.00 0.00 H new ATOM 508 N GLN A 32 6.703 -15.991 14.491 1.00 0.00 N ATOM 509 CA GLN A 32 6.723 -14.705 13.811 1.00 0.00 C ATOM 510 C GLN A 32 6.345 -14.889 12.342 1.00 0.00 C ATOM 511 O GLN A 32 5.589 -14.096 11.782 1.00 0.00 O ATOM 512 CB GLN A 32 8.117 -14.084 13.918 1.00 0.00 C ATOM 513 CG GLN A 32 8.093 -12.660 13.360 1.00 0.00 C ATOM 514 CD GLN A 32 7.240 -11.764 14.252 1.00 0.00 C ATOM 515 OE1 GLN A 32 7.047 -12.064 15.431 1.00 0.00 O ATOM 516 NE2 GLN A 32 6.713 -10.678 13.758 1.00 0.00 N ATOM 0 H GLN A 32 7.589 -16.265 14.915 1.00 0.00 H new ATOM 0 HA GLN A 32 6.000 -14.039 14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.441 -14.071 14.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.838 -14.688 13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.108 -12.267 13.300 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.693 -12.665 12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.874 -10.432 12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.140 -10.075 14.348 1.00 0.00 H new ATOM 525 N ARG A 33 6.874 -15.943 11.726 1.00 0.00 N ATOM 526 CA ARG A 33 6.578 -16.223 10.325 1.00 0.00 C ATOM 527 C ARG A 33 5.107 -16.589 10.160 1.00 0.00 C ATOM 528 O ARG A 33 4.456 -16.172 9.202 1.00 0.00 O ATOM 529 CB ARG A 33 7.457 -17.369 9.816 1.00 0.00 C ATOM 530 CG ARG A 33 7.205 -17.581 8.321 1.00 0.00 C ATOM 531 CD ARG A 33 8.096 -18.711 7.808 1.00 0.00 C ATOM 532 NE ARG A 33 9.501 -18.348 7.958 1.00 0.00 N ATOM 533 CZ ARG A 33 10.114 -17.581 7.062 1.00 0.00 C ATOM 534 NH1 ARG A 33 9.460 -17.143 6.020 1.00 0.00 N ATOM 535 NH2 ARG A 33 11.368 -17.265 7.225 1.00 0.00 N ATOM 0 H ARG A 33 7.504 -16.611 12.170 1.00 0.00 H new ATOM 0 HA ARG A 33 6.789 -15.327 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.508 -17.140 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.235 -18.283 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.156 -17.824 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.413 -16.662 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.888 -19.628 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.874 -18.913 6.760 1.00 0.00 H new ATOM 0 HE ARG A 33 10.023 -18.689 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.478 -17.389 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.931 -16.554 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.878 -17.606 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.839 -16.677 6.538 1.00 0.00 H new ATOM 549 N ILE A 34 4.594 -17.375 11.100 1.00 0.00 N ATOM 550 CA ILE A 34 3.200 -17.800 11.057 1.00 0.00 C ATOM 551 C ILE A 34 2.282 -16.586 11.089 1.00 0.00 C ATOM 552 O ILE A 34 1.241 -16.572 10.442 1.00 0.00 O ATOM 553 CB ILE A 34 2.885 -18.714 12.243 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.913 -19.852 12.311 1.00 0.00 C ATOM 555 CG2 ILE A 34 1.478 -19.299 12.089 1.00 0.00 C ATOM 556 CD1 ILE A 34 3.990 -20.597 10.972 1.00 0.00 C ATOM 0 H ILE A 34 5.120 -17.730 11.898 1.00 0.00 H new ATOM 0 HA ILE A 34 3.035 -18.351 10.131 1.00 0.00 H new ATOM 0 HB ILE A 34 2.933 -18.132 13.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.893 -19.448 12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.640 -20.548 13.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.259 -19.949 12.936 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.749 -18.489 12.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.423 -19.876 11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.725 -21.399 11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.014 -21.019 10.734 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.286 -19.903 10.186 1.00 0.00 H new ATOM 568 N HIS A 35 2.669 -15.570 11.848 1.00 0.00 N ATOM 569 CA HIS A 35 1.860 -14.365 11.943 1.00 0.00 C ATOM 570 C HIS A 35 1.659 -13.744 10.562 1.00 0.00 C ATOM 571 O HIS A 35 0.533 -13.447 10.163 1.00 0.00 O ATOM 572 CB HIS A 35 2.554 -13.357 12.858 1.00 0.00 C ATOM 573 CG HIS A 35 1.721 -12.111 12.961 1.00 0.00 C ATOM 574 ND1 HIS A 35 0.567 -12.053 13.725 1.00 0.00 N ATOM 575 CD2 HIS A 35 1.864 -10.864 12.404 1.00 0.00 C ATOM 576 CE1 HIS A 35 0.065 -10.810 13.609 1.00 0.00 C ATOM 577 NE2 HIS A 35 0.819 -10.045 12.815 1.00 0.00 N ATOM 0 H HIS A 35 3.527 -15.556 12.400 1.00 0.00 H new ATOM 0 HA HIS A 35 0.885 -14.629 12.354 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.702 -13.790 13.847 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.542 -13.115 12.466 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.667 -10.565 11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.837 -10.472 14.098 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.662 -9.069 12.564 1.00 0.00 H new ATOM 585 N ASN A 36 2.756 -13.554 9.833 1.00 0.00 N ATOM 586 CA ASN A 36 2.681 -12.972 8.494 1.00 0.00 C ATOM 587 C ASN A 36 1.974 -13.916 7.525 1.00 0.00 C ATOM 588 O ASN A 36 1.164 -13.489 6.702 1.00 0.00 O ATOM 589 CB ASN A 36 4.088 -12.670 7.979 1.00 0.00 C ATOM 590 CG ASN A 36 4.678 -11.492 8.746 1.00 0.00 C ATOM 591 OD1 ASN A 36 3.947 -10.750 9.400 1.00 0.00 O ATOM 592 ND2 ASN A 36 5.963 -11.274 8.701 1.00 0.00 N ATOM 0 H ASN A 36 3.699 -13.791 10.142 1.00 0.00 H new ATOM 0 HA ASN A 36 2.107 -12.048 8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.724 -13.547 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.054 -12.442 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.365 -10.486 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.566 -11.891 8.158 1.00 0.00 H new ATOM 599 N SER A 37 2.296 -15.203 7.630 1.00 0.00 N ATOM 600 CA SER A 37 1.710 -16.228 6.768 1.00 0.00 C ATOM 601 C SER A 37 0.545 -16.908 7.472 1.00 0.00 C ATOM 602 O SER A 37 0.177 -18.033 7.136 1.00 0.00 O ATOM 603 CB SER A 37 2.763 -17.268 6.386 1.00 0.00 C ATOM 604 OG SER A 37 3.275 -17.875 7.564 1.00 0.00 O ATOM 0 H SER A 37 2.966 -15.564 8.310 1.00 0.00 H new ATOM 0 HA SER A 37 1.344 -15.746 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.324 -18.024 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.570 -16.796 5.826 1.00 0.00 H new ATOM 0 HG SER A 37 3.956 -17.294 7.962 1.00 0.00 H new ATOM 610 N ASN A 38 -0.013 -16.242 8.474 1.00 0.00 N ATOM 611 CA ASN A 38 -1.119 -16.819 9.226 1.00 0.00 C ATOM 612 C ASN A 38 -2.224 -17.283 8.286 1.00 0.00 C ATOM 613 O ASN A 38 -2.830 -16.481 7.575 1.00 0.00 O ATOM 614 CB ASN A 38 -1.688 -15.775 10.188 1.00 0.00 C ATOM 615 CG ASN A 38 -2.678 -16.428 11.147 1.00 0.00 C ATOM 616 OD1 ASN A 38 -2.560 -17.616 11.449 1.00 0.00 O ATOM 617 ND2 ASN A 38 -3.654 -15.719 11.645 1.00 0.00 N ATOM 0 H ASN A 38 0.277 -15.314 8.782 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.744 -17.677 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.879 -15.309 10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.183 -14.983 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.321 -16.149 12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.750 -14.735 11.393 1.00 0.00 H new ATOM 624 N ILE A 39 -2.488 -18.582 8.307 1.00 0.00 N ATOM 625 CA ILE A 39 -3.528 -19.165 7.470 1.00 0.00 C ATOM 626 C ILE A 39 -3.254 -18.903 5.991 1.00 0.00 C ATOM 627 O ILE A 39 -4.065 -18.284 5.301 1.00 0.00 O ATOM 628 CB ILE A 39 -4.887 -18.583 7.849 1.00 0.00 C ATOM 629 CG1 ILE A 39 -5.044 -18.605 9.364 1.00 0.00 C ATOM 630 CG2 ILE A 39 -5.996 -19.430 7.224 1.00 0.00 C ATOM 631 CD1 ILE A 39 -6.387 -17.987 9.747 1.00 0.00 C ATOM 0 H ILE A 39 -1.995 -19.254 8.896 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.531 -20.242 7.635 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.954 -17.558 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.985 -19.630 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.230 -18.051 9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.967 -19.015 7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.889 -19.426 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.924 -20.453 7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.499 -18.003 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.428 -16.957 9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.194 -18.560 9.290 1.00 0.00 H new ATOM 643 N LEU A 40 -2.109 -19.382 5.502 1.00 0.00 N ATOM 644 CA LEU A 40 -1.738 -19.204 4.091 1.00 0.00 C ATOM 645 C LEU A 40 -1.672 -20.552 3.388 1.00 0.00 C ATOM 646 O LEU A 40 -0.989 -21.464 3.835 1.00 0.00 O ATOM 647 CB LEU A 40 -0.383 -18.479 3.983 1.00 0.00 C ATOM 648 CG LEU A 40 -0.608 -16.964 3.807 1.00 0.00 C ATOM 649 CD1 LEU A 40 -1.206 -16.663 2.411 1.00 0.00 C ATOM 650 CD2 LEU A 40 -1.550 -16.441 4.913 1.00 0.00 C ATOM 0 H LEU A 40 -1.423 -19.894 6.057 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.500 -18.595 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.211 -18.665 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.182 -18.872 3.138 1.00 0.00 H new ATOM 0 HG LEU A 40 0.353 -16.456 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.358 -15.589 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.520 -17.011 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.161 -17.177 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.705 -15.370 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.508 -16.957 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.103 -16.627 5.890 1.00 0.00 H new ATOM 662 N ASP A 41 -2.385 -20.664 2.280 1.00 0.00 N ATOM 663 CA ASP A 41 -2.403 -21.906 1.523 1.00 0.00 C ATOM 664 C ASP A 41 -0.997 -22.478 1.396 1.00 0.00 C ATOM 665 O ASP A 41 -0.821 -23.667 1.131 1.00 0.00 O ATOM 666 CB ASP A 41 -2.987 -21.653 0.135 1.00 0.00 C ATOM 667 CG ASP A 41 -2.171 -20.586 -0.587 1.00 0.00 C ATOM 668 OD1 ASP A 41 -1.107 -20.250 -0.093 1.00 0.00 O ATOM 669 OD2 ASP A 41 -2.622 -20.120 -1.620 1.00 0.00 O ATOM 0 H ASP A 41 -2.956 -19.916 1.886 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.024 -22.629 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.986 -22.577 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.025 -21.332 0.221 1.00 0.00 H new ATOM 674 N GLU A 42 0.004 -21.624 1.588 1.00 0.00 N ATOM 675 CA GLU A 42 1.393 -22.058 1.496 1.00 0.00 C ATOM 676 C GLU A 42 1.869 -22.658 2.820 1.00 0.00 C ATOM 677 O GLU A 42 2.312 -23.806 2.866 1.00 0.00 O ATOM 678 CB GLU A 42 2.278 -20.866 1.130 1.00 0.00 C ATOM 679 CG GLU A 42 3.721 -21.338 0.933 1.00 0.00 C ATOM 680 CD GLU A 42 4.600 -20.172 0.494 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.155 -19.042 0.611 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.706 -20.426 0.044 1.00 0.00 O ATOM 0 H GLU A 42 -0.119 -20.635 1.807 1.00 0.00 H new ATOM 0 HA GLU A 42 1.463 -22.825 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.911 -20.395 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.235 -20.113 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.103 -21.762 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.754 -22.130 0.185 1.00 0.00 H new ATOM 689 N ARG A 43 1.781 -21.870 3.889 1.00 0.00 N ATOM 690 CA ARG A 43 2.213 -22.323 5.213 1.00 0.00 C ATOM 691 C ARG A 43 1.148 -23.196 5.871 1.00 0.00 C ATOM 692 O ARG A 43 1.436 -23.942 6.807 1.00 0.00 O ATOM 693 CB ARG A 43 2.530 -21.103 6.103 1.00 0.00 C ATOM 694 CG ARG A 43 3.960 -20.600 5.823 1.00 0.00 C ATOM 695 CD ARG A 43 4.976 -21.407 6.643 1.00 0.00 C ATOM 696 NE ARG A 43 6.322 -20.904 6.397 1.00 0.00 N ATOM 697 CZ ARG A 43 7.076 -21.395 5.415 1.00 0.00 C ATOM 698 NH1 ARG A 43 6.609 -22.334 4.637 1.00 0.00 N ATOM 699 NH2 ARG A 43 8.280 -20.932 5.224 1.00 0.00 N ATOM 0 H ARG A 43 1.416 -20.918 3.867 1.00 0.00 H new ATOM 0 HA ARG A 43 3.113 -22.926 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.812 -20.306 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.431 -21.374 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.184 -20.692 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.037 -19.542 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.739 -21.335 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.918 -22.462 6.375 1.00 0.00 H new ATOM 0 HE ARG A 43 6.694 -20.161 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.665 -22.693 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.188 -22.709 3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.644 -20.194 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.858 -21.308 4.472 1.00 0.00 H new ATOM 713 N GLN A 44 -0.077 -23.101 5.375 1.00 0.00 N ATOM 714 CA GLN A 44 -1.176 -23.889 5.921 1.00 0.00 C ATOM 715 C GLN A 44 -0.742 -25.341 6.101 1.00 0.00 C ATOM 716 O GLN A 44 -1.145 -26.004 7.055 1.00 0.00 O ATOM 717 CB GLN A 44 -2.392 -23.807 4.977 1.00 0.00 C ATOM 718 CG GLN A 44 -3.283 -22.615 5.358 1.00 0.00 C ATOM 719 CD GLN A 44 -4.350 -22.405 4.289 1.00 0.00 C ATOM 720 OE1 GLN A 44 -4.439 -21.326 3.701 1.00 0.00 O ATOM 721 NE2 GLN A 44 -5.169 -23.379 3.999 1.00 0.00 N ATOM 0 H GLN A 44 -0.336 -22.490 4.600 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.455 -23.488 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.054 -23.702 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.967 -24.732 5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.754 -22.795 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.677 -21.715 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.093 -24.271 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.885 -23.248 3.284 1.00 0.00 H new ATOM 730 N GLY A 45 0.089 -25.825 5.188 1.00 0.00 N ATOM 731 CA GLY A 45 0.573 -27.191 5.272 1.00 0.00 C ATOM 732 C GLY A 45 1.481 -27.358 6.480 1.00 0.00 C ATOM 733 O GLY A 45 1.499 -28.411 7.118 1.00 0.00 O ATOM 0 H GLY A 45 0.438 -25.296 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.270 -27.878 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.116 -27.448 4.363 1.00 0.00 H new ATOM 737 N LEU A 46 2.244 -26.313 6.783 1.00 0.00 N ATOM 738 CA LEU A 46 3.162 -26.363 7.910 1.00 0.00 C ATOM 739 C LEU A 46 2.383 -26.546 9.210 1.00 0.00 C ATOM 740 O LEU A 46 2.768 -27.331 10.072 1.00 0.00 O ATOM 741 CB LEU A 46 4.004 -25.073 7.965 1.00 0.00 C ATOM 742 CG LEU A 46 5.327 -25.308 8.731 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.285 -24.143 8.458 1.00 0.00 C ATOM 744 CD2 LEU A 46 5.082 -25.415 10.250 1.00 0.00 C ATOM 0 H LEU A 46 2.244 -25.432 6.269 1.00 0.00 H new ATOM 0 HA LEU A 46 3.834 -27.212 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.221 -24.733 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.433 -24.282 8.452 1.00 0.00 H new ATOM 0 HG LEU A 46 5.760 -26.246 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.219 -24.306 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.489 -24.082 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.830 -23.211 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.031 -25.580 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.631 -24.491 10.612 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.411 -26.250 10.452 1.00 0.00 H new ATOM 756 N MET A 47 1.275 -25.821 9.338 1.00 0.00 N ATOM 757 CA MET A 47 0.452 -25.912 10.540 1.00 0.00 C ATOM 758 C MET A 47 0.261 -27.367 10.956 1.00 0.00 C ATOM 759 O MET A 47 0.287 -27.689 12.143 1.00 0.00 O ATOM 760 CB MET A 47 -0.915 -25.275 10.285 1.00 0.00 C ATOM 761 CG MET A 47 -0.760 -23.760 10.124 1.00 0.00 C ATOM 762 SD MET A 47 -2.389 -23.005 9.911 1.00 0.00 S ATOM 763 CE MET A 47 -1.804 -21.344 9.495 1.00 0.00 C ATOM 0 H MET A 47 0.929 -25.171 8.632 1.00 0.00 H new ATOM 0 HA MET A 47 0.962 -25.380 11.343 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.363 -25.701 9.387 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.589 -25.495 11.113 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.264 -23.340 10.999 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.129 -23.538 9.263 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.551 -20.609 9.796 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.868 -21.146 10.018 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.640 -21.275 8.420 1.00 0.00 H new ATOM 773 N HIS A 48 0.069 -28.241 9.976 1.00 0.00 N ATOM 774 CA HIS A 48 -0.122 -29.658 10.264 1.00 0.00 C ATOM 775 C HIS A 48 1.093 -30.222 10.996 1.00 0.00 C ATOM 776 O HIS A 48 0.956 -30.900 12.013 1.00 0.00 O ATOM 777 CB HIS A 48 -0.335 -30.426 8.960 1.00 0.00 C ATOM 778 CG HIS A 48 -0.536 -31.884 9.263 1.00 0.00 C ATOM 779 ND1 HIS A 48 -1.750 -32.388 9.702 1.00 0.00 N ATOM 780 CD2 HIS A 48 0.315 -32.959 9.200 1.00 0.00 C ATOM 781 CE1 HIS A 48 -1.597 -33.713 9.882 1.00 0.00 C ATOM 782 NE2 HIS A 48 -0.358 -34.113 9.591 1.00 0.00 N ATOM 0 H HIS A 48 0.041 -27.998 8.986 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.000 -29.769 10.901 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.202 -30.031 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.526 -30.295 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.350 -32.916 8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.382 -34.373 10.221 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.016 -35.061 9.644 1.00 0.00 H new ATOM 790 N GLU A 49 2.280 -29.929 10.476 1.00 0.00 N ATOM 791 CA GLU A 49 3.513 -30.402 11.094 1.00 0.00 C ATOM 792 C GLU A 49 3.762 -29.660 12.402 1.00 0.00 C ATOM 793 O GLU A 49 4.318 -30.211 13.352 1.00 0.00 O ATOM 794 CB GLU A 49 4.690 -30.192 10.144 1.00 0.00 C ATOM 795 CG GLU A 49 4.528 -31.113 8.936 1.00 0.00 C ATOM 796 CD GLU A 49 5.624 -30.836 7.916 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.446 -29.973 8.177 1.00 0.00 O ATOM 798 OE2 GLU A 49 5.626 -31.489 6.886 1.00 0.00 O ATOM 0 H GLU A 49 2.414 -29.370 9.634 1.00 0.00 H new ATOM 0 HA GLU A 49 3.414 -31.467 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.731 -29.152 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.629 -30.404 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.572 -32.154 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.550 -30.960 8.481 1.00 0.00 H new ATOM 805 N LEU A 50 3.352 -28.400 12.436 1.00 0.00 N ATOM 806 CA LEU A 50 3.528 -27.578 13.626 1.00 0.00 C ATOM 807 C LEU A 50 2.724 -28.136 14.795 1.00 0.00 C ATOM 808 O LEU A 50 3.175 -28.111 15.939 1.00 0.00 O ATOM 809 CB LEU A 50 3.085 -26.134 13.345 1.00 0.00 C ATOM 810 CG LEU A 50 3.684 -25.180 14.397 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.173 -24.903 14.110 1.00 0.00 C ATOM 812 CD2 LEU A 50 2.907 -23.858 14.380 1.00 0.00 C ATOM 0 H LEU A 50 2.897 -27.925 11.656 1.00 0.00 H new ATOM 0 HA LEU A 50 4.586 -27.589 13.889 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.406 -25.835 12.347 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.997 -26.070 13.362 1.00 0.00 H new ATOM 0 HG LEU A 50 3.605 -25.651 15.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.570 -24.227 14.868 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.729 -25.841 14.133 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.275 -24.445 13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.327 -23.180 15.123 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.981 -23.405 13.391 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.860 -24.049 14.614 1.00 0.00 H new ATOM 824 N MET A 51 1.519 -28.613 14.503 1.00 0.00 N ATOM 825 CA MET A 51 0.647 -29.143 15.541 1.00 0.00 C ATOM 826 C MET A 51 1.316 -30.301 16.272 1.00 0.00 C ATOM 827 O MET A 51 1.379 -30.317 17.502 1.00 0.00 O ATOM 828 CB MET A 51 -0.657 -29.627 14.906 1.00 0.00 C ATOM 829 CG MET A 51 -1.609 -30.119 15.996 1.00 0.00 C ATOM 830 SD MET A 51 -3.181 -30.608 15.242 1.00 0.00 S ATOM 831 CE MET A 51 -2.559 -32.025 14.299 1.00 0.00 C ATOM 0 H MET A 51 1.127 -28.643 13.562 1.00 0.00 H new ATOM 0 HA MET A 51 0.441 -28.352 16.262 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.121 -28.817 14.343 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.452 -30.431 14.199 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.168 -30.964 16.526 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.775 -29.332 16.732 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.364 -32.745 14.151 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.193 -31.685 13.330 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.745 -32.499 14.848 1.00 0.00 H new ATOM 841 N GLU A 52 1.816 -31.263 15.510 1.00 0.00 N ATOM 842 CA GLU A 52 2.482 -32.417 16.097 1.00 0.00 C ATOM 843 C GLU A 52 3.824 -32.017 16.695 1.00 0.00 C ATOM 844 O GLU A 52 4.224 -32.523 17.743 1.00 0.00 O ATOM 845 CB GLU A 52 2.688 -33.497 15.033 1.00 0.00 C ATOM 846 CG GLU A 52 3.445 -32.908 13.844 1.00 0.00 C ATOM 847 CD GLU A 52 3.550 -33.939 12.726 1.00 0.00 C ATOM 848 OE1 GLU A 52 2.565 -34.611 12.474 1.00 0.00 O ATOM 849 OE2 GLU A 52 4.614 -34.039 12.137 1.00 0.00 O ATOM 0 H GLU A 52 1.774 -31.268 14.491 1.00 0.00 H new ATOM 0 HA GLU A 52 1.851 -32.811 16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.246 -34.334 15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.724 -33.888 14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.931 -32.018 13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.442 -32.596 14.156 1.00 0.00 H new ATOM 856 N LEU A 53 4.520 -31.113 16.015 1.00 0.00 N ATOM 857 CA LEU A 53 5.821 -30.663 16.485 1.00 0.00 C ATOM 858 C LEU A 53 5.690 -29.952 17.829 1.00 0.00 C ATOM 859 O LEU A 53 6.509 -30.150 18.726 1.00 0.00 O ATOM 860 CB LEU A 53 6.452 -29.711 15.461 1.00 0.00 C ATOM 861 CG LEU A 53 7.882 -29.340 15.888 1.00 0.00 C ATOM 862 CD1 LEU A 53 8.790 -30.583 15.860 1.00 0.00 C ATOM 863 CD2 LEU A 53 8.431 -28.276 14.930 1.00 0.00 C ATOM 0 H LEU A 53 4.208 -30.682 15.145 1.00 0.00 H new ATOM 0 HA LEU A 53 6.461 -31.537 16.609 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.469 -30.182 14.478 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.846 -28.809 15.371 1.00 0.00 H new ATOM 0 HG LEU A 53 7.862 -28.948 16.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.799 -30.304 16.165 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.399 -31.335 16.546 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.816 -30.992 14.850 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.445 -28.008 15.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.443 -28.672 13.915 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.796 -27.391 14.967 1.00 0.00 H new ATOM 875 N ILE A 54 4.663 -29.120 17.957 1.00 0.00 N ATOM 876 CA ILE A 54 4.444 -28.381 19.193 1.00 0.00 C ATOM 877 C ILE A 54 4.182 -29.335 20.354 1.00 0.00 C ATOM 878 O ILE A 54 4.699 -29.148 21.453 1.00 0.00 O ATOM 879 CB ILE A 54 3.257 -27.425 19.029 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.653 -26.273 18.075 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.847 -26.864 20.396 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.293 -25.110 18.851 1.00 0.00 C ATOM 0 H ILE A 54 3.974 -28.941 17.226 1.00 0.00 H new ATOM 0 HA ILE A 54 5.343 -27.806 19.413 1.00 0.00 H new ATOM 0 HB ILE A 54 2.410 -27.965 18.605 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.352 -26.642 17.324 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.771 -25.918 17.542 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.003 -26.185 20.273 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.560 -27.684 21.055 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.686 -26.323 20.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.562 -24.314 18.157 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.583 -24.728 19.584 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.188 -25.463 19.363 1.00 0.00 H new ATOM 894 N ASP A 55 3.366 -30.349 20.106 1.00 0.00 N ATOM 895 CA ASP A 55 3.034 -31.308 21.139 1.00 0.00 C ATOM 896 C ASP A 55 4.283 -32.029 21.610 1.00 0.00 C ATOM 897 O ASP A 55 4.528 -32.145 22.808 1.00 0.00 O ATOM 898 CB ASP A 55 2.027 -32.319 20.594 1.00 0.00 C ATOM 899 CG ASP A 55 1.561 -33.248 21.708 1.00 0.00 C ATOM 900 OD1 ASP A 55 2.117 -33.165 22.789 1.00 0.00 O ATOM 901 OD2 ASP A 55 0.654 -34.027 21.465 1.00 0.00 O ATOM 0 H ASP A 55 2.926 -30.525 19.203 1.00 0.00 H new ATOM 0 HA ASP A 55 2.596 -30.779 21.985 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.172 -31.797 20.164 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.482 -32.900 19.792 1.00 0.00 H new ATOM 906 N LEU A 56 5.067 -32.517 20.661 1.00 0.00 N ATOM 907 CA LEU A 56 6.283 -33.234 20.998 1.00 0.00 C ATOM 908 C LEU A 56 7.283 -32.323 21.703 1.00 0.00 C ATOM 909 O LEU A 56 7.908 -32.717 22.688 1.00 0.00 O ATOM 910 CB LEU A 56 6.916 -33.808 19.730 1.00 0.00 C ATOM 911 CG LEU A 56 6.034 -34.934 19.168 1.00 0.00 C ATOM 912 CD1 LEU A 56 6.487 -35.259 17.742 1.00 0.00 C ATOM 913 CD2 LEU A 56 6.141 -36.201 20.043 1.00 0.00 C ATOM 0 H LEU A 56 4.884 -32.430 19.661 1.00 0.00 H new ATOM 0 HA LEU A 56 6.020 -34.045 21.677 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.035 -33.022 18.985 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.912 -34.191 19.952 1.00 0.00 H new ATOM 0 HG LEU A 56 4.996 -34.602 19.167 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.866 -36.057 17.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.390 -34.371 17.118 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.528 -35.581 17.755 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.509 -36.985 19.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.176 -36.542 20.064 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.814 -35.971 21.057 1.00 0.00 H new ATOM 925 N TYR A 57 7.435 -31.109 21.189 1.00 0.00 N ATOM 926 CA TYR A 57 8.366 -30.151 21.772 1.00 0.00 C ATOM 927 C TYR A 57 7.886 -29.707 23.148 1.00 0.00 C ATOM 928 O TYR A 57 8.665 -29.646 24.100 1.00 0.00 O ATOM 929 CB TYR A 57 8.505 -28.931 20.841 1.00 0.00 C ATOM 930 CG TYR A 57 9.592 -29.175 19.814 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.734 -30.435 19.216 1.00 0.00 C ATOM 932 CD2 TYR A 57 10.467 -28.138 19.470 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.748 -30.653 18.278 1.00 0.00 C ATOM 934 CE2 TYR A 57 11.478 -28.357 18.529 1.00 0.00 C ATOM 935 CZ TYR A 57 11.619 -29.616 17.934 1.00 0.00 C ATOM 936 OH TYR A 57 12.620 -29.834 17.010 1.00 0.00 O ATOM 0 H TYR A 57 6.928 -30.765 20.373 1.00 0.00 H new ATOM 0 HA TYR A 57 9.338 -30.630 21.886 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.557 -28.738 20.339 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.741 -28.043 21.427 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.060 -31.237 19.480 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.361 -27.168 19.932 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.858 -31.624 17.819 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.150 -27.555 18.261 1.00 0.00 H new ATOM 0 HH TYR A 57 13.135 -29.010 16.885 1.00 0.00 H new ATOM 946 N GLU A 58 6.604 -29.390 23.245 1.00 0.00 N ATOM 947 CA GLU A 58 6.045 -28.949 24.510 1.00 0.00 C ATOM 948 C GLU A 58 5.918 -30.115 25.478 1.00 0.00 C ATOM 949 O GLU A 58 6.469 -30.068 26.564 1.00 0.00 O ATOM 950 CB GLU A 58 4.672 -28.311 24.288 1.00 0.00 C ATOM 951 CG GLU A 58 4.826 -27.006 23.502 1.00 0.00 C ATOM 952 CD GLU A 58 5.578 -25.972 24.334 1.00 0.00 C ATOM 953 OE1 GLU A 58 5.614 -26.127 25.544 1.00 0.00 O ATOM 954 OE2 GLU A 58 6.111 -25.042 23.750 1.00 0.00 O ATOM 0 H GLU A 58 5.939 -29.429 22.472 1.00 0.00 H new ATOM 0 HA GLU A 58 6.720 -28.209 24.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.025 -28.999 23.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.193 -28.114 25.247 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.363 -27.195 22.572 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.844 -26.619 23.230 1.00 0.00 H new ATOM 961 N GLU A 59 5.196 -31.156 25.077 1.00 0.00 N ATOM 962 CA GLU A 59 4.995 -32.325 25.935 1.00 0.00 C ATOM 963 C GLU A 59 6.291 -32.730 26.641 1.00 0.00 C ATOM 964 O GLU A 59 6.269 -33.483 27.612 1.00 0.00 O ATOM 965 CB GLU A 59 4.460 -33.497 25.116 1.00 0.00 C ATOM 966 CG GLU A 59 4.218 -34.688 26.041 1.00 0.00 C ATOM 967 CD GLU A 59 3.383 -35.743 25.325 1.00 0.00 C ATOM 968 OE1 GLU A 59 3.944 -36.479 24.531 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.190 -35.796 25.579 1.00 0.00 O ATOM 0 H GLU A 59 4.740 -31.217 24.167 1.00 0.00 H new ATOM 0 HA GLU A 59 4.264 -32.055 26.698 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.533 -33.214 24.617 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.172 -33.766 24.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.171 -35.116 26.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.706 -34.359 26.945 1.00 0.00 H new ATOM 976 N SER A 60 7.408 -32.214 26.157 1.00 0.00 N ATOM 977 CA SER A 60 8.704 -32.506 26.750 1.00 0.00 C ATOM 978 C SER A 60 8.874 -31.833 28.128 1.00 0.00 C ATOM 979 O SER A 60 9.794 -32.173 28.871 1.00 0.00 O ATOM 980 CB SER A 60 9.810 -32.023 25.812 1.00 0.00 C ATOM 981 OG SER A 60 11.071 -32.445 26.313 1.00 0.00 O ATOM 0 H SER A 60 7.444 -31.588 25.352 1.00 0.00 H new ATOM 0 HA SER A 60 8.769 -33.584 26.895 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.652 -32.422 24.810 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.784 -30.936 25.730 1.00 0.00 H new ATOM 0 HG SER A 60 10.995 -32.636 27.271 1.00 0.00 H new ATOM 987 N GLN A 61 8.009 -30.853 28.456 1.00 0.00 N ATOM 988 CA GLN A 61 8.114 -30.122 29.742 1.00 0.00 C ATOM 989 C GLN A 61 7.023 -30.544 30.743 1.00 0.00 C ATOM 990 O GLN A 61 7.322 -30.804 31.909 1.00 0.00 O ATOM 991 CB GLN A 61 8.027 -28.595 29.487 1.00 0.00 C ATOM 992 CG GLN A 61 9.241 -27.864 30.052 1.00 0.00 C ATOM 993 CD GLN A 61 9.056 -26.375 29.819 1.00 0.00 C ATOM 994 OE1 GLN A 61 8.451 -25.688 30.642 1.00 0.00 O ATOM 995 NE2 GLN A 61 9.521 -25.838 28.729 1.00 0.00 N ATOM 0 H GLN A 61 7.239 -30.550 27.860 1.00 0.00 H new ATOM 0 HA GLN A 61 9.079 -30.373 30.182 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.954 -28.407 28.416 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.119 -28.200 29.942 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.346 -28.071 31.117 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.153 -28.213 29.568 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.022 -26.412 28.051 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.385 -24.843 28.553 1.00 0.00 H new ATOM 1004 N PRO A 62 5.790 -30.645 30.315 1.00 0.00 N ATOM 1005 CA PRO A 62 4.666 -31.061 31.183 1.00 0.00 C ATOM 1006 C PRO A 62 4.290 -32.529 30.977 1.00 0.00 C ATOM 1007 O PRO A 62 3.374 -32.867 30.227 1.00 0.00 O ATOM 1008 CB PRO A 62 3.536 -30.155 30.678 1.00 0.00 C ATOM 1009 CG PRO A 62 3.852 -29.885 29.226 1.00 0.00 C ATOM 1010 CD PRO A 62 5.314 -30.313 28.987 1.00 0.00 C ATOM 0 HA PRO A 62 4.892 -30.972 32.246 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.566 -30.641 30.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.492 -29.228 31.249 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.177 -30.442 28.576 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.718 -28.828 28.994 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.377 -31.167 28.313 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.900 -29.510 28.540 1.00 0.00 H new ATOM 1018 N SER A 63 5.014 -33.383 31.698 1.00 0.00 N ATOM 1019 CA SER A 63 4.787 -34.820 31.667 1.00 0.00 C ATOM 1020 C SER A 63 3.710 -35.189 32.685 1.00 0.00 C ATOM 1021 O SER A 63 3.223 -36.319 32.711 1.00 0.00 O ATOM 1022 CB SER A 63 6.086 -35.560 32.006 1.00 0.00 C ATOM 1023 OG SER A 63 6.424 -35.322 33.367 1.00 0.00 O ATOM 0 H SER A 63 5.772 -33.096 32.317 1.00 0.00 H new ATOM 0 HA SER A 63 4.459 -35.109 30.668 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.965 -36.629 31.832 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.892 -35.220 31.355 1.00 0.00 H new ATOM 0 HG SER A 63 7.253 -35.796 33.586 1.00 0.00 H new ATOM 1029 N SER A 64 3.352 -34.219 33.527 1.00 0.00 N ATOM 1030 CA SER A 64 2.335 -34.432 34.557 1.00 0.00 C ATOM 1031 C SER A 64 0.936 -34.242 33.980 1.00 0.00 C ATOM 1032 O SER A 64 0.020 -33.836 34.692 1.00 0.00 O ATOM 1033 CB SER A 64 2.541 -33.467 35.729 1.00 0.00 C ATOM 1034 OG SER A 64 2.776 -32.161 35.226 1.00 0.00 O ATOM 0 H SER A 64 3.750 -33.280 33.516 1.00 0.00 H new ATOM 0 HA SER A 64 2.435 -35.456 34.918 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.663 -33.468 36.374 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.384 -33.792 36.338 1.00 0.00 H new ATOM 0 HG SER A 64 3.472 -31.725 35.760 1.00 0.00 H new ATOM 1040 N GLU A 65 0.795 -34.516 32.685 1.00 0.00 N ATOM 1041 CA GLU A 65 -0.488 -34.368 32.001 1.00 0.00 C ATOM 1042 C GLU A 65 -0.934 -32.907 32.017 1.00 0.00 C ATOM 1043 O GLU A 65 -2.109 -32.603 31.813 1.00 0.00 O ATOM 1044 CB GLU A 65 -1.557 -35.243 32.666 1.00 0.00 C ATOM 1045 CG GLU A 65 -1.204 -36.720 32.478 1.00 0.00 C ATOM 1046 CD GLU A 65 -2.193 -37.593 33.244 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -3.130 -37.044 33.798 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -1.993 -38.796 33.271 1.00 0.00 O ATOM 0 H GLU A 65 1.554 -34.842 32.087 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.362 -34.690 30.967 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.624 -35.008 33.728 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.534 -35.034 32.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.225 -36.976 31.419 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.190 -36.908 32.831 1.00 0.00 H new ATOM 1055 N ARG A 66 0.018 -32.009 32.260 1.00 0.00 N ATOM 1056 CA ARG A 66 -0.275 -30.577 32.296 1.00 0.00 C ATOM 1057 C ARG A 66 -0.310 -29.994 30.887 1.00 0.00 C ATOM 1058 O ARG A 66 -0.814 -28.894 30.669 1.00 0.00 O ATOM 1059 CB ARG A 66 0.773 -29.849 33.135 1.00 0.00 C ATOM 1060 CG ARG A 66 0.571 -30.193 34.607 1.00 0.00 C ATOM 1061 CD ARG A 66 1.642 -29.493 35.440 1.00 0.00 C ATOM 1062 NE ARG A 66 1.456 -29.800 36.852 1.00 0.00 N ATOM 1063 CZ ARG A 66 2.337 -29.404 37.762 1.00 0.00 C ATOM 1064 NH1 ARG A 66 3.405 -28.749 37.396 1.00 0.00 N ATOM 1065 NH2 ARG A 66 2.137 -29.675 39.023 1.00 0.00 N ATOM 0 H ARG A 66 0.995 -32.245 32.434 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.257 -30.440 32.750 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.775 -30.138 32.817 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.690 -28.772 32.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.421 -29.881 34.933 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.629 -31.272 34.752 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.632 -29.814 35.117 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.589 -28.416 35.284 1.00 0.00 H new ATOM 0 HE ARG A 66 0.635 -30.328 37.146 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.563 -28.541 36.410 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.082 -28.445 38.096 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.304 -30.191 39.308 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.813 -29.371 39.723 1.00 0.00 H new ATOM 1079 N LEU A 67 0.229 -30.744 29.932 1.00 0.00 N ATOM 1080 CA LEU A 67 0.256 -30.309 28.533 1.00 0.00 C ATOM 1081 C LEU A 67 -1.080 -29.661 28.160 1.00 0.00 C ATOM 1082 O LEU A 67 -1.162 -28.898 27.198 1.00 0.00 O ATOM 1083 CB LEU A 67 0.530 -31.518 27.600 1.00 0.00 C ATOM 1084 CG LEU A 67 0.085 -32.827 28.265 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -1.414 -32.761 28.598 1.00 0.00 C ATOM 1086 CD2 LEU A 67 0.355 -33.989 27.305 1.00 0.00 C ATOM 0 H LEU A 67 0.654 -31.656 30.097 1.00 0.00 H new ATOM 0 HA LEU A 67 1.056 -29.578 28.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.001 -31.384 26.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.593 -31.567 27.363 1.00 0.00 H new ATOM 0 HG LEU A 67 0.643 -32.977 29.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.723 -33.694 29.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.599 -31.931 29.279 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.984 -32.612 27.681 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.042 -34.924 27.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.205 -33.836 26.382 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.420 -34.035 27.080 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.115 -29.967 28.934 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.434 -29.408 28.681 1.00 0.00 C ATOM 1100 C ASN A 68 -3.333 -27.899 28.490 1.00 0.00 C ATOM 1101 O ASN A 68 -4.216 -27.277 27.899 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.369 -29.727 29.853 1.00 0.00 C ATOM 1103 CG ASN A 68 -3.795 -29.168 31.150 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -3.017 -28.216 31.126 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -4.136 -29.706 32.289 1.00 0.00 N ATOM 0 H ASN A 68 -2.066 -30.595 29.736 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.840 -29.852 27.772 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.355 -29.299 29.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.501 -30.806 29.940 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.757 -29.337 33.161 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.781 -30.496 32.307 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.247 -27.318 28.992 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.033 -25.880 28.863 1.00 0.00 C ATOM 1114 C ALA A 69 -1.683 -25.515 27.422 1.00 0.00 C ATOM 1115 O ALA A 69 -2.312 -24.644 26.821 1.00 0.00 O ATOM 1116 CB ALA A 69 -0.900 -25.438 29.791 1.00 0.00 C ATOM 0 H ALA A 69 -1.507 -27.816 29.488 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.954 -25.368 29.141 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.745 -24.364 29.690 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.163 -25.671 30.823 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.016 -25.963 29.522 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.683 -26.201 26.871 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.260 -25.957 25.496 1.00 0.00 C ATOM 1124 C PHE A 70 -1.374 -26.368 24.534 1.00 0.00 C ATOM 1125 O PHE A 70 -1.557 -25.759 23.479 1.00 0.00 O ATOM 1126 CB PHE A 70 1.049 -26.745 25.203 1.00 0.00 C ATOM 1127 CG PHE A 70 0.766 -27.916 24.284 1.00 0.00 C ATOM 1128 CD1 PHE A 70 0.615 -27.700 22.910 1.00 0.00 C ATOM 1129 CD2 PHE A 70 0.614 -29.201 24.810 1.00 0.00 C ATOM 1130 CE1 PHE A 70 0.310 -28.771 22.062 1.00 0.00 C ATOM 1131 CE2 PHE A 70 0.316 -30.275 23.960 1.00 0.00 C ATOM 1132 CZ PHE A 70 0.160 -30.058 22.586 1.00 0.00 C ATOM 0 H PHE A 70 -0.154 -26.927 27.354 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.060 -24.895 25.356 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.784 -26.084 24.744 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.482 -27.104 26.137 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.734 -26.707 22.503 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.726 -29.367 25.871 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.190 -28.603 21.002 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.207 -31.270 24.365 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.076 -30.884 21.932 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.103 -27.418 24.903 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.178 -27.917 24.059 1.00 0.00 C ATOM 1144 C ARG A 71 -4.040 -26.761 23.576 1.00 0.00 C ATOM 1145 O ARG A 71 -4.753 -26.874 22.578 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.035 -28.918 24.834 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.098 -29.509 23.908 1.00 0.00 C ATOM 1148 CD ARG A 71 -5.888 -30.581 24.660 1.00 0.00 C ATOM 1149 NE ARG A 71 -6.648 -29.977 25.752 1.00 0.00 N ATOM 1150 CZ ARG A 71 -7.855 -29.455 25.547 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -8.372 -29.462 24.349 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -8.519 -28.933 26.542 1.00 0.00 N ATOM 0 H ARG A 71 -1.969 -27.934 25.773 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.742 -28.420 23.196 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.408 -29.713 25.238 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.510 -28.425 25.682 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.769 -28.724 23.560 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.627 -29.941 23.025 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.565 -31.091 23.975 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.207 -31.335 25.055 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.246 -29.955 26.689 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.851 -29.867 23.571 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.297 -29.062 24.190 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.113 -28.925 27.478 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.444 -28.533 26.384 1.00 0.00 H new ATOM 1166 N GLU A 72 -3.945 -25.636 24.274 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.699 -24.457 23.889 1.00 0.00 C ATOM 1168 C GLU A 72 -4.206 -23.962 22.537 1.00 0.00 C ATOM 1169 O GLU A 72 -4.998 -23.615 21.663 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.522 -23.358 24.937 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.184 -23.793 26.244 1.00 0.00 C ATOM 1172 CD GLU A 72 -4.949 -22.741 27.322 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.327 -21.737 27.017 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -5.397 -22.954 28.437 1.00 0.00 O ATOM 0 H GLU A 72 -3.359 -25.518 25.101 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.756 -24.713 23.820 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.462 -23.163 25.100 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.966 -22.428 24.583 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.254 -23.935 26.090 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.778 -24.752 26.565 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.888 -23.947 22.366 1.00 0.00 N ATOM 1182 CA LEU A 73 -2.308 -23.512 21.105 1.00 0.00 C ATOM 1183 C LEU A 73 -2.714 -24.464 19.988 1.00 0.00 C ATOM 1184 O LEU A 73 -3.084 -24.037 18.898 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.779 -23.451 21.218 1.00 0.00 C ATOM 1186 CG LEU A 73 -0.161 -23.140 19.842 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.778 -21.861 19.261 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.353 -22.954 19.997 1.00 0.00 C ATOM 0 H LEU A 73 -2.211 -24.227 23.076 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.681 -22.515 20.872 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.490 -22.685 21.937 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.396 -24.400 21.592 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.364 -23.969 19.164 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.333 -21.652 18.288 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.854 -21.995 19.147 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.586 -21.026 19.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.794 -22.734 19.025 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.550 -22.128 20.680 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.793 -23.868 20.396 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.652 -25.756 20.275 1.00 0.00 N ATOM 1201 CA ARG A 74 -3.022 -26.766 19.294 1.00 0.00 C ATOM 1202 C ARG A 74 -4.460 -26.546 18.851 1.00 0.00 C ATOM 1203 O ARG A 74 -4.784 -26.682 17.673 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.844 -28.172 19.894 1.00 0.00 C ATOM 1205 CG ARG A 74 -3.710 -29.190 19.141 1.00 0.00 C ATOM 1206 CD ARG A 74 -3.239 -30.609 19.445 1.00 0.00 C ATOM 1207 NE ARG A 74 -1.960 -30.863 18.799 1.00 0.00 N ATOM 1208 CZ ARG A 74 -1.377 -32.049 18.891 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -1.957 -33.007 19.562 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -0.231 -32.260 18.306 1.00 0.00 N ATOM 0 H ARG A 74 -2.350 -26.129 21.175 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.373 -26.681 18.423 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.796 -28.467 19.840 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.119 -28.161 20.949 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.754 -29.076 19.432 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.655 -29.003 18.069 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.144 -30.746 20.522 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.980 -31.328 19.097 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.507 -30.119 18.269 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.856 -32.841 20.014 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.511 -33.921 19.635 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.217 -31.512 17.777 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.217 -33.173 18.377 1.00 0.00 H new ATOM 1224 N THR A 75 -5.312 -26.207 19.799 1.00 0.00 N ATOM 1225 CA THR A 75 -6.706 -25.968 19.488 1.00 0.00 C ATOM 1226 C THR A 75 -6.835 -24.854 18.458 1.00 0.00 C ATOM 1227 O THR A 75 -7.619 -24.955 17.515 1.00 0.00 O ATOM 1228 CB THR A 75 -7.459 -25.601 20.752 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.454 -26.703 21.646 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.893 -25.218 20.404 1.00 0.00 C ATOM 0 H THR A 75 -5.066 -26.092 20.782 1.00 0.00 H new ATOM 0 HA THR A 75 -7.135 -26.878 19.069 1.00 0.00 H new ATOM 0 HB THR A 75 -6.971 -24.751 21.230 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.552 -26.826 22.008 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.431 -24.955 21.315 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.887 -24.364 19.727 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.388 -26.061 19.921 1.00 0.00 H new ATOM 1238 N GLN A 76 -6.058 -23.794 18.637 1.00 0.00 N ATOM 1239 CA GLN A 76 -6.098 -22.674 17.708 1.00 0.00 C ATOM 1240 C GLN A 76 -5.739 -23.137 16.300 1.00 0.00 C ATOM 1241 O GLN A 76 -6.480 -22.898 15.348 1.00 0.00 O ATOM 1242 CB GLN A 76 -5.107 -21.600 18.156 1.00 0.00 C ATOM 1243 CG GLN A 76 -5.533 -21.048 19.517 1.00 0.00 C ATOM 1244 CD GLN A 76 -6.843 -20.283 19.380 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -7.919 -20.878 19.431 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -6.816 -18.991 19.199 1.00 0.00 N ATOM 0 H GLN A 76 -5.399 -23.687 19.408 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.108 -22.264 17.699 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.103 -22.020 18.220 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.069 -20.796 17.421 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.652 -21.865 20.229 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.758 -20.391 19.911 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.923 -18.500 19.157 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.688 -18.472 19.099 1.00 0.00 H new ATOM 1255 N LEU A 77 -4.602 -23.814 16.180 1.00 0.00 N ATOM 1256 CA LEU A 77 -4.161 -24.323 14.888 1.00 0.00 C ATOM 1257 C LEU A 77 -5.142 -25.369 14.378 1.00 0.00 C ATOM 1258 O LEU A 77 -5.443 -25.424 13.187 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.754 -24.930 15.014 1.00 0.00 C ATOM 1260 CG LEU A 77 -1.690 -23.819 14.937 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -1.623 -23.220 13.514 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -2.037 -22.717 15.948 1.00 0.00 C ATOM 0 H LEU A 77 -3.973 -24.022 16.956 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.125 -23.499 14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.664 -25.466 15.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.590 -25.657 14.218 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.716 -24.247 15.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.865 -22.438 13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.365 -24.003 12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.592 -22.796 13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.287 -21.928 15.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.017 -22.302 15.712 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.054 -23.138 16.953 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.633 -26.200 15.285 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.577 -27.239 14.912 1.00 0.00 C ATOM 1276 C GLU A 78 -7.822 -26.615 14.294 1.00 0.00 C ATOM 1277 O GLU A 78 -8.283 -27.044 13.237 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.966 -28.049 16.153 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.852 -29.232 15.752 1.00 0.00 C ATOM 1280 CD GLU A 78 -7.035 -30.254 14.971 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -5.824 -30.106 14.928 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -7.630 -31.164 14.421 1.00 0.00 O ATOM 0 H GLU A 78 -5.395 -26.175 16.277 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.111 -27.899 14.180 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.070 -28.410 16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.495 -27.412 16.862 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.277 -29.697 16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.687 -28.882 15.146 1.00 0.00 H new ATOM 1289 N LYS A 79 -8.357 -25.594 14.955 1.00 0.00 N ATOM 1290 CA LYS A 79 -9.540 -24.915 14.456 1.00 0.00 C ATOM 1291 C LYS A 79 -9.220 -24.188 13.161 1.00 0.00 C ATOM 1292 O LYS A 79 -9.990 -24.231 12.201 1.00 0.00 O ATOM 1293 CB LYS A 79 -10.049 -23.918 15.495 1.00 0.00 C ATOM 1294 CG LYS A 79 -10.629 -24.680 16.691 1.00 0.00 C ATOM 1295 CD LYS A 79 -11.018 -23.693 17.799 1.00 0.00 C ATOM 1296 CE LYS A 79 -12.308 -22.954 17.425 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.824 -22.223 18.618 1.00 0.00 N ATOM 0 H LYS A 79 -7.991 -25.223 15.832 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.314 -25.658 14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.236 -23.270 15.822 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.811 -23.275 15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.502 -25.253 16.379 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.897 -25.394 17.068 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.156 -24.227 18.739 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.212 -22.976 17.956 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.117 -22.255 16.611 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.055 -23.662 17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.699 -21.721 18.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.021 -22.901 19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.112 -21.537 18.939 1.00 0.00 H new ATOM 1311 N ALA A 80 -8.073 -23.520 13.145 1.00 0.00 N ATOM 1312 CA ALA A 80 -7.652 -22.785 11.965 1.00 0.00 C ATOM 1313 C ALA A 80 -7.361 -23.746 10.821 1.00 0.00 C ATOM 1314 O ALA A 80 -7.631 -23.445 9.659 1.00 0.00 O ATOM 1315 CB ALA A 80 -6.407 -21.952 12.269 1.00 0.00 C ATOM 0 H ALA A 80 -7.424 -23.474 13.931 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.461 -22.116 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.106 -21.408 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.629 -21.243 13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.597 -22.610 12.584 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.808 -24.905 11.162 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.484 -25.905 10.156 1.00 0.00 C ATOM 1323 C LEU A 81 -7.750 -26.369 9.453 1.00 0.00 C ATOM 1324 O LEU A 81 -7.769 -26.530 8.234 1.00 0.00 O ATOM 1325 CB LEU A 81 -5.777 -27.104 10.804 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.549 -28.215 9.764 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -4.777 -27.663 8.556 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.745 -29.351 10.409 1.00 0.00 C ATOM 0 H LEU A 81 -6.577 -25.172 12.119 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.814 -25.456 9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.822 -26.788 11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.378 -27.487 11.629 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.514 -28.589 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.623 -28.459 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.349 -26.857 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.811 -27.280 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.580 -30.141 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.784 -28.968 10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.299 -29.752 11.258 1.00 0.00 H new ATOM 1340 N GLY A 82 -8.804 -26.584 10.230 1.00 0.00 N ATOM 1341 CA GLY A 82 -10.070 -27.030 9.669 1.00 0.00 C ATOM 1342 C GLY A 82 -10.683 -25.938 8.802 1.00 0.00 C ATOM 1343 O GLY A 82 -11.794 -26.084 8.294 1.00 0.00 O ATOM 0 H GLY A 82 -8.807 -26.458 11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.914 -27.930 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.758 -27.294 10.472 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.944 -24.844 8.643 1.00 0.00 N ATOM 1348 CA LEU A 83 -10.408 -23.723 7.836 1.00 0.00 C ATOM 1349 C LEU A 83 -11.722 -23.182 8.387 1.00 0.00 C ATOM 1350 O LEU A 83 -12.636 -22.853 7.630 1.00 0.00 O ATOM 1351 CB LEU A 83 -10.604 -24.172 6.387 1.00 0.00 C ATOM 1352 CG LEU A 83 -9.334 -24.872 5.889 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -9.540 -25.336 4.444 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -8.137 -23.908 5.963 1.00 0.00 C ATOM 0 H LEU A 83 -9.023 -24.711 9.062 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.658 -22.933 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.455 -24.849 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.828 -23.312 5.756 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.129 -25.736 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.637 -25.834 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.378 -26.031 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.751 -24.474 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.240 -24.414 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.333 -23.036 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.989 -23.590 6.995 1.00 0.00 H new ATOM 1366 N GLU A 84 -11.810 -23.092 9.710 1.00 0.00 N ATOM 1367 CA GLU A 84 -13.018 -22.586 10.347 1.00 0.00 C ATOM 1368 C GLU A 84 -13.226 -21.118 9.993 1.00 0.00 C ATOM 1369 O GLU A 84 -12.360 -20.280 10.247 1.00 0.00 O ATOM 1370 CB GLU A 84 -12.912 -22.738 11.866 1.00 0.00 C ATOM 1371 CG GLU A 84 -14.222 -22.294 12.520 1.00 0.00 C ATOM 1372 CD GLU A 84 -14.154 -22.511 14.028 1.00 0.00 C ATOM 1373 OE1 GLU A 84 -13.268 -23.229 14.464 1.00 0.00 O ATOM 1374 OE2 GLU A 84 -14.987 -21.956 14.725 1.00 0.00 O ATOM 0 H GLU A 84 -11.067 -23.360 10.355 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.870 -23.163 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.699 -23.775 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.084 -22.139 12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.407 -21.242 12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.056 -22.857 12.101 1.00 0.00 H new ATOM 1381 N HIS A 85 -14.377 -20.813 9.403 1.00 0.00 N ATOM 1382 CA HIS A 85 -14.689 -19.440 9.015 1.00 0.00 C ATOM 1383 C HIS A 85 -13.474 -18.769 8.379 1.00 0.00 C ATOM 1384 O HIS A 85 -12.658 -18.156 9.068 1.00 0.00 O ATOM 1385 CB HIS A 85 -15.133 -18.641 10.239 1.00 0.00 C ATOM 1386 CG HIS A 85 -16.475 -19.137 10.702 1.00 0.00 C ATOM 1387 ND1 HIS A 85 -16.607 -20.200 11.583 1.00 0.00 N ATOM 1388 CD2 HIS A 85 -17.754 -18.730 10.413 1.00 0.00 C ATOM 1389 CE1 HIS A 85 -17.922 -20.393 11.791 1.00 0.00 C ATOM 1390 NE2 HIS A 85 -18.666 -19.523 11.102 1.00 0.00 N ATOM 0 H HIS A 85 -15.106 -21.492 9.184 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.497 -19.465 8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.400 -18.744 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.190 -17.581 9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.013 -17.917 9.751 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.327 -21.158 12.437 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.684 -19.455 11.085 1.00 0.00 H new ATOM 1398 N HIS A 86 -13.362 -18.893 7.060 1.00 0.00 N ATOM 1399 CA HIS A 86 -12.246 -18.301 6.330 1.00 0.00 C ATOM 1400 C HIS A 86 -12.631 -18.064 4.873 1.00 0.00 C ATOM 1401 O HIS A 86 -13.627 -18.603 4.390 1.00 0.00 O ATOM 1402 CB HIS A 86 -11.031 -19.228 6.400 1.00 0.00 C ATOM 1403 CG HIS A 86 -9.890 -18.622 5.631 1.00 0.00 C ATOM 1404 ND1 HIS A 86 -9.491 -19.110 4.397 1.00 0.00 N ATOM 1405 CD2 HIS A 86 -9.053 -17.569 5.906 1.00 0.00 C ATOM 1406 CE1 HIS A 86 -8.457 -18.359 3.978 1.00 0.00 C ATOM 1407 NE2 HIS A 86 -8.149 -17.405 4.861 1.00 0.00 N ATOM 0 H HIS A 86 -14.029 -19.397 6.476 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.997 -17.344 6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.740 -19.385 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -11.282 -20.205 5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -9.091 -16.961 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.939 -18.509 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -7.410 -16.706 4.785 1.00 0.00 H new ATOM 1415 N HIS A 87 -11.837 -17.253 4.175 1.00 0.00 N ATOM 1416 CA HIS A 87 -12.103 -16.947 2.768 1.00 0.00 C ATOM 1417 C HIS A 87 -10.797 -16.791 1.994 1.00 0.00 C ATOM 1418 O HIS A 87 -9.753 -16.488 2.572 1.00 0.00 O ATOM 1419 CB HIS A 87 -12.917 -15.655 2.660 1.00 0.00 C ATOM 1420 CG HIS A 87 -14.258 -15.847 3.315 1.00 0.00 C ATOM 1421 ND1 HIS A 87 -15.252 -16.628 2.748 1.00 0.00 N ATOM 1422 CD2 HIS A 87 -14.785 -15.359 4.485 1.00 0.00 C ATOM 1423 CE1 HIS A 87 -16.318 -16.588 3.569 1.00 0.00 C ATOM 1424 NE2 HIS A 87 -16.086 -15.828 4.644 1.00 0.00 N ATOM 0 H HIS A 87 -11.008 -16.798 4.557 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.670 -17.773 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.382 -14.835 3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.048 -15.382 1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -14.269 -14.710 5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -17.247 -17.106 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -16.725 -15.634 5.415 1.00 0.00 H new ATOM 1432 N HIS A 88 -10.868 -17.000 0.683 1.00 0.00 N ATOM 1433 CA HIS A 88 -9.689 -16.877 -0.167 1.00 0.00 C ATOM 1434 C HIS A 88 -9.144 -15.452 -0.115 1.00 0.00 C ATOM 1435 O HIS A 88 -7.936 -15.243 -0.007 1.00 0.00 O ATOM 1436 CB HIS A 88 -10.047 -17.242 -1.609 1.00 0.00 C ATOM 1437 CG HIS A 88 -8.801 -17.244 -2.448 1.00 0.00 C ATOM 1438 ND1 HIS A 88 -8.245 -16.077 -2.946 1.00 0.00 N ATOM 1439 CD2 HIS A 88 -7.988 -18.262 -2.881 1.00 0.00 C ATOM 1440 CE1 HIS A 88 -7.146 -16.416 -3.643 1.00 0.00 C ATOM 1441 NE2 HIS A 88 -6.942 -17.737 -3.635 1.00 0.00 N ATOM 0 H HIS A 88 -11.723 -17.254 0.189 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.922 -17.560 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.521 -18.223 -1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.766 -16.527 -2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.137 -19.310 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.506 -15.707 -4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.183 -18.250 -4.084 1.00 0.00 H new ATOM 1449 N HIS A 89 -10.051 -14.477 -0.182 1.00 0.00 N ATOM 1450 CA HIS A 89 -9.668 -13.065 -0.129 1.00 0.00 C ATOM 1451 C HIS A 89 -8.351 -12.806 -0.862 1.00 0.00 C ATOM 1452 O HIS A 89 -7.276 -12.922 -0.275 1.00 0.00 O ATOM 1453 CB HIS A 89 -9.528 -12.627 1.330 1.00 0.00 C ATOM 1454 CG HIS A 89 -9.313 -11.140 1.394 1.00 0.00 C ATOM 1455 ND1 HIS A 89 -10.302 -10.234 1.044 1.00 0.00 N ATOM 1456 CD2 HIS A 89 -8.230 -10.384 1.772 1.00 0.00 C ATOM 1457 CE1 HIS A 89 -9.799 -8.998 1.216 1.00 0.00 C ATOM 1458 NE2 HIS A 89 -8.540 -9.032 1.658 1.00 0.00 N ATOM 0 H HIS A 89 -11.054 -14.638 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.450 -12.489 -0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.423 -12.899 1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.691 -13.146 1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -7.282 -10.779 2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -10.348 -8.089 1.020 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -7.935 -8.238 1.867 1.00 0.00 H new ATOM 1466 N HIS A 90 -8.441 -12.444 -2.141 1.00 0.00 N ATOM 1467 CA HIS A 90 -7.243 -12.163 -2.927 1.00 0.00 C ATOM 1468 C HIS A 90 -6.496 -10.969 -2.344 1.00 0.00 C ATOM 1469 O HIS A 90 -5.376 -10.731 -2.765 1.00 0.00 O ATOM 1470 CB HIS A 90 -7.613 -11.868 -4.385 1.00 0.00 C ATOM 1471 CG HIS A 90 -8.561 -10.701 -4.446 1.00 0.00 C ATOM 1472 ND1 HIS A 90 -8.128 -9.388 -4.341 1.00 0.00 N ATOM 1473 CD2 HIS A 90 -9.922 -10.634 -4.612 1.00 0.00 C ATOM 1474 CE1 HIS A 90 -9.210 -8.594 -4.444 1.00 0.00 C ATOM 1475 NE2 HIS A 90 -10.330 -9.303 -4.610 1.00 0.00 N ATOM 1476 OXT HIS A 90 -7.056 -10.308 -1.484 1.00 0.00 O ATOM 0 H HIS A 90 -9.319 -12.340 -2.649 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.601 -13.043 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -6.714 -11.648 -4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.074 -12.746 -4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.577 -11.485 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.177 -7.515 -4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.280 -8.946 -4.713 1.00 0.00 H new TER 1484 HIS A 90