USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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: B 5 LYS NZ :NH3+ 173:sc= 0.024 (180deg=0) USER MOD Set 1.2: B 20 GLN : amide:sc= -0.764 X(o=-0.74,f=-0.89) USER MOD Set 2.1: B 1 MET N :NH3+ -117:sc= 1.12 (180deg=-0.16) USER MOD Set 2.2: B 43 SER OG : rot 49:sc= -6.65! USER MOD Set 3.1: A 7 GLN : amide:sc= -0.835 X(o=-5.8,f=-5.3) USER MOD Set 3.2: B 1 MET CE :methyl -127:sc= -4.92! (180deg=-9.24!) USER MOD Set 4.1: A 23 GLN : amide:sc= -0.819 K(o=-3,f=-2.3) USER MOD Set 4.2: A 41 TYR OH : rot 108:sc= -2.17 USER MOD Set 5.1: A 21 ASN : amide:sc= 0.0573 K(o=0.29,f=-1.2) USER MOD Set 5.2: A 25 GLN : amide:sc= 0.233 K(o=0.29,f=-0.55) USER MOD Set 6.1: A 1 MET CE :methyl -149:sc= -1.52 (180deg=-0.132) USER MOD Set 6.2: B 7 GLN : amide:sc= -0.779 K(o=-2.3,f=-3) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.786 (180deg=0.211) USER MOD Single : A 4 ASN : amide:sc= -3! C(o=-3!,f=-4!) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= -0.426 (180deg=-2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.55! USER MOD Single : A 20 GLN : amide:sc= -0.0789 K(o=-0.079,f=-1.4!) USER MOD Single : A 27 MET CE :methyl -150:sc= -9.22! (180deg=-12.4!) USER MOD Single : A 43 SER OG : rot 49:sc= -8.83! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -0.668 K(o=-0.67,f=-1.6!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= -2.35! USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 GLN : amide:sc= -2.15 K(o=-2.2,f=-6.3!) USER MOD Single : B 25 GLN : amide:sc= -2.65 K(o=-2.6,f=-6.4!) USER MOD Single : B 27 MET CE :methyl -164:sc= -11.9! (180deg=-12.5!) USER MOD Single : B 41 TYR OH : rot 70:sc= -1.52! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.913 7.321 -2.661 1.00 0.00 N ATOM 2 CA MET A 1 -1.403 8.206 -3.757 1.00 0.00 C ATOM 3 C MET A 1 -2.898 7.999 -3.980 1.00 0.00 C ATOM 4 O MET A 1 -3.428 6.921 -3.794 1.00 0.00 O ATOM 5 CB MET A 1 -0.621 7.778 -5.001 1.00 0.00 C ATOM 6 CG MET A 1 -1.239 8.400 -6.257 1.00 0.00 C ATOM 7 SD MET A 1 -0.578 10.066 -6.486 1.00 0.00 S ATOM 8 CE MET A 1 0.580 9.650 -7.807 1.00 0.00 C ATOM 0 H1 MET A 1 -0.593 7.904 -1.861 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.684 6.697 -2.348 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.120 6.745 -3.008 1.00 0.00 H new ATOM 0 HA MET A 1 -1.256 9.260 -3.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.420 8.087 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.625 6.691 -5.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.016 7.785 -7.129 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.324 8.437 -6.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.447 10.308 -7.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.902 8.615 -7.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.091 9.776 -8.773 1.00 0.00 H new ATOM 20 N GLU A 2 -3.571 9.025 -4.403 1.00 0.00 N ATOM 21 CA GLU A 2 -5.026 8.909 -4.675 1.00 0.00 C ATOM 22 C GLU A 2 -5.312 9.458 -6.068 1.00 0.00 C ATOM 23 O GLU A 2 -5.585 10.628 -6.244 1.00 0.00 O ATOM 24 CB GLU A 2 -5.712 9.769 -3.618 1.00 0.00 C ATOM 25 CG GLU A 2 -5.609 9.089 -2.257 1.00 0.00 C ATOM 26 CD GLU A 2 -4.406 9.644 -1.494 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.406 9.933 -2.132 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.504 9.771 -0.285 1.00 0.00 O ATOM 0 H GLU A 2 -3.173 9.948 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.379 7.878 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.247 10.754 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.759 9.920 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.522 9.256 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.505 8.012 -2.385 1.00 0.00 H new ATOM 35 N VAL A 3 -5.230 8.628 -7.062 1.00 0.00 N ATOM 36 CA VAL A 3 -5.472 9.101 -8.448 1.00 0.00 C ATOM 37 C VAL A 3 -6.956 8.996 -8.800 1.00 0.00 C ATOM 38 O VAL A 3 -7.716 8.318 -8.137 1.00 0.00 O ATOM 39 CB VAL A 3 -4.642 8.155 -9.302 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.222 8.058 -8.729 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.300 6.777 -9.302 1.00 0.00 C ATOM 0 H VAL A 3 -5.005 7.637 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.201 10.146 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.586 8.531 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.628 7.380 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.761 9.046 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.267 7.679 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.711 6.093 -9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.353 6.399 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.307 6.855 -9.713 1.00 0.00 H new ATOM 51 N ASN A 4 -7.376 9.669 -9.838 1.00 0.00 N ATOM 52 CA ASN A 4 -8.815 9.616 -10.231 1.00 0.00 C ATOM 53 C ASN A 4 -9.034 8.558 -11.322 1.00 0.00 C ATOM 54 O ASN A 4 -8.116 7.886 -11.745 1.00 0.00 O ATOM 55 CB ASN A 4 -9.146 11.012 -10.776 1.00 0.00 C ATOM 56 CG ASN A 4 -8.397 12.085 -9.979 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.724 12.351 -8.840 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.402 12.719 -10.538 1.00 0.00 N ATOM 0 H ASN A 4 -6.786 10.253 -10.431 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.451 9.347 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.871 11.073 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.220 11.188 -10.716 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.899 13.438 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.128 12.495 -11.495 1.00 0.00 H new ATOM 65 N LYS A 5 -10.249 8.413 -11.775 1.00 0.00 N ATOM 66 CA LYS A 5 -10.551 7.404 -12.838 1.00 0.00 C ATOM 67 C LYS A 5 -9.525 7.478 -13.976 1.00 0.00 C ATOM 68 O LYS A 5 -9.187 6.479 -14.581 1.00 0.00 O ATOM 69 CB LYS A 5 -11.933 7.797 -13.359 1.00 0.00 C ATOM 70 CG LYS A 5 -12.993 6.823 -12.838 1.00 0.00 C ATOM 71 CD LYS A 5 -12.693 5.417 -13.356 1.00 0.00 C ATOM 72 CE LYS A 5 -13.923 4.865 -14.081 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.023 5.666 -15.332 1.00 0.00 N ATOM 0 H LYS A 5 -11.053 8.952 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.516 6.386 -12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.174 8.812 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.932 7.796 -14.449 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.001 6.826 -11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.984 7.139 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.840 5.442 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.423 4.763 -12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.809 3.803 -14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.821 4.970 -13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.973 6.083 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.312 6.425 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.854 5.050 -16.153 1.00 0.00 H new ATOM 87 N LYS A 6 -9.036 8.650 -14.284 1.00 0.00 N ATOM 88 CA LYS A 6 -8.051 8.776 -15.389 1.00 0.00 C ATOM 89 C LYS A 6 -6.643 8.476 -14.873 1.00 0.00 C ATOM 90 O LYS A 6 -6.024 7.509 -15.270 1.00 0.00 O ATOM 91 CB LYS A 6 -8.196 10.230 -15.852 1.00 0.00 C ATOM 92 CG LYS A 6 -6.877 10.737 -16.433 1.00 0.00 C ATOM 93 CD LYS A 6 -7.155 11.548 -17.702 1.00 0.00 C ATOM 94 CE LYS A 6 -6.772 10.720 -18.931 1.00 0.00 C ATOM 95 NZ LYS A 6 -6.547 11.718 -20.011 1.00 0.00 N ATOM 0 H LYS A 6 -9.278 9.523 -13.816 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.222 8.076 -16.206 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.983 10.303 -16.602 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.496 10.857 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.358 11.355 -15.700 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.222 9.897 -16.662 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.209 11.821 -17.748 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.586 12.477 -17.685 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.875 10.130 -18.746 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.564 10.020 -19.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.280 11.226 -20.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.420 12.260 -20.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.783 12.366 -19.731 1.00 0.00 H new ATOM 109 N GLN A 7 -6.134 9.286 -13.989 1.00 0.00 N ATOM 110 CA GLN A 7 -4.769 9.025 -13.453 1.00 0.00 C ATOM 111 C GLN A 7 -4.635 7.538 -13.123 1.00 0.00 C ATOM 112 O GLN A 7 -3.580 6.954 -13.251 1.00 0.00 O ATOM 113 CB GLN A 7 -4.672 9.861 -12.178 1.00 0.00 C ATOM 114 CG GLN A 7 -4.819 11.341 -12.520 1.00 0.00 C ATOM 115 CD GLN A 7 -3.437 12.001 -12.561 1.00 0.00 C ATOM 116 OE1 GLN A 7 -3.308 13.182 -12.307 1.00 0.00 O ATOM 117 NE2 GLN A 7 -2.393 11.284 -12.871 1.00 0.00 N ATOM 0 H GLN A 7 -6.600 10.113 -13.616 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.983 9.282 -14.163 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.450 9.561 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.714 9.685 -11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.315 11.454 -13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.447 11.835 -11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.500 10.292 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.469 11.715 -12.900 1.00 0.00 H new ATOM 126 N LEU A 8 -5.716 6.927 -12.715 1.00 0.00 N ATOM 127 CA LEU A 8 -5.692 5.476 -12.382 1.00 0.00 C ATOM 128 C LEU A 8 -5.327 4.674 -13.622 1.00 0.00 C ATOM 129 O LEU A 8 -4.336 3.971 -13.653 1.00 0.00 O ATOM 130 CB LEU A 8 -7.120 5.160 -11.934 1.00 0.00 C ATOM 131 CG LEU A 8 -7.147 3.833 -11.177 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.592 3.480 -10.829 1.00 0.00 C ATOM 133 CD2 LEU A 8 -6.555 2.729 -12.053 1.00 0.00 C ATOM 0 H LEU A 8 -6.623 7.378 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.960 5.228 -11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.496 5.960 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.779 5.108 -12.801 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.559 3.925 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.615 2.534 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.018 4.265 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.175 3.389 -11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.576 1.784 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.142 2.636 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.525 2.979 -12.307 1.00 0.00 H new ATOM 145 N ALA A 9 -6.108 4.786 -14.654 1.00 0.00 N ATOM 146 CA ALA A 9 -5.781 4.034 -15.896 1.00 0.00 C ATOM 147 C ALA A 9 -4.397 4.466 -16.373 1.00 0.00 C ATOM 148 O ALA A 9 -3.678 3.718 -17.004 1.00 0.00 O ATOM 149 CB ALA A 9 -6.860 4.418 -16.907 1.00 0.00 C ATOM 0 H ALA A 9 -6.951 5.359 -14.695 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.761 2.954 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.679 3.898 -17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.839 4.136 -16.519 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.833 5.494 -17.077 1.00 0.00 H new ATOM 155 N ASP A 10 -4.017 5.671 -16.052 1.00 0.00 N ATOM 156 CA ASP A 10 -2.673 6.167 -16.456 1.00 0.00 C ATOM 157 C ASP A 10 -1.590 5.431 -15.662 1.00 0.00 C ATOM 158 O ASP A 10 -0.562 5.060 -16.194 1.00 0.00 O ATOM 159 CB ASP A 10 -2.674 7.655 -16.107 1.00 0.00 C ATOM 160 CG ASP A 10 -3.503 8.423 -17.138 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.000 7.793 -18.057 1.00 0.00 O ATOM 162 OD2 ASP A 10 -3.626 9.628 -16.992 1.00 0.00 O ATOM 0 H ASP A 10 -4.583 6.336 -15.525 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.469 6.001 -17.514 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.087 7.805 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.653 8.036 -16.090 1.00 0.00 H new ATOM 167 N ILE A 11 -1.814 5.210 -14.393 1.00 0.00 N ATOM 168 CA ILE A 11 -0.792 4.488 -13.578 1.00 0.00 C ATOM 169 C ILE A 11 -0.406 3.192 -14.274 1.00 0.00 C ATOM 170 O ILE A 11 0.740 2.950 -14.593 1.00 0.00 O ATOM 171 CB ILE A 11 -1.470 4.140 -12.252 1.00 0.00 C ATOM 172 CG1 ILE A 11 -2.204 5.366 -11.695 1.00 0.00 C ATOM 173 CG2 ILE A 11 -0.404 3.655 -11.272 1.00 0.00 C ATOM 174 CD1 ILE A 11 -2.202 5.363 -10.157 1.00 0.00 C ATOM 0 H ILE A 11 -2.653 5.495 -13.889 1.00 0.00 H new ATOM 0 HA ILE A 11 0.101 5.097 -13.439 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.207 3.351 -12.405 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.727 6.276 -12.060 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.231 5.375 -12.060 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.872 3.403 -10.321 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.090 2.772 -11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.333 4.443 -11.116 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.729 6.244 -9.791 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.701 4.464 -9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.174 5.379 -9.794 1.00 0.00 H new ATOM 186 N PHE A 12 -1.374 2.356 -14.505 1.00 0.00 N ATOM 187 CA PHE A 12 -1.100 1.061 -15.173 1.00 0.00 C ATOM 188 C PHE A 12 -1.023 1.271 -16.682 1.00 0.00 C ATOM 189 O PHE A 12 -0.926 0.328 -17.444 1.00 0.00 O ATOM 190 CB PHE A 12 -2.301 0.163 -14.845 1.00 0.00 C ATOM 191 CG PHE A 12 -2.577 0.136 -13.357 1.00 0.00 C ATOM 192 CD1 PHE A 12 -3.317 1.163 -12.753 1.00 0.00 C ATOM 193 CD2 PHE A 12 -2.113 -0.932 -12.582 1.00 0.00 C ATOM 194 CE1 PHE A 12 -3.589 1.119 -11.383 1.00 0.00 C ATOM 195 CE2 PHE A 12 -2.386 -0.973 -11.211 1.00 0.00 C ATOM 196 CZ PHE A 12 -3.126 0.052 -10.612 1.00 0.00 C ATOM 0 H PHE A 12 -2.350 2.516 -14.257 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.159 0.624 -14.839 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.183 0.524 -15.374 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.108 -0.849 -15.200 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.677 1.989 -13.348 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.543 -1.726 -13.043 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.158 1.912 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.025 -1.797 -10.614 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.339 0.018 -9.554 1.00 0.00 H new ATOM 206 N GLY A 13 -1.107 2.494 -17.128 1.00 0.00 N ATOM 207 CA GLY A 13 -1.082 2.739 -18.594 1.00 0.00 C ATOM 208 C GLY A 13 -2.228 1.941 -19.211 1.00 0.00 C ATOM 209 O GLY A 13 -2.245 1.654 -20.391 1.00 0.00 O ATOM 0 H GLY A 13 -1.191 3.327 -16.545 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.196 3.802 -18.807 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.127 2.430 -19.018 1.00 0.00 H new ATOM 213 N ALA A 14 -3.187 1.572 -18.400 1.00 0.00 N ATOM 214 CA ALA A 14 -4.340 0.781 -18.903 1.00 0.00 C ATOM 215 C ALA A 14 -5.339 1.689 -19.607 1.00 0.00 C ATOM 216 O ALA A 14 -5.081 2.849 -19.862 1.00 0.00 O ATOM 217 CB ALA A 14 -4.994 0.194 -17.646 1.00 0.00 C ATOM 0 H ALA A 14 -3.217 1.789 -17.404 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.026 0.018 -19.615 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.858 -0.407 -17.932 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.274 -0.433 -17.120 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.316 1.004 -16.991 1.00 0.00 H new ATOM 223 N SER A 15 -6.501 1.174 -19.873 1.00 0.00 N ATOM 224 CA SER A 15 -7.554 2.000 -20.502 1.00 0.00 C ATOM 225 C SER A 15 -8.589 2.296 -19.436 1.00 0.00 C ATOM 226 O SER A 15 -8.991 1.428 -18.687 1.00 0.00 O ATOM 227 CB SER A 15 -8.142 1.154 -21.623 1.00 0.00 C ATOM 228 OG SER A 15 -7.199 1.054 -22.682 1.00 0.00 O ATOM 0 H SER A 15 -6.766 0.208 -19.679 1.00 0.00 H new ATOM 0 HA SER A 15 -7.187 2.944 -20.905 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.394 0.161 -21.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.067 1.603 -21.986 1.00 0.00 H new ATOM 0 HG SER A 15 -7.575 0.508 -23.404 1.00 0.00 H new ATOM 234 N ILE A 16 -8.999 3.510 -19.331 1.00 0.00 N ATOM 235 CA ILE A 16 -9.980 3.850 -18.274 1.00 0.00 C ATOM 236 C ILE A 16 -11.168 2.897 -18.334 1.00 0.00 C ATOM 237 O ILE A 16 -11.779 2.593 -17.330 1.00 0.00 O ATOM 238 CB ILE A 16 -10.393 5.287 -18.551 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.122 6.119 -18.801 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.150 5.804 -17.333 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.321 7.567 -18.361 1.00 0.00 C ATOM 0 H ILE A 16 -8.704 4.285 -19.925 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.563 3.753 -17.272 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.036 5.357 -19.428 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.284 5.682 -18.258 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.866 6.089 -19.860 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.458 6.835 -17.507 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.031 5.186 -17.163 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.503 5.761 -16.457 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.408 8.133 -18.548 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.144 8.008 -18.923 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.553 7.595 -17.296 1.00 0.00 H new ATOM 253 N ARG A 17 -11.482 2.391 -19.490 1.00 0.00 N ATOM 254 CA ARG A 17 -12.605 1.429 -19.576 1.00 0.00 C ATOM 255 C ARG A 17 -12.234 0.210 -18.725 1.00 0.00 C ATOM 256 O ARG A 17 -13.075 -0.436 -18.130 1.00 0.00 O ATOM 257 CB ARG A 17 -12.732 1.118 -21.071 1.00 0.00 C ATOM 258 CG ARG A 17 -12.179 -0.265 -21.391 1.00 0.00 C ATOM 259 CD ARG A 17 -10.665 -0.218 -21.261 1.00 0.00 C ATOM 260 NE ARG A 17 -10.153 -0.529 -22.623 1.00 0.00 N ATOM 261 CZ ARG A 17 -10.212 -1.751 -23.076 1.00 0.00 C ATOM 262 NH1 ARG A 17 -9.229 -2.579 -22.851 1.00 0.00 N ATOM 263 NH2 ARG A 17 -11.257 -2.148 -23.751 1.00 0.00 N ATOM 0 H ARG A 17 -11.013 2.601 -20.371 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.561 1.793 -19.199 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.779 1.173 -21.370 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.196 1.870 -21.649 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.595 -1.007 -20.710 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.464 -0.563 -22.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.328 0.763 -20.927 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.309 -0.944 -20.530 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.757 0.212 -23.201 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.414 -2.271 -22.321 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.276 -3.534 -23.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.028 -1.503 -23.924 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.303 -3.104 -24.105 1.00 0.00 H new ATOM 277 N THR A 18 -10.959 -0.062 -18.627 1.00 0.00 N ATOM 278 CA THR A 18 -10.495 -1.190 -17.769 1.00 0.00 C ATOM 279 C THR A 18 -10.698 -0.752 -16.330 1.00 0.00 C ATOM 280 O THR A 18 -11.106 -1.514 -15.477 1.00 0.00 O ATOM 281 CB THR A 18 -9.002 -1.369 -18.075 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.831 -1.756 -19.430 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.405 -2.447 -17.166 1.00 0.00 C ATOM 0 H THR A 18 -10.218 0.450 -19.106 1.00 0.00 H new ATOM 0 HA THR A 18 -11.027 -2.125 -17.944 1.00 0.00 H new ATOM 0 HB THR A 18 -8.493 -0.422 -17.897 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.876 -1.867 -19.620 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.345 -2.567 -17.391 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.524 -2.151 -16.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.921 -3.392 -17.335 1.00 0.00 H new ATOM 291 N ILE A 19 -10.446 0.504 -16.074 1.00 0.00 N ATOM 292 CA ILE A 19 -10.652 1.038 -14.711 1.00 0.00 C ATOM 293 C ILE A 19 -12.131 0.915 -14.365 1.00 0.00 C ATOM 294 O ILE A 19 -12.505 0.719 -13.226 1.00 0.00 O ATOM 295 CB ILE A 19 -10.228 2.500 -14.791 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.808 2.584 -15.357 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.251 3.112 -13.394 1.00 0.00 C ATOM 298 CD1 ILE A 19 -7.910 1.598 -14.614 1.00 0.00 C ATOM 0 H ILE A 19 -10.105 1.180 -16.758 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.085 0.508 -13.945 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.915 3.045 -15.439 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.815 2.356 -16.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.421 3.597 -15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.948 4.158 -13.450 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.259 3.048 -12.985 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.562 2.569 -12.747 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.898 1.655 -15.014 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.895 1.848 -13.553 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.295 0.587 -14.743 1.00 0.00 H new ATOM 310 N GLN A 20 -12.974 0.995 -15.359 1.00 0.00 N ATOM 311 CA GLN A 20 -14.427 0.843 -15.109 1.00 0.00 C ATOM 312 C GLN A 20 -14.676 -0.621 -14.788 1.00 0.00 C ATOM 313 O GLN A 20 -15.600 -0.976 -14.084 1.00 0.00 O ATOM 314 CB GLN A 20 -15.113 1.238 -16.417 1.00 0.00 C ATOM 315 CG GLN A 20 -14.835 2.713 -16.716 1.00 0.00 C ATOM 316 CD GLN A 20 -15.901 3.248 -17.674 1.00 0.00 C ATOM 317 OE1 GLN A 20 -17.056 2.881 -17.581 1.00 0.00 O ATOM 318 NE2 GLN A 20 -15.560 4.102 -18.599 1.00 0.00 N ATOM 0 H GLN A 20 -12.715 1.159 -16.332 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.799 1.453 -14.286 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.747 0.616 -17.234 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.187 1.068 -16.342 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.839 3.290 -15.791 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.845 2.825 -17.157 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.591 4.410 -18.677 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.263 4.462 -19.245 1.00 0.00 H new ATOM 327 N ASN A 21 -13.821 -1.474 -15.287 1.00 0.00 N ATOM 328 CA ASN A 21 -13.961 -2.922 -14.999 1.00 0.00 C ATOM 329 C ASN A 21 -13.308 -3.208 -13.652 1.00 0.00 C ATOM 330 O ASN A 21 -13.654 -4.143 -12.958 1.00 0.00 O ATOM 331 CB ASN A 21 -13.219 -3.634 -16.128 1.00 0.00 C ATOM 332 CG ASN A 21 -13.807 -5.033 -16.326 1.00 0.00 C ATOM 333 OD1 ASN A 21 -13.168 -6.022 -16.026 1.00 0.00 O ATOM 334 ND2 ASN A 21 -15.008 -5.158 -16.822 1.00 0.00 N ATOM 0 H ASN A 21 -13.031 -1.225 -15.883 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.998 -3.254 -14.948 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.302 -3.060 -17.051 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.157 -3.705 -15.891 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.410 -6.086 -16.958 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.545 -4.328 -17.074 1.00 0.00 H new ATOM 341 N TRP A 22 -12.372 -2.381 -13.281 1.00 0.00 N ATOM 342 CA TRP A 22 -11.683 -2.554 -11.976 1.00 0.00 C ATOM 343 C TRP A 22 -12.612 -2.110 -10.852 1.00 0.00 C ATOM 344 O TRP A 22 -12.862 -2.837 -9.911 1.00 0.00 O ATOM 345 CB TRP A 22 -10.468 -1.636 -12.061 1.00 0.00 C ATOM 346 CG TRP A 22 -9.414 -2.294 -12.884 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.580 -3.429 -13.600 1.00 0.00 C ATOM 348 CD2 TRP A 22 -8.035 -1.884 -13.080 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.388 -3.739 -14.223 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.403 -2.817 -13.934 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.281 -0.804 -12.604 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -6.064 -2.680 -14.301 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -5.935 -0.662 -12.969 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.326 -1.597 -13.816 1.00 0.00 C ATOM 0 H TRP A 22 -12.053 -1.585 -13.833 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.400 -3.587 -11.775 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.749 -0.681 -12.504 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.087 -1.424 -11.062 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.494 -3.999 -13.672 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.252 -4.552 -14.824 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.740 -0.076 -11.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.602 -3.405 -14.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.363 0.174 -12.595 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.289 -1.481 -14.093 1.00 0.00 H new ATOM 365 N GLN A 23 -13.135 -0.921 -10.953 1.00 0.00 N ATOM 366 CA GLN A 23 -14.058 -0.434 -9.898 1.00 0.00 C ATOM 367 C GLN A 23 -15.232 -1.409 -9.761 1.00 0.00 C ATOM 368 O GLN A 23 -15.946 -1.403 -8.778 1.00 0.00 O ATOM 369 CB GLN A 23 -14.541 0.933 -10.382 1.00 0.00 C ATOM 370 CG GLN A 23 -15.240 0.783 -11.733 1.00 0.00 C ATOM 371 CD GLN A 23 -16.206 1.951 -11.942 1.00 0.00 C ATOM 372 OE1 GLN A 23 -17.134 1.856 -12.721 1.00 0.00 O ATOM 373 NE2 GLN A 23 -16.028 3.058 -11.273 1.00 0.00 N ATOM 0 H GLN A 23 -12.963 -0.269 -11.718 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.579 -0.361 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.226 1.366 -9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.697 1.617 -10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.502 0.760 -12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.782 -0.162 -11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.250 3.139 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.667 3.842 -11.404 1.00 0.00 H new ATOM 382 N GLU A 24 -15.436 -2.251 -10.743 1.00 0.00 N ATOM 383 CA GLU A 24 -16.561 -3.228 -10.667 1.00 0.00 C ATOM 384 C GLU A 24 -16.024 -4.646 -10.474 1.00 0.00 C ATOM 385 O GLU A 24 -16.756 -5.559 -10.146 1.00 0.00 O ATOM 386 CB GLU A 24 -17.280 -3.113 -12.011 1.00 0.00 C ATOM 387 CG GLU A 24 -18.396 -2.077 -11.901 1.00 0.00 C ATOM 388 CD GLU A 24 -19.752 -2.773 -12.034 1.00 0.00 C ATOM 389 OE1 GLU A 24 -19.844 -3.703 -12.818 1.00 0.00 O ATOM 390 OE2 GLU A 24 -20.675 -2.365 -11.349 1.00 0.00 O ATOM 0 H GLU A 24 -14.873 -2.303 -11.592 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.224 -3.022 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.575 -2.823 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.693 -4.080 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.333 -1.559 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.284 -1.322 -12.680 1.00 0.00 H new ATOM 397 N GLN A 25 -14.752 -4.839 -10.676 1.00 0.00 N ATOM 398 CA GLN A 25 -14.171 -6.201 -10.504 1.00 0.00 C ATOM 399 C GLN A 25 -13.720 -6.399 -9.058 1.00 0.00 C ATOM 400 O GLN A 25 -13.290 -7.468 -8.669 1.00 0.00 O ATOM 401 CB GLN A 25 -12.973 -6.245 -11.450 1.00 0.00 C ATOM 402 CG GLN A 25 -13.434 -6.731 -12.822 1.00 0.00 C ATOM 403 CD GLN A 25 -12.873 -8.130 -13.080 1.00 0.00 C ATOM 404 OE1 GLN A 25 -12.817 -8.949 -12.184 1.00 0.00 O ATOM 405 NE2 GLN A 25 -12.455 -8.444 -14.275 1.00 0.00 N ATOM 0 H GLN A 25 -14.089 -4.115 -10.952 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.891 -6.989 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.524 -5.255 -11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.206 -6.911 -11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.523 -6.750 -12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.095 -6.043 -13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.501 -7.758 -15.028 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.082 -9.376 -14.456 1.00 0.00 H new ATOM 414 N GLY A 26 -13.816 -5.376 -8.259 1.00 0.00 N ATOM 415 CA GLY A 26 -13.397 -5.500 -6.835 1.00 0.00 C ATOM 416 C GLY A 26 -12.220 -4.562 -6.564 1.00 0.00 C ATOM 417 O GLY A 26 -11.568 -4.652 -5.543 1.00 0.00 O ATOM 0 H GLY A 26 -14.167 -4.457 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.231 -5.254 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.113 -6.529 -6.617 1.00 0.00 H new ATOM 421 N MET A 27 -11.938 -3.664 -7.468 1.00 0.00 N ATOM 422 CA MET A 27 -10.799 -2.728 -7.249 1.00 0.00 C ATOM 423 C MET A 27 -11.143 -1.725 -6.145 1.00 0.00 C ATOM 424 O MET A 27 -12.217 -1.159 -6.130 1.00 0.00 O ATOM 425 CB MET A 27 -10.594 -2.017 -8.582 1.00 0.00 C ATOM 426 CG MET A 27 -9.150 -1.523 -8.667 1.00 0.00 C ATOM 427 SD MET A 27 -9.049 0.142 -7.970 1.00 0.00 S ATOM 428 CE MET A 27 -10.096 0.950 -9.203 1.00 0.00 C ATOM 0 H MET A 27 -12.444 -3.538 -8.345 1.00 0.00 H new ATOM 0 HA MET A 27 -9.896 -3.250 -6.932 1.00 0.00 H new ATOM 0 HB2 MET A 27 -10.809 -2.696 -9.407 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.284 -1.178 -8.671 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.489 -2.198 -8.123 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.816 -1.517 -9.704 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.782 1.987 -9.323 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.003 0.430 -10.156 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.135 0.921 -8.874 1.00 0.00 H new ATOM 438 N PRO A 28 -10.215 -1.559 -5.242 1.00 0.00 N ATOM 439 CA PRO A 28 -10.414 -0.635 -4.100 1.00 0.00 C ATOM 440 C PRO A 28 -10.313 0.825 -4.512 1.00 0.00 C ATOM 441 O PRO A 28 -9.254 1.438 -4.478 1.00 0.00 O ATOM 442 CB PRO A 28 -9.291 -1.005 -3.139 1.00 0.00 C ATOM 443 CG PRO A 28 -8.224 -1.606 -3.999 1.00 0.00 C ATOM 444 CD PRO A 28 -8.904 -2.218 -5.197 1.00 0.00 C ATOM 0 HA PRO A 28 -11.408 -0.735 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.922 -0.128 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.635 -1.713 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.508 -0.845 -4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.666 -2.362 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.337 -2.040 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.005 -3.298 -5.089 1.00 0.00 H new ATOM 452 N VAL A 29 -11.424 1.404 -4.843 1.00 0.00 N ATOM 453 CA VAL A 29 -11.417 2.832 -5.189 1.00 0.00 C ATOM 454 C VAL A 29 -11.628 3.625 -3.900 1.00 0.00 C ATOM 455 O VAL A 29 -12.428 3.264 -3.059 1.00 0.00 O ATOM 456 CB VAL A 29 -12.541 3.034 -6.190 1.00 0.00 C ATOM 457 CG1 VAL A 29 -13.790 2.339 -5.743 1.00 0.00 C ATOM 458 CG2 VAL A 29 -12.848 4.505 -6.303 1.00 0.00 C ATOM 0 H VAL A 29 -12.334 0.946 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.481 3.171 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.218 2.623 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.579 2.500 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.597 1.271 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.105 2.740 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.655 4.654 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.153 4.889 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.959 5.037 -6.641 1.00 0.00 H new ATOM 468 N LEU A 30 -10.894 4.677 -3.726 1.00 0.00 N ATOM 469 CA LEU A 30 -11.008 5.481 -2.477 1.00 0.00 C ATOM 470 C LEU A 30 -12.460 5.814 -2.143 1.00 0.00 C ATOM 471 O LEU A 30 -13.062 5.223 -1.270 1.00 0.00 O ATOM 472 CB LEU A 30 -10.232 6.756 -2.764 1.00 0.00 C ATOM 473 CG LEU A 30 -8.961 6.746 -1.930 1.00 0.00 C ATOM 474 CD1 LEU A 30 -7.857 6.035 -2.704 1.00 0.00 C ATOM 475 CD2 LEU A 30 -8.543 8.183 -1.622 1.00 0.00 C ATOM 0 H LEU A 30 -10.211 5.023 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.621 4.932 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.989 6.820 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.837 7.630 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.138 6.219 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.944 6.026 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.163 5.010 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.674 6.560 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.632 8.177 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.361 8.717 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.338 8.682 -1.067 1.00 0.00 H new ATOM 606 N LEU A 40 -12.167 8.450 -6.144 1.00 0.00 N ATOM 607 CA LEU A 40 -10.683 8.376 -6.243 1.00 0.00 C ATOM 608 C LEU A 40 -10.230 6.930 -6.112 1.00 0.00 C ATOM 609 O LEU A 40 -10.959 6.091 -5.640 1.00 0.00 O ATOM 610 CB LEU A 40 -10.172 9.194 -5.065 1.00 0.00 C ATOM 611 CG LEU A 40 -9.876 10.612 -5.532 1.00 0.00 C ATOM 612 CD1 LEU A 40 -8.735 10.579 -6.549 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.132 11.203 -6.182 1.00 0.00 C ATOM 0 HA LEU A 40 -10.309 8.750 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.915 9.209 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.271 8.738 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.585 11.229 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.519 11.593 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.845 10.154 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.026 9.967 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.924 12.219 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.422 10.591 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.944 11.220 -5.455 1.00 0.00 H new ATOM 625 N TYR A 41 -9.035 6.625 -6.522 1.00 0.00 N ATOM 626 CA TYR A 41 -8.557 5.221 -6.411 1.00 0.00 C ATOM 627 C TYR A 41 -7.214 5.175 -5.699 1.00 0.00 C ATOM 628 O TYR A 41 -6.269 5.820 -6.104 1.00 0.00 O ATOM 629 CB TYR A 41 -8.403 4.743 -7.852 1.00 0.00 C ATOM 630 CG TYR A 41 -9.729 4.833 -8.558 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.703 3.861 -8.331 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.984 5.887 -9.441 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.937 3.934 -8.988 1.00 0.00 C ATOM 634 CE2 TYR A 41 -11.217 5.963 -10.097 1.00 0.00 C ATOM 635 CZ TYR A 41 -12.195 4.986 -9.871 1.00 0.00 C ATOM 636 OH TYR A 41 -13.407 5.056 -10.526 1.00 0.00 O ATOM 0 H TYR A 41 -8.370 7.283 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.245 4.598 -5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.662 5.351 -8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.040 3.715 -7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.505 3.050 -7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.231 6.641 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.689 3.178 -8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.415 6.777 -10.779 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.941 5.786 -10.149 1.00 0.00 H new ATOM 646 N ASP A 42 -7.106 4.411 -4.649 1.00 0.00 N ATOM 647 CA ASP A 42 -5.797 4.346 -3.958 1.00 0.00 C ATOM 648 C ASP A 42 -4.784 3.748 -4.924 1.00 0.00 C ATOM 649 O ASP A 42 -4.561 2.557 -4.946 1.00 0.00 O ATOM 650 CB ASP A 42 -6.002 3.440 -2.748 1.00 0.00 C ATOM 651 CG ASP A 42 -6.055 4.284 -1.474 1.00 0.00 C ATOM 652 OD1 ASP A 42 -5.277 5.218 -1.375 1.00 0.00 O ATOM 653 OD2 ASP A 42 -6.874 3.984 -0.622 1.00 0.00 O ATOM 0 H ASP A 42 -7.852 3.842 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.432 5.322 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.926 2.873 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.190 2.716 -2.682 1.00 0.00 H new ATOM 658 N SER A 43 -4.199 4.573 -5.740 1.00 0.00 N ATOM 659 CA SER A 43 -3.209 4.085 -6.739 1.00 0.00 C ATOM 660 C SER A 43 -2.393 2.921 -6.181 1.00 0.00 C ATOM 661 O SER A 43 -2.048 2.003 -6.894 1.00 0.00 O ATOM 662 CB SER A 43 -2.312 5.286 -7.002 1.00 0.00 C ATOM 663 OG SER A 43 -2.444 6.198 -5.923 1.00 0.00 O ATOM 0 H SER A 43 -4.366 5.579 -5.759 1.00 0.00 H new ATOM 0 HA SER A 43 -3.690 3.713 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.274 4.968 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.590 5.767 -7.940 1.00 0.00 H new ATOM 0 HG SER A 43 -2.348 5.717 -5.075 1.00 0.00 H new ATOM 669 N ALA A 44 -2.097 2.938 -4.909 1.00 0.00 N ATOM 670 CA ALA A 44 -1.310 1.809 -4.330 1.00 0.00 C ATOM 671 C ALA A 44 -2.248 0.652 -4.009 1.00 0.00 C ATOM 672 O ALA A 44 -1.914 -0.502 -4.177 1.00 0.00 O ATOM 673 CB ALA A 44 -0.651 2.349 -3.064 1.00 0.00 C ATOM 0 H ALA A 44 -2.361 3.673 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.555 1.437 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.060 1.561 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.002 3.186 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.420 2.686 -2.369 1.00 0.00 H new ATOM 679 N ALA A 45 -3.439 0.948 -3.584 1.00 0.00 N ATOM 680 CA ALA A 45 -4.399 -0.146 -3.307 1.00 0.00 C ATOM 681 C ALA A 45 -4.899 -0.669 -4.651 1.00 0.00 C ATOM 682 O ALA A 45 -5.315 -1.804 -4.785 1.00 0.00 O ATOM 683 CB ALA A 45 -5.540 0.492 -2.512 1.00 0.00 C ATOM 0 H ALA A 45 -3.787 1.892 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.965 -0.975 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.286 -0.266 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.147 0.916 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.001 1.281 -3.106 1.00 0.00 H new ATOM 689 N VAL A 46 -4.844 0.171 -5.652 1.00 0.00 N ATOM 690 CA VAL A 46 -5.298 -0.234 -7.008 1.00 0.00 C ATOM 691 C VAL A 46 -4.289 -1.196 -7.642 1.00 0.00 C ATOM 692 O VAL A 46 -4.586 -1.843 -8.624 1.00 0.00 O ATOM 693 CB VAL A 46 -5.372 1.068 -7.811 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.845 0.770 -9.232 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.367 2.025 -7.156 1.00 0.00 C ATOM 0 H VAL A 46 -4.500 1.129 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.257 -0.752 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.382 1.523 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.897 1.699 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.144 0.088 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.833 0.310 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.415 2.949 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.353 1.562 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.043 2.247 -6.139 1.00 0.00 H new ATOM 705 N ILE A 47 -3.102 -1.305 -7.089 1.00 0.00 N ATOM 706 CA ILE A 47 -2.097 -2.251 -7.686 1.00 0.00 C ATOM 707 C ILE A 47 -2.010 -3.536 -6.888 1.00 0.00 C ATOM 708 O ILE A 47 -2.210 -4.609 -7.413 1.00 0.00 O ATOM 709 CB ILE A 47 -0.727 -1.584 -7.677 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.626 -0.496 -6.613 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.482 -0.992 -9.043 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.629 0.339 -6.855 1.00 0.00 C ATOM 0 H ILE A 47 -2.788 -0.791 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.412 -2.490 -8.702 1.00 0.00 H new ATOM 0 HB ILE A 47 0.026 -2.334 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.510 0.140 -6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.591 -0.945 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.495 -0.508 -9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.508 -1.783 -9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.255 -0.256 -9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.701 1.117 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.509 -0.303 -6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.575 0.800 -7.841 1.00 0.00 H new ATOM 724 N LYS A 48 -1.697 -3.444 -5.629 1.00 0.00 N ATOM 725 CA LYS A 48 -1.590 -4.675 -4.814 1.00 0.00 C ATOM 726 C LYS A 48 -2.784 -5.575 -5.159 1.00 0.00 C ATOM 727 O LYS A 48 -2.700 -6.789 -5.170 1.00 0.00 O ATOM 728 CB LYS A 48 -1.634 -4.173 -3.359 1.00 0.00 C ATOM 729 CG LYS A 48 -2.322 -5.199 -2.451 1.00 0.00 C ATOM 730 CD LYS A 48 -2.583 -4.572 -1.080 1.00 0.00 C ATOM 731 CE LYS A 48 -1.252 -4.336 -0.362 1.00 0.00 C ATOM 732 NZ LYS A 48 -1.377 -5.068 0.929 1.00 0.00 N ATOM 0 H LYS A 48 -1.512 -2.572 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.688 -5.261 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.621 -3.987 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.168 -3.224 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.261 -5.525 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.695 -6.084 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.118 -3.629 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.218 -5.227 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.414 -4.712 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.075 -3.273 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.502 -4.954 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.178 -4.684 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.538 -6.078 0.741 1.00 0.00 H new ATOM 746 N TRP A 49 -3.885 -4.955 -5.479 1.00 0.00 N ATOM 747 CA TRP A 49 -5.110 -5.712 -5.863 1.00 0.00 C ATOM 748 C TRP A 49 -5.082 -6.013 -7.371 1.00 0.00 C ATOM 749 O TRP A 49 -5.636 -6.993 -7.829 1.00 0.00 O ATOM 750 CB TRP A 49 -6.252 -4.758 -5.500 1.00 0.00 C ATOM 751 CG TRP A 49 -7.447 -5.015 -6.357 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.552 -5.683 -5.960 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.680 -4.617 -7.738 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.456 -5.710 -7.006 1.00 0.00 N ATOM 755 CE2 TRP A 49 -8.962 -5.072 -8.125 1.00 0.00 C ATOM 756 CE3 TRP A 49 -6.912 -3.911 -8.684 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.467 -4.835 -9.401 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.419 -3.674 -9.972 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.693 -4.136 -10.328 1.00 0.00 C ATOM 0 H TRP A 49 -3.990 -3.940 -5.491 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.207 -6.675 -5.362 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.517 -4.883 -4.450 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.924 -3.726 -5.625 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.704 -6.124 -4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.376 -6.148 -6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.929 -3.550 -8.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.451 -5.190 -9.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.824 -3.133 -10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.076 -3.951 -11.321 1.00 0.00 H new ATOM 770 N TYR A 50 -4.434 -5.178 -8.139 1.00 0.00 N ATOM 771 CA TYR A 50 -4.355 -5.404 -9.610 1.00 0.00 C ATOM 772 C TYR A 50 -3.203 -6.360 -9.923 1.00 0.00 C ATOM 773 O TYR A 50 -3.294 -7.198 -10.797 1.00 0.00 O ATOM 774 CB TYR A 50 -4.089 -4.008 -10.189 1.00 0.00 C ATOM 775 CG TYR A 50 -3.196 -4.082 -11.410 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.807 -4.222 -11.262 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.759 -4.014 -12.685 1.00 0.00 C ATOM 778 CE1 TYR A 50 -0.987 -4.293 -12.397 1.00 0.00 C ATOM 779 CE2 TYR A 50 -2.942 -4.083 -13.818 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.556 -4.222 -13.674 1.00 0.00 C ATOM 781 OH TYR A 50 -0.750 -4.293 -14.791 1.00 0.00 O ATOM 0 H TYR A 50 -3.952 -4.343 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.256 -5.854 -10.028 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.035 -3.536 -10.455 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.621 -3.380 -9.431 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.371 -4.275 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.828 -3.908 -12.797 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.082 -4.402 -12.286 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.380 -4.029 -14.804 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.303 -4.230 -15.598 1.00 0.00 H new ATOM 791 N ALA A 51 -2.126 -6.241 -9.208 1.00 0.00 N ATOM 792 CA ALA A 51 -0.974 -7.138 -9.449 1.00 0.00 C ATOM 793 C ALA A 51 -1.357 -8.543 -9.011 1.00 0.00 C ATOM 794 O ALA A 51 -0.765 -9.523 -9.418 1.00 0.00 O ATOM 795 CB ALA A 51 0.137 -6.583 -8.563 1.00 0.00 C ATOM 0 H ALA A 51 -1.995 -5.557 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.668 -7.185 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.034 -7.191 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.355 -5.555 -8.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.183 -6.605 -7.521 1.00 0.00 H new ATOM 1092 N MET B 1 1.501 6.522 -17.453 1.00 0.00 N ATOM 1093 CA MET B 1 1.933 7.729 -16.691 1.00 0.00 C ATOM 1094 C MET B 1 3.416 7.627 -16.337 1.00 0.00 C ATOM 1095 O MET B 1 3.927 6.570 -16.023 1.00 0.00 O ATOM 1096 CB MET B 1 1.053 7.737 -15.430 1.00 0.00 C ATOM 1097 CG MET B 1 1.769 8.399 -14.247 1.00 0.00 C ATOM 1098 SD MET B 1 0.696 9.674 -13.543 1.00 0.00 S ATOM 1099 CE MET B 1 -0.198 8.596 -12.401 1.00 0.00 C ATOM 0 H1 MET B 1 1.194 6.804 -18.406 1.00 0.00 H new ATOM 0 H2 MET B 1 2.296 5.856 -17.529 1.00 0.00 H new ATOM 0 H3 MET B 1 0.711 6.063 -16.957 1.00 0.00 H new ATOM 0 HA MET B 1 1.818 8.650 -17.263 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.124 8.268 -15.637 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.784 6.714 -15.167 1.00 0.00 H new ATOM 0 HG2 MET B 1 2.013 7.653 -13.490 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.710 8.839 -14.576 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.271 8.711 -12.556 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.085 7.559 -12.582 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.051 8.866 -11.375 1.00 0.00 H new ATOM 1111 N GLU B 2 4.099 8.732 -16.367 1.00 0.00 N ATOM 1112 CA GLU B 2 5.537 8.745 -16.017 1.00 0.00 C ATOM 1113 C GLU B 2 5.694 9.527 -14.710 1.00 0.00 C ATOM 1114 O GLU B 2 5.776 10.739 -14.695 1.00 0.00 O ATOM 1115 CB GLU B 2 6.208 9.443 -17.208 1.00 0.00 C ATOM 1116 CG GLU B 2 7.498 10.134 -16.774 1.00 0.00 C ATOM 1117 CD GLU B 2 8.137 10.818 -17.984 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.869 10.387 -19.093 1.00 0.00 O ATOM 1119 OE2 GLU B 2 8.879 11.764 -17.781 1.00 0.00 O ATOM 0 H GLU B 2 3.713 9.641 -16.624 1.00 0.00 H new ATOM 0 HA GLU B 2 5.980 7.763 -15.854 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.426 8.713 -17.988 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.525 10.175 -17.638 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.287 10.868 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.188 9.406 -16.347 1.00 0.00 H new ATOM 1126 N VAL B 3 5.685 8.836 -13.605 1.00 0.00 N ATOM 1127 CA VAL B 3 5.791 9.524 -12.289 1.00 0.00 C ATOM 1128 C VAL B 3 7.252 9.573 -11.817 1.00 0.00 C ATOM 1129 O VAL B 3 8.104 8.877 -12.332 1.00 0.00 O ATOM 1130 CB VAL B 3 4.941 8.669 -11.354 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.583 8.388 -12.005 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.660 7.354 -11.074 1.00 0.00 C ATOM 0 H VAL B 3 5.608 7.820 -13.557 1.00 0.00 H new ATOM 0 HA VAL B 3 5.454 10.560 -12.327 1.00 0.00 H new ATOM 0 HB VAL B 3 4.785 9.202 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL B 3 2.978 7.777 -11.335 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.071 9.330 -12.199 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.733 7.856 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.053 6.743 -10.406 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.819 6.820 -12.011 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.622 7.558 -10.605 1.00 0.00 H new ATOM 1142 N ASN B 4 7.545 10.399 -10.844 1.00 0.00 N ATOM 1143 CA ASN B 4 8.950 10.503 -10.343 1.00 0.00 C ATOM 1144 C ASN B 4 9.191 9.498 -9.215 1.00 0.00 C ATOM 1145 O ASN B 4 8.404 8.604 -8.989 1.00 0.00 O ATOM 1146 CB ASN B 4 9.087 11.933 -9.819 1.00 0.00 C ATOM 1147 CG ASN B 4 8.441 12.908 -10.804 1.00 0.00 C ATOM 1148 OD1 ASN B 4 8.962 13.141 -11.877 1.00 0.00 O ATOM 1149 ND2 ASN B 4 7.320 13.494 -10.483 1.00 0.00 N ATOM 0 H ASN B 4 6.872 11.006 -10.375 1.00 0.00 H new ATOM 0 HA ASN B 4 9.677 10.284 -11.125 1.00 0.00 H new ATOM 0 HB2 ASN B 4 8.611 12.020 -8.842 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.140 12.182 -9.684 1.00 0.00 H new ATOM 0 HD21 ASN B 4 6.882 14.147 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN B 4 6.882 13.299 -9.583 1.00 0.00 H new ATOM 1156 N LYS B 5 10.276 9.640 -8.504 1.00 0.00 N ATOM 1157 CA LYS B 5 10.574 8.694 -7.394 1.00 0.00 C ATOM 1158 C LYS B 5 9.511 8.806 -6.301 1.00 0.00 C ATOM 1159 O LYS B 5 9.196 7.844 -5.629 1.00 0.00 O ATOM 1160 CB LYS B 5 11.938 9.131 -6.866 1.00 0.00 C ATOM 1161 CG LYS B 5 12.897 9.373 -8.034 1.00 0.00 C ATOM 1162 CD LYS B 5 14.070 8.395 -7.950 1.00 0.00 C ATOM 1163 CE LYS B 5 15.388 9.176 -7.977 1.00 0.00 C ATOM 1164 NZ LYS B 5 16.306 8.415 -7.083 1.00 0.00 N ATOM 0 H LYS B 5 10.971 10.373 -8.645 1.00 0.00 H new ATOM 0 HA LYS B 5 10.576 7.655 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.834 10.041 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.343 8.366 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.372 9.245 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS B 5 13.264 10.399 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.002 7.807 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.033 7.694 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS B 5 15.787 9.241 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.249 10.197 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 17.262 8.819 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 15.965 8.475 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 16.332 7.419 -7.380 1.00 0.00 H new ATOM 1178 N LYS B 6 8.947 9.968 -6.125 1.00 0.00 N ATOM 1179 CA LYS B 6 7.897 10.126 -5.081 1.00 0.00 C ATOM 1180 C LYS B 6 6.557 9.662 -5.635 1.00 0.00 C ATOM 1181 O LYS B 6 5.937 8.759 -5.112 1.00 0.00 O ATOM 1182 CB LYS B 6 7.857 11.621 -4.758 1.00 0.00 C ATOM 1183 CG LYS B 6 9.282 12.153 -4.609 1.00 0.00 C ATOM 1184 CD LYS B 6 9.435 12.825 -3.242 1.00 0.00 C ATOM 1185 CE LYS B 6 9.832 14.291 -3.431 1.00 0.00 C ATOM 1186 NZ LYS B 6 8.641 15.073 -2.995 1.00 0.00 N ATOM 0 H LYS B 6 9.166 10.811 -6.656 1.00 0.00 H new ATOM 0 HA LYS B 6 8.107 9.535 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.338 12.160 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS B 6 7.297 11.789 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS B 6 9.998 11.337 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS B 6 9.500 12.867 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS B 6 8.499 12.760 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS B 6 10.191 12.306 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS B 6 10.709 14.542 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS B 6 10.083 14.501 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 8.837 16.089 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 7.823 14.818 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 8.430 14.858 -2.000 1.00 0.00 H new ATOM 1200 N GLN B 7 6.108 10.263 -6.698 1.00 0.00 N ATOM 1201 CA GLN B 7 4.813 9.835 -7.281 1.00 0.00 C ATOM 1202 C GLN B 7 4.826 8.320 -7.482 1.00 0.00 C ATOM 1203 O GLN B 7 3.842 7.658 -7.264 1.00 0.00 O ATOM 1204 CB GLN B 7 4.706 10.561 -8.619 1.00 0.00 C ATOM 1205 CG GLN B 7 4.517 12.057 -8.378 1.00 0.00 C ATOM 1206 CD GLN B 7 3.059 12.332 -8.005 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.198 12.366 -8.862 1.00 0.00 O ATOM 1208 NE2 GLN B 7 2.743 12.532 -6.755 1.00 0.00 N ATOM 0 H GLN B 7 6.578 11.026 -7.184 1.00 0.00 H new ATOM 0 HA GLN B 7 3.965 10.072 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.605 10.389 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN B 7 3.867 10.166 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.178 12.394 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN B 7 4.787 12.618 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.465 12.504 -6.035 1.00 0.00 H new ATOM 0 HE22 GLN B 7 1.774 12.717 -6.497 1.00 0.00 H new ATOM 1217 N LEU B 8 5.942 7.760 -7.872 1.00 0.00 N ATOM 1218 CA LEU B 8 6.000 6.280 -8.056 1.00 0.00 C ATOM 1219 C LEU B 8 5.787 5.611 -6.703 1.00 0.00 C ATOM 1220 O LEU B 8 4.870 4.836 -6.517 1.00 0.00 O ATOM 1221 CB LEU B 8 7.412 5.988 -8.578 1.00 0.00 C ATOM 1222 CG LEU B 8 7.488 4.575 -9.175 1.00 0.00 C ATOM 1223 CD1 LEU B 8 8.952 4.144 -9.256 1.00 0.00 C ATOM 1224 CD2 LEU B 8 6.724 3.579 -8.297 1.00 0.00 C ATOM 0 H LEU B 8 6.809 8.259 -8.070 1.00 0.00 H new ATOM 0 HA LEU B 8 5.240 5.909 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.685 6.723 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.133 6.084 -7.766 1.00 0.00 H new ATOM 0 HG LEU B 8 7.040 4.588 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU B 8 9.013 3.141 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU B 8 9.502 4.840 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.387 4.143 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU B 8 6.789 2.583 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.161 3.565 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU B 8 5.678 3.879 -8.232 1.00 0.00 H new ATOM 1236 N ALA B 9 6.624 5.914 -5.751 1.00 0.00 N ATOM 1237 CA ALA B 9 6.454 5.299 -4.407 1.00 0.00 C ATOM 1238 C ALA B 9 5.079 5.690 -3.868 1.00 0.00 C ATOM 1239 O ALA B 9 4.455 4.959 -3.122 1.00 0.00 O ATOM 1240 CB ALA B 9 7.571 5.887 -3.544 1.00 0.00 C ATOM 0 H ALA B 9 7.412 6.555 -5.844 1.00 0.00 H new ATOM 0 HA ALA B 9 6.511 4.211 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.507 5.476 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.538 5.633 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.466 6.971 -3.502 1.00 0.00 H new ATOM 1246 N ASP B 10 4.597 6.838 -4.265 1.00 0.00 N ATOM 1247 CA ASP B 10 3.252 7.290 -3.809 1.00 0.00 C ATOM 1248 C ASP B 10 2.167 6.519 -4.567 1.00 0.00 C ATOM 1249 O ASP B 10 1.302 5.905 -3.974 1.00 0.00 O ATOM 1250 CB ASP B 10 3.194 8.778 -4.151 1.00 0.00 C ATOM 1251 CG ASP B 10 1.982 9.414 -3.468 1.00 0.00 C ATOM 1252 OD1 ASP B 10 1.638 8.971 -2.384 1.00 0.00 O ATOM 1253 OD2 ASP B 10 1.420 10.333 -4.040 1.00 0.00 O ATOM 0 H ASP B 10 5.080 7.484 -4.889 1.00 0.00 H new ATOM 0 HA ASP B 10 3.090 7.116 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP B 10 4.109 9.272 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP B 10 3.127 8.911 -5.231 1.00 0.00 H new ATOM 1258 N ILE B 11 2.217 6.525 -5.875 1.00 0.00 N ATOM 1259 CA ILE B 11 1.197 5.769 -6.655 1.00 0.00 C ATOM 1260 C ILE B 11 1.154 4.332 -6.142 1.00 0.00 C ATOM 1261 O ILE B 11 0.166 3.638 -6.266 1.00 0.00 O ATOM 1262 CB ILE B 11 1.664 5.858 -8.123 1.00 0.00 C ATOM 1263 CG1 ILE B 11 0.485 6.208 -8.995 1.00 0.00 C ATOM 1264 CG2 ILE B 11 2.218 4.533 -8.628 1.00 0.00 C ATOM 1265 CD1 ILE B 11 0.994 6.619 -10.376 1.00 0.00 C ATOM 0 H ILE B 11 2.916 7.018 -6.431 1.00 0.00 H new ATOM 0 HA ILE B 11 0.186 6.166 -6.558 1.00 0.00 H new ATOM 0 HB ILE B 11 2.447 6.614 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.187 5.354 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.087 7.021 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.534 4.643 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.072 4.239 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.445 3.767 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.148 6.874 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.650 7.484 -10.279 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.548 5.792 -10.821 1.00 0.00 H new ATOM 1277 N PHE B 12 2.232 3.891 -5.560 1.00 0.00 N ATOM 1278 CA PHE B 12 2.281 2.507 -5.025 1.00 0.00 C ATOM 1279 C PHE B 12 2.138 2.526 -3.503 1.00 0.00 C ATOM 1280 O PHE B 12 2.186 1.501 -2.853 1.00 0.00 O ATOM 1281 CB PHE B 12 3.664 1.987 -5.410 1.00 0.00 C ATOM 1282 CG PHE B 12 3.715 1.603 -6.873 1.00 0.00 C ATOM 1283 CD1 PHE B 12 2.683 1.954 -7.756 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.816 0.888 -7.343 1.00 0.00 C ATOM 1285 CE1 PHE B 12 2.765 1.587 -9.106 1.00 0.00 C ATOM 1286 CE2 PHE B 12 4.899 0.520 -8.688 1.00 0.00 C ATOM 1287 CZ PHE B 12 3.873 0.869 -9.570 1.00 0.00 C ATOM 0 H PHE B 12 3.086 4.434 -5.432 1.00 0.00 H new ATOM 0 HA PHE B 12 1.478 1.884 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.413 2.752 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.915 1.123 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE B 12 1.827 2.506 -7.396 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.610 0.617 -6.663 1.00 0.00 H new ATOM 0 HE1 PHE B 12 1.973 1.858 -9.788 1.00 0.00 H new ATOM 0 HE2 PHE B 12 5.755 -0.033 -9.046 1.00 0.00 H new ATOM 0 HZ PHE B 12 3.935 0.585 -10.610 1.00 0.00 H new ATOM 1297 N GLY B 13 1.979 3.684 -2.927 1.00 0.00 N ATOM 1298 CA GLY B 13 1.853 3.762 -1.448 1.00 0.00 C ATOM 1299 C GLY B 13 3.102 3.150 -0.818 1.00 0.00 C ATOM 1300 O GLY B 13 3.120 2.810 0.349 1.00 0.00 O ATOM 0 H GLY B 13 1.931 4.578 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.740 4.799 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.962 3.229 -1.116 1.00 0.00 H new ATOM 1304 N ALA B 14 4.149 3.006 -1.585 1.00 0.00 N ATOM 1305 CA ALA B 14 5.398 2.416 -1.035 1.00 0.00 C ATOM 1306 C ALA B 14 6.300 3.516 -0.488 1.00 0.00 C ATOM 1307 O ALA B 14 5.894 4.647 -0.309 1.00 0.00 O ATOM 1308 CB ALA B 14 6.096 1.740 -2.222 1.00 0.00 C ATOM 0 H ALA B 14 4.191 3.272 -2.569 1.00 0.00 H new ATOM 0 HA ALA B 14 5.185 1.717 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.027 1.284 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.444 0.971 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.314 2.484 -2.988 1.00 0.00 H new ATOM 1314 N SER B 15 7.536 3.192 -0.265 1.00 0.00 N ATOM 1315 CA SER B 15 8.503 4.202 0.222 1.00 0.00 C ATOM 1316 C SER B 15 9.538 4.411 -0.872 1.00 0.00 C ATOM 1317 O SER B 15 10.003 3.473 -1.484 1.00 0.00 O ATOM 1318 CB SER B 15 9.126 3.601 1.469 1.00 0.00 C ATOM 1319 OG SER B 15 8.188 3.652 2.536 1.00 0.00 O ATOM 0 H SER B 15 7.922 2.258 -0.401 1.00 0.00 H new ATOM 0 HA SER B 15 8.053 5.167 0.455 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.423 2.569 1.280 1.00 0.00 H new ATOM 0 HB3 SER B 15 10.029 4.148 1.738 1.00 0.00 H new ATOM 0 HG SER B 15 8.588 3.263 3.342 1.00 0.00 H new ATOM 1325 N ILE B 16 9.882 5.624 -1.147 1.00 0.00 N ATOM 1326 CA ILE B 16 10.865 5.864 -2.238 1.00 0.00 C ATOM 1327 C ILE B 16 12.092 4.984 -2.033 1.00 0.00 C ATOM 1328 O ILE B 16 12.660 4.469 -2.975 1.00 0.00 O ATOM 1329 CB ILE B 16 11.239 7.345 -2.178 1.00 0.00 C ATOM 1330 CG1 ILE B 16 9.981 8.185 -1.861 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.827 7.736 -3.533 1.00 0.00 C ATOM 1332 CD1 ILE B 16 9.924 9.449 -2.720 1.00 0.00 C ATOM 0 H ILE B 16 9.534 6.458 -0.674 1.00 0.00 H new ATOM 0 HA ILE B 16 10.446 5.617 -3.214 1.00 0.00 H new ATOM 0 HB ILE B 16 11.973 7.529 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.088 7.585 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.981 8.460 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.103 8.790 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.711 7.132 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.086 7.566 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE B 16 9.027 10.017 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE B 16 10.806 10.060 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE B 16 9.898 9.172 -3.774 1.00 0.00 H new ATOM 1344 N ARG B 17 12.495 4.781 -0.812 1.00 0.00 N ATOM 1345 CA ARG B 17 13.668 3.907 -0.576 1.00 0.00 C ATOM 1346 C ARG B 17 13.402 2.571 -1.278 1.00 0.00 C ATOM 1347 O ARG B 17 14.293 1.940 -1.806 1.00 0.00 O ATOM 1348 CB ARG B 17 13.761 3.798 0.951 1.00 0.00 C ATOM 1349 CG ARG B 17 13.216 2.467 1.444 1.00 0.00 C ATOM 1350 CD ARG B 17 11.702 2.530 1.367 1.00 0.00 C ATOM 1351 NE ARG B 17 11.248 2.687 2.779 1.00 0.00 N ATOM 1352 CZ ARG B 17 11.784 3.599 3.548 1.00 0.00 C ATOM 1353 NH1 ARG B 17 11.873 4.837 3.138 1.00 0.00 N ATOM 1354 NH2 ARG B 17 12.237 3.270 4.725 1.00 0.00 N ATOM 0 H ARG B 17 12.066 5.179 0.024 1.00 0.00 H new ATOM 0 HA ARG B 17 14.614 4.276 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.800 3.906 1.263 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.204 4.614 1.411 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.596 1.648 0.833 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.539 2.277 2.468 1.00 0.00 H new ATOM 0 HD2 ARG B 17 11.373 3.367 0.752 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.292 1.625 0.919 1.00 0.00 H new ATOM 0 HE ARG B 17 10.516 2.080 3.147 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.524 5.095 2.215 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.292 5.545 3.741 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.173 2.303 5.044 1.00 0.00 H new ATOM 0 HH22 ARG B 17 12.656 3.979 5.327 1.00 0.00 H new ATOM 1368 N THR B 18 12.155 2.179 -1.336 1.00 0.00 N ATOM 1369 CA THR B 18 11.797 0.929 -2.062 1.00 0.00 C ATOM 1370 C THR B 18 11.984 1.224 -3.541 1.00 0.00 C ATOM 1371 O THR B 18 12.483 0.417 -4.298 1.00 0.00 O ATOM 1372 CB THR B 18 10.319 0.666 -1.748 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.145 0.518 -0.347 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.852 -0.610 -2.456 1.00 0.00 C ATOM 0 H THR B 18 11.370 2.673 -0.911 1.00 0.00 H new ATOM 0 HA THR B 18 12.399 0.065 -1.780 1.00 0.00 H new ATOM 0 HB THR B 18 9.727 1.511 -2.101 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.199 0.352 -0.151 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.801 -0.789 -2.227 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.975 -0.494 -3.533 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.447 -1.456 -2.112 1.00 0.00 H new ATOM 1382 N ILE B 19 11.617 2.414 -3.940 1.00 0.00 N ATOM 1383 CA ILE B 19 11.805 2.809 -5.353 1.00 0.00 C ATOM 1384 C ILE B 19 13.301 2.903 -5.620 1.00 0.00 C ATOM 1385 O ILE B 19 13.778 2.607 -6.697 1.00 0.00 O ATOM 1386 CB ILE B 19 11.155 4.183 -5.485 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.727 4.135 -4.940 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.123 4.581 -6.959 1.00 0.00 C ATOM 1389 CD1 ILE B 19 8.980 2.965 -5.577 1.00 0.00 C ATOM 0 H ILE B 19 11.195 3.125 -3.342 1.00 0.00 H new ATOM 0 HA ILE B 19 11.368 2.102 -6.058 1.00 0.00 H new ATOM 0 HB ILE B 19 11.730 4.914 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.743 4.023 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.212 5.071 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.660 5.562 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.141 4.618 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.546 3.847 -7.522 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.962 2.929 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE B 19 8.952 3.097 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.492 2.033 -5.338 1.00 0.00 H new ATOM 1401 N GLN B 20 14.045 3.288 -4.617 1.00 0.00 N ATOM 1402 CA GLN B 20 15.516 3.378 -4.769 1.00 0.00 C ATOM 1403 C GLN B 20 16.063 1.962 -4.843 1.00 0.00 C ATOM 1404 O GLN B 20 17.127 1.714 -5.375 1.00 0.00 O ATOM 1405 CB GLN B 20 16.008 4.083 -3.505 1.00 0.00 C ATOM 1406 CG GLN B 20 15.590 5.553 -3.540 1.00 0.00 C ATOM 1407 CD GLN B 20 16.838 6.436 -3.557 1.00 0.00 C ATOM 1408 OE1 GLN B 20 16.879 7.439 -4.241 1.00 0.00 O ATOM 1409 NE2 GLN B 20 17.866 6.102 -2.826 1.00 0.00 N ATOM 0 H GLN B 20 13.689 3.544 -3.696 1.00 0.00 H new ATOM 0 HA GLN B 20 15.832 3.917 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.593 3.598 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.093 4.005 -3.432 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.981 5.748 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.976 5.789 -2.671 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.831 5.260 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.704 6.683 -2.829 1.00 0.00 H new ATOM 1418 N ASN B 21 15.319 1.024 -4.321 1.00 0.00 N ATOM 1419 CA ASN B 21 15.769 -0.386 -4.369 1.00 0.00 C ATOM 1420 C ASN B 21 15.347 -0.995 -5.698 1.00 0.00 C ATOM 1421 O ASN B 21 16.002 -1.864 -6.238 1.00 0.00 O ATOM 1422 CB ASN B 21 15.067 -1.076 -3.200 1.00 0.00 C ATOM 1423 CG ASN B 21 15.526 -2.533 -3.120 1.00 0.00 C ATOM 1424 OD1 ASN B 21 14.870 -3.418 -3.630 1.00 0.00 O ATOM 1425 ND2 ASN B 21 16.637 -2.820 -2.498 1.00 0.00 N ATOM 0 H ASN B 21 14.420 1.179 -3.865 1.00 0.00 H new ATOM 0 HA ASN B 21 16.851 -0.490 -4.290 1.00 0.00 H new ATOM 0 HB2 ASN B 21 15.296 -0.559 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN B 21 13.986 -1.030 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN B 21 16.954 -3.788 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN B 21 17.188 -2.076 -2.069 1.00 0.00 H new ATOM 1432 N TRP B 22 14.262 -0.522 -6.239 1.00 0.00 N ATOM 1433 CA TRP B 22 13.797 -1.042 -7.547 1.00 0.00 C ATOM 1434 C TRP B 22 14.732 -0.548 -8.640 1.00 0.00 C ATOM 1435 O TRP B 22 15.196 -1.304 -9.471 1.00 0.00 O ATOM 1436 CB TRP B 22 12.417 -0.431 -7.748 1.00 0.00 C ATOM 1437 CG TRP B 22 11.461 -1.017 -6.771 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.789 -1.847 -5.759 1.00 0.00 C ATOM 1439 CD2 TRP B 22 10.024 -0.839 -6.709 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.637 -2.187 -5.075 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.523 -1.590 -5.624 1.00 0.00 C ATOM 1442 CE3 TRP B 22 9.118 -0.103 -7.484 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 8.166 -1.611 -5.317 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.751 -0.119 -7.180 1.00 0.00 C ATOM 1445 CH2 TRP B 22 7.275 -0.873 -6.096 1.00 0.00 C ATOM 0 H TRP B 22 13.676 0.205 -5.828 1.00 0.00 H new ATOM 0 HA TRP B 22 13.775 -2.131 -7.579 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.466 0.650 -7.620 1.00 0.00 H new ATOM 0 HB3 TRP B 22 12.072 -0.616 -8.765 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.786 -2.189 -5.523 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.614 -2.804 -4.263 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.476 0.480 -8.320 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.806 -2.194 -4.482 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.060 0.452 -7.783 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.220 -0.882 -5.865 1.00 0.00 H new ATOM 1456 N GLN B 23 15.002 0.726 -8.647 1.00 0.00 N ATOM 1457 CA GLN B 23 15.893 1.282 -9.690 1.00 0.00 C ATOM 1458 C GLN B 23 17.173 0.458 -9.749 1.00 0.00 C ATOM 1459 O GLN B 23 17.865 0.435 -10.748 1.00 0.00 O ATOM 1460 CB GLN B 23 16.196 2.715 -9.253 1.00 0.00 C ATOM 1461 CG GLN B 23 16.658 2.719 -7.797 1.00 0.00 C ATOM 1462 CD GLN B 23 17.685 3.833 -7.593 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.863 3.638 -7.819 1.00 0.00 O ATOM 1464 NE2 GLN B 23 17.286 5.003 -7.174 1.00 0.00 N ATOM 0 H GLN B 23 14.642 1.403 -7.974 1.00 0.00 H new ATOM 0 HA GLN B 23 15.439 1.260 -10.681 1.00 0.00 H new ATOM 0 HB2 GLN B 23 16.968 3.145 -9.891 1.00 0.00 H new ATOM 0 HB3 GLN B 23 15.307 3.336 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN B 23 15.806 2.869 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN B 23 17.096 1.754 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN B 23 16.297 5.167 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN B 23 17.963 5.753 -7.036 1.00 0.00 H new ATOM 1473 N GLU B 24 17.495 -0.225 -8.684 1.00 0.00 N ATOM 1474 CA GLU B 24 18.734 -1.049 -8.692 1.00 0.00 C ATOM 1475 C GLU B 24 18.382 -2.536 -8.674 1.00 0.00 C ATOM 1476 O GLU B 24 19.185 -3.365 -8.293 1.00 0.00 O ATOM 1477 CB GLU B 24 19.489 -0.657 -7.420 1.00 0.00 C ATOM 1478 CG GLU B 24 19.724 0.855 -7.407 1.00 0.00 C ATOM 1479 CD GLU B 24 21.209 1.145 -7.636 1.00 0.00 C ATOM 1480 OE1 GLU B 24 22.023 0.344 -7.206 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.507 2.164 -8.238 1.00 0.00 O ATOM 0 H GLU B 24 16.958 -0.248 -7.817 1.00 0.00 H new ATOM 0 HA GLU B 24 19.334 -0.877 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.918 -0.954 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU B 24 20.442 -1.184 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.126 1.333 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.404 1.275 -6.453 1.00 0.00 H new ATOM 1488 N GLN B 25 17.195 -2.886 -9.085 1.00 0.00 N ATOM 1489 CA GLN B 25 16.815 -4.321 -9.089 1.00 0.00 C ATOM 1490 C GLN B 25 16.234 -4.708 -10.461 1.00 0.00 C ATOM 1491 O GLN B 25 15.662 -5.768 -10.625 1.00 0.00 O ATOM 1492 CB GLN B 25 15.802 -4.454 -7.940 1.00 0.00 C ATOM 1493 CG GLN B 25 14.500 -5.063 -8.439 1.00 0.00 C ATOM 1494 CD GLN B 25 13.460 -5.046 -7.318 1.00 0.00 C ATOM 1495 OE1 GLN B 25 12.718 -4.095 -7.175 1.00 0.00 O ATOM 1496 NE2 GLN B 25 13.376 -6.068 -6.511 1.00 0.00 N ATOM 0 H GLN B 25 16.477 -2.242 -9.416 1.00 0.00 H new ATOM 0 HA GLN B 25 17.655 -4.998 -8.937 1.00 0.00 H new ATOM 0 HB2 GLN B 25 16.221 -5.076 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN B 25 15.608 -3.474 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN B 25 14.131 -4.503 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN B 25 14.671 -6.086 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN B 25 14.000 -6.866 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN B 25 12.687 -6.069 -5.759 1.00 0.00 H new ATOM 1505 N GLY B 26 16.400 -3.867 -11.450 1.00 0.00 N ATOM 1506 CA GLY B 26 15.883 -4.198 -12.813 1.00 0.00 C ATOM 1507 C GLY B 26 14.541 -3.505 -13.066 1.00 0.00 C ATOM 1508 O GLY B 26 13.732 -3.974 -13.843 1.00 0.00 O ATOM 0 H GLY B 26 16.871 -2.966 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.606 -3.887 -13.567 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.765 -5.277 -12.910 1.00 0.00 H new ATOM 1512 N MET B 27 14.286 -2.401 -12.420 1.00 0.00 N ATOM 1513 CA MET B 27 12.985 -1.698 -12.630 1.00 0.00 C ATOM 1514 C MET B 27 13.096 -0.644 -13.742 1.00 0.00 C ATOM 1515 O MET B 27 14.166 -0.141 -14.020 1.00 0.00 O ATOM 1516 CB MET B 27 12.676 -1.039 -11.283 1.00 0.00 C ATOM 1517 CG MET B 27 13.318 0.349 -11.222 1.00 0.00 C ATOM 1518 SD MET B 27 12.189 1.553 -11.942 1.00 0.00 S ATOM 1519 CE MET B 27 11.264 1.863 -10.424 1.00 0.00 C ATOM 0 H MET B 27 14.919 -1.954 -11.757 1.00 0.00 H new ATOM 0 HA MET B 27 12.198 -2.383 -12.945 1.00 0.00 H new ATOM 0 HB2 MET B 27 11.598 -0.957 -11.148 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.053 -1.659 -10.470 1.00 0.00 H new ATOM 0 HG2 MET B 27 13.542 0.615 -10.189 1.00 0.00 H new ATOM 0 HG3 MET B 27 14.264 0.350 -11.764 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.326 2.364 -10.665 1.00 0.00 H new ATOM 0 HE2 MET B 27 11.053 0.916 -9.927 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.854 2.497 -9.762 1.00 0.00 H new ATOM 1529 N PRO B 28 11.968 -0.344 -14.332 1.00 0.00 N ATOM 1530 CA PRO B 28 11.912 0.661 -15.410 1.00 0.00 C ATOM 1531 C PRO B 28 11.769 2.073 -14.836 1.00 0.00 C ATOM 1532 O PRO B 28 10.688 2.532 -14.488 1.00 0.00 O ATOM 1533 CB PRO B 28 10.683 0.251 -16.208 1.00 0.00 C ATOM 1534 CG PRO B 28 9.809 -0.505 -15.248 1.00 0.00 C ATOM 1535 CD PRO B 28 10.651 -0.917 -14.060 1.00 0.00 C ATOM 0 HA PRO B 28 12.816 0.691 -16.019 1.00 0.00 H new ATOM 0 HB2 PRO B 28 10.165 1.124 -16.605 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.959 -0.371 -17.060 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.975 0.117 -14.924 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.383 -1.383 -15.734 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.236 -0.535 -13.127 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.701 -2.002 -13.966 1.00 0.00 H new ATOM 1543 N VAL B 29 12.868 2.768 -14.776 1.00 0.00 N ATOM 1544 CA VAL B 29 12.879 4.179 -14.254 1.00 0.00 C ATOM 1545 C VAL B 29 12.595 5.109 -15.402 1.00 0.00 C ATOM 1546 O VAL B 29 13.193 6.154 -15.535 1.00 0.00 O ATOM 1547 CB VAL B 29 14.287 4.479 -13.746 1.00 0.00 C ATOM 1548 CG1 VAL B 29 14.240 5.042 -12.342 1.00 0.00 C ATOM 1549 CG2 VAL B 29 15.088 3.217 -13.718 1.00 0.00 C ATOM 0 H VAL B 29 13.780 2.419 -15.070 1.00 0.00 H new ATOM 0 HA VAL B 29 12.140 4.304 -13.463 1.00 0.00 H new ATOM 0 HB VAL B 29 14.743 5.209 -14.416 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.254 5.249 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.661 5.965 -12.339 1.00 0.00 H new ATOM 0 HG13 VAL B 29 13.772 4.318 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL B 29 16.093 3.432 -13.355 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.609 2.497 -13.055 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.147 2.801 -14.724 1.00 0.00 H new ATOM 1559 N LEU B 30 11.651 4.745 -16.170 1.00 0.00 N ATOM 1560 CA LEU B 30 11.184 5.549 -17.342 1.00 0.00 C ATOM 1561 C LEU B 30 12.296 6.147 -18.224 1.00 0.00 C ATOM 1562 O LEU B 30 12.045 6.537 -19.347 1.00 0.00 O ATOM 1563 CB LEU B 30 10.414 6.663 -16.677 1.00 0.00 C ATOM 1564 CG LEU B 30 9.302 7.140 -17.580 1.00 0.00 C ATOM 1565 CD1 LEU B 30 9.890 7.910 -18.760 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.495 5.936 -18.071 1.00 0.00 C ATOM 0 H LEU B 30 11.138 3.872 -16.044 1.00 0.00 H new ATOM 0 HA LEU B 30 10.626 4.921 -18.036 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.000 6.314 -15.731 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.085 7.491 -16.446 1.00 0.00 H new ATOM 0 HG LEU B 30 8.640 7.807 -17.028 1.00 0.00 H new ATOM 0 HD11 LEU B 30 9.084 8.252 -19.409 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.449 8.770 -18.391 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.558 7.258 -19.324 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.691 6.278 -18.723 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.148 5.261 -18.624 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.070 5.410 -17.216 1.00 0.00 H new ATOM 1697 N LEU B 40 12.841 8.705 -14.359 1.00 0.00 N ATOM 1698 CA LEU B 40 11.383 8.740 -14.035 1.00 0.00 C ATOM 1699 C LEU B 40 10.870 7.313 -13.875 1.00 0.00 C ATOM 1700 O LEU B 40 11.622 6.374 -13.830 1.00 0.00 O ATOM 1701 CB LEU B 40 10.721 9.394 -15.252 1.00 0.00 C ATOM 1702 CG LEU B 40 10.328 10.828 -14.923 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.098 10.819 -14.015 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.499 11.517 -14.221 1.00 0.00 C ATOM 0 HA LEU B 40 11.172 9.282 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.406 9.381 -16.100 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.839 8.825 -15.546 1.00 0.00 H new ATOM 0 HG LEU B 40 10.088 11.371 -15.837 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.814 11.844 -13.777 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.273 10.323 -14.525 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.330 10.284 -13.094 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.226 12.545 -13.982 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.738 10.982 -13.302 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.369 11.516 -14.878 1.00 0.00 H new ATOM 1716 N TYR B 41 9.599 7.122 -13.806 1.00 0.00 N ATOM 1717 CA TYR B 41 9.105 5.728 -13.686 1.00 0.00 C ATOM 1718 C TYR B 41 7.848 5.529 -14.516 1.00 0.00 C ATOM 1719 O TYR B 41 6.814 6.102 -14.235 1.00 0.00 O ATOM 1720 CB TYR B 41 8.789 5.522 -12.220 1.00 0.00 C ATOM 1721 CG TYR B 41 10.060 5.560 -11.421 1.00 0.00 C ATOM 1722 CD1 TYR B 41 10.960 4.490 -11.486 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.334 6.654 -10.597 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.118 4.517 -10.730 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.502 6.676 -9.837 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.396 5.605 -9.899 1.00 0.00 C ATOM 1727 OH TYR B 41 13.555 5.625 -9.149 1.00 0.00 O ATOM 0 H TYR B 41 8.885 7.850 -13.826 1.00 0.00 H new ATOM 0 HA TYR B 41 9.848 5.017 -14.047 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.106 6.297 -11.872 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.286 4.566 -12.077 1.00 0.00 H new ATOM 0 HD1 TYR B 41 10.751 3.645 -12.125 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.642 7.482 -10.549 1.00 0.00 H new ATOM 0 HE1 TYR B 41 12.812 3.691 -10.783 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.716 7.522 -9.200 1.00 0.00 H new ATOM 0 HH TYR B 41 14.327 5.740 -9.742 1.00 0.00 H new ATOM 1737 N ASP B 42 7.912 4.703 -15.519 1.00 0.00 N ATOM 1738 CA ASP B 42 6.673 4.469 -16.324 1.00 0.00 C ATOM 1739 C ASP B 42 5.640 3.851 -15.398 1.00 0.00 C ATOM 1740 O ASP B 42 5.526 2.646 -15.284 1.00 0.00 O ATOM 1741 CB ASP B 42 7.009 3.522 -17.494 1.00 0.00 C ATOM 1742 CG ASP B 42 8.319 2.770 -17.252 1.00 0.00 C ATOM 1743 OD1 ASP B 42 8.514 2.307 -16.142 1.00 0.00 O ATOM 1744 OD2 ASP B 42 9.105 2.672 -18.181 1.00 0.00 O ATOM 0 H ASP B 42 8.742 4.189 -15.815 1.00 0.00 H new ATOM 0 HA ASP B 42 6.281 5.396 -16.741 1.00 0.00 H new ATOM 0 HB2 ASP B 42 6.198 2.807 -17.628 1.00 0.00 H new ATOM 0 HB3 ASP B 42 7.084 4.096 -18.418 1.00 0.00 H new ATOM 1749 N SER B 43 4.919 4.691 -14.710 1.00 0.00 N ATOM 1750 CA SER B 43 3.897 4.222 -13.739 1.00 0.00 C ATOM 1751 C SER B 43 3.272 2.900 -14.173 1.00 0.00 C ATOM 1752 O SER B 43 2.938 2.083 -13.350 1.00 0.00 O ATOM 1753 CB SER B 43 2.847 5.327 -13.722 1.00 0.00 C ATOM 1754 OG SER B 43 1.819 5.005 -14.647 1.00 0.00 O ATOM 0 H SER B 43 4.999 5.705 -14.783 1.00 0.00 H new ATOM 0 HA SER B 43 4.332 4.038 -12.757 1.00 0.00 H new ATOM 0 HB2 SER B 43 2.431 5.435 -12.720 1.00 0.00 H new ATOM 0 HB3 SER B 43 3.302 6.282 -13.983 1.00 0.00 H new ATOM 0 HG SER B 43 1.522 4.083 -14.498 1.00 0.00 H new ATOM 1760 N ALA B 44 3.111 2.671 -15.445 1.00 0.00 N ATOM 1761 CA ALA B 44 2.491 1.376 -15.870 1.00 0.00 C ATOM 1762 C ALA B 44 3.560 0.310 -16.075 1.00 0.00 C ATOM 1763 O ALA B 44 3.361 -0.845 -15.762 1.00 0.00 O ATOM 1764 CB ALA B 44 1.754 1.662 -17.173 1.00 0.00 C ATOM 0 H ALA B 44 3.374 3.306 -16.199 1.00 0.00 H new ATOM 0 HA ALA B 44 1.809 0.996 -15.109 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.280 0.748 -17.531 1.00 0.00 H new ATOM 0 HB2 ALA B 44 0.992 2.422 -17.001 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.462 2.020 -17.920 1.00 0.00 H new ATOM 1770 N ALA B 45 4.700 0.677 -16.574 1.00 0.00 N ATOM 1771 CA ALA B 45 5.761 -0.345 -16.750 1.00 0.00 C ATOM 1772 C ALA B 45 6.353 -0.638 -15.378 1.00 0.00 C ATOM 1773 O ALA B 45 6.833 -1.720 -15.103 1.00 0.00 O ATOM 1774 CB ALA B 45 6.806 0.277 -17.669 1.00 0.00 C ATOM 0 H ALA B 45 4.942 1.624 -16.864 1.00 0.00 H new ATOM 0 HA ALA B 45 5.391 -1.276 -17.179 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.615 -0.435 -17.834 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.346 0.531 -18.624 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.206 1.180 -17.207 1.00 0.00 H new ATOM 1780 N VAL B 46 6.300 0.336 -14.512 1.00 0.00 N ATOM 1781 CA VAL B 46 6.833 0.152 -13.138 1.00 0.00 C ATOM 1782 C VAL B 46 5.962 -0.848 -12.380 1.00 0.00 C ATOM 1783 O VAL B 46 6.402 -1.467 -11.434 1.00 0.00 O ATOM 1784 CB VAL B 46 6.748 1.535 -12.489 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.057 1.429 -10.995 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.762 2.477 -13.142 1.00 0.00 C ATOM 0 H VAL B 46 5.907 1.258 -14.701 1.00 0.00 H new ATOM 0 HA VAL B 46 7.852 -0.234 -13.133 1.00 0.00 H new ATOM 0 HB VAL B 46 5.740 1.927 -12.627 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.995 2.417 -10.540 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.335 0.765 -10.520 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.062 1.029 -10.859 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.697 3.460 -12.676 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.768 2.078 -13.009 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.544 2.565 -14.206 1.00 0.00 H new ATOM 1796 N ILE B 47 4.727 -1.020 -12.786 1.00 0.00 N ATOM 1797 CA ILE B 47 3.855 -2.002 -12.057 1.00 0.00 C ATOM 1798 C ILE B 47 3.930 -3.381 -12.694 1.00 0.00 C ATOM 1799 O ILE B 47 4.266 -4.346 -12.038 1.00 0.00 O ATOM 1800 CB ILE B 47 2.409 -1.496 -12.071 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.214 -0.348 -13.051 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.085 -1.014 -10.677 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.886 0.363 -12.772 1.00 0.00 C ATOM 0 H ILE B 47 4.290 -0.537 -13.571 1.00 0.00 H new ATOM 0 HA ILE B 47 4.208 -2.089 -11.030 1.00 0.00 H new ATOM 0 HB ILE B 47 1.753 -2.307 -12.386 1.00 0.00 H new ATOM 0 HG12 ILE B 47 3.039 0.359 -12.964 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.225 -0.726 -14.073 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.060 -0.645 -10.649 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.194 -1.839 -9.972 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.768 -0.210 -10.402 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.757 1.183 -13.479 1.00 0.00 H new ATOM 0 HD12 ILE B 47 0.064 -0.345 -12.882 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.891 0.758 -11.756 1.00 0.00 H new ATOM 1815 N LYS B 48 3.631 -3.496 -13.956 1.00 0.00 N ATOM 1816 CA LYS B 48 3.712 -4.831 -14.598 1.00 0.00 C ATOM 1817 C LYS B 48 5.030 -5.483 -14.160 1.00 0.00 C ATOM 1818 O LYS B 48 5.151 -6.690 -14.044 1.00 0.00 O ATOM 1819 CB LYS B 48 3.682 -4.535 -16.108 1.00 0.00 C ATOM 1820 CG LYS B 48 4.469 -5.598 -16.889 1.00 0.00 C ATOM 1821 CD LYS B 48 4.718 -5.103 -18.316 1.00 0.00 C ATOM 1822 CE LYS B 48 3.380 -4.828 -19.007 1.00 0.00 C ATOM 1823 NZ LYS B 48 3.706 -4.700 -20.458 1.00 0.00 N ATOM 0 H LYS B 48 3.337 -2.731 -14.564 1.00 0.00 H new ATOM 0 HA LYS B 48 2.907 -5.515 -14.328 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.650 -4.511 -16.458 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.106 -3.549 -16.298 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.418 -5.801 -16.392 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.913 -6.535 -16.910 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.322 -4.196 -18.296 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.282 -5.849 -18.877 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.673 -5.639 -18.833 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.920 -3.917 -18.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.835 -4.511 -20.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 4.375 -3.916 -20.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.135 -5.585 -20.797 1.00 0.00 H new ATOM 1837 N TRP B 49 6.007 -4.659 -13.890 1.00 0.00 N ATOM 1838 CA TRP B 49 7.335 -5.152 -13.432 1.00 0.00 C ATOM 1839 C TRP B 49 7.345 -5.287 -11.900 1.00 0.00 C ATOM 1840 O TRP B 49 8.074 -6.085 -11.344 1.00 0.00 O ATOM 1841 CB TRP B 49 8.306 -4.064 -13.898 1.00 0.00 C ATOM 1842 CG TRP B 49 9.571 -4.115 -13.107 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.746 -4.605 -13.563 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.817 -3.666 -11.742 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.699 -4.478 -12.569 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.174 -3.909 -11.429 1.00 0.00 C ATOM 1847 CE3 TRP B 49 9.004 -3.076 -10.754 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.709 -3.582 -10.187 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.542 -2.748 -9.498 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.892 -3.001 -9.218 1.00 0.00 C ATOM 0 H TRP B 49 5.937 -3.645 -13.970 1.00 0.00 H new ATOM 0 HA TRP B 49 7.594 -6.134 -13.827 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.527 -4.196 -14.957 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.842 -3.084 -13.789 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.913 -5.027 -14.543 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.671 -4.770 -12.668 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.964 -2.875 -10.963 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.750 -3.777 -9.975 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.912 -2.299 -8.745 1.00 0.00 H new ATOM 0 HH2 TRP B 49 11.300 -2.746 -8.251 1.00 0.00 H new ATOM 1861 N TYR B 50 6.536 -4.516 -11.217 1.00 0.00 N ATOM 1862 CA TYR B 50 6.491 -4.599 -9.728 1.00 0.00 C ATOM 1863 C TYR B 50 5.468 -5.654 -9.299 1.00 0.00 C ATOM 1864 O TYR B 50 5.637 -6.334 -8.305 1.00 0.00 O ATOM 1865 CB TYR B 50 6.060 -3.190 -9.280 1.00 0.00 C ATOM 1866 CG TYR B 50 5.206 -3.268 -8.034 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.818 -3.447 -8.137 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.810 -3.177 -6.783 1.00 0.00 C ATOM 1869 CE1 TYR B 50 3.039 -3.536 -6.973 1.00 0.00 C ATOM 1870 CE2 TYR B 50 5.040 -3.267 -5.621 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.653 -3.448 -5.714 1.00 0.00 C ATOM 1872 OH TYR B 50 2.890 -3.536 -4.568 1.00 0.00 O ATOM 0 H TYR B 50 5.903 -3.831 -11.630 1.00 0.00 H new ATOM 0 HA TYR B 50 7.443 -4.891 -9.285 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.941 -2.578 -9.086 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.503 -2.702 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.351 -3.516 -9.108 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.878 -3.036 -6.711 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.970 -3.672 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.513 -3.197 -4.652 1.00 0.00 H new ATOM 0 HH TYR B 50 3.470 -3.457 -3.782 1.00 0.00 H new ATOM 1882 N ALA B 51 4.410 -5.796 -10.044 1.00 0.00 N ATOM 1883 CA ALA B 51 3.381 -6.803 -9.689 1.00 0.00 C ATOM 1884 C ALA B 51 3.924 -8.192 -9.993 1.00 0.00 C ATOM 1885 O ALA B 51 3.474 -9.186 -9.457 1.00 0.00 O ATOM 1886 CB ALA B 51 2.197 -6.483 -10.598 1.00 0.00 C ATOM 0 H ALA B 51 4.215 -5.255 -10.886 1.00 0.00 H new ATOM 0 HA ALA B 51 3.101 -6.779 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.386 -7.184 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.853 -5.467 -10.404 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.505 -6.569 -11.640 1.00 0.00 H new