USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 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: A 48 LYS NZ :NH3+ -131:sc= 0.199 (180deg=0) USER MOD Set 1.2: B 50 TYR OH : rot 180:sc= -1.11 USER MOD Set 2.1: B 5 LYS NZ :NH3+ 143:sc= -3.41! (180deg=-5.03!) USER MOD Set 2.2: B 41 TYR OH : rot 104:sc= -6.52! USER MOD Set 3.1: B 21 ASN : amide:sc= -2.03! C(o=-5.3!,f=-6.2!) USER MOD Set 3.2: B 25 GLN : amide:sc= -3.28! C(o=-5.3!,f=-7.1!) USER MOD Set 4.1: A 7 GLN :FLIP amide:sc= -0.122 F(o=-6.7,f=-4.7) USER MOD Set 4.2: B 1 MET CE :methyl -132:sc= -4.54! (180deg=-6.91!) USER MOD Set 5.1: A 20 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 5.2: A 21 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 1 MET CE :methyl 177:sc= -3.35! (180deg=-3.63!) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.734 (180deg=0.0604) USER MOD Single : A 4 ASN : amide:sc= -8.86! C(o=-8.9!,f=-22!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 USER MOD Single : A 23 GLN : amide:sc= -2.77! C(o=-2.8!,f=-6.5!) USER MOD Single : A 25 GLN : amide:sc= -0.0621 K(o=-0.062,f=-2.1!) USER MOD Single : A 27 MET CE :methyl -171:sc= -7.04! (180deg=-7.7!) USER MOD Single : A 41 TYR OH : rot 130:sc= -3.41! USER MOD Single : A 43 SER OG : rot -74:sc= -3.61! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -111:sc= 0.294 (180deg=0) USER MOD Single : B 4 ASN :FLIP amide:sc= -0.731 F(o=-1.6,f=-0.73) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= -2.67! USER MOD Single : B 20 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.11) USER MOD Single : B 23 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.9!) USER MOD Single : B 27 MET CE :methyl -179:sc= -8.81! (180deg=-8.83!) USER MOD Single : B 43 SER OG : rot 62:sc= -6.93! USER MOD Single : B 48 LYS NZ :NH3+ -145:sc= 0.123 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.188 7.233 -2.732 1.00 0.00 N ATOM 2 CA MET A 1 -1.635 8.227 -3.750 1.00 0.00 C ATOM 3 C MET A 1 -3.134 8.097 -3.996 1.00 0.00 C ATOM 4 O MET A 1 -3.708 7.032 -3.880 1.00 0.00 O ATOM 5 CB MET A 1 -0.865 7.868 -5.023 1.00 0.00 C ATOM 6 CG MET A 1 -1.401 8.668 -6.214 1.00 0.00 C ATOM 7 SD MET A 1 -0.469 10.211 -6.368 1.00 0.00 S ATOM 8 CE MET A 1 0.651 9.658 -7.676 1.00 0.00 C ATOM 0 H1 MET A 1 -0.253 6.862 -2.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.128 7.693 -1.801 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.871 6.450 -2.688 1.00 0.00 H new ATOM 0 HA MET A 1 -1.448 9.251 -3.428 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.196 8.076 -4.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.957 6.800 -5.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.311 8.083 -7.129 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.461 8.882 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.297 10.483 -7.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.262 8.834 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.070 9.323 -8.535 1.00 0.00 H new ATOM 20 N GLU A 2 -3.764 9.172 -4.360 1.00 0.00 N ATOM 21 CA GLU A 2 -5.219 9.120 -4.650 1.00 0.00 C ATOM 22 C GLU A 2 -5.456 9.661 -6.057 1.00 0.00 C ATOM 23 O GLU A 2 -5.737 10.827 -6.244 1.00 0.00 O ATOM 24 CB GLU A 2 -5.880 10.037 -3.626 1.00 0.00 C ATOM 25 CG GLU A 2 -5.800 9.416 -2.237 1.00 0.00 C ATOM 26 CD GLU A 2 -4.550 9.925 -1.517 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.900 10.808 -2.052 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.266 9.424 -0.442 1.00 0.00 O ATOM 0 H GLU A 2 -3.333 10.090 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.619 8.108 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.388 11.010 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.922 10.207 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.691 9.670 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.770 8.329 -2.315 1.00 0.00 H new ATOM 35 N VAL A 3 -5.335 8.831 -7.046 1.00 0.00 N ATOM 36 CA VAL A 3 -5.545 9.312 -8.434 1.00 0.00 C ATOM 37 C VAL A 3 -7.015 9.169 -8.807 1.00 0.00 C ATOM 38 O VAL A 3 -7.750 8.419 -8.195 1.00 0.00 O ATOM 39 CB VAL A 3 -4.666 8.416 -9.301 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.240 8.389 -8.733 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.241 6.999 -9.315 1.00 0.00 C ATOM 0 H VAL A 3 -5.100 7.842 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.286 10.363 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.640 8.807 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.613 7.748 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.832 9.400 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.261 8.000 -7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.614 6.358 -9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.268 6.607 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.252 7.020 -9.723 1.00 0.00 H new ATOM 51 N ASN A 4 -7.456 9.879 -9.802 1.00 0.00 N ATOM 52 CA ASN A 4 -8.887 9.770 -10.195 1.00 0.00 C ATOM 53 C ASN A 4 -9.046 8.657 -11.232 1.00 0.00 C ATOM 54 O ASN A 4 -8.086 8.027 -11.625 1.00 0.00 O ATOM 55 CB ASN A 4 -9.255 11.132 -10.784 1.00 0.00 C ATOM 56 CG ASN A 4 -8.536 11.333 -12.118 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.950 10.805 -13.131 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.468 12.080 -12.162 1.00 0.00 N ATOM 0 H ASN A 4 -6.895 10.525 -10.357 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.536 9.521 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.333 11.196 -10.929 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.979 11.925 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.980 12.221 -13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.120 12.523 -11.312 1.00 0.00 H new ATOM 65 N LYS A 5 -10.247 8.399 -11.665 1.00 0.00 N ATOM 66 CA LYS A 5 -10.464 7.304 -12.657 1.00 0.00 C ATOM 67 C LYS A 5 -9.564 7.482 -13.876 1.00 0.00 C ATOM 68 O LYS A 5 -9.103 6.523 -14.463 1.00 0.00 O ATOM 69 CB LYS A 5 -11.931 7.406 -13.065 1.00 0.00 C ATOM 70 CG LYS A 5 -12.227 6.333 -14.113 1.00 0.00 C ATOM 71 CD LYS A 5 -12.990 5.177 -13.463 1.00 0.00 C ATOM 72 CE LYS A 5 -13.476 4.212 -14.548 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.867 4.648 -14.852 1.00 0.00 N ATOM 0 H LYS A 5 -11.089 8.897 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.224 6.330 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.575 7.272 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.142 8.396 -13.469 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.815 6.758 -14.927 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.296 5.969 -14.548 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.345 4.653 -12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.838 5.560 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.843 4.263 -15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.453 3.180 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.270 4.034 -15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.447 4.583 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.857 5.632 -15.189 1.00 0.00 H new ATOM 87 N LYS A 6 -9.304 8.696 -14.268 1.00 0.00 N ATOM 88 CA LYS A 6 -8.429 8.909 -15.450 1.00 0.00 C ATOM 89 C LYS A 6 -6.996 8.572 -15.076 1.00 0.00 C ATOM 90 O LYS A 6 -6.383 7.692 -15.647 1.00 0.00 O ATOM 91 CB LYS A 6 -8.562 10.391 -15.801 1.00 0.00 C ATOM 92 CG LYS A 6 -10.030 10.813 -15.715 1.00 0.00 C ATOM 93 CD LYS A 6 -10.441 11.491 -17.023 1.00 0.00 C ATOM 94 CE LYS A 6 -10.995 10.442 -17.989 1.00 0.00 C ATOM 95 NZ LYS A 6 -10.150 10.565 -19.209 1.00 0.00 N ATOM 0 H LYS A 6 -9.657 9.544 -13.824 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.708 8.280 -16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.961 10.991 -15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.180 10.572 -16.806 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.660 9.943 -15.530 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.175 11.495 -14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.194 12.255 -16.828 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.583 11.995 -17.469 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.932 9.440 -17.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.045 10.627 -18.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.467 9.877 -19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.235 11.527 -19.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.157 10.377 -18.964 1.00 0.00 H new ATOM 109 N GLN A 7 -6.461 9.250 -14.106 1.00 0.00 N ATOM 110 CA GLN A 7 -5.072 8.943 -13.689 1.00 0.00 C ATOM 111 C GLN A 7 -4.964 7.449 -13.394 1.00 0.00 C ATOM 112 O GLN A 7 -4.033 6.792 -13.800 1.00 0.00 O ATOM 113 CB GLN A 7 -4.845 9.762 -12.417 1.00 0.00 C ATOM 114 CG GLN A 7 -4.854 11.251 -12.763 1.00 0.00 C ATOM 115 CD GLN A 7 -3.424 11.719 -13.036 1.00 0.00 C ATOM 116 OE1 GLN A 7 -2.527 10.847 -13.406 1.00 0.00 O flip ATOM 117 NE2 GLN A 7 -3.120 12.888 -12.913 1.00 0.00 N flip ATOM 0 H GLN A 7 -6.921 9.998 -13.587 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.334 9.186 -14.453 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.623 9.543 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.893 9.489 -11.961 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.479 11.428 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.285 11.824 -11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.821 13.570 -12.624 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.163 13.188 -13.099 1.00 0.00 H new ATOM 126 N LEU A 8 -5.931 6.908 -12.703 1.00 0.00 N ATOM 127 CA LEU A 8 -5.899 5.456 -12.386 1.00 0.00 C ATOM 128 C LEU A 8 -5.529 4.677 -13.631 1.00 0.00 C ATOM 129 O LEU A 8 -4.625 3.873 -13.627 1.00 0.00 O ATOM 130 CB LEU A 8 -7.316 5.085 -11.938 1.00 0.00 C ATOM 131 CG LEU A 8 -7.247 4.123 -10.746 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.591 3.414 -10.585 1.00 0.00 C ATOM 133 CD2 LEU A 8 -6.157 3.075 -10.984 1.00 0.00 C ATOM 0 H LEU A 8 -6.742 7.412 -12.345 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.167 5.226 -11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.867 5.984 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.858 4.620 -12.762 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.016 4.691 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.542 2.730 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.373 4.153 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.817 2.853 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.114 2.395 -10.133 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.386 2.511 -11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.194 3.572 -11.101 1.00 0.00 H new ATOM 145 N ALA A 9 -6.205 4.916 -14.711 1.00 0.00 N ATOM 146 CA ALA A 9 -5.845 4.169 -15.947 1.00 0.00 C ATOM 147 C ALA A 9 -4.468 4.644 -16.419 1.00 0.00 C ATOM 148 O ALA A 9 -3.697 3.893 -16.980 1.00 0.00 O ATOM 149 CB ALA A 9 -6.933 4.477 -16.971 1.00 0.00 C ATOM 0 H ALA A 9 -6.975 5.580 -14.797 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.786 3.092 -15.789 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.717 3.951 -17.901 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.899 4.150 -16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.962 5.550 -17.159 1.00 0.00 H new ATOM 155 N ASP A 10 -4.145 5.882 -16.154 1.00 0.00 N ATOM 156 CA ASP A 10 -2.802 6.408 -16.541 1.00 0.00 C ATOM 157 C ASP A 10 -1.744 5.727 -15.673 1.00 0.00 C ATOM 158 O ASP A 10 -0.688 5.342 -16.135 1.00 0.00 O ATOM 159 CB ASP A 10 -2.855 7.904 -16.236 1.00 0.00 C ATOM 160 CG ASP A 10 -2.272 8.689 -17.414 1.00 0.00 C ATOM 161 OD1 ASP A 10 -1.059 8.766 -17.505 1.00 0.00 O ATOM 162 OD2 ASP A 10 -3.051 9.201 -18.201 1.00 0.00 O ATOM 0 H ASP A 10 -4.754 6.553 -15.686 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.556 6.223 -17.587 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.885 8.212 -16.054 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.293 8.120 -15.328 1.00 0.00 H new ATOM 167 N ILE A 11 -2.044 5.561 -14.415 1.00 0.00 N ATOM 168 CA ILE A 11 -1.094 4.889 -13.487 1.00 0.00 C ATOM 169 C ILE A 11 -0.603 3.593 -14.123 1.00 0.00 C ATOM 170 O ILE A 11 0.567 3.406 -14.384 1.00 0.00 O ATOM 171 CB ILE A 11 -1.938 4.566 -12.254 1.00 0.00 C ATOM 172 CG1 ILE A 11 -2.490 5.870 -11.657 1.00 0.00 C ATOM 173 CG2 ILE A 11 -1.093 3.811 -11.222 1.00 0.00 C ATOM 174 CD1 ILE A 11 -1.573 6.400 -10.555 1.00 0.00 C ATOM 0 H ILE A 11 -2.918 5.866 -13.986 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.223 5.501 -13.252 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.774 3.929 -12.541 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.591 6.619 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.487 5.695 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.703 3.585 -10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.729 2.882 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.246 4.428 -10.924 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.987 7.323 -10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.493 5.659 -9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.584 6.597 -10.968 1.00 0.00 H new ATOM 186 N PHE A 12 -1.515 2.703 -14.381 1.00 0.00 N ATOM 187 CA PHE A 12 -1.152 1.409 -15.007 1.00 0.00 C ATOM 188 C PHE A 12 -0.979 1.601 -16.509 1.00 0.00 C ATOM 189 O PHE A 12 -0.810 0.650 -17.247 1.00 0.00 O ATOM 190 CB PHE A 12 -2.344 0.486 -14.737 1.00 0.00 C ATOM 191 CG PHE A 12 -2.584 0.343 -13.248 1.00 0.00 C ATOM 192 CD1 PHE A 12 -3.263 1.345 -12.539 1.00 0.00 C ATOM 193 CD2 PHE A 12 -2.149 -0.807 -12.579 1.00 0.00 C ATOM 194 CE1 PHE A 12 -3.495 1.200 -11.172 1.00 0.00 C ATOM 195 CE2 PHE A 12 -2.387 -0.953 -11.210 1.00 0.00 C ATOM 196 CZ PHE A 12 -3.058 0.052 -10.506 1.00 0.00 C ATOM 0 H PHE A 12 -2.508 2.820 -14.182 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.221 1.004 -14.611 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.237 0.887 -15.217 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.158 -0.494 -15.176 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.607 2.230 -13.053 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.629 -1.582 -13.122 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.013 1.976 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.053 -1.842 -10.696 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.239 -0.059 -9.447 1.00 0.00 H new ATOM 206 N GLY A 13 -1.048 2.817 -16.979 1.00 0.00 N ATOM 207 CA GLY A 13 -0.916 3.034 -18.441 1.00 0.00 C ATOM 208 C GLY A 13 -1.987 2.187 -19.111 1.00 0.00 C ATOM 209 O GLY A 13 -1.896 1.832 -20.270 1.00 0.00 O ATOM 0 H GLY A 13 -1.188 3.658 -16.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.046 4.088 -18.688 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.077 2.745 -18.786 1.00 0.00 H new ATOM 213 N ALA A 14 -3.001 1.857 -18.362 1.00 0.00 N ATOM 214 CA ALA A 14 -4.102 1.025 -18.893 1.00 0.00 C ATOM 215 C ALA A 14 -5.131 1.906 -19.583 1.00 0.00 C ATOM 216 O ALA A 14 -4.949 3.098 -19.739 1.00 0.00 O ATOM 217 CB ALA A 14 -4.731 0.391 -17.649 1.00 0.00 C ATOM 0 H ALA A 14 -3.110 2.137 -17.387 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.755 0.289 -19.618 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.562 -0.248 -17.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.983 -0.206 -17.127 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.096 1.175 -16.986 1.00 0.00 H new ATOM 223 N SER A 15 -6.234 1.332 -19.947 1.00 0.00 N ATOM 224 CA SER A 15 -7.314 2.125 -20.573 1.00 0.00 C ATOM 225 C SER A 15 -8.413 2.255 -19.549 1.00 0.00 C ATOM 226 O SER A 15 -8.748 1.310 -18.871 1.00 0.00 O ATOM 227 CB SER A 15 -7.787 1.321 -21.778 1.00 0.00 C ATOM 228 OG SER A 15 -6.711 0.538 -22.274 1.00 0.00 O ATOM 0 H SER A 15 -6.435 0.338 -19.837 1.00 0.00 H new ATOM 0 HA SER A 15 -7.000 3.119 -20.890 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.620 0.677 -21.495 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.152 1.992 -22.556 1.00 0.00 H new ATOM 0 HG SER A 15 -7.014 0.019 -23.048 1.00 0.00 H new ATOM 234 N ILE A 16 -8.975 3.401 -19.407 1.00 0.00 N ATOM 235 CA ILE A 16 -10.047 3.531 -18.401 1.00 0.00 C ATOM 236 C ILE A 16 -11.073 2.445 -18.671 1.00 0.00 C ATOM 237 O ILE A 16 -11.765 1.980 -17.787 1.00 0.00 O ATOM 238 CB ILE A 16 -10.633 4.910 -18.611 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.476 5.923 -18.696 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.546 5.203 -17.430 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.850 7.247 -18.034 1.00 0.00 C ATOM 0 H ILE A 16 -8.748 4.245 -19.932 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.700 3.420 -17.374 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.210 4.976 -19.533 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.591 5.509 -18.213 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.217 6.096 -19.741 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.987 6.193 -17.548 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.338 4.455 -17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.968 5.172 -16.507 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.013 7.941 -18.110 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.720 7.671 -18.535 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.084 7.075 -16.983 1.00 0.00 H new ATOM 253 N ARG A 17 -11.130 2.006 -19.892 1.00 0.00 N ATOM 254 CA ARG A 17 -12.065 0.900 -20.240 1.00 0.00 C ATOM 255 C ARG A 17 -11.707 -0.276 -19.349 1.00 0.00 C ATOM 256 O ARG A 17 -12.516 -1.126 -19.044 1.00 0.00 O ATOM 257 CB ARG A 17 -11.796 0.504 -21.696 1.00 0.00 C ATOM 258 CG ARG A 17 -11.208 1.653 -22.504 1.00 0.00 C ATOM 259 CD ARG A 17 -12.021 2.927 -22.266 1.00 0.00 C ATOM 260 NE ARG A 17 -12.583 3.277 -23.601 1.00 0.00 N ATOM 261 CZ ARG A 17 -13.596 2.611 -24.078 1.00 0.00 C ATOM 262 NH1 ARG A 17 -14.800 2.851 -23.635 1.00 0.00 N ATOM 263 NH2 ARG A 17 -13.409 1.705 -24.999 1.00 0.00 N ATOM 0 H ARG A 17 -10.571 2.363 -20.667 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.107 1.191 -20.110 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.111 -0.343 -21.720 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.726 0.175 -22.159 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.169 1.816 -22.218 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.211 1.402 -23.565 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.812 2.760 -21.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.394 3.730 -21.878 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.174 4.039 -24.142 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.947 3.559 -22.916 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.594 2.330 -24.008 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.468 1.517 -25.346 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.203 1.185 -25.371 1.00 0.00 H new ATOM 277 N THR A 18 -10.472 -0.311 -18.935 1.00 0.00 N ATOM 278 CA THR A 18 -10.003 -1.399 -18.056 1.00 0.00 C ATOM 279 C THR A 18 -10.312 -1.015 -16.612 1.00 0.00 C ATOM 280 O THR A 18 -10.747 -1.822 -15.816 1.00 0.00 O ATOM 281 CB THR A 18 -8.493 -1.473 -18.288 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.239 -1.845 -19.635 1.00 0.00 O ATOM 283 CG2 THR A 18 -7.866 -2.504 -17.345 1.00 0.00 C ATOM 0 H THR A 18 -9.763 0.382 -19.176 1.00 0.00 H new ATOM 0 HA THR A 18 -10.479 -2.358 -18.259 1.00 0.00 H new ATOM 0 HB THR A 18 -8.053 -0.496 -18.089 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.272 -1.891 -19.785 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.791 -2.549 -17.518 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.055 -2.214 -16.311 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.305 -3.484 -17.533 1.00 0.00 H new ATOM 291 N ILE A 19 -10.110 0.235 -16.280 1.00 0.00 N ATOM 292 CA ILE A 19 -10.413 0.696 -14.899 1.00 0.00 C ATOM 293 C ILE A 19 -11.891 0.451 -14.612 1.00 0.00 C ATOM 294 O ILE A 19 -12.264 -0.058 -13.573 1.00 0.00 O ATOM 295 CB ILE A 19 -10.134 2.196 -14.899 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.709 2.466 -15.385 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.303 2.735 -13.481 1.00 0.00 C ATOM 298 CD1 ILE A 19 -7.723 1.627 -14.580 1.00 0.00 C ATOM 0 H ILE A 19 -9.748 0.953 -16.908 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.821 0.175 -14.146 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.834 2.694 -15.570 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.625 2.226 -16.445 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.473 3.525 -15.278 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.105 3.807 -13.473 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.322 2.552 -13.141 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.602 2.232 -12.815 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.709 1.822 -14.929 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.800 1.888 -13.525 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.954 0.570 -14.710 1.00 0.00 H new ATOM 310 N GLN A 20 -12.735 0.792 -15.550 1.00 0.00 N ATOM 311 CA GLN A 20 -14.187 0.567 -15.367 1.00 0.00 C ATOM 312 C GLN A 20 -14.407 -0.929 -15.233 1.00 0.00 C ATOM 313 O GLN A 20 -15.393 -1.387 -14.691 1.00 0.00 O ATOM 314 CB GLN A 20 -14.836 1.101 -16.642 1.00 0.00 C ATOM 315 CG GLN A 20 -14.267 0.356 -17.837 1.00 0.00 C ATOM 316 CD GLN A 20 -15.411 -0.218 -18.677 1.00 0.00 C ATOM 317 OE1 GLN A 20 -15.793 -1.358 -18.504 1.00 0.00 O ATOM 318 NE2 GLN A 20 -15.977 0.528 -19.585 1.00 0.00 N ATOM 0 H GLN A 20 -12.473 1.219 -16.438 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.603 1.057 -14.486 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.917 0.970 -16.597 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.648 2.170 -16.741 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.660 1.029 -18.443 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.612 -0.447 -17.499 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.657 1.485 -19.731 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.740 0.154 -20.149 1.00 0.00 H new ATOM 327 N ASN A 21 -13.468 -1.697 -15.714 1.00 0.00 N ATOM 328 CA ASN A 21 -13.587 -3.166 -15.601 1.00 0.00 C ATOM 329 C ASN A 21 -12.989 -3.596 -14.268 1.00 0.00 C ATOM 330 O ASN A 21 -13.304 -4.639 -13.732 1.00 0.00 O ATOM 331 CB ASN A 21 -12.792 -3.737 -16.774 1.00 0.00 C ATOM 332 CG ASN A 21 -13.674 -3.770 -18.024 1.00 0.00 C ATOM 333 OD1 ASN A 21 -14.872 -3.944 -17.932 1.00 0.00 O ATOM 334 ND2 ASN A 21 -13.126 -3.609 -19.197 1.00 0.00 N ATOM 0 H ASN A 21 -12.624 -1.364 -16.180 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.619 -3.517 -15.633 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.907 -3.128 -16.957 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.444 -4.742 -16.536 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.704 -3.629 -20.037 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.119 -3.463 -19.274 1.00 0.00 H new ATOM 341 N TRP A 22 -12.141 -2.771 -13.721 1.00 0.00 N ATOM 342 CA TRP A 22 -11.524 -3.088 -12.408 1.00 0.00 C ATOM 343 C TRP A 22 -12.537 -2.796 -11.306 1.00 0.00 C ATOM 344 O TRP A 22 -12.763 -3.599 -10.423 1.00 0.00 O ATOM 345 CB TRP A 22 -10.322 -2.149 -12.309 1.00 0.00 C ATOM 346 CG TRP A 22 -9.252 -2.625 -13.235 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.431 -3.531 -14.222 1.00 0.00 C ATOM 348 CD2 TRP A 22 -7.851 -2.239 -13.282 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.223 -3.739 -14.860 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.218 -2.965 -14.318 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.073 -1.345 -12.530 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -5.860 -2.809 -14.598 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -5.709 -1.184 -12.810 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.101 -1.916 -13.840 1.00 0.00 C ATOM 0 H TRP A 22 -11.848 -1.885 -14.132 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.224 -4.131 -12.309 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.617 -1.132 -12.567 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.949 -2.123 -11.285 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.365 -4.013 -14.471 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.091 -4.386 -15.637 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.528 -0.778 -11.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.400 -3.375 -15.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.121 -0.490 -12.227 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.048 -1.789 -14.046 1.00 0.00 H new ATOM 365 N GLN A 23 -13.164 -1.653 -11.365 1.00 0.00 N ATOM 366 CA GLN A 23 -14.178 -1.315 -10.333 1.00 0.00 C ATOM 367 C GLN A 23 -15.181 -2.461 -10.219 1.00 0.00 C ATOM 368 O GLN A 23 -15.813 -2.648 -9.199 1.00 0.00 O ATOM 369 CB GLN A 23 -14.867 -0.032 -10.815 1.00 0.00 C ATOM 370 CG GLN A 23 -15.074 -0.089 -12.327 1.00 0.00 C ATOM 371 CD GLN A 23 -16.396 0.589 -12.690 1.00 0.00 C ATOM 372 OE1 GLN A 23 -16.454 1.378 -13.613 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.467 0.315 -11.998 1.00 0.00 N ATOM 0 H GLN A 23 -13.017 -0.942 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.732 -1.166 -9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.827 0.087 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.261 0.836 -10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.248 0.407 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.081 -1.125 -12.664 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.418 -0.347 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.353 0.763 -12.231 1.00 0.00 H new ATOM 382 N GLU A 24 -15.324 -3.240 -11.258 1.00 0.00 N ATOM 383 CA GLU A 24 -16.278 -4.383 -11.192 1.00 0.00 C ATOM 384 C GLU A 24 -15.541 -5.652 -10.757 1.00 0.00 C ATOM 385 O GLU A 24 -16.111 -6.723 -10.697 1.00 0.00 O ATOM 386 CB GLU A 24 -16.827 -4.536 -12.612 1.00 0.00 C ATOM 387 CG GLU A 24 -17.624 -3.286 -12.992 1.00 0.00 C ATOM 388 CD GLU A 24 -19.114 -3.531 -12.741 1.00 0.00 C ATOM 389 OE1 GLU A 24 -19.513 -3.501 -11.589 1.00 0.00 O ATOM 390 OE2 GLU A 24 -19.831 -3.742 -13.707 1.00 0.00 O ATOM 0 H GLU A 24 -14.826 -3.135 -12.142 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.077 -4.213 -10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.008 -4.685 -13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.464 -5.418 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.282 -2.432 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -17.457 -3.041 -14.041 1.00 0.00 H new ATOM 397 N GLN A 25 -14.277 -5.536 -10.451 1.00 0.00 N ATOM 398 CA GLN A 25 -13.501 -6.731 -10.016 1.00 0.00 C ATOM 399 C GLN A 25 -13.114 -6.596 -8.540 1.00 0.00 C ATOM 400 O GLN A 25 -12.236 -7.281 -8.052 1.00 0.00 O ATOM 401 CB GLN A 25 -12.256 -6.743 -10.903 1.00 0.00 C ATOM 402 CG GLN A 25 -12.673 -6.880 -12.369 1.00 0.00 C ATOM 403 CD GLN A 25 -12.885 -8.357 -12.706 1.00 0.00 C ATOM 404 OE1 GLN A 25 -12.737 -9.214 -11.858 1.00 0.00 O ATOM 405 NE2 GLN A 25 -13.232 -8.693 -13.919 1.00 0.00 N ATOM 0 H GLN A 25 -13.748 -4.664 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.072 -7.654 -10.112 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.686 -5.825 -10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.604 -7.570 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.590 -6.320 -12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.906 -6.455 -13.017 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.356 -7.974 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.379 -9.675 -14.154 1.00 0.00 H new ATOM 414 N GLY A 26 -13.765 -5.719 -7.824 1.00 0.00 N ATOM 415 CA GLY A 26 -13.440 -5.539 -6.379 1.00 0.00 C ATOM 416 C GLY A 26 -12.360 -4.466 -6.222 1.00 0.00 C ATOM 417 O GLY A 26 -11.731 -4.351 -5.188 1.00 0.00 O ATOM 0 H GLY A 26 -14.509 -5.118 -8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.335 -5.251 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.094 -6.481 -5.954 1.00 0.00 H new ATOM 421 N MET A 27 -12.136 -3.683 -7.240 1.00 0.00 N ATOM 422 CA MET A 27 -11.091 -2.619 -7.150 1.00 0.00 C ATOM 423 C MET A 27 -11.197 -1.866 -5.818 1.00 0.00 C ATOM 424 O MET A 27 -12.281 -1.630 -5.320 1.00 0.00 O ATOM 425 CB MET A 27 -11.365 -1.685 -8.341 1.00 0.00 C ATOM 426 CG MET A 27 -12.115 -0.422 -7.886 1.00 0.00 C ATOM 427 SD MET A 27 -12.172 0.756 -9.249 1.00 0.00 S ATOM 428 CE MET A 27 -10.391 0.914 -9.461 1.00 0.00 C ATOM 0 H MET A 27 -12.630 -3.732 -8.131 1.00 0.00 H new ATOM 0 HA MET A 27 -10.082 -3.030 -7.186 1.00 0.00 H new ATOM 0 HB2 MET A 27 -10.423 -1.404 -8.812 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.953 -2.211 -9.093 1.00 0.00 H new ATOM 0 HG2 MET A 27 -13.126 -0.679 -7.569 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.615 0.023 -7.026 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.178 1.725 -10.157 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.928 1.131 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.987 -0.018 -9.856 1.00 0.00 H new ATOM 438 N PRO A 28 -10.059 -1.499 -5.299 1.00 0.00 N ATOM 439 CA PRO A 28 -10.005 -0.750 -4.031 1.00 0.00 C ATOM 440 C PRO A 28 -10.098 0.763 -4.261 1.00 0.00 C ATOM 441 O PRO A 28 -9.178 1.513 -3.960 1.00 0.00 O ATOM 442 CB PRO A 28 -8.642 -1.127 -3.466 1.00 0.00 C ATOM 443 CG PRO A 28 -7.803 -1.510 -4.654 1.00 0.00 C ATOM 444 CD PRO A 28 -8.724 -1.763 -5.828 1.00 0.00 C ATOM 0 HA PRO A 28 -10.835 -0.990 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.197 -0.292 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.725 -1.955 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.096 -0.715 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.217 -2.402 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.491 -1.106 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.635 -2.787 -6.191 1.00 0.00 H new ATOM 452 N VAL A 29 -11.201 1.230 -4.774 1.00 0.00 N ATOM 453 CA VAL A 29 -11.327 2.702 -4.980 1.00 0.00 C ATOM 454 C VAL A 29 -11.144 3.409 -3.655 1.00 0.00 C ATOM 455 O VAL A 29 -10.852 2.812 -2.639 1.00 0.00 O ATOM 456 CB VAL A 29 -12.747 3.044 -5.454 1.00 0.00 C ATOM 457 CG1 VAL A 29 -12.711 3.492 -6.882 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.669 1.868 -5.386 1.00 0.00 C ATOM 0 H VAL A 29 -12.007 0.671 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.580 3.010 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.114 3.828 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.721 3.733 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.079 4.376 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.306 2.693 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.660 2.162 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.286 1.068 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.734 1.515 -4.357 1.00 0.00 H new ATOM 468 N LEU A 30 -11.385 4.674 -3.661 1.00 0.00 N ATOM 469 CA LEU A 30 -11.308 5.454 -2.398 1.00 0.00 C ATOM 470 C LEU A 30 -12.718 5.733 -1.927 1.00 0.00 C ATOM 471 O LEU A 30 -12.990 5.923 -0.757 1.00 0.00 O ATOM 472 CB LEU A 30 -10.629 6.756 -2.769 1.00 0.00 C ATOM 473 CG LEU A 30 -9.224 6.727 -2.219 1.00 0.00 C ATOM 474 CD1 LEU A 30 -8.540 5.458 -2.697 1.00 0.00 C ATOM 475 CD2 LEU A 30 -8.469 7.953 -2.712 1.00 0.00 C ATOM 0 H LEU A 30 -11.635 5.214 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.768 4.931 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.611 6.881 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.180 7.603 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.241 6.739 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.523 5.424 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.095 4.590 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.511 5.449 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.453 7.937 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.436 7.946 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.977 8.855 -2.370 1.00 0.00 H new ATOM 606 N LEU A 40 -12.660 8.060 -6.066 1.00 0.00 N ATOM 607 CA LEU A 40 -11.188 8.209 -6.211 1.00 0.00 C ATOM 608 C LEU A 40 -10.562 6.825 -6.165 1.00 0.00 C ATOM 609 O LEU A 40 -11.217 5.864 -5.819 1.00 0.00 O ATOM 610 CB LEU A 40 -10.731 9.022 -5.007 1.00 0.00 C ATOM 611 CG LEU A 40 -10.457 10.458 -5.431 1.00 0.00 C ATOM 612 CD1 LEU A 40 -9.316 10.475 -6.450 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.728 11.043 -6.053 1.00 0.00 C ATOM 0 HA LEU A 40 -10.905 8.694 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.496 9.002 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.831 8.581 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.169 11.057 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.117 11.502 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.419 10.050 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.598 9.885 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.542 12.072 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.014 10.451 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.534 11.023 -5.320 1.00 0.00 H new ATOM 625 N TYR A 41 -9.310 6.689 -6.487 1.00 0.00 N ATOM 626 CA TYR A 41 -8.720 5.333 -6.423 1.00 0.00 C ATOM 627 C TYR A 41 -7.372 5.374 -5.724 1.00 0.00 C ATOM 628 O TYR A 41 -6.502 6.148 -6.069 1.00 0.00 O ATOM 629 CB TYR A 41 -8.536 4.882 -7.873 1.00 0.00 C ATOM 630 CG TYR A 41 -9.828 4.991 -8.652 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.703 3.903 -8.691 1.00 0.00 C ATOM 632 CD2 TYR A 41 -10.146 6.163 -9.354 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.893 3.985 -9.420 1.00 0.00 C ATOM 634 CE2 TYR A 41 -11.337 6.236 -10.088 1.00 0.00 C ATOM 635 CZ TYR A 41 -12.208 5.147 -10.118 1.00 0.00 C ATOM 636 OH TYR A 41 -13.379 5.215 -10.848 1.00 0.00 O ATOM 0 H TYR A 41 -8.685 7.438 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.361 4.651 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.769 5.491 -8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.183 3.851 -7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.460 2.996 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.474 7.008 -9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.570 3.144 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.581 7.137 -10.631 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.863 6.035 -10.615 1.00 0.00 H new ATOM 646 N ASP A 42 -7.184 4.535 -4.750 1.00 0.00 N ATOM 647 CA ASP A 42 -5.872 4.529 -4.048 1.00 0.00 C ATOM 648 C ASP A 42 -4.851 3.849 -4.951 1.00 0.00 C ATOM 649 O ASP A 42 -4.553 2.680 -4.808 1.00 0.00 O ATOM 650 CB ASP A 42 -6.082 3.743 -2.748 1.00 0.00 C ATOM 651 CG ASP A 42 -6.998 2.542 -2.996 1.00 0.00 C ATOM 652 OD1 ASP A 42 -6.859 1.920 -4.036 1.00 0.00 O ATOM 653 OD2 ASP A 42 -7.822 2.265 -2.140 1.00 0.00 O ATOM 0 H ASP A 42 -7.870 3.861 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.507 5.530 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.121 3.403 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.519 4.392 -1.989 1.00 0.00 H new ATOM 658 N SER A 43 -4.345 4.576 -5.906 1.00 0.00 N ATOM 659 CA SER A 43 -3.367 3.999 -6.867 1.00 0.00 C ATOM 660 C SER A 43 -2.424 3.011 -6.186 1.00 0.00 C ATOM 661 O SER A 43 -1.930 2.099 -6.814 1.00 0.00 O ATOM 662 CB SER A 43 -2.602 5.195 -7.417 1.00 0.00 C ATOM 663 OG SER A 43 -1.311 4.776 -7.832 1.00 0.00 O ATOM 0 H SER A 43 -4.571 5.558 -6.063 1.00 0.00 H new ATOM 0 HA SER A 43 -3.865 3.433 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.142 5.632 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.518 5.969 -6.654 1.00 0.00 H new ATOM 0 HG SER A 43 -0.750 4.616 -7.044 1.00 0.00 H new ATOM 669 N ALA A 44 -2.174 3.158 -4.913 1.00 0.00 N ATOM 670 CA ALA A 44 -1.269 2.177 -4.246 1.00 0.00 C ATOM 671 C ALA A 44 -2.075 0.946 -3.865 1.00 0.00 C ATOM 672 O ALA A 44 -1.624 -0.174 -3.989 1.00 0.00 O ATOM 673 CB ALA A 44 -0.709 2.865 -3.002 1.00 0.00 C ATOM 0 H ALA A 44 -2.547 3.897 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.455 1.862 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.039 2.183 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.159 3.759 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.529 3.145 -2.341 1.00 0.00 H new ATOM 679 N ALA A 45 -3.284 1.141 -3.434 1.00 0.00 N ATOM 680 CA ALA A 45 -4.128 -0.025 -3.088 1.00 0.00 C ATOM 681 C ALA A 45 -4.667 -0.608 -4.390 1.00 0.00 C ATOM 682 O ALA A 45 -4.894 -1.796 -4.513 1.00 0.00 O ATOM 683 CB ALA A 45 -5.258 0.525 -2.223 1.00 0.00 C ATOM 0 H ALA A 45 -3.722 2.053 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.591 -0.810 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.922 -0.289 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.840 0.990 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.821 1.267 -2.789 1.00 0.00 H new ATOM 689 N VAL A 46 -4.852 0.234 -5.373 1.00 0.00 N ATOM 690 CA VAL A 46 -5.353 -0.250 -6.687 1.00 0.00 C ATOM 691 C VAL A 46 -4.328 -1.203 -7.302 1.00 0.00 C ATOM 692 O VAL A 46 -4.650 -2.004 -8.154 1.00 0.00 O ATOM 693 CB VAL A 46 -5.524 0.999 -7.556 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.922 0.583 -8.973 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.628 1.881 -6.971 1.00 0.00 C ATOM 0 H VAL A 46 -4.676 1.237 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.293 -0.794 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.584 1.551 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.044 1.472 -9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.144 -0.052 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.862 0.032 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.750 2.770 -7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.565 1.324 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.358 2.178 -5.958 1.00 0.00 H new ATOM 705 N ILE A 47 -3.095 -1.149 -6.864 1.00 0.00 N ATOM 706 CA ILE A 47 -2.090 -2.097 -7.431 1.00 0.00 C ATOM 707 C ILE A 47 -1.975 -3.305 -6.537 1.00 0.00 C ATOM 708 O ILE A 47 -2.115 -4.424 -6.975 1.00 0.00 O ATOM 709 CB ILE A 47 -0.734 -1.399 -7.496 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.539 -0.396 -6.358 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.623 -0.688 -8.820 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.672 0.476 -6.674 1.00 0.00 C ATOM 0 H ILE A 47 -2.747 -0.505 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.403 -2.408 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 47 0.043 -2.157 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.429 0.222 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.391 -0.920 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.341 -0.184 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.707 -1.412 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.423 0.047 -8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.822 1.196 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.558 -0.152 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.503 1.008 -7.610 1.00 0.00 H new ATOM 724 N LYS A 48 -1.725 -3.097 -5.283 1.00 0.00 N ATOM 725 CA LYS A 48 -1.613 -4.252 -4.376 1.00 0.00 C ATOM 726 C LYS A 48 -2.774 -5.203 -4.680 1.00 0.00 C ATOM 727 O LYS A 48 -2.686 -6.401 -4.533 1.00 0.00 O ATOM 728 CB LYS A 48 -1.729 -3.661 -2.970 1.00 0.00 C ATOM 729 CG LYS A 48 -0.532 -4.103 -2.133 1.00 0.00 C ATOM 730 CD LYS A 48 0.606 -3.095 -2.304 1.00 0.00 C ATOM 731 CE LYS A 48 0.420 -1.941 -1.317 1.00 0.00 C ATOM 732 NZ LYS A 48 1.548 -1.009 -1.599 1.00 0.00 N ATOM 0 H LYS A 48 -1.595 -2.182 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.684 -4.813 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.767 -2.573 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.656 -3.990 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.815 -4.174 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.204 -5.095 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.566 -3.582 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.619 -2.715 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.543 -1.450 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.448 -2.294 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.018 -0.753 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.232 -1.473 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.182 -0.149 -2.056 1.00 0.00 H new ATOM 746 N TRP A 49 -3.853 -4.637 -5.136 1.00 0.00 N ATOM 747 CA TRP A 49 -5.062 -5.427 -5.501 1.00 0.00 C ATOM 748 C TRP A 49 -4.883 -6.039 -6.900 1.00 0.00 C ATOM 749 O TRP A 49 -5.150 -7.205 -7.118 1.00 0.00 O ATOM 750 CB TRP A 49 -6.162 -4.358 -5.472 1.00 0.00 C ATOM 751 CG TRP A 49 -7.388 -4.761 -6.235 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.446 -5.422 -5.709 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.730 -4.490 -7.629 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.413 -5.569 -6.686 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.017 -5.020 -7.885 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.057 -3.847 -8.687 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.616 -4.913 -9.139 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.662 -3.739 -9.953 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.938 -4.271 -10.176 1.00 0.00 C ATOM 0 H TRP A 49 -3.951 -3.631 -5.275 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.277 -6.270 -4.844 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.435 -4.153 -4.437 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.770 -3.430 -5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.522 -5.777 -4.692 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.311 -6.029 -6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.072 -3.435 -8.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.600 -5.325 -9.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.139 -3.243 -10.757 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.397 -4.184 -11.150 1.00 0.00 H new ATOM 770 N TYR A 50 -4.428 -5.259 -7.845 1.00 0.00 N ATOM 771 CA TYR A 50 -4.223 -5.777 -9.232 1.00 0.00 C ATOM 772 C TYR A 50 -2.788 -6.274 -9.433 1.00 0.00 C ATOM 773 O TYR A 50 -2.556 -7.361 -9.925 1.00 0.00 O ATOM 774 CB TYR A 50 -4.512 -4.554 -10.122 1.00 0.00 C ATOM 775 CG TYR A 50 -3.632 -4.560 -11.355 1.00 0.00 C ATOM 776 CD1 TYR A 50 -2.305 -4.092 -11.295 1.00 0.00 C ATOM 777 CD2 TYR A 50 -4.144 -5.047 -12.557 1.00 0.00 C ATOM 778 CE1 TYR A 50 -1.504 -4.115 -12.447 1.00 0.00 C ATOM 779 CE2 TYR A 50 -3.347 -5.066 -13.700 1.00 0.00 C ATOM 780 CZ TYR A 50 -2.027 -4.602 -13.647 1.00 0.00 C ATOM 781 OH TYR A 50 -1.241 -4.625 -14.777 1.00 0.00 O ATOM 0 H TYR A 50 -4.187 -4.276 -7.715 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.862 -6.630 -9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.561 -4.556 -10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.343 -3.639 -9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.905 -3.716 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.160 -5.410 -12.602 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.486 -3.757 -12.406 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.749 -5.440 -14.630 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.755 -4.994 -15.525 1.00 0.00 H new ATOM 791 N ALA A 51 -1.829 -5.473 -9.080 1.00 0.00 N ATOM 792 CA ALA A 51 -0.419 -5.869 -9.272 1.00 0.00 C ATOM 793 C ALA A 51 -0.118 -7.112 -8.460 1.00 0.00 C ATOM 794 O ALA A 51 0.777 -7.872 -8.774 1.00 0.00 O ATOM 795 CB ALA A 51 0.397 -4.687 -8.761 1.00 0.00 C ATOM 0 H ALA A 51 -1.966 -4.552 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.190 -6.101 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.460 -4.904 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.148 -3.796 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.168 -4.514 -7.709 1.00 0.00 H new ATOM 1092 N MET B 1 1.631 6.856 -17.613 1.00 0.00 N ATOM 1093 CA MET B 1 2.003 7.967 -16.689 1.00 0.00 C ATOM 1094 C MET B 1 3.499 7.928 -16.397 1.00 0.00 C ATOM 1095 O MET B 1 4.102 6.876 -16.316 1.00 0.00 O ATOM 1096 CB MET B 1 1.202 7.708 -15.412 1.00 0.00 C ATOM 1097 CG MET B 1 1.762 8.530 -14.248 1.00 0.00 C ATOM 1098 SD MET B 1 0.545 9.776 -13.761 1.00 0.00 S ATOM 1099 CE MET B 1 -0.238 8.800 -12.459 1.00 0.00 C ATOM 0 H1 MET B 1 1.364 7.249 -18.538 1.00 0.00 H new ATOM 0 H2 MET B 1 2.442 6.215 -17.730 1.00 0.00 H new ATOM 0 H3 MET B 1 0.827 6.329 -17.216 1.00 0.00 H new ATOM 0 HA MET B 1 1.786 8.947 -17.114 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.155 7.964 -15.575 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.236 6.647 -15.164 1.00 0.00 H new ATOM 0 HG2 MET B 1 1.991 7.879 -13.404 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.695 9.011 -14.542 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.321 8.839 -12.576 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.097 7.765 -12.529 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.037 9.206 -11.485 1.00 0.00 H new ATOM 1111 N GLU B 2 4.096 9.069 -16.223 1.00 0.00 N ATOM 1112 CA GLU B 2 5.541 9.118 -15.919 1.00 0.00 C ATOM 1113 C GLU B 2 5.727 9.835 -14.578 1.00 0.00 C ATOM 1114 O GLU B 2 5.814 11.044 -14.508 1.00 0.00 O ATOM 1115 CB GLU B 2 6.150 9.909 -17.082 1.00 0.00 C ATOM 1116 CG GLU B 2 7.465 10.550 -16.648 1.00 0.00 C ATOM 1117 CD GLU B 2 8.112 11.255 -17.841 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.401 11.550 -18.788 1.00 0.00 O ATOM 1119 OE2 GLU B 2 9.308 11.492 -17.786 1.00 0.00 O ATOM 0 H GLU B 2 3.636 9.978 -16.280 1.00 0.00 H new ATOM 0 HA GLU B 2 6.013 8.140 -15.827 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.322 9.248 -17.931 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.453 10.679 -17.413 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.285 11.264 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.139 9.790 -16.253 1.00 0.00 H new ATOM 1126 N VAL B 3 5.755 9.097 -13.507 1.00 0.00 N ATOM 1127 CA VAL B 3 5.909 9.733 -12.174 1.00 0.00 C ATOM 1128 C VAL B 3 7.384 9.693 -11.738 1.00 0.00 C ATOM 1129 O VAL B 3 8.184 8.973 -12.301 1.00 0.00 O ATOM 1130 CB VAL B 3 5.024 8.904 -11.251 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.633 8.763 -11.883 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.645 7.523 -11.048 1.00 0.00 C ATOM 0 H VAL B 3 5.678 8.080 -13.498 1.00 0.00 H new ATOM 0 HA VAL B 3 5.620 10.784 -12.165 1.00 0.00 H new ATOM 0 HB VAL B 3 4.936 9.398 -10.283 1.00 0.00 H new ATOM 0 HG11 VAL B 3 2.994 8.171 -11.228 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.194 9.751 -12.021 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.721 8.267 -12.849 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.010 6.932 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.735 7.020 -12.011 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.633 7.631 -10.601 1.00 0.00 H new ATOM 1142 N ASN B 4 7.753 10.477 -10.759 1.00 0.00 N ATOM 1143 CA ASN B 4 9.185 10.501 -10.311 1.00 0.00 C ATOM 1144 C ASN B 4 9.423 9.512 -9.164 1.00 0.00 C ATOM 1145 O ASN B 4 8.553 8.752 -8.794 1.00 0.00 O ATOM 1146 CB ASN B 4 9.427 11.934 -9.828 1.00 0.00 C ATOM 1147 CG ASN B 4 8.720 12.927 -10.757 1.00 0.00 C ATOM 1148 OD1 ASN B 4 7.512 13.326 -10.466 1.00 0.00 O flip ATOM 1149 ND2 ASN B 4 9.273 13.341 -11.756 1.00 0.00 N flip ATOM 0 H ASN B 4 7.129 11.102 -10.249 1.00 0.00 H new ATOM 0 HA ASN B 4 9.860 10.212 -11.117 1.00 0.00 H new ATOM 0 HB2 ASN B 4 9.058 12.050 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.497 12.143 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN B 4 10.217 13.029 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN B 4 8.793 14.001 -12.368 1.00 0.00 H new ATOM 1156 N LYS B 5 10.604 9.522 -8.599 1.00 0.00 N ATOM 1157 CA LYS B 5 10.914 8.585 -7.475 1.00 0.00 C ATOM 1158 C LYS B 5 9.886 8.733 -6.357 1.00 0.00 C ATOM 1159 O LYS B 5 9.584 7.795 -5.647 1.00 0.00 O ATOM 1160 CB LYS B 5 12.288 9.017 -6.962 1.00 0.00 C ATOM 1161 CG LYS B 5 13.396 8.214 -7.647 1.00 0.00 C ATOM 1162 CD LYS B 5 13.224 6.731 -7.327 1.00 0.00 C ATOM 1163 CE LYS B 5 14.601 6.073 -7.226 1.00 0.00 C ATOM 1164 NZ LYS B 5 14.421 4.710 -7.792 1.00 0.00 N ATOM 0 H LYS B 5 11.369 10.140 -8.868 1.00 0.00 H new ATOM 0 HA LYS B 5 10.896 7.545 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS B 5 12.434 10.081 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.341 8.873 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.360 8.371 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS B 5 14.373 8.559 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS B 5 12.681 6.610 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.632 6.246 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS B 5 15.349 6.636 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.942 6.029 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.272 4.441 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.268 4.031 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.597 4.704 -8.427 1.00 0.00 H new ATOM 1178 N LYS B 6 9.358 9.910 -6.187 1.00 0.00 N ATOM 1179 CA LYS B 6 8.368 10.133 -5.113 1.00 0.00 C ATOM 1180 C LYS B 6 6.977 9.746 -5.605 1.00 0.00 C ATOM 1181 O LYS B 6 6.360 8.836 -5.088 1.00 0.00 O ATOM 1182 CB LYS B 6 8.472 11.625 -4.826 1.00 0.00 C ATOM 1183 CG LYS B 6 7.269 12.068 -4.014 1.00 0.00 C ATOM 1184 CD LYS B 6 7.743 12.777 -2.742 1.00 0.00 C ATOM 1185 CE LYS B 6 7.699 11.800 -1.564 1.00 0.00 C ATOM 1186 NZ LYS B 6 7.020 12.547 -0.469 1.00 0.00 N ATOM 0 H LYS B 6 9.575 10.731 -6.753 1.00 0.00 H new ATOM 0 HA LYS B 6 8.548 9.536 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS B 6 9.391 11.838 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS B 6 8.519 12.184 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS B 6 6.645 12.738 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS B 6 6.655 11.206 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS B 6 8.757 13.152 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS B 6 7.109 13.640 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS B 6 7.151 10.894 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS B 6 8.702 11.492 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 6.952 11.942 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 7.568 13.401 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 6.065 12.821 -0.776 1.00 0.00 H new ATOM 1200 N GLN B 7 6.482 10.408 -6.610 1.00 0.00 N ATOM 1201 CA GLN B 7 5.139 10.039 -7.125 1.00 0.00 C ATOM 1202 C GLN B 7 5.078 8.524 -7.319 1.00 0.00 C ATOM 1203 O GLN B 7 4.082 7.902 -7.054 1.00 0.00 O ATOM 1204 CB GLN B 7 5.005 10.749 -8.469 1.00 0.00 C ATOM 1205 CG GLN B 7 4.950 12.261 -8.258 1.00 0.00 C ATOM 1206 CD GLN B 7 3.522 12.677 -7.901 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.754 13.057 -8.763 1.00 0.00 O ATOM 1208 NE2 GLN B 7 3.132 12.624 -6.657 1.00 0.00 N ATOM 0 H GLN B 7 6.943 11.180 -7.092 1.00 0.00 H new ATOM 0 HA GLN B 7 4.338 10.325 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.849 10.493 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN B 7 4.103 10.412 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.634 12.552 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN B 7 5.275 12.777 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.777 12.305 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN B 7 2.183 12.901 -6.408 1.00 0.00 H new ATOM 1217 N LEU B 8 6.152 7.928 -7.770 1.00 0.00 N ATOM 1218 CA LEU B 8 6.164 6.449 -7.974 1.00 0.00 C ATOM 1219 C LEU B 8 5.932 5.751 -6.639 1.00 0.00 C ATOM 1220 O LEU B 8 5.011 4.975 -6.481 1.00 0.00 O ATOM 1221 CB LEU B 8 7.567 6.140 -8.502 1.00 0.00 C ATOM 1222 CG LEU B 8 7.613 4.752 -9.150 1.00 0.00 C ATOM 1223 CD1 LEU B 8 9.078 4.353 -9.347 1.00 0.00 C ATOM 1224 CD2 LEU B 8 6.919 3.717 -8.252 1.00 0.00 C ATOM 0 H LEU B 8 7.023 8.403 -8.006 1.00 0.00 H new ATOM 0 HA LEU B 8 5.387 6.109 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.861 6.896 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.287 6.188 -7.685 1.00 0.00 H new ATOM 0 HG LEU B 8 7.095 4.783 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU B 8 9.128 3.366 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU B 8 9.569 5.080 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.581 4.328 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU B 8 6.961 2.737 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.425 3.675 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU B 8 5.878 4.004 -8.103 1.00 0.00 H new ATOM 1236 N ALA B 9 6.759 6.028 -5.675 1.00 0.00 N ATOM 1237 CA ALA B 9 6.575 5.381 -4.347 1.00 0.00 C ATOM 1238 C ALA B 9 5.222 5.809 -3.776 1.00 0.00 C ATOM 1239 O ALA B 9 4.586 5.083 -3.038 1.00 0.00 O ATOM 1240 CB ALA B 9 7.723 5.894 -3.478 1.00 0.00 C ATOM 0 H ALA B 9 7.549 6.669 -5.746 1.00 0.00 H new ATOM 0 HA ALA B 9 6.585 4.292 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.649 5.456 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.675 5.612 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.665 6.980 -3.402 1.00 0.00 H new ATOM 1246 N ASP B 10 4.778 6.983 -4.134 1.00 0.00 N ATOM 1247 CA ASP B 10 3.458 7.473 -3.641 1.00 0.00 C ATOM 1248 C ASP B 10 2.331 6.794 -4.424 1.00 0.00 C ATOM 1249 O ASP B 10 1.386 6.283 -3.856 1.00 0.00 O ATOM 1250 CB ASP B 10 3.465 8.979 -3.906 1.00 0.00 C ATOM 1251 CG ASP B 10 3.046 9.723 -2.636 1.00 0.00 C ATOM 1252 OD1 ASP B 10 2.160 9.237 -1.953 1.00 0.00 O ATOM 1253 OD2 ASP B 10 3.619 10.767 -2.370 1.00 0.00 O ATOM 0 H ASP B 10 5.275 7.627 -4.750 1.00 0.00 H new ATOM 0 HA ASP B 10 3.299 7.252 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP B 10 4.459 9.300 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.783 9.219 -4.722 1.00 0.00 H new ATOM 1258 N ILE B 11 2.429 6.772 -5.727 1.00 0.00 N ATOM 1259 CA ILE B 11 1.373 6.111 -6.539 1.00 0.00 C ATOM 1260 C ILE B 11 1.204 4.674 -6.056 1.00 0.00 C ATOM 1261 O ILE B 11 0.148 4.085 -6.167 1.00 0.00 O ATOM 1262 CB ILE B 11 1.873 6.191 -7.995 1.00 0.00 C ATOM 1263 CG1 ILE B 11 0.750 6.654 -8.886 1.00 0.00 C ATOM 1264 CG2 ILE B 11 2.324 4.838 -8.524 1.00 0.00 C ATOM 1265 CD1 ILE B 11 1.345 7.041 -10.239 1.00 0.00 C ATOM 0 H ILE B 11 3.195 7.183 -6.261 1.00 0.00 H new ATOM 0 HA ILE B 11 0.394 6.583 -6.452 1.00 0.00 H new ATOM 0 HB ILE B 11 2.716 6.882 -8.001 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.010 5.863 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.236 7.505 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.667 4.946 -9.553 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.139 4.459 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.489 4.138 -8.492 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.550 7.380 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE B 11 2.070 7.843 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.841 6.176 -10.679 1.00 0.00 H new ATOM 1277 N PHE B 12 2.238 4.111 -5.505 1.00 0.00 N ATOM 1278 CA PHE B 12 2.135 2.720 -5.000 1.00 0.00 C ATOM 1279 C PHE B 12 2.036 2.726 -3.477 1.00 0.00 C ATOM 1280 O PHE B 12 1.993 1.689 -2.845 1.00 0.00 O ATOM 1281 CB PHE B 12 3.427 2.030 -5.432 1.00 0.00 C ATOM 1282 CG PHE B 12 3.452 1.778 -6.927 1.00 0.00 C ATOM 1283 CD1 PHE B 12 2.436 2.238 -7.765 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.521 1.076 -7.464 1.00 0.00 C ATOM 1285 CE1 PHE B 12 2.502 1.990 -9.146 1.00 0.00 C ATOM 1286 CE2 PHE B 12 4.597 0.824 -8.833 1.00 0.00 C ATOM 1287 CZ PHE B 12 3.587 1.281 -9.679 1.00 0.00 C ATOM 0 H PHE B 12 3.149 4.554 -5.383 1.00 0.00 H new ATOM 0 HA PHE B 12 1.252 2.212 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.281 2.647 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.530 1.084 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE B 12 1.600 2.784 -7.353 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.305 0.720 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE B 12 1.717 2.346 -9.797 1.00 0.00 H new ATOM 0 HE2 PHE B 12 5.436 0.276 -9.237 1.00 0.00 H new ATOM 0 HZ PHE B 12 3.641 1.089 -10.741 1.00 0.00 H new ATOM 1297 N GLY B 13 2.015 3.885 -2.878 1.00 0.00 N ATOM 1298 CA GLY B 13 1.937 3.948 -1.396 1.00 0.00 C ATOM 1299 C GLY B 13 3.182 3.286 -0.811 1.00 0.00 C ATOM 1300 O GLY B 13 3.258 3.015 0.370 1.00 0.00 O ATOM 0 H GLY B 13 2.048 4.788 -3.352 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.869 4.984 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.039 3.441 -1.043 1.00 0.00 H new ATOM 1304 N ALA B 14 4.163 3.021 -1.632 1.00 0.00 N ATOM 1305 CA ALA B 14 5.400 2.376 -1.120 1.00 0.00 C ATOM 1306 C ALA B 14 6.333 3.429 -0.535 1.00 0.00 C ATOM 1307 O ALA B 14 5.994 4.590 -0.422 1.00 0.00 O ATOM 1308 CB ALA B 14 6.070 1.737 -2.341 1.00 0.00 C ATOM 0 H ALA B 14 4.159 3.224 -2.632 1.00 0.00 H new ATOM 0 HA ALA B 14 5.177 1.647 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.991 1.242 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.396 1.004 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.300 2.509 -3.075 1.00 0.00 H new ATOM 1314 N SER B 15 7.525 3.033 -0.208 1.00 0.00 N ATOM 1315 CA SER B 15 8.512 4.001 0.318 1.00 0.00 C ATOM 1316 C SER B 15 9.567 4.201 -0.754 1.00 0.00 C ATOM 1317 O SER B 15 10.044 3.260 -1.353 1.00 0.00 O ATOM 1318 CB SER B 15 9.106 3.354 1.561 1.00 0.00 C ATOM 1319 OG SER B 15 8.153 3.397 2.617 1.00 0.00 O ATOM 0 H SER B 15 7.859 2.072 -0.284 1.00 0.00 H new ATOM 0 HA SER B 15 8.084 4.971 0.569 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.384 2.322 1.349 1.00 0.00 H new ATOM 0 HB3 SER B 15 10.016 3.876 1.856 1.00 0.00 H new ATOM 0 HG SER B 15 8.533 2.979 3.418 1.00 0.00 H new ATOM 1325 N ILE B 16 9.916 5.408 -1.027 1.00 0.00 N ATOM 1326 CA ILE B 16 10.920 5.642 -2.098 1.00 0.00 C ATOM 1327 C ILE B 16 12.137 4.754 -1.872 1.00 0.00 C ATOM 1328 O ILE B 16 12.762 4.294 -2.806 1.00 0.00 O ATOM 1329 CB ILE B 16 11.290 7.119 -2.020 1.00 0.00 C ATOM 1330 CG1 ILE B 16 10.007 7.946 -1.802 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.963 7.504 -3.336 1.00 0.00 C ATOM 1332 CD1 ILE B 16 10.102 9.303 -2.495 1.00 0.00 C ATOM 0 H ILE B 16 9.559 6.244 -0.565 1.00 0.00 H new ATOM 0 HA ILE B 16 10.527 5.397 -3.085 1.00 0.00 H new ATOM 0 HB ILE B 16 11.971 7.313 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.147 7.397 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.841 8.090 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.239 8.558 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.858 6.898 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.273 7.331 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE B 16 9.183 9.864 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE B 16 10.948 9.860 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE B 16 10.243 9.156 -3.566 1.00 0.00 H new ATOM 1344 N ARG B 17 12.463 4.475 -0.643 1.00 0.00 N ATOM 1345 CA ARG B 17 13.618 3.584 -0.385 1.00 0.00 C ATOM 1346 C ARG B 17 13.331 2.249 -1.084 1.00 0.00 C ATOM 1347 O ARG B 17 14.224 1.557 -1.532 1.00 0.00 O ATOM 1348 CB ARG B 17 13.685 3.478 1.143 1.00 0.00 C ATOM 1349 CG ARG B 17 13.168 2.130 1.623 1.00 0.00 C ATOM 1350 CD ARG B 17 11.666 2.085 1.392 1.00 0.00 C ATOM 1351 NE ARG B 17 11.069 1.973 2.752 1.00 0.00 N ATOM 1352 CZ ARG B 17 10.905 0.798 3.297 1.00 0.00 C ATOM 1353 NH1 ARG B 17 9.892 0.052 2.948 1.00 0.00 N ATOM 1354 NH2 ARG B 17 11.755 0.370 4.189 1.00 0.00 N ATOM 0 H ARG B 17 11.982 4.824 0.186 1.00 0.00 H new ATOM 0 HA ARG B 17 14.577 3.935 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.714 3.615 1.475 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.096 4.278 1.592 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.660 1.321 1.083 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.394 1.991 2.680 1.00 0.00 H new ATOM 0 HD2 ARG B 17 11.318 2.983 0.881 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.388 1.236 0.768 1.00 0.00 H new ATOM 0 HE ARG B 17 10.789 2.814 3.257 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.229 0.387 2.249 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.764 -0.866 3.374 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.547 0.953 4.460 1.00 0.00 H new ATOM 0 HH22 ARG B 17 11.628 -0.548 4.615 1.00 0.00 H new ATOM 1368 N THR B 18 12.071 1.927 -1.226 1.00 0.00 N ATOM 1369 CA THR B 18 11.688 0.680 -1.951 1.00 0.00 C ATOM 1370 C THR B 18 11.903 0.949 -3.431 1.00 0.00 C ATOM 1371 O THR B 18 12.380 0.112 -4.172 1.00 0.00 O ATOM 1372 CB THR B 18 10.197 0.457 -1.662 1.00 0.00 C ATOM 1373 OG1 THR B 18 9.998 0.244 -0.271 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.693 -0.761 -2.445 1.00 0.00 C ATOM 0 H THR B 18 11.289 2.476 -0.870 1.00 0.00 H new ATOM 0 HA THR B 18 12.265 -0.194 -1.649 1.00 0.00 H new ATOM 0 HB THR B 18 9.641 1.342 -1.972 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.044 0.104 -0.095 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.634 -0.915 -2.236 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.831 -0.590 -3.513 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.255 -1.645 -2.143 1.00 0.00 H new ATOM 1382 N ILE B 19 11.577 2.142 -3.855 1.00 0.00 N ATOM 1383 CA ILE B 19 11.786 2.506 -5.276 1.00 0.00 C ATOM 1384 C ILE B 19 13.281 2.457 -5.571 1.00 0.00 C ATOM 1385 O ILE B 19 13.705 2.080 -6.647 1.00 0.00 O ATOM 1386 CB ILE B 19 11.264 3.935 -5.410 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.825 4.004 -4.903 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.297 4.351 -6.879 1.00 0.00 C ATOM 1389 CD1 ILE B 19 8.984 2.962 -5.636 1.00 0.00 C ATOM 0 H ILE B 19 11.175 2.877 -3.273 1.00 0.00 H new ATOM 0 HA ILE B 19 11.278 1.834 -5.968 1.00 0.00 H new ATOM 0 HB ILE B 19 11.891 4.605 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.796 3.822 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.416 5.001 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.925 5.371 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.321 4.302 -7.248 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.668 3.678 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.956 3.007 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE B 19 9.005 3.166 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.391 1.968 -5.448 1.00 0.00 H new ATOM 1401 N GLN B 20 14.082 2.809 -4.604 1.00 0.00 N ATOM 1402 CA GLN B 20 15.550 2.759 -4.800 1.00 0.00 C ATOM 1403 C GLN B 20 15.958 1.298 -4.874 1.00 0.00 C ATOM 1404 O GLN B 20 16.958 0.942 -5.465 1.00 0.00 O ATOM 1405 CB GLN B 20 16.144 3.437 -3.564 1.00 0.00 C ATOM 1406 CG GLN B 20 15.650 4.883 -3.490 1.00 0.00 C ATOM 1407 CD GLN B 20 16.825 5.811 -3.178 1.00 0.00 C ATOM 1408 OE1 GLN B 20 16.746 6.626 -2.282 1.00 0.00 O ATOM 1409 NE2 GLN B 20 17.918 5.723 -3.885 1.00 0.00 N ATOM 0 H GLN B 20 13.778 3.130 -3.685 1.00 0.00 H new ATOM 0 HA GLN B 20 15.890 3.254 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.853 2.895 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.233 3.415 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN B 20 15.189 5.169 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.884 4.977 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.985 5.038 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.706 6.339 -3.685 1.00 0.00 H new ATOM 1418 N ASN B 21 15.160 0.443 -4.296 1.00 0.00 N ATOM 1419 CA ASN B 21 15.471 -1.003 -4.353 1.00 0.00 C ATOM 1420 C ASN B 21 14.894 -1.567 -5.646 1.00 0.00 C ATOM 1421 O ASN B 21 15.326 -2.583 -6.152 1.00 0.00 O ATOM 1422 CB ASN B 21 14.786 -1.611 -3.129 1.00 0.00 C ATOM 1423 CG ASN B 21 15.041 -3.119 -3.088 1.00 0.00 C ATOM 1424 OD1 ASN B 21 14.126 -3.904 -3.235 1.00 0.00 O ATOM 1425 ND2 ASN B 21 16.253 -3.560 -2.887 1.00 0.00 N ATOM 0 H ASN B 21 14.309 0.687 -3.789 1.00 0.00 H new ATOM 0 HA ASN B 21 16.539 -1.219 -4.344 1.00 0.00 H new ATOM 0 HB2 ASN B 21 15.164 -1.144 -2.220 1.00 0.00 H new ATOM 0 HB3 ASN B 21 13.714 -1.415 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN B 21 16.431 -4.564 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN B 21 17.022 -2.901 -2.764 1.00 0.00 H new ATOM 1432 N TRP B 22 13.930 -0.885 -6.191 1.00 0.00 N ATOM 1433 CA TRP B 22 13.314 -1.331 -7.464 1.00 0.00 C ATOM 1434 C TRP B 22 14.245 -0.993 -8.616 1.00 0.00 C ATOM 1435 O TRP B 22 14.557 -1.820 -9.450 1.00 0.00 O ATOM 1436 CB TRP B 22 12.037 -0.516 -7.573 1.00 0.00 C ATOM 1437 CG TRP B 22 11.048 -1.022 -6.586 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.284 -1.973 -5.656 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.669 -0.625 -6.428 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.125 -2.187 -4.939 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.099 -1.377 -5.379 1.00 0.00 C ATOM 1442 CE3 TRP B 22 8.870 0.306 -7.096 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 7.768 -1.208 -5.002 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.537 0.483 -6.727 1.00 0.00 C ATOM 1445 CH2 TRP B 22 6.982 -0.274 -5.679 1.00 0.00 C ATOM 0 H TRP B 22 13.539 -0.027 -5.802 1.00 0.00 H new ATOM 0 HA TRP B 22 13.124 -2.404 -7.493 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.247 0.537 -7.388 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.631 -0.588 -8.582 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.224 -2.481 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.038 -2.861 -4.178 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.287 0.892 -7.902 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.350 -1.793 -4.196 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 6.927 1.205 -7.249 1.00 0.00 H new ATOM 0 HH2 TRP B 22 5.949 -0.133 -5.399 1.00 0.00 H new ATOM 1456 N GLN B 23 14.701 0.225 -8.660 1.00 0.00 N ATOM 1457 CA GLN B 23 15.622 0.623 -9.746 1.00 0.00 C ATOM 1458 C GLN B 23 16.748 -0.402 -9.833 1.00 0.00 C ATOM 1459 O GLN B 23 17.358 -0.596 -10.866 1.00 0.00 O ATOM 1460 CB GLN B 23 16.163 1.989 -9.334 1.00 0.00 C ATOM 1461 CG GLN B 23 16.135 2.920 -10.542 1.00 0.00 C ATOM 1462 CD GLN B 23 17.550 3.423 -10.834 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.470 3.152 -10.088 1.00 0.00 O ATOM 1464 NE2 GLN B 23 17.764 4.149 -11.896 1.00 0.00 N ATOM 0 H GLN B 23 14.474 0.959 -7.989 1.00 0.00 H new ATOM 0 HA GLN B 23 15.138 0.670 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN B 23 15.561 2.404 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN B 23 17.181 1.892 -8.957 1.00 0.00 H new ATOM 0 HG2 GLN B 23 15.739 2.394 -11.410 1.00 0.00 H new ATOM 0 HG3 GLN B 23 15.471 3.763 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN B 23 16.992 4.377 -12.522 1.00 0.00 H new ATOM 0 HE22 GLN B 23 18.704 4.489 -12.100 1.00 0.00 H new ATOM 1473 N GLU B 24 17.024 -1.060 -8.740 1.00 0.00 N ATOM 1474 CA GLU B 24 18.110 -2.079 -8.732 1.00 0.00 C ATOM 1475 C GLU B 24 17.527 -3.491 -8.914 1.00 0.00 C ATOM 1476 O GLU B 24 18.246 -4.470 -8.919 1.00 0.00 O ATOM 1477 CB GLU B 24 18.788 -1.902 -7.359 1.00 0.00 C ATOM 1478 CG GLU B 24 18.443 -3.063 -6.421 1.00 0.00 C ATOM 1479 CD GLU B 24 19.251 -2.932 -5.129 1.00 0.00 C ATOM 1480 OE1 GLU B 24 20.464 -3.041 -5.200 1.00 0.00 O ATOM 1481 OE2 GLU B 24 18.643 -2.723 -4.092 1.00 0.00 O ATOM 0 H GLU B 24 16.542 -0.935 -7.850 1.00 0.00 H new ATOM 0 HA GLU B 24 18.821 -1.953 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU B 24 19.869 -1.843 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU B 24 18.469 -0.961 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU B 24 17.376 -3.059 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU B 24 18.664 -4.014 -6.906 1.00 0.00 H new ATOM 1488 N GLN B 25 16.234 -3.606 -9.054 1.00 0.00 N ATOM 1489 CA GLN B 25 15.621 -4.957 -9.224 1.00 0.00 C ATOM 1490 C GLN B 25 15.221 -5.192 -10.679 1.00 0.00 C ATOM 1491 O GLN B 25 14.478 -6.102 -10.993 1.00 0.00 O ATOM 1492 CB GLN B 25 14.389 -4.941 -8.325 1.00 0.00 C ATOM 1493 CG GLN B 25 14.795 -5.366 -6.916 1.00 0.00 C ATOM 1494 CD GLN B 25 13.561 -5.436 -6.011 1.00 0.00 C ATOM 1495 OE1 GLN B 25 13.687 -5.554 -4.809 1.00 0.00 O ATOM 1496 NE2 GLN B 25 12.365 -5.374 -6.535 1.00 0.00 N ATOM 0 H GLN B 25 15.576 -2.826 -9.058 1.00 0.00 H new ATOM 0 HA GLN B 25 16.314 -5.757 -8.962 1.00 0.00 H new ATOM 0 HB2 GLN B 25 13.950 -3.943 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN B 25 13.628 -5.616 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN B 25 15.287 -6.338 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN B 25 15.515 -4.657 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN B 25 12.255 -5.275 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN B 25 11.542 -5.425 -5.935 1.00 0.00 H new ATOM 1505 N GLY B 26 15.706 -4.378 -11.570 1.00 0.00 N ATOM 1506 CA GLY B 26 15.353 -4.552 -13.009 1.00 0.00 C ATOM 1507 C GLY B 26 14.030 -3.843 -13.291 1.00 0.00 C ATOM 1508 O GLY B 26 13.213 -4.313 -14.058 1.00 0.00 O ATOM 0 H GLY B 26 16.332 -3.599 -11.367 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.141 -4.142 -13.641 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.270 -5.612 -13.250 1.00 0.00 H new ATOM 1512 N MET B 27 13.812 -2.719 -12.670 1.00 0.00 N ATOM 1513 CA MET B 27 12.538 -1.979 -12.893 1.00 0.00 C ATOM 1514 C MET B 27 12.659 -1.044 -14.106 1.00 0.00 C ATOM 1515 O MET B 27 13.725 -0.544 -14.408 1.00 0.00 O ATOM 1516 CB MET B 27 12.305 -1.215 -11.585 1.00 0.00 C ATOM 1517 CG MET B 27 12.914 0.178 -11.679 1.00 0.00 C ATOM 1518 SD MET B 27 11.676 1.301 -12.359 1.00 0.00 S ATOM 1519 CE MET B 27 11.584 2.375 -10.913 1.00 0.00 C ATOM 0 H MET B 27 14.461 -2.280 -12.017 1.00 0.00 H new ATOM 0 HA MET B 27 11.698 -2.635 -13.122 1.00 0.00 H new ATOM 0 HB2 MET B 27 11.236 -1.141 -11.383 1.00 0.00 H new ATOM 0 HB3 MET B 27 12.750 -1.760 -10.752 1.00 0.00 H new ATOM 0 HG2 MET B 27 13.234 0.519 -10.694 1.00 0.00 H new ATOM 0 HG3 MET B 27 13.800 0.162 -12.314 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.849 3.160 -11.089 1.00 0.00 H new ATOM 0 HE2 MET B 27 11.287 1.789 -10.043 1.00 0.00 H new ATOM 0 HE3 MET B 27 12.560 2.825 -10.732 1.00 0.00 H new ATOM 1529 N PRO B 28 11.551 -0.873 -14.775 1.00 0.00 N ATOM 1530 CA PRO B 28 11.503 -0.030 -15.992 1.00 0.00 C ATOM 1531 C PRO B 28 11.330 1.466 -15.682 1.00 0.00 C ATOM 1532 O PRO B 28 10.241 2.010 -15.796 1.00 0.00 O ATOM 1533 CB PRO B 28 10.269 -0.551 -16.721 1.00 0.00 C ATOM 1534 CG PRO B 28 9.389 -1.135 -15.656 1.00 0.00 C ATOM 1535 CD PRO B 28 10.247 -1.457 -14.459 1.00 0.00 C ATOM 0 HA PRO B 28 12.431 -0.095 -16.561 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.760 0.252 -17.253 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.540 -1.303 -17.462 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.604 -0.430 -15.382 1.00 0.00 H new ATOM 0 HG3 PRO B 28 8.895 -2.035 -16.023 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.831 -1.030 -13.546 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.322 -2.533 -14.302 1.00 0.00 H new ATOM 1543 N VAL B 29 12.387 2.162 -15.348 1.00 0.00 N ATOM 1544 CA VAL B 29 12.235 3.620 -15.114 1.00 0.00 C ATOM 1545 C VAL B 29 12.129 4.301 -16.481 1.00 0.00 C ATOM 1546 O VAL B 29 12.114 3.645 -17.503 1.00 0.00 O ATOM 1547 CB VAL B 29 13.485 4.089 -14.368 1.00 0.00 C ATOM 1548 CG1 VAL B 29 13.862 3.143 -13.239 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.633 4.141 -15.325 1.00 0.00 C ATOM 0 H VAL B 29 13.329 1.789 -15.230 1.00 0.00 H new ATOM 0 HA VAL B 29 11.348 3.860 -14.527 1.00 0.00 H new ATOM 0 HB VAL B 29 13.267 5.070 -13.945 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.755 3.514 -12.736 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.041 3.084 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.061 2.152 -13.646 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.529 4.475 -14.801 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.805 3.148 -15.741 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.403 4.838 -16.131 1.00 0.00 H new ATOM 1559 N LEU B 30 12.062 5.595 -16.520 1.00 0.00 N ATOM 1560 CA LEU B 30 11.967 6.282 -17.837 1.00 0.00 C ATOM 1561 C LEU B 30 13.346 6.720 -18.303 1.00 0.00 C ATOM 1562 O LEU B 30 13.847 6.290 -19.323 1.00 0.00 O ATOM 1563 CB LEU B 30 11.100 7.507 -17.583 1.00 0.00 C ATOM 1564 CG LEU B 30 9.782 7.336 -18.318 1.00 0.00 C ATOM 1565 CD1 LEU B 30 8.912 6.364 -17.537 1.00 0.00 C ATOM 1566 CD2 LEU B 30 9.085 8.688 -18.426 1.00 0.00 C ATOM 0 H LEU B 30 12.068 6.208 -15.705 1.00 0.00 H new ATOM 0 HA LEU B 30 11.553 5.630 -18.606 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.923 7.629 -16.514 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.609 8.407 -17.926 1.00 0.00 H new ATOM 0 HG LEU B 30 9.957 6.947 -19.321 1.00 0.00 H new ATOM 0 HD11 LEU B 30 7.961 6.231 -18.053 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.420 5.403 -17.459 1.00 0.00 H new ATOM 0 HD13 LEU B 30 8.730 6.760 -16.538 1.00 0.00 H new ATOM 0 HD21 LEU B 30 8.139 8.568 -18.953 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.897 9.081 -17.427 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.721 9.382 -18.975 1.00 0.00 H new ATOM 1697 N LEU B 40 12.978 8.982 -14.400 1.00 0.00 N ATOM 1698 CA LEU B 40 11.513 8.939 -14.156 1.00 0.00 C ATOM 1699 C LEU B 40 11.078 7.484 -14.105 1.00 0.00 C ATOM 1700 O LEU B 40 11.897 6.589 -14.110 1.00 0.00 O ATOM 1701 CB LEU B 40 10.888 9.642 -15.364 1.00 0.00 C ATOM 1702 CG LEU B 40 10.529 11.079 -14.995 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.290 11.079 -14.097 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.705 11.723 -14.257 1.00 0.00 C ATOM 0 HA LEU B 40 11.217 9.416 -13.222 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.585 9.635 -16.202 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.996 9.106 -15.687 1.00 0.00 H new ATOM 0 HG LEU B 40 10.317 11.648 -15.900 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.032 12.105 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.456 10.621 -14.628 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.498 10.512 -13.190 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.451 12.749 -13.993 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.919 11.157 -13.350 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.584 11.722 -14.902 1.00 0.00 H new ATOM 1716 N TYR B 41 9.812 7.224 -14.064 1.00 0.00 N ATOM 1717 CA TYR B 41 9.373 5.809 -14.023 1.00 0.00 C ATOM 1718 C TYR B 41 8.017 5.669 -14.691 1.00 0.00 C ATOM 1719 O TYR B 41 7.059 6.307 -14.303 1.00 0.00 O ATOM 1720 CB TYR B 41 9.263 5.458 -12.542 1.00 0.00 C ATOM 1721 CG TYR B 41 10.548 5.790 -11.823 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.701 5.029 -12.056 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.580 6.840 -10.897 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.881 5.316 -11.361 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.761 7.127 -10.212 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.911 6.365 -10.439 1.00 0.00 C ATOM 1727 OH TYR B 41 14.071 6.641 -9.746 1.00 0.00 O ATOM 0 H TYR B 41 9.066 7.920 -14.057 1.00 0.00 H new ATOM 0 HA TYR B 41 10.068 5.152 -14.545 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.436 6.007 -12.093 1.00 0.00 H new ATOM 0 HB3 TYR B 41 9.040 4.397 -12.429 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.679 4.221 -12.772 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.692 7.427 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.769 4.727 -11.537 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.787 7.941 -9.503 1.00 0.00 H new ATOM 0 HH TYR B 41 14.497 7.437 -10.126 1.00 0.00 H new ATOM 1737 N ASP B 42 7.914 4.839 -15.686 1.00 0.00 N ATOM 1738 CA ASP B 42 6.597 4.685 -16.341 1.00 0.00 C ATOM 1739 C ASP B 42 5.627 4.148 -15.297 1.00 0.00 C ATOM 1740 O ASP B 42 5.513 2.955 -15.103 1.00 0.00 O ATOM 1741 CB ASP B 42 6.821 3.694 -17.480 1.00 0.00 C ATOM 1742 CG ASP B 42 6.837 4.445 -18.813 1.00 0.00 C ATOM 1743 OD1 ASP B 42 5.877 5.147 -19.086 1.00 0.00 O ATOM 1744 OD2 ASP B 42 7.808 4.306 -19.537 1.00 0.00 O ATOM 0 H ASP B 42 8.671 4.271 -16.067 1.00 0.00 H new ATOM 0 HA ASP B 42 6.183 5.613 -16.736 1.00 0.00 H new ATOM 0 HB2 ASP B 42 7.764 3.166 -17.337 1.00 0.00 H new ATOM 0 HB3 ASP B 42 6.032 2.942 -17.483 1.00 0.00 H new ATOM 1749 N SER B 43 4.962 5.035 -14.601 1.00 0.00 N ATOM 1750 CA SER B 43 4.015 4.611 -13.530 1.00 0.00 C ATOM 1751 C SER B 43 3.313 3.317 -13.914 1.00 0.00 C ATOM 1752 O SER B 43 2.965 2.534 -13.068 1.00 0.00 O ATOM 1753 CB SER B 43 3.016 5.758 -13.399 1.00 0.00 C ATOM 1754 OG SER B 43 1.714 5.286 -13.697 1.00 0.00 O ATOM 0 H SER B 43 5.037 6.044 -14.732 1.00 0.00 H new ATOM 0 HA SER B 43 4.527 4.414 -12.588 1.00 0.00 H new ATOM 0 HB2 SER B 43 3.044 6.166 -12.388 1.00 0.00 H new ATOM 0 HB3 SER B 43 3.285 6.568 -14.077 1.00 0.00 H new ATOM 0 HG SER B 43 1.462 4.592 -13.052 1.00 0.00 H new ATOM 1760 N ALA B 44 3.118 3.074 -15.179 1.00 0.00 N ATOM 1761 CA ALA B 44 2.455 1.806 -15.590 1.00 0.00 C ATOM 1762 C ALA B 44 3.506 0.727 -15.811 1.00 0.00 C ATOM 1763 O ALA B 44 3.395 -0.380 -15.324 1.00 0.00 O ATOM 1764 CB ALA B 44 1.748 2.125 -16.893 1.00 0.00 C ATOM 0 H ALA B 44 3.387 3.694 -15.943 1.00 0.00 H new ATOM 0 HA ALA B 44 1.760 1.439 -14.834 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.236 1.234 -17.257 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.021 2.920 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.479 2.451 -17.633 1.00 0.00 H new ATOM 1770 N ALA B 45 4.543 1.050 -16.520 1.00 0.00 N ATOM 1771 CA ALA B 45 5.612 0.051 -16.737 1.00 0.00 C ATOM 1772 C ALA B 45 6.196 -0.277 -15.374 1.00 0.00 C ATOM 1773 O ALA B 45 6.752 -1.333 -15.146 1.00 0.00 O ATOM 1774 CB ALA B 45 6.651 0.747 -17.619 1.00 0.00 C ATOM 0 H ALA B 45 4.696 1.959 -16.957 1.00 0.00 H new ATOM 0 HA ALA B 45 5.269 -0.870 -17.208 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.475 0.062 -17.820 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.189 1.045 -18.560 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.031 1.630 -17.106 1.00 0.00 H new ATOM 1780 N VAL B 46 6.053 0.643 -14.460 1.00 0.00 N ATOM 1781 CA VAL B 46 6.572 0.430 -13.092 1.00 0.00 C ATOM 1782 C VAL B 46 5.693 -0.563 -12.343 1.00 0.00 C ATOM 1783 O VAL B 46 6.138 -1.221 -11.430 1.00 0.00 O ATOM 1784 CB VAL B 46 6.495 1.797 -12.421 1.00 0.00 C ATOM 1785 CG1 VAL B 46 6.865 1.665 -10.944 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.469 2.746 -13.102 1.00 0.00 C ATOM 0 H VAL B 46 5.593 1.541 -14.610 1.00 0.00 H new ATOM 0 HA VAL B 46 7.585 0.028 -13.099 1.00 0.00 H new ATOM 0 HB VAL B 46 5.481 2.187 -12.506 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.809 2.643 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.171 0.982 -10.455 1.00 0.00 H new ATOM 0 HG13 VAL B 46 7.879 1.276 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.417 3.725 -12.625 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.482 2.353 -13.014 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.207 2.842 -14.156 1.00 0.00 H new ATOM 1796 N ILE B 47 4.447 -0.673 -12.714 1.00 0.00 N ATOM 1797 CA ILE B 47 3.560 -1.636 -11.989 1.00 0.00 C ATOM 1798 C ILE B 47 3.568 -2.991 -12.666 1.00 0.00 C ATOM 1799 O ILE B 47 3.832 -3.995 -12.038 1.00 0.00 O ATOM 1800 CB ILE B 47 2.136 -1.072 -11.952 1.00 0.00 C ATOM 1801 CG1 ILE B 47 1.994 0.173 -12.821 1.00 0.00 C ATOM 1802 CG2 ILE B 47 1.834 -0.712 -10.513 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.703 0.922 -12.476 1.00 0.00 C ATOM 0 H ILE B 47 4.008 -0.151 -13.472 1.00 0.00 H new ATOM 0 HA ILE B 47 3.931 -1.767 -10.973 1.00 0.00 H new ATOM 0 HB ILE B 47 1.443 -1.819 -12.340 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.853 0.828 -12.672 1.00 0.00 H new ATOM 0 HG13 ILE B 47 1.988 -0.110 -13.874 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.825 -0.305 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE B 47 1.909 -1.604 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.550 0.033 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.617 1.808 -13.105 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.153 0.270 -12.649 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.725 1.222 -11.428 1.00 0.00 H new ATOM 1815 N LYS B 48 3.294 -3.041 -13.937 1.00 0.00 N ATOM 1816 CA LYS B 48 3.308 -4.350 -14.632 1.00 0.00 C ATOM 1817 C LYS B 48 4.544 -5.120 -14.166 1.00 0.00 C ATOM 1818 O LYS B 48 4.551 -6.331 -14.037 1.00 0.00 O ATOM 1819 CB LYS B 48 3.423 -3.995 -16.114 1.00 0.00 C ATOM 1820 CG LYS B 48 2.110 -4.305 -16.824 1.00 0.00 C ATOM 1821 CD LYS B 48 1.143 -3.135 -16.647 1.00 0.00 C ATOM 1822 CE LYS B 48 1.384 -2.106 -17.753 1.00 0.00 C ATOM 1823 NZ LYS B 48 0.102 -2.047 -18.507 1.00 0.00 N ATOM 0 H LYS B 48 3.063 -2.237 -14.520 1.00 0.00 H new ATOM 0 HA LYS B 48 2.430 -4.965 -14.435 1.00 0.00 H new ATOM 0 HB2 LYS B 48 3.667 -2.939 -16.226 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.236 -4.560 -16.570 1.00 0.00 H new ATOM 0 HG2 LYS B 48 2.291 -4.483 -17.884 1.00 0.00 H new ATOM 0 HG3 LYS B 48 1.672 -5.217 -16.418 1.00 0.00 H new ATOM 0 HD2 LYS B 48 0.113 -3.491 -16.684 1.00 0.00 H new ATOM 0 HD3 LYS B 48 1.286 -2.675 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS B 48 1.643 -1.132 -17.337 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.209 -2.406 -18.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.300 -1.892 -19.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -0.412 -2.943 -18.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.479 -1.265 -18.144 1.00 0.00 H new ATOM 1837 N TRP B 49 5.587 -4.387 -13.889 1.00 0.00 N ATOM 1838 CA TRP B 49 6.856 -4.997 -13.404 1.00 0.00 C ATOM 1839 C TRP B 49 6.835 -5.091 -11.873 1.00 0.00 C ATOM 1840 O TRP B 49 7.431 -5.979 -11.296 1.00 0.00 O ATOM 1841 CB TRP B 49 7.939 -4.036 -13.898 1.00 0.00 C ATOM 1842 CG TRP B 49 9.179 -4.147 -13.068 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.312 -4.781 -13.446 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.437 -3.603 -11.742 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.254 -4.653 -12.440 1.00 0.00 N ATOM 1846 CE2 TRP B 49 10.762 -3.932 -11.368 1.00 0.00 C ATOM 1847 CE3 TRP B 49 8.659 -2.859 -10.837 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.294 -3.532 -10.145 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.194 -2.460 -9.601 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.510 -2.794 -9.261 1.00 0.00 C ATOM 0 H TRP B 49 5.613 -3.371 -13.980 1.00 0.00 H new ATOM 0 HA TRP B 49 7.020 -6.012 -13.767 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.175 -4.254 -14.940 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.565 -3.013 -13.863 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.458 -5.302 -14.381 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.196 -5.043 -12.484 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.644 -2.593 -11.094 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.309 -3.792 -9.883 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.587 -1.893 -8.910 1.00 0.00 H new ATOM 0 HH2 TRP B 49 10.918 -2.479 -8.312 1.00 0.00 H new ATOM 1861 N TYR B 50 6.134 -4.203 -11.204 1.00 0.00 N ATOM 1862 CA TYR B 50 6.067 -4.285 -9.716 1.00 0.00 C ATOM 1863 C TYR B 50 4.991 -5.306 -9.334 1.00 0.00 C ATOM 1864 O TYR B 50 4.978 -5.848 -8.247 1.00 0.00 O ATOM 1865 CB TYR B 50 5.696 -2.865 -9.248 1.00 0.00 C ATOM 1866 CG TYR B 50 4.818 -2.920 -8.016 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.459 -3.250 -8.132 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.368 -2.657 -6.759 1.00 0.00 C ATOM 1869 CE1 TYR B 50 2.655 -3.317 -6.986 1.00 0.00 C ATOM 1870 CE2 TYR B 50 4.566 -2.721 -5.614 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.209 -3.052 -5.726 1.00 0.00 C ATOM 1872 OH TYR B 50 2.418 -3.118 -4.597 1.00 0.00 O ATOM 0 H TYR B 50 5.612 -3.434 -11.623 1.00 0.00 H new ATOM 0 HA TYR B 50 7.000 -4.607 -9.254 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.602 -2.300 -9.030 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.176 -2.337 -10.048 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.033 -3.452 -9.104 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.414 -2.404 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.609 -3.573 -7.074 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.993 -2.515 -4.644 1.00 0.00 H new ATOM 0 HH TYR B 50 2.958 -2.908 -3.807 1.00 0.00 H new ATOM 1882 N ALA B 51 4.097 -5.576 -10.238 1.00 0.00 N ATOM 1883 CA ALA B 51 3.026 -6.563 -9.959 1.00 0.00 C ATOM 1884 C ALA B 51 3.573 -7.969 -10.174 1.00 0.00 C ATOM 1885 O ALA B 51 3.065 -8.938 -9.643 1.00 0.00 O ATOM 1886 CB ALA B 51 1.942 -6.255 -10.988 1.00 0.00 C ATOM 0 H ALA B 51 4.063 -5.152 -11.165 1.00 0.00 H new ATOM 0 HA ALA B 51 2.649 -6.507 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.107 -6.942 -10.853 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.594 -5.231 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.350 -6.372 -11.992 1.00 0.00 H new