USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 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 15 SER OG : rot 180:sc= 0.00988 USER MOD Set 1.2: B 18 THR OG1 : rot 171:sc= 0.0107 USER MOD Set 2.1: A 1 MET CE :methyl -134:sc= -5.65! (180deg=-9.17!) USER MOD Set 2.2: A 43 SER OG : rot 25:sc= -6.75! USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.532 (180deg=0.531) USER MOD Single : A 4 ASN : amide:sc= -2.4! C(o=-2.4!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.158 (180deg=-0.358) USER MOD Single : A 7 GLN : amide:sc= -0.505 K(o=-0.51,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 21 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.8) USER MOD Single : A 23 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.7) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 164:sc= -9.53! (180deg=-10.4!) USER MOD Single : A 41 TYR OH : rot 30:sc= -2.52! 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 1 MET CE :methyl 172:sc= -3.89! (180deg=-4.04!) USER MOD Single : B 1 MET N :NH3+ -111:sc= 0.52 (180deg=0) USER MOD Single : B 4 ASN :FLIP amide:sc= -1.09 F(o=-1.8,f=-1.1) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : B 20 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.68) USER MOD Single : B 21 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.9!) USER MOD Single : B 23 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.8!) USER MOD Single : B 25 GLN : amide:sc= -2.6! C(o=-2.6!,f=-6.8!) USER MOD Single : B 27 MET CE :methyl -148:sc= -14.4! (180deg=-17.4!) USER MOD Single : B 41 TYR OH : rot 165:sc= 0 USER MOD Single : B 43 SER OG : rot 70:sc= -13.8! 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 -1.345 7.273 -2.738 1.00 0.00 N ATOM 2 CA MET A 1 -1.831 8.249 -3.757 1.00 0.00 C ATOM 3 C MET A 1 -3.295 7.981 -4.090 1.00 0.00 C ATOM 4 O MET A 1 -3.742 6.852 -4.123 1.00 0.00 O ATOM 5 CB MET A 1 -0.965 8.012 -4.995 1.00 0.00 C ATOM 6 CG MET A 1 -1.584 8.705 -6.213 1.00 0.00 C ATOM 7 SD MET A 1 -0.444 9.967 -6.829 1.00 0.00 S ATOM 8 CE MET A 1 0.368 8.927 -8.065 1.00 0.00 C ATOM 0 H1 MET A 1 -0.357 7.488 -2.495 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.934 7.341 -1.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.405 6.309 -3.124 1.00 0.00 H new ATOM 0 HA MET A 1 -1.760 9.275 -3.397 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.041 8.394 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.872 6.942 -5.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.792 7.974 -6.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.536 9.161 -5.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.448 9.059 -7.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.119 7.882 -7.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.028 9.212 -9.061 1.00 0.00 H new ATOM 20 N GLU A 2 -4.033 9.011 -4.365 1.00 0.00 N ATOM 21 CA GLU A 2 -5.452 8.832 -4.729 1.00 0.00 C ATOM 22 C GLU A 2 -5.659 9.404 -6.130 1.00 0.00 C ATOM 23 O GLU A 2 -5.860 10.588 -6.313 1.00 0.00 O ATOM 24 CB GLU A 2 -6.235 9.614 -3.670 1.00 0.00 C ATOM 25 CG GLU A 2 -7.591 10.040 -4.226 1.00 0.00 C ATOM 26 CD GLU A 2 -8.361 10.823 -3.161 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.745 11.225 -2.189 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.554 11.007 -3.337 1.00 0.00 O ATOM 0 H GLU A 2 -3.708 9.978 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.777 7.792 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.375 8.998 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.668 10.492 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.453 10.655 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.162 9.163 -4.530 1.00 0.00 H new ATOM 35 N VAL A 3 -5.583 8.576 -7.128 1.00 0.00 N ATOM 36 CA VAL A 3 -5.758 9.079 -8.513 1.00 0.00 C ATOM 37 C VAL A 3 -7.191 8.816 -8.978 1.00 0.00 C ATOM 38 O VAL A 3 -7.905 8.026 -8.394 1.00 0.00 O ATOM 39 CB VAL A 3 -4.754 8.289 -9.343 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.386 8.318 -8.661 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.228 6.847 -9.483 1.00 0.00 C ATOM 0 H VAL A 3 -5.408 7.575 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.591 10.153 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.671 8.739 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.670 7.752 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.047 9.350 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.464 7.873 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.508 6.284 -10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.316 6.395 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.199 6.830 -9.977 1.00 0.00 H new ATOM 51 N ASN A 4 -7.626 9.474 -10.016 1.00 0.00 N ATOM 52 CA ASN A 4 -9.022 9.255 -10.494 1.00 0.00 C ATOM 53 C ASN A 4 -9.057 8.200 -11.602 1.00 0.00 C ATOM 54 O ASN A 4 -8.102 7.487 -11.824 1.00 0.00 O ATOM 55 CB ASN A 4 -9.497 10.617 -11.007 1.00 0.00 C ATOM 56 CG ASN A 4 -8.925 10.886 -12.398 1.00 0.00 C ATOM 57 OD1 ASN A 4 -9.465 10.437 -13.389 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.846 11.608 -12.515 1.00 0.00 N ATOM 0 H ASN A 4 -7.081 10.150 -10.552 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.670 8.882 -9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.586 10.640 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.184 11.402 -10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.456 11.796 -13.438 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.392 11.985 -11.683 1.00 0.00 H new ATOM 65 N LYS A 5 -10.162 8.090 -12.283 1.00 0.00 N ATOM 66 CA LYS A 5 -10.289 7.072 -13.363 1.00 0.00 C ATOM 67 C LYS A 5 -9.169 7.212 -14.392 1.00 0.00 C ATOM 68 O LYS A 5 -8.672 6.236 -14.918 1.00 0.00 O ATOM 69 CB LYS A 5 -11.630 7.373 -14.020 1.00 0.00 C ATOM 70 CG LYS A 5 -12.730 7.458 -12.964 1.00 0.00 C ATOM 71 CD LYS A 5 -13.656 6.254 -13.108 1.00 0.00 C ATOM 72 CE LYS A 5 -14.956 6.682 -13.793 1.00 0.00 C ATOM 73 NZ LYS A 5 -15.980 6.673 -12.710 1.00 0.00 N ATOM 0 H LYS A 5 -10.990 8.667 -12.137 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.225 6.058 -12.967 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.571 8.312 -14.570 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.871 6.595 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.292 7.478 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.295 8.383 -13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.166 5.474 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.873 5.830 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.861 7.672 -14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.224 5.996 -14.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.901 6.956 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.053 5.716 -12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.701 7.341 -11.963 1.00 0.00 H new ATOM 87 N LYS A 6 -8.775 8.414 -14.695 1.00 0.00 N ATOM 88 CA LYS A 6 -7.706 8.609 -15.696 1.00 0.00 C ATOM 89 C LYS A 6 -6.353 8.329 -15.071 1.00 0.00 C ATOM 90 O LYS A 6 -5.698 7.354 -15.380 1.00 0.00 O ATOM 91 CB LYS A 6 -7.822 10.077 -16.095 1.00 0.00 C ATOM 92 CG LYS A 6 -7.507 10.201 -17.572 1.00 0.00 C ATOM 93 CD LYS A 6 -7.189 11.656 -17.919 1.00 0.00 C ATOM 94 CE LYS A 6 -8.491 12.446 -18.063 1.00 0.00 C ATOM 95 NZ LYS A 6 -8.656 13.154 -16.763 1.00 0.00 N ATOM 0 H LYS A 6 -9.151 9.270 -14.288 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.802 7.941 -16.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.827 10.447 -15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.133 10.684 -15.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.659 9.564 -17.826 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.355 9.854 -18.163 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.568 12.099 -17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.619 11.703 -18.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.436 13.151 -18.892 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.334 11.785 -18.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.195 14.031 -16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.168 12.541 -16.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.720 13.385 -16.372 1.00 0.00 H new ATOM 109 N GLN A 7 -5.934 9.184 -14.194 1.00 0.00 N ATOM 110 CA GLN A 7 -4.622 8.984 -13.533 1.00 0.00 C ATOM 111 C GLN A 7 -4.439 7.509 -13.166 1.00 0.00 C ATOM 112 O GLN A 7 -3.385 6.956 -13.353 1.00 0.00 O ATOM 113 CB GLN A 7 -4.672 9.859 -12.282 1.00 0.00 C ATOM 114 CG GLN A 7 -4.724 11.336 -12.680 1.00 0.00 C ATOM 115 CD GLN A 7 -3.719 11.610 -13.799 1.00 0.00 C ATOM 116 OE1 GLN A 7 -4.036 11.472 -14.964 1.00 0.00 O ATOM 117 NE2 GLN A 7 -2.513 11.994 -13.494 1.00 0.00 N ATOM 0 H GLN A 7 -6.444 10.018 -13.903 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.784 9.252 -14.176 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.547 9.604 -11.684 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.796 9.671 -11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.729 11.597 -13.010 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.500 11.962 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.247 12.110 -12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.835 12.179 -14.233 1.00 0.00 H new ATOM 126 N LEU A 8 -5.459 6.859 -12.667 1.00 0.00 N ATOM 127 CA LEU A 8 -5.308 5.414 -12.319 1.00 0.00 C ATOM 128 C LEU A 8 -5.021 4.620 -13.591 1.00 0.00 C ATOM 129 O LEU A 8 -4.045 3.902 -13.681 1.00 0.00 O ATOM 130 CB LEU A 8 -6.655 5.000 -11.709 1.00 0.00 C ATOM 131 CG LEU A 8 -6.908 3.505 -11.934 1.00 0.00 C ATOM 132 CD1 LEU A 8 -5.731 2.693 -11.385 1.00 0.00 C ATOM 133 CD2 LEU A 8 -8.196 3.106 -11.211 1.00 0.00 C ATOM 0 H LEU A 8 -6.379 7.260 -12.487 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.488 5.230 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.660 5.219 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.459 5.583 -12.158 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.008 3.304 -13.001 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.915 1.631 -11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.816 2.985 -11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.624 2.884 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.385 2.044 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.091 3.305 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.030 3.684 -11.608 1.00 0.00 H new ATOM 145 N ALA A 9 -5.859 4.753 -14.582 1.00 0.00 N ATOM 146 CA ALA A 9 -5.617 4.009 -15.848 1.00 0.00 C ATOM 147 C ALA A 9 -4.313 4.515 -16.468 1.00 0.00 C ATOM 148 O ALA A 9 -3.609 3.795 -17.148 1.00 0.00 O ATOM 149 CB ALA A 9 -6.816 4.325 -16.743 1.00 0.00 C ATOM 0 H ALA A 9 -6.693 5.339 -14.570 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.519 2.933 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.705 3.808 -17.696 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.732 3.992 -16.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.867 5.400 -16.917 1.00 0.00 H new ATOM 155 N ASP A 10 -3.985 5.754 -16.215 1.00 0.00 N ATOM 156 CA ASP A 10 -2.720 6.328 -16.758 1.00 0.00 C ATOM 157 C ASP A 10 -1.530 5.831 -15.933 1.00 0.00 C ATOM 158 O ASP A 10 -0.534 5.387 -16.469 1.00 0.00 O ATOM 159 CB ASP A 10 -2.876 7.845 -16.612 1.00 0.00 C ATOM 160 CG ASP A 10 -2.421 8.531 -17.903 1.00 0.00 C ATOM 161 OD1 ASP A 10 -1.673 7.918 -18.646 1.00 0.00 O ATOM 162 OD2 ASP A 10 -2.827 9.661 -18.124 1.00 0.00 O ATOM 0 H ASP A 10 -4.543 6.397 -15.652 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.541 6.037 -17.793 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.916 8.096 -16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.284 8.203 -15.769 1.00 0.00 H new ATOM 167 N ILE A 11 -1.628 5.897 -14.632 1.00 0.00 N ATOM 168 CA ILE A 11 -0.506 5.420 -13.776 1.00 0.00 C ATOM 169 C ILE A 11 -0.259 3.935 -14.048 1.00 0.00 C ATOM 170 O ILE A 11 0.842 3.443 -13.916 1.00 0.00 O ATOM 171 CB ILE A 11 -0.956 5.699 -12.328 1.00 0.00 C ATOM 172 CG1 ILE A 11 0.174 6.337 -11.564 1.00 0.00 C ATOM 173 CG2 ILE A 11 -1.324 4.424 -11.586 1.00 0.00 C ATOM 174 CD1 ILE A 11 -0.372 6.832 -10.227 1.00 0.00 C ATOM 0 H ILE A 11 -2.436 6.260 -14.127 1.00 0.00 H new ATOM 0 HA ILE A 11 0.440 5.923 -13.976 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.829 6.349 -12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.978 5.618 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.596 7.166 -12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.635 4.671 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.142 3.925 -12.105 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.459 3.761 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.431 7.298 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.162 7.561 -10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.775 5.990 -9.664 1.00 0.00 H new ATOM 186 N PHE A 12 -1.273 3.228 -14.453 1.00 0.00 N ATOM 187 CA PHE A 12 -1.090 1.784 -14.766 1.00 0.00 C ATOM 188 C PHE A 12 -0.953 1.603 -16.277 1.00 0.00 C ATOM 189 O PHE A 12 -0.782 0.503 -16.765 1.00 0.00 O ATOM 190 CB PHE A 12 -2.363 1.084 -14.293 1.00 0.00 C ATOM 191 CG PHE A 12 -2.430 0.999 -12.784 1.00 0.00 C ATOM 192 CD1 PHE A 12 -1.534 1.700 -11.967 1.00 0.00 C ATOM 193 CD2 PHE A 12 -3.423 0.211 -12.205 1.00 0.00 C ATOM 194 CE1 PHE A 12 -1.646 1.608 -10.570 1.00 0.00 C ATOM 195 CE2 PHE A 12 -3.539 0.119 -10.819 1.00 0.00 C ATOM 196 CZ PHE A 12 -2.653 0.819 -9.999 1.00 0.00 C ATOM 0 H PHE A 12 -2.220 3.585 -14.581 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.200 1.380 -14.284 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.234 1.623 -14.666 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.404 0.080 -14.716 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.760 2.309 -12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.109 -0.334 -12.836 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.956 2.145 -9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.313 -0.493 -10.380 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.744 0.753 -8.925 1.00 0.00 H new ATOM 206 N GLY A 13 -1.046 2.669 -17.024 1.00 0.00 N ATOM 207 CA GLY A 13 -0.940 2.547 -18.503 1.00 0.00 C ATOM 208 C GLY A 13 -2.086 1.672 -19.004 1.00 0.00 C ATOM 209 O GLY A 13 -2.084 1.208 -20.126 1.00 0.00 O ATOM 0 H GLY A 13 -1.190 3.616 -16.674 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.985 3.532 -18.968 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.019 2.108 -18.778 1.00 0.00 H new ATOM 213 N ALA A 14 -3.070 1.447 -18.173 1.00 0.00 N ATOM 214 CA ALA A 14 -4.225 0.604 -18.590 1.00 0.00 C ATOM 215 C ALA A 14 -5.223 1.441 -19.378 1.00 0.00 C ATOM 216 O ALA A 14 -4.938 2.542 -19.804 1.00 0.00 O ATOM 217 CB ALA A 14 -4.888 0.142 -17.288 1.00 0.00 C ATOM 0 H ALA A 14 -3.122 1.812 -17.222 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.905 -0.229 -19.216 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.749 -0.485 -17.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.172 -0.429 -16.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.216 1.011 -16.718 1.00 0.00 H new ATOM 223 N SER A 15 -6.410 0.935 -19.528 1.00 0.00 N ATOM 224 CA SER A 15 -7.465 1.699 -20.233 1.00 0.00 C ATOM 225 C SER A 15 -8.496 2.113 -19.205 1.00 0.00 C ATOM 226 O SER A 15 -8.956 1.316 -18.417 1.00 0.00 O ATOM 227 CB SER A 15 -8.077 0.740 -21.247 1.00 0.00 C ATOM 228 OG SER A 15 -7.044 -0.011 -21.873 1.00 0.00 O ATOM 0 H SER A 15 -6.696 0.016 -19.189 1.00 0.00 H new ATOM 0 HA SER A 15 -7.086 2.590 -20.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.779 0.070 -20.752 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.641 1.297 -21.995 1.00 0.00 H new ATOM 0 HG SER A 15 -7.437 -0.629 -22.524 1.00 0.00 H new ATOM 234 N ILE A 16 -8.862 3.344 -19.194 1.00 0.00 N ATOM 235 CA ILE A 16 -9.867 3.779 -18.195 1.00 0.00 C ATOM 236 C ILE A 16 -11.068 2.854 -18.293 1.00 0.00 C ATOM 237 O ILE A 16 -11.807 2.659 -17.347 1.00 0.00 O ATOM 238 CB ILE A 16 -10.226 5.199 -18.588 1.00 0.00 C ATOM 239 CG1 ILE A 16 -8.923 5.985 -18.821 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.050 5.811 -17.460 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.091 7.453 -18.442 1.00 0.00 C ATOM 0 H ILE A 16 -8.518 4.069 -19.823 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.507 3.744 -17.167 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.814 5.226 -19.506 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.119 5.544 -18.232 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.631 5.908 -19.868 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.320 6.834 -17.721 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.956 5.223 -17.311 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.464 5.814 -16.541 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.155 7.983 -18.617 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.879 7.898 -19.050 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.359 7.528 -17.388 1.00 0.00 H new ATOM 253 N ARG A 17 -11.232 2.247 -19.429 1.00 0.00 N ATOM 254 CA ARG A 17 -12.352 1.284 -19.597 1.00 0.00 C ATOM 255 C ARG A 17 -12.077 0.130 -18.655 1.00 0.00 C ATOM 256 O ARG A 17 -12.962 -0.433 -18.041 1.00 0.00 O ATOM 257 CB ARG A 17 -12.299 0.764 -21.038 1.00 0.00 C ATOM 258 CG ARG A 17 -11.698 1.786 -21.995 1.00 0.00 C ATOM 259 CD ARG A 17 -12.410 3.134 -21.837 1.00 0.00 C ATOM 260 NE ARG A 17 -13.783 2.907 -22.372 1.00 0.00 N ATOM 261 CZ ARG A 17 -14.760 3.695 -22.018 1.00 0.00 C ATOM 262 NH1 ARG A 17 -14.845 4.118 -20.787 1.00 0.00 N ATOM 263 NH2 ARG A 17 -15.655 4.062 -22.896 1.00 0.00 N ATOM 0 H ARG A 17 -10.640 2.375 -20.250 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.322 1.737 -19.392 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.710 -0.153 -21.071 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.306 0.508 -21.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.633 1.902 -21.794 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.792 1.434 -23.022 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.439 3.445 -20.793 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.895 3.920 -22.390 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.958 2.135 -23.015 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.147 3.832 -20.100 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.610 4.734 -20.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.590 3.732 -23.859 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.419 4.678 -22.618 1.00 0.00 H new ATOM 277 N THR A 18 -10.823 -0.202 -18.527 1.00 0.00 N ATOM 278 CA THR A 18 -10.428 -1.289 -17.619 1.00 0.00 C ATOM 279 C THR A 18 -10.699 -0.814 -16.204 1.00 0.00 C ATOM 280 O THR A 18 -11.127 -1.560 -15.346 1.00 0.00 O ATOM 281 CB THR A 18 -8.931 -1.476 -17.863 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.720 -1.911 -19.198 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.361 -2.510 -16.893 1.00 0.00 C ATOM 0 H THR A 18 -10.053 0.245 -19.024 1.00 0.00 H new ATOM 0 HA THR A 18 -10.964 -2.225 -17.776 1.00 0.00 H new ATOM 0 HB THR A 18 -8.425 -0.524 -17.702 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.760 -2.029 -19.356 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.294 -2.633 -17.078 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.515 -2.171 -15.868 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.867 -3.464 -17.040 1.00 0.00 H new ATOM 291 N ILE A 19 -10.473 0.450 -15.971 1.00 0.00 N ATOM 292 CA ILE A 19 -10.740 1.010 -14.630 1.00 0.00 C ATOM 293 C ILE A 19 -12.237 0.914 -14.351 1.00 0.00 C ATOM 294 O ILE A 19 -12.661 0.661 -13.241 1.00 0.00 O ATOM 295 CB ILE A 19 -10.298 2.467 -14.707 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.828 2.537 -15.126 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.463 3.111 -13.334 1.00 0.00 C ATOM 298 CD1 ILE A 19 -8.012 1.563 -14.279 1.00 0.00 C ATOM 0 H ILE A 19 -10.114 1.114 -16.657 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.216 0.482 -13.834 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.907 2.995 -15.440 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.728 2.290 -16.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.450 3.551 -14.999 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.149 4.154 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.509 3.061 -13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.849 2.580 -12.607 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.964 1.612 -14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.103 1.831 -13.226 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.385 0.550 -14.429 1.00 0.00 H new ATOM 310 N GLN A 20 -13.038 1.083 -15.369 1.00 0.00 N ATOM 311 CA GLN A 20 -14.505 0.969 -15.188 1.00 0.00 C ATOM 312 C GLN A 20 -14.823 -0.496 -14.935 1.00 0.00 C ATOM 313 O GLN A 20 -15.813 -0.841 -14.321 1.00 0.00 O ATOM 314 CB GLN A 20 -15.115 1.435 -16.511 1.00 0.00 C ATOM 315 CG GLN A 20 -14.774 2.908 -16.745 1.00 0.00 C ATOM 316 CD GLN A 20 -16.063 3.699 -16.976 1.00 0.00 C ATOM 317 OE1 GLN A 20 -16.479 3.903 -18.197 1.00 0.00 O flip ATOM 318 NE2 GLN A 20 -16.698 4.136 -16.037 1.00 0.00 N flip ATOM 0 H GLN A 20 -12.734 1.296 -16.319 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.892 1.559 -14.357 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.733 0.828 -17.332 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.197 1.301 -16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.238 3.309 -15.885 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.114 3.007 -17.607 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.373 3.977 -15.083 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.556 4.662 -16.202 1.00 0.00 H new ATOM 327 N ASN A 21 -13.962 -1.364 -15.397 1.00 0.00 N ATOM 328 CA ASN A 21 -14.179 -2.814 -15.175 1.00 0.00 C ATOM 329 C ASN A 21 -13.585 -3.194 -13.826 1.00 0.00 C ATOM 330 O ASN A 21 -14.006 -4.135 -13.182 1.00 0.00 O ATOM 331 CB ASN A 21 -13.440 -3.511 -16.319 1.00 0.00 C ATOM 332 CG ASN A 21 -13.919 -2.941 -17.655 1.00 0.00 C ATOM 333 OD1 ASN A 21 -13.208 -2.985 -18.640 1.00 0.00 O ATOM 334 ND2 ASN A 21 -15.105 -2.403 -17.732 1.00 0.00 N ATOM 0 H ASN A 21 -13.118 -1.126 -15.919 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.232 -3.096 -15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.365 -3.366 -16.214 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.622 -4.585 -16.283 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.435 -2.020 -18.618 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.703 -2.365 -16.906 1.00 0.00 H new ATOM 341 N TRP A 22 -12.617 -2.445 -13.391 1.00 0.00 N ATOM 342 CA TRP A 22 -11.988 -2.720 -12.077 1.00 0.00 C ATOM 343 C TRP A 22 -12.928 -2.286 -10.963 1.00 0.00 C ATOM 344 O TRP A 22 -13.158 -3.002 -10.008 1.00 0.00 O ATOM 345 CB TRP A 22 -10.743 -1.853 -12.060 1.00 0.00 C ATOM 346 CG TRP A 22 -9.683 -2.486 -12.887 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.796 -3.657 -13.552 1.00 0.00 C ATOM 348 CD2 TRP A 22 -8.349 -1.997 -13.139 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.599 -3.919 -14.194 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.675 -2.919 -13.968 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.671 -0.849 -12.725 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -6.361 -2.703 -14.375 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -6.354 -0.622 -13.129 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.695 -1.549 -13.953 1.00 0.00 C ATOM 0 H TRP A 22 -12.231 -1.646 -13.895 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.763 -3.777 -11.932 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.974 -0.860 -12.445 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.391 -1.724 -11.036 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.675 -4.284 -13.578 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.422 -4.747 -14.763 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.168 -0.132 -12.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.862 -3.420 -15.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.839 0.271 -12.806 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.675 -1.370 -14.260 1.00 0.00 H new ATOM 365 N GLN A 23 -13.476 -1.110 -11.081 1.00 0.00 N ATOM 366 CA GLN A 23 -14.402 -0.621 -10.036 1.00 0.00 C ATOM 367 C GLN A 23 -15.466 -1.683 -9.772 1.00 0.00 C ATOM 368 O GLN A 23 -16.024 -1.765 -8.695 1.00 0.00 O ATOM 369 CB GLN A 23 -15.036 0.644 -10.615 1.00 0.00 C ATOM 370 CG GLN A 23 -15.460 0.388 -12.060 1.00 0.00 C ATOM 371 CD GLN A 23 -16.763 1.133 -12.346 1.00 0.00 C ATOM 372 OE1 GLN A 23 -17.093 2.087 -11.668 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.524 0.737 -13.328 1.00 0.00 N ATOM 0 H GLN A 23 -13.319 -0.469 -11.859 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.899 -0.415 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.900 0.936 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.326 1.470 -10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.680 0.722 -12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.595 -0.681 -12.227 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.247 -0.063 -13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.396 1.227 -13.527 1.00 0.00 H new ATOM 382 N GLU A 24 -15.752 -2.501 -10.751 1.00 0.00 N ATOM 383 CA GLU A 24 -16.784 -3.558 -10.547 1.00 0.00 C ATOM 384 C GLU A 24 -16.125 -4.922 -10.317 1.00 0.00 C ATOM 385 O GLU A 24 -16.789 -5.904 -10.054 1.00 0.00 O ATOM 386 CB GLU A 24 -17.606 -3.567 -11.837 1.00 0.00 C ATOM 387 CG GLU A 24 -18.244 -2.193 -12.048 1.00 0.00 C ATOM 388 CD GLU A 24 -19.144 -1.856 -10.857 1.00 0.00 C ATOM 389 OE1 GLU A 24 -18.610 -1.533 -9.810 1.00 0.00 O ATOM 390 OE2 GLU A 24 -20.352 -1.923 -11.016 1.00 0.00 O ATOM 0 H GLU A 24 -15.320 -2.483 -11.675 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.401 -3.360 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.968 -3.817 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.379 -4.334 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.469 -1.434 -12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.826 -2.189 -12.969 1.00 0.00 H new ATOM 397 N GLN A 25 -14.826 -4.990 -10.406 1.00 0.00 N ATOM 398 CA GLN A 25 -14.137 -6.293 -10.184 1.00 0.00 C ATOM 399 C GLN A 25 -13.791 -6.453 -8.703 1.00 0.00 C ATOM 400 O GLN A 25 -13.409 -7.514 -8.253 1.00 0.00 O ATOM 401 CB GLN A 25 -12.867 -6.223 -11.028 1.00 0.00 C ATOM 402 CG GLN A 25 -13.182 -6.680 -12.451 1.00 0.00 C ATOM 403 CD GLN A 25 -13.077 -8.204 -12.530 1.00 0.00 C ATOM 404 OE1 GLN A 25 -14.074 -8.889 -12.639 1.00 0.00 O ATOM 405 NE2 GLN A 25 -11.902 -8.767 -12.476 1.00 0.00 N ATOM 0 H GLN A 25 -14.213 -4.204 -10.622 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.759 -7.144 -10.462 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.479 -5.205 -11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.092 -6.855 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.184 -6.358 -12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.488 -6.220 -13.155 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.065 -8.192 -12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.820 -9.783 -12.525 1.00 0.00 H new ATOM 414 N GLY A 26 -13.924 -5.402 -7.945 1.00 0.00 N ATOM 415 CA GLY A 26 -13.607 -5.484 -6.494 1.00 0.00 C ATOM 416 C GLY A 26 -12.343 -4.676 -6.207 1.00 0.00 C ATOM 417 O GLY A 26 -11.587 -4.985 -5.307 1.00 0.00 O ATOM 0 H GLY A 26 -14.239 -4.488 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.440 -5.099 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.463 -6.524 -6.200 1.00 0.00 H new ATOM 421 N MET A 27 -12.106 -3.642 -6.965 1.00 0.00 N ATOM 422 CA MET A 27 -10.885 -2.820 -6.728 1.00 0.00 C ATOM 423 C MET A 27 -11.121 -1.829 -5.591 1.00 0.00 C ATOM 424 O MET A 27 -12.198 -1.285 -5.450 1.00 0.00 O ATOM 425 CB MET A 27 -10.624 -2.079 -8.035 1.00 0.00 C ATOM 426 CG MET A 27 -9.240 -1.435 -7.967 1.00 0.00 C ATOM 427 SD MET A 27 -8.962 -0.442 -9.450 1.00 0.00 S ATOM 428 CE MET A 27 -10.184 0.833 -9.074 1.00 0.00 C ATOM 0 H MET A 27 -12.700 -3.331 -7.734 1.00 0.00 H new ATOM 0 HA MET A 27 -10.035 -3.439 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 27 -10.679 -2.769 -8.877 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.387 -1.318 -8.196 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.162 -0.809 -7.078 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.473 -2.205 -7.883 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.003 1.706 -9.701 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.184 0.447 -9.269 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.103 1.117 -8.025 1.00 0.00 H new ATOM 438 N PRO A 28 -10.094 -1.634 -4.813 1.00 0.00 N ATOM 439 CA PRO A 28 -10.175 -0.707 -3.665 1.00 0.00 C ATOM 440 C PRO A 28 -10.161 0.750 -4.131 1.00 0.00 C ATOM 441 O PRO A 28 -9.204 1.473 -3.914 1.00 0.00 O ATOM 442 CB PRO A 28 -8.925 -1.023 -2.854 1.00 0.00 C ATOM 443 CG PRO A 28 -7.960 -1.607 -3.836 1.00 0.00 C ATOM 444 CD PRO A 28 -8.770 -2.257 -4.930 1.00 0.00 C ATOM 0 HA PRO A 28 -11.095 -0.829 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.519 -0.124 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.144 -1.726 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.313 -0.832 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.313 -2.338 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.331 -2.078 -5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.825 -3.338 -4.797 1.00 0.00 H new ATOM 452 N VAL A 29 -11.220 1.207 -4.737 1.00 0.00 N ATOM 453 CA VAL A 29 -11.250 2.629 -5.156 1.00 0.00 C ATOM 454 C VAL A 29 -11.319 3.473 -3.884 1.00 0.00 C ATOM 455 O VAL A 29 -11.698 2.985 -2.838 1.00 0.00 O ATOM 456 CB VAL A 29 -12.497 2.795 -6.018 1.00 0.00 C ATOM 457 CG1 VAL A 29 -12.626 1.652 -7.014 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.703 2.776 -5.139 1.00 0.00 C ATOM 0 H VAL A 29 -12.055 0.663 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.375 2.938 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.416 3.738 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.523 1.794 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.751 1.635 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.696 0.707 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.599 2.894 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.750 1.827 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.642 3.593 -4.420 1.00 0.00 H new ATOM 468 N LEU A 30 -10.934 4.708 -3.933 1.00 0.00 N ATOM 469 CA LEU A 30 -10.964 5.516 -2.686 1.00 0.00 C ATOM 470 C LEU A 30 -12.390 5.847 -2.254 1.00 0.00 C ATOM 471 O LEU A 30 -12.854 5.413 -1.218 1.00 0.00 O ATOM 472 CB LEU A 30 -10.199 6.782 -3.010 1.00 0.00 C ATOM 473 CG LEU A 30 -9.025 6.860 -2.051 1.00 0.00 C ATOM 474 CD1 LEU A 30 -7.787 6.305 -2.739 1.00 0.00 C ATOM 475 CD2 LEU A 30 -8.814 8.310 -1.629 1.00 0.00 C ATOM 0 H LEU A 30 -10.603 5.192 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.523 4.966 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.851 6.766 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.841 7.656 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.223 6.268 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.938 6.357 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.962 5.267 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.572 6.893 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.971 8.370 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.607 8.919 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.713 8.680 -1.136 1.00 0.00 H new ATOM 606 N LEU A 40 -12.796 7.744 -6.621 1.00 0.00 N ATOM 607 CA LEU A 40 -11.330 7.950 -6.738 1.00 0.00 C ATOM 608 C LEU A 40 -10.671 6.597 -6.553 1.00 0.00 C ATOM 609 O LEU A 40 -11.335 5.614 -6.286 1.00 0.00 O ATOM 610 CB LEU A 40 -10.943 8.906 -5.605 1.00 0.00 C ATOM 611 CG LEU A 40 -10.504 10.246 -6.197 1.00 0.00 C ATOM 612 CD1 LEU A 40 -9.222 10.049 -7.005 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.605 10.787 -7.112 1.00 0.00 C ATOM 0 HA LEU A 40 -11.024 8.366 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.789 9.053 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.136 8.476 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.321 10.956 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.908 11.003 -7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.437 9.665 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.405 9.338 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.291 11.742 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.789 10.077 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.520 10.927 -6.537 1.00 0.00 H new ATOM 625 N TYR A 41 -9.394 6.508 -6.704 1.00 0.00 N ATOM 626 CA TYR A 41 -8.761 5.181 -6.543 1.00 0.00 C ATOM 627 C TYR A 41 -7.475 5.278 -5.745 1.00 0.00 C ATOM 628 O TYR A 41 -6.684 6.185 -5.916 1.00 0.00 O ATOM 629 CB TYR A 41 -8.465 4.720 -7.966 1.00 0.00 C ATOM 630 CG TYR A 41 -9.745 4.621 -8.766 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.701 3.646 -8.447 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.965 5.483 -9.855 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.862 3.530 -9.217 1.00 0.00 C ATOM 634 CE2 TYR A 41 -11.135 5.364 -10.613 1.00 0.00 C ATOM 635 CZ TYR A 41 -12.078 4.385 -10.294 1.00 0.00 C ATOM 636 OH TYR A 41 -13.223 4.254 -11.047 1.00 0.00 O ATOM 0 H TYR A 41 -8.766 7.280 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.406 4.489 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.782 5.420 -8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.966 3.751 -7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.541 2.986 -7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.232 6.236 -10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.594 2.774 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.309 6.030 -11.445 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.947 3.910 -10.484 1.00 0.00 H new ATOM 646 N ASP A 42 -7.254 4.335 -4.883 1.00 0.00 N ATOM 647 CA ASP A 42 -6.012 4.351 -4.084 1.00 0.00 C ATOM 648 C ASP A 42 -4.874 3.897 -4.982 1.00 0.00 C ATOM 649 O ASP A 42 -4.545 2.730 -5.034 1.00 0.00 O ATOM 650 CB ASP A 42 -6.252 3.352 -2.958 1.00 0.00 C ATOM 651 CG ASP A 42 -7.641 3.551 -2.340 1.00 0.00 C ATOM 652 OD1 ASP A 42 -8.610 3.552 -3.080 1.00 0.00 O ATOM 653 OD2 ASP A 42 -7.710 3.699 -1.131 1.00 0.00 O ATOM 0 H ASP A 42 -7.882 3.553 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.758 5.333 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.162 2.336 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.487 3.471 -2.191 1.00 0.00 H new ATOM 658 N SER A 43 -4.304 4.818 -5.714 1.00 0.00 N ATOM 659 CA SER A 43 -3.199 4.475 -6.653 1.00 0.00 C ATOM 660 C SER A 43 -2.387 3.291 -6.145 1.00 0.00 C ATOM 661 O SER A 43 -1.951 2.472 -6.914 1.00 0.00 O ATOM 662 CB SER A 43 -2.335 5.731 -6.722 1.00 0.00 C ATOM 663 OG SER A 43 -2.161 6.106 -8.081 1.00 0.00 O ATOM 0 H SER A 43 -4.561 5.805 -5.700 1.00 0.00 H new ATOM 0 HA SER A 43 -3.580 4.181 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.806 6.542 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.367 5.546 -6.257 1.00 0.00 H new ATOM 0 HG SER A 43 -2.907 5.760 -8.614 1.00 0.00 H new ATOM 669 N ALA A 44 -2.185 3.178 -4.865 1.00 0.00 N ATOM 670 CA ALA A 44 -1.396 2.013 -4.357 1.00 0.00 C ATOM 671 C ALA A 44 -2.319 0.859 -4.001 1.00 0.00 C ATOM 672 O ALA A 44 -2.110 -0.264 -4.413 1.00 0.00 O ATOM 673 CB ALA A 44 -0.648 2.511 -3.129 1.00 0.00 C ATOM 0 H ALA A 44 -2.523 3.827 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.704 1.640 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.051 1.699 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.007 3.335 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.363 2.856 -2.382 1.00 0.00 H new ATOM 679 N ALA A 45 -3.351 1.123 -3.259 1.00 0.00 N ATOM 680 CA ALA A 45 -4.287 0.031 -2.915 1.00 0.00 C ATOM 681 C ALA A 45 -4.856 -0.502 -4.223 1.00 0.00 C ATOM 682 O ALA A 45 -5.295 -1.630 -4.324 1.00 0.00 O ATOM 683 CB ALA A 45 -5.373 0.683 -2.061 1.00 0.00 C ATOM 0 H ALA A 45 -3.584 2.040 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.828 -0.797 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.105 -0.069 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.922 1.118 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.867 1.466 -2.636 1.00 0.00 H new ATOM 689 N VAL A 46 -4.832 0.328 -5.229 1.00 0.00 N ATOM 690 CA VAL A 46 -5.347 -0.079 -6.560 1.00 0.00 C ATOM 691 C VAL A 46 -4.374 -1.039 -7.241 1.00 0.00 C ATOM 692 O VAL A 46 -4.766 -1.864 -8.038 1.00 0.00 O ATOM 693 CB VAL A 46 -5.437 1.209 -7.375 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.805 0.874 -8.823 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.505 2.119 -6.786 1.00 0.00 C ATOM 0 H VAL A 46 -4.473 1.281 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.308 -0.587 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.473 1.716 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.869 1.794 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.041 0.226 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.768 0.363 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.565 3.036 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.469 1.611 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.247 2.363 -5.755 1.00 0.00 H new ATOM 705 N ILE A 47 -3.104 -0.934 -6.953 1.00 0.00 N ATOM 706 CA ILE A 47 -2.136 -1.858 -7.630 1.00 0.00 C ATOM 707 C ILE A 47 -1.976 -3.153 -6.848 1.00 0.00 C ATOM 708 O ILE A 47 -2.121 -4.224 -7.397 1.00 0.00 O ATOM 709 CB ILE A 47 -0.789 -1.142 -7.786 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.780 0.201 -7.074 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.580 -0.904 -9.273 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.429 1.021 -7.525 1.00 0.00 C ATOM 0 H ILE A 47 -2.698 -0.268 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.522 -2.122 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.002 -1.756 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.700 0.744 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.746 0.050 -5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.371 -0.395 -9.430 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.570 -1.860 -9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.391 -0.287 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.429 1.982 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.345 0.481 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.376 1.185 -8.601 1.00 0.00 H new ATOM 724 N LYS A 48 -1.695 -3.087 -5.577 1.00 0.00 N ATOM 725 CA LYS A 48 -1.560 -4.348 -4.809 1.00 0.00 C ATOM 726 C LYS A 48 -2.748 -5.247 -5.172 1.00 0.00 C ATOM 727 O LYS A 48 -2.648 -6.460 -5.231 1.00 0.00 O ATOM 728 CB LYS A 48 -1.604 -3.923 -3.338 1.00 0.00 C ATOM 729 CG LYS A 48 -2.118 -5.077 -2.474 1.00 0.00 C ATOM 730 CD LYS A 48 -1.623 -4.896 -1.040 1.00 0.00 C ATOM 731 CE LYS A 48 -2.458 -3.818 -0.345 1.00 0.00 C ATOM 732 NZ LYS A 48 -1.621 -3.366 0.802 1.00 0.00 N ATOM 0 H LYS A 48 -1.555 -2.227 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.645 -4.902 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.609 -3.626 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.252 -3.054 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.207 -5.104 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.769 -6.029 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.699 -5.837 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.571 -4.612 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.680 -2.993 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.413 -4.217 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.126 -2.625 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.431 -4.171 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.721 -2.985 0.446 1.00 0.00 H new ATOM 746 N TRP A 49 -3.864 -4.628 -5.446 1.00 0.00 N ATOM 747 CA TRP A 49 -5.089 -5.379 -5.843 1.00 0.00 C ATOM 748 C TRP A 49 -5.050 -5.662 -7.350 1.00 0.00 C ATOM 749 O TRP A 49 -5.604 -6.634 -7.822 1.00 0.00 O ATOM 750 CB TRP A 49 -6.239 -4.432 -5.488 1.00 0.00 C ATOM 751 CG TRP A 49 -7.464 -4.763 -6.282 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.551 -5.406 -5.799 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.753 -4.467 -7.678 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.494 -5.515 -6.808 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.046 -4.951 -7.986 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.026 -3.827 -8.698 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.596 -4.804 -9.259 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.576 -3.681 -9.979 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.860 -4.166 -10.258 1.00 0.00 C ATOM 0 H TRP A 49 -3.980 -3.615 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.188 -6.343 -5.345 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.460 -4.504 -4.423 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.941 -3.402 -5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.665 -5.775 -4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.406 -5.957 -6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.037 -3.445 -8.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.586 -5.182 -9.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.006 -3.192 -10.755 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.280 -4.046 -11.246 1.00 0.00 H new ATOM 770 N TYR A 50 -4.394 -4.819 -8.111 1.00 0.00 N ATOM 771 CA TYR A 50 -4.319 -5.048 -9.583 1.00 0.00 C ATOM 772 C TYR A 50 -3.109 -5.932 -9.905 1.00 0.00 C ATOM 773 O TYR A 50 -3.019 -6.520 -10.965 1.00 0.00 O ATOM 774 CB TYR A 50 -4.170 -3.645 -10.200 1.00 0.00 C ATOM 775 CG TYR A 50 -3.282 -3.697 -11.426 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.887 -3.784 -11.288 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.858 -3.676 -12.696 1.00 0.00 C ATOM 778 CE1 TYR A 50 -1.073 -3.853 -12.430 1.00 0.00 C ATOM 779 CE2 TYR A 50 -3.049 -3.747 -13.838 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.658 -3.836 -13.705 1.00 0.00 C ATOM 781 OH TYR A 50 -0.861 -3.906 -14.831 1.00 0.00 O ATOM 0 H TYR A 50 -3.910 -3.986 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.196 -5.560 -9.978 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.151 -3.254 -10.470 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.746 -2.961 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.441 -3.798 -10.305 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.931 -3.605 -12.800 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.000 -3.919 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.498 -3.733 -14.820 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.424 -3.884 -15.633 1.00 0.00 H new ATOM 791 N ALA A 51 -2.181 -6.027 -9.000 1.00 0.00 N ATOM 792 CA ALA A 51 -0.981 -6.866 -9.250 1.00 0.00 C ATOM 793 C ALA A 51 -1.301 -8.324 -8.941 1.00 0.00 C ATOM 794 O ALA A 51 -0.672 -9.232 -9.448 1.00 0.00 O ATOM 795 CB ALA A 51 0.075 -6.340 -8.280 1.00 0.00 C ATOM 0 H ALA A 51 -2.201 -5.558 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.645 -6.817 -10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.996 -6.909 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.269 -5.288 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.285 -6.447 -7.257 1.00 0.00 H new ATOM 1092 N MET B 1 1.877 6.744 -17.740 1.00 0.00 N ATOM 1093 CA MET B 1 2.261 7.846 -16.812 1.00 0.00 C ATOM 1094 C MET B 1 3.745 7.755 -16.472 1.00 0.00 C ATOM 1095 O MET B 1 4.312 6.685 -16.380 1.00 0.00 O ATOM 1096 CB MET B 1 1.427 7.620 -15.552 1.00 0.00 C ATOM 1097 CG MET B 1 1.828 8.625 -14.470 1.00 0.00 C ATOM 1098 SD MET B 1 0.547 9.892 -14.317 1.00 0.00 S ATOM 1099 CE MET B 1 -0.298 9.168 -12.893 1.00 0.00 C ATOM 0 H1 MET B 1 1.654 7.140 -18.675 1.00 0.00 H new ATOM 0 H2 MET B 1 2.667 6.073 -17.828 1.00 0.00 H new ATOM 0 H3 MET B 1 1.042 6.249 -17.365 1.00 0.00 H new ATOM 0 HA MET B 1 2.085 8.827 -17.253 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.367 7.727 -15.784 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.573 6.603 -15.187 1.00 0.00 H new ATOM 0 HG2 MET B 1 1.964 8.114 -13.517 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.782 9.087 -14.724 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.053 9.863 -12.526 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.777 8.235 -13.190 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.426 8.969 -12.103 1.00 0.00 H new ATOM 1111 N GLU B 2 4.369 8.874 -16.267 1.00 0.00 N ATOM 1112 CA GLU B 2 5.804 8.877 -15.908 1.00 0.00 C ATOM 1113 C GLU B 2 5.961 9.644 -14.595 1.00 0.00 C ATOM 1114 O GLU B 2 6.142 10.845 -14.575 1.00 0.00 O ATOM 1115 CB GLU B 2 6.493 9.590 -17.079 1.00 0.00 C ATOM 1116 CG GLU B 2 7.774 10.268 -16.600 1.00 0.00 C ATOM 1117 CD GLU B 2 8.651 10.619 -17.803 1.00 0.00 C ATOM 1118 OE1 GLU B 2 8.216 10.382 -18.918 1.00 0.00 O ATOM 1119 OE2 GLU B 2 9.741 11.123 -17.587 1.00 0.00 O ATOM 0 H GLU B 2 3.940 9.797 -16.334 1.00 0.00 H new ATOM 0 HA GLU B 2 6.234 7.887 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.725 8.873 -17.866 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.820 10.331 -17.511 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.532 11.170 -16.039 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.316 9.607 -15.923 1.00 0.00 H new ATOM 1126 N VAL B 3 5.852 8.958 -13.496 1.00 0.00 N ATOM 1127 CA VAL B 3 5.956 9.633 -12.176 1.00 0.00 C ATOM 1128 C VAL B 3 7.416 9.678 -11.708 1.00 0.00 C ATOM 1129 O VAL B 3 8.287 9.079 -12.307 1.00 0.00 O ATOM 1130 CB VAL B 3 5.113 8.757 -11.252 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.739 8.510 -11.886 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.819 7.415 -11.041 1.00 0.00 C ATOM 0 H VAL B 3 5.694 7.951 -13.455 1.00 0.00 H new ATOM 0 HA VAL B 3 5.614 10.668 -12.199 1.00 0.00 H new ATOM 0 HB VAL B 3 4.986 9.262 -10.294 1.00 0.00 H new ATOM 0 HG11 VAL B 3 3.140 7.885 -11.224 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.233 9.463 -12.041 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.866 8.007 -12.844 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.219 6.788 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.945 6.915 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.796 7.585 -10.590 1.00 0.00 H new ATOM 1142 N ASN B 4 7.688 10.385 -10.644 1.00 0.00 N ATOM 1143 CA ASN B 4 9.093 10.468 -10.145 1.00 0.00 C ATOM 1144 C ASN B 4 9.303 9.497 -8.980 1.00 0.00 C ATOM 1145 O ASN B 4 8.365 9.052 -8.350 1.00 0.00 O ATOM 1146 CB ASN B 4 9.284 11.909 -9.663 1.00 0.00 C ATOM 1147 CG ASN B 4 8.515 12.873 -10.568 1.00 0.00 C ATOM 1148 OD1 ASN B 4 7.290 13.189 -10.257 1.00 0.00 O flip ATOM 1149 ND2 ASN B 4 9.032 13.337 -11.566 1.00 0.00 N flip ATOM 0 H ASN B 4 7.001 10.907 -10.100 1.00 0.00 H new ATOM 0 HA ASN B 4 9.807 10.204 -10.925 1.00 0.00 H new ATOM 0 HB2 ASN B 4 8.935 12.006 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.344 12.164 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN B 4 9.991 13.087 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN B 4 8.506 13.976 -12.163 1.00 0.00 H new ATOM 1156 N LYS B 5 10.532 9.167 -8.704 1.00 0.00 N ATOM 1157 CA LYS B 5 10.846 8.227 -7.599 1.00 0.00 C ATOM 1158 C LYS B 5 9.903 8.401 -6.407 1.00 0.00 C ATOM 1159 O LYS B 5 9.626 7.462 -5.686 1.00 0.00 O ATOM 1160 CB LYS B 5 12.297 8.527 -7.188 1.00 0.00 C ATOM 1161 CG LYS B 5 12.761 9.946 -7.573 1.00 0.00 C ATOM 1162 CD LYS B 5 11.759 10.990 -7.087 1.00 0.00 C ATOM 1163 CE LYS B 5 12.470 12.333 -6.903 1.00 0.00 C ATOM 1164 NZ LYS B 5 11.958 12.863 -5.610 1.00 0.00 N ATOM 0 H LYS B 5 11.346 9.517 -9.209 1.00 0.00 H new ATOM 0 HA LYS B 5 10.719 7.196 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS B 5 12.395 8.401 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.958 7.797 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.741 10.144 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.872 10.017 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS B 5 10.946 11.092 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS B 5 11.313 10.671 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS B 5 13.552 12.207 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.248 13.014 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 12.399 13.784 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.926 12.979 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.190 12.197 -4.846 1.00 0.00 H new ATOM 1178 N LYS B 6 9.405 9.579 -6.186 1.00 0.00 N ATOM 1179 CA LYS B 6 8.488 9.783 -5.037 1.00 0.00 C ATOM 1180 C LYS B 6 7.077 9.365 -5.437 1.00 0.00 C ATOM 1181 O LYS B 6 6.466 8.520 -4.812 1.00 0.00 O ATOM 1182 CB LYS B 6 8.573 11.287 -4.732 1.00 0.00 C ATOM 1183 CG LYS B 6 7.215 11.816 -4.265 1.00 0.00 C ATOM 1184 CD LYS B 6 7.416 13.041 -3.373 1.00 0.00 C ATOM 1185 CE LYS B 6 8.244 14.086 -4.121 1.00 0.00 C ATOM 1186 NZ LYS B 6 8.142 15.320 -3.293 1.00 0.00 N ATOM 0 H LYS B 6 9.592 10.409 -6.749 1.00 0.00 H new ATOM 0 HA LYS B 6 8.751 9.190 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS B 6 9.324 11.466 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS B 6 8.894 11.827 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS B 6 6.601 12.079 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS B 6 6.681 11.040 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS B 6 6.451 13.461 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS B 6 7.921 12.754 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS B 6 9.281 13.766 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS B 6 7.856 14.252 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 8.686 16.085 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 7.145 15.604 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 8.525 15.134 -2.344 1.00 0.00 H new ATOM 1200 N GLN B 7 6.558 9.944 -6.477 1.00 0.00 N ATOM 1201 CA GLN B 7 5.194 9.569 -6.914 1.00 0.00 C ATOM 1202 C GLN B 7 5.121 8.053 -7.099 1.00 0.00 C ATOM 1203 O GLN B 7 4.243 7.405 -6.575 1.00 0.00 O ATOM 1204 CB GLN B 7 4.988 10.292 -8.245 1.00 0.00 C ATOM 1205 CG GLN B 7 4.769 11.783 -7.986 1.00 0.00 C ATOM 1206 CD GLN B 7 3.269 12.068 -7.882 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.644 12.452 -8.850 1.00 0.00 O ATOM 1208 NE2 GLN B 7 2.664 11.896 -6.740 1.00 0.00 N ATOM 0 H GLN B 7 7.018 10.658 -7.041 1.00 0.00 H new ATOM 0 HA GLN B 7 4.427 9.845 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.856 10.147 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN B 7 4.129 9.873 -8.770 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.271 12.081 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN B 7 5.207 12.371 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.190 11.573 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN B 7 1.665 12.084 -6.659 1.00 0.00 H new ATOM 1217 N LEU B 8 6.054 7.483 -7.821 1.00 0.00 N ATOM 1218 CA LEU B 8 6.045 6.006 -8.028 1.00 0.00 C ATOM 1219 C LEU B 8 5.828 5.320 -6.695 1.00 0.00 C ATOM 1220 O LEU B 8 4.988 4.452 -6.557 1.00 0.00 O ATOM 1221 CB LEU B 8 7.427 5.659 -8.590 1.00 0.00 C ATOM 1222 CG LEU B 8 7.396 4.268 -9.237 1.00 0.00 C ATOM 1223 CD1 LEU B 8 8.820 3.852 -9.611 1.00 0.00 C ATOM 1224 CD2 LEU B 8 6.816 3.246 -8.253 1.00 0.00 C ATOM 0 H LEU B 8 6.821 7.979 -8.275 1.00 0.00 H new ATOM 0 HA LEU B 8 5.252 5.684 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.727 6.405 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.169 5.682 -7.792 1.00 0.00 H new ATOM 0 HG LEU B 8 6.772 4.303 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU B 8 8.801 2.864 -10.071 1.00 0.00 H new ATOM 0 HD12 LEU B 8 9.236 4.572 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.438 3.823 -8.714 1.00 0.00 H new ATOM 0 HD21 LEU B 8 6.797 2.261 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.436 3.211 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU B 8 5.802 3.538 -7.981 1.00 0.00 H new ATOM 1236 N ALA B 9 6.564 5.713 -5.699 1.00 0.00 N ATOM 1237 CA ALA B 9 6.362 5.079 -4.371 1.00 0.00 C ATOM 1238 C ALA B 9 4.972 5.467 -3.878 1.00 0.00 C ATOM 1239 O ALA B 9 4.316 4.731 -3.167 1.00 0.00 O ATOM 1240 CB ALA B 9 7.450 5.648 -3.468 1.00 0.00 C ATOM 0 H ALA B 9 7.285 6.433 -5.743 1.00 0.00 H new ATOM 0 HA ALA B 9 6.426 3.991 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.356 5.219 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.429 5.401 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.344 6.731 -3.409 1.00 0.00 H new ATOM 1246 N ASP B 10 4.510 6.617 -4.290 1.00 0.00 N ATOM 1247 CA ASP B 10 3.148 7.065 -3.897 1.00 0.00 C ATOM 1248 C ASP B 10 2.124 6.239 -4.673 1.00 0.00 C ATOM 1249 O ASP B 10 1.172 5.727 -4.116 1.00 0.00 O ATOM 1250 CB ASP B 10 3.079 8.538 -4.297 1.00 0.00 C ATOM 1251 CG ASP B 10 2.137 9.281 -3.347 1.00 0.00 C ATOM 1252 OD1 ASP B 10 1.247 8.643 -2.810 1.00 0.00 O ATOM 1253 OD2 ASP B 10 2.324 10.473 -3.172 1.00 0.00 O ATOM 0 H ASP B 10 5.023 7.267 -4.885 1.00 0.00 H new ATOM 0 HA ASP B 10 2.942 6.940 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP B 10 4.074 8.983 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.725 8.631 -5.324 1.00 0.00 H new ATOM 1258 N ILE B 11 2.333 6.078 -5.954 1.00 0.00 N ATOM 1259 CA ILE B 11 1.391 5.253 -6.754 1.00 0.00 C ATOM 1260 C ILE B 11 1.204 3.935 -6.046 1.00 0.00 C ATOM 1261 O ILE B 11 0.113 3.522 -5.734 1.00 0.00 O ATOM 1262 CB ILE B 11 2.086 4.975 -8.089 1.00 0.00 C ATOM 1263 CG1 ILE B 11 2.650 6.275 -8.650 1.00 0.00 C ATOM 1264 CG2 ILE B 11 1.087 4.342 -9.063 1.00 0.00 C ATOM 1265 CD1 ILE B 11 2.791 6.214 -10.175 1.00 0.00 C ATOM 0 H ILE B 11 3.112 6.481 -6.475 1.00 0.00 H new ATOM 0 HA ILE B 11 0.431 5.751 -6.889 1.00 0.00 H new ATOM 0 HB ILE B 11 2.911 4.278 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.997 7.104 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.623 6.474 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.582 4.144 -10.014 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.715 3.406 -8.646 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.253 5.025 -9.223 1.00 0.00 H new ATOM 0 HD11 ILE B 11 3.196 7.158 -10.541 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.464 5.401 -10.446 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.813 6.040 -10.624 1.00 0.00 H new ATOM 1277 N PHE B 12 2.293 3.263 -5.825 1.00 0.00 N ATOM 1278 CA PHE B 12 2.234 1.941 -5.178 1.00 0.00 C ATOM 1279 C PHE B 12 2.175 2.099 -3.659 1.00 0.00 C ATOM 1280 O PHE B 12 2.260 1.136 -2.922 1.00 0.00 O ATOM 1281 CB PHE B 12 3.534 1.238 -5.586 1.00 0.00 C ATOM 1282 CG PHE B 12 3.788 1.250 -7.100 1.00 0.00 C ATOM 1283 CD1 PHE B 12 3.001 1.982 -8.017 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.859 0.496 -7.580 1.00 0.00 C ATOM 1285 CE1 PHE B 12 3.303 1.940 -9.387 1.00 0.00 C ATOM 1286 CE2 PHE B 12 5.158 0.457 -8.942 1.00 0.00 C ATOM 1287 CZ PHE B 12 4.384 1.178 -9.848 1.00 0.00 C ATOM 0 H PHE B 12 3.230 3.582 -6.070 1.00 0.00 H new ATOM 0 HA PHE B 12 1.351 1.377 -5.478 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.372 1.719 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.504 0.205 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE B 12 2.169 2.573 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.466 -0.066 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE B 12 2.700 2.497 -10.088 1.00 0.00 H new ATOM 0 HE2 PHE B 12 5.991 -0.133 -9.294 1.00 0.00 H new ATOM 0 HZ PHE B 12 4.617 1.150 -10.902 1.00 0.00 H new ATOM 1297 N GLY B 13 2.036 3.303 -3.181 1.00 0.00 N ATOM 1298 CA GLY B 13 1.976 3.510 -1.709 1.00 0.00 C ATOM 1299 C GLY B 13 3.180 2.830 -1.065 1.00 0.00 C ATOM 1300 O GLY B 13 3.181 2.523 0.110 1.00 0.00 O ATOM 0 H GLY B 13 1.962 4.150 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.976 4.575 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.051 3.097 -1.308 1.00 0.00 H new ATOM 1304 N ALA B 14 4.210 2.592 -1.831 1.00 0.00 N ATOM 1305 CA ALA B 14 5.417 1.932 -1.264 1.00 0.00 C ATOM 1306 C ALA B 14 6.297 2.970 -0.575 1.00 0.00 C ATOM 1307 O ALA B 14 5.846 4.027 -0.178 1.00 0.00 O ATOM 1308 CB ALA B 14 6.166 1.344 -2.464 1.00 0.00 C ATOM 0 H ALA B 14 4.266 2.826 -2.822 1.00 0.00 H new ATOM 0 HA ALA B 14 5.155 1.170 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.069 0.841 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.525 0.627 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.437 2.145 -3.152 1.00 0.00 H new ATOM 1314 N SER B 15 7.559 2.687 -0.469 1.00 0.00 N ATOM 1315 CA SER B 15 8.494 3.658 0.148 1.00 0.00 C ATOM 1316 C SER B 15 9.457 4.119 -0.925 1.00 0.00 C ATOM 1317 O SER B 15 10.009 3.320 -1.650 1.00 0.00 O ATOM 1318 CB SER B 15 9.232 2.893 1.237 1.00 0.00 C ATOM 1319 OG SER B 15 8.539 1.684 1.518 1.00 0.00 O ATOM 0 H SER B 15 7.987 1.817 -0.786 1.00 0.00 H new ATOM 0 HA SER B 15 7.992 4.530 0.567 1.00 0.00 H new ATOM 0 HB2 SER B 15 10.251 2.675 0.917 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.305 3.501 2.139 1.00 0.00 H new ATOM 0 HG SER B 15 9.014 1.190 2.218 1.00 0.00 H new ATOM 1325 N ILE B 16 9.666 5.391 -1.048 1.00 0.00 N ATOM 1326 CA ILE B 16 10.610 5.857 -2.103 1.00 0.00 C ATOM 1327 C ILE B 16 11.861 5.000 -2.006 1.00 0.00 C ATOM 1328 O ILE B 16 12.439 4.577 -2.986 1.00 0.00 O ATOM 1329 CB ILE B 16 10.986 7.304 -1.784 1.00 0.00 C ATOM 1330 CG1 ILE B 16 9.795 8.107 -1.244 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.497 7.945 -3.060 1.00 0.00 C ATOM 1332 CD1 ILE B 16 8.608 8.008 -2.189 1.00 0.00 C ATOM 0 H ILE B 16 9.237 6.121 -0.479 1.00 0.00 H new ATOM 0 HA ILE B 16 10.168 5.786 -3.097 1.00 0.00 H new ATOM 0 HB ILE B 16 11.749 7.305 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.514 7.733 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE B 16 10.081 9.151 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE B 16 11.773 8.981 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.370 7.399 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE B 16 10.716 7.917 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.774 8.584 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE B 16 8.886 8.404 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE B 16 8.311 6.964 -2.292 1.00 0.00 H new ATOM 1344 N ARG B 17 12.253 4.729 -0.800 1.00 0.00 N ATOM 1345 CA ARG B 17 13.449 3.871 -0.570 1.00 0.00 C ATOM 1346 C ARG B 17 13.267 2.595 -1.369 1.00 0.00 C ATOM 1347 O ARG B 17 14.178 2.090 -1.992 1.00 0.00 O ATOM 1348 CB ARG B 17 13.477 3.505 0.919 1.00 0.00 C ATOM 1349 CG ARG B 17 12.764 4.538 1.785 1.00 0.00 C ATOM 1350 CD ARG B 17 13.267 5.946 1.444 1.00 0.00 C ATOM 1351 NE ARG B 17 14.273 6.261 2.496 1.00 0.00 N ATOM 1352 CZ ARG B 17 14.144 7.336 3.224 1.00 0.00 C ATOM 1353 NH1 ARG B 17 13.091 7.491 3.979 1.00 0.00 N ATOM 1354 NH2 ARG B 17 15.067 8.258 3.198 1.00 0.00 N ATOM 0 H ARG B 17 11.795 5.066 0.047 1.00 0.00 H new ATOM 0 HA ARG B 17 14.366 4.382 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG B 17 13.008 2.531 1.060 1.00 0.00 H new ATOM 0 HB3 ARG B 17 14.512 3.411 1.248 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.688 4.479 1.624 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.941 4.325 2.839 1.00 0.00 H new ATOM 0 HD2 ARG B 17 13.713 5.976 0.450 1.00 0.00 H new ATOM 0 HD3 ARG B 17 12.451 6.669 1.449 1.00 0.00 H new ATOM 0 HE ARG B 17 15.064 5.635 2.648 1.00 0.00 H new ATOM 0 HH11 ARG B 17 12.368 6.772 4.000 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.991 8.332 4.548 1.00 0.00 H new ATOM 0 HH21 ARG B 17 15.890 8.139 2.608 1.00 0.00 H new ATOM 0 HH22 ARG B 17 14.965 9.098 3.768 1.00 0.00 H new ATOM 1368 N THR B 18 12.070 2.080 -1.356 1.00 0.00 N ATOM 1369 CA THR B 18 11.790 0.850 -2.113 1.00 0.00 C ATOM 1370 C THR B 18 11.957 1.181 -3.583 1.00 0.00 C ATOM 1371 O THR B 18 12.439 0.389 -4.368 1.00 0.00 O ATOM 1372 CB THR B 18 10.341 0.501 -1.776 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.223 0.277 -0.378 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.914 -0.753 -2.537 1.00 0.00 C ATOM 0 H THR B 18 11.275 2.467 -0.848 1.00 0.00 H new ATOM 0 HA THR B 18 12.446 0.013 -1.875 1.00 0.00 H new ATOM 0 HB THR B 18 9.695 1.329 -2.069 1.00 0.00 H new ATOM 0 HG1 THR B 18 9.276 0.197 -0.138 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.880 -0.994 -2.290 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.999 -0.575 -3.609 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.558 -1.586 -2.255 1.00 0.00 H new ATOM 1382 N ILE B 19 11.593 2.380 -3.950 1.00 0.00 N ATOM 1383 CA ILE B 19 11.766 2.798 -5.356 1.00 0.00 C ATOM 1384 C ILE B 19 13.258 2.924 -5.630 1.00 0.00 C ATOM 1385 O ILE B 19 13.734 2.654 -6.715 1.00 0.00 O ATOM 1386 CB ILE B 19 11.087 4.158 -5.467 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.652 4.056 -4.958 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.072 4.596 -6.926 1.00 0.00 C ATOM 1389 CD1 ILE B 19 8.936 2.925 -5.692 1.00 0.00 C ATOM 0 H ILE B 19 11.185 3.082 -3.333 1.00 0.00 H new ATOM 0 HA ILE B 19 11.340 2.092 -6.069 1.00 0.00 H new ATOM 0 HB ILE B 19 11.634 4.887 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.647 3.869 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.129 4.998 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.587 5.569 -7.009 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.095 4.668 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.523 3.865 -7.520 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.910 2.849 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE B 19 8.930 3.132 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.456 1.985 -5.508 1.00 0.00 H new ATOM 1401 N GLN B 20 14.005 3.304 -4.628 1.00 0.00 N ATOM 1402 CA GLN B 20 15.471 3.416 -4.796 1.00 0.00 C ATOM 1403 C GLN B 20 16.025 2.004 -4.906 1.00 0.00 C ATOM 1404 O GLN B 20 17.043 1.763 -5.522 1.00 0.00 O ATOM 1405 CB GLN B 20 15.976 4.106 -3.528 1.00 0.00 C ATOM 1406 CG GLN B 20 15.485 5.554 -3.505 1.00 0.00 C ATOM 1407 CD GLN B 20 16.676 6.494 -3.301 1.00 0.00 C ATOM 1408 OE1 GLN B 20 17.600 6.175 -2.580 1.00 0.00 O ATOM 1409 NE2 GLN B 20 16.692 7.649 -3.909 1.00 0.00 N ATOM 0 H GLN B 20 13.656 3.541 -3.699 1.00 0.00 H new ATOM 0 HA GLN B 20 15.772 3.978 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.618 3.576 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.065 4.080 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.977 5.792 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.759 5.690 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.916 7.917 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.480 8.283 -3.779 1.00 0.00 H new ATOM 1418 N ASN B 21 15.326 1.062 -4.333 1.00 0.00 N ATOM 1419 CA ASN B 21 15.774 -0.349 -4.425 1.00 0.00 C ATOM 1420 C ASN B 21 15.245 -0.933 -5.725 1.00 0.00 C ATOM 1421 O ASN B 21 15.776 -1.883 -6.267 1.00 0.00 O ATOM 1422 CB ASN B 21 15.158 -1.059 -3.219 1.00 0.00 C ATOM 1423 CG ASN B 21 15.651 -0.404 -1.929 1.00 0.00 C ATOM 1424 OD1 ASN B 21 16.628 0.317 -1.934 1.00 0.00 O ATOM 1425 ND2 ASN B 21 15.009 -0.626 -0.814 1.00 0.00 N ATOM 0 H ASN B 21 14.465 1.212 -3.807 1.00 0.00 H new ATOM 0 HA ASN B 21 16.859 -0.455 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN B 21 14.070 -1.008 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN B 21 15.429 -2.115 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN B 21 15.328 -0.194 0.053 1.00 0.00 H new ATOM 0 HD22 ASN B 21 14.188 -1.232 -0.810 1.00 0.00 H new ATOM 1432 N TRP B 22 14.202 -0.347 -6.233 1.00 0.00 N ATOM 1433 CA TRP B 22 13.614 -0.819 -7.507 1.00 0.00 C ATOM 1434 C TRP B 22 14.475 -0.343 -8.669 1.00 0.00 C ATOM 1435 O TRP B 22 14.839 -1.100 -9.545 1.00 0.00 O ATOM 1436 CB TRP B 22 12.251 -0.149 -7.558 1.00 0.00 C ATOM 1437 CG TRP B 22 11.326 -0.830 -6.610 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.658 -1.841 -5.777 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.920 -0.568 -6.394 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.533 -2.223 -5.071 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.435 -1.464 -5.416 1.00 0.00 C ATOM 1442 CE3 TRP B 22 9.030 0.352 -6.954 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 8.104 -1.446 -5.009 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.692 0.379 -6.549 1.00 0.00 C ATOM 1445 CH2 TRP B 22 7.227 -0.521 -5.577 1.00 0.00 C ATOM 0 H TRP B 22 13.727 0.451 -5.811 1.00 0.00 H new ATOM 0 HA TRP B 22 13.547 -1.905 -7.572 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.343 0.906 -7.299 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.849 -0.195 -8.570 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.641 -2.278 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.517 -2.973 -4.380 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.378 1.047 -7.704 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.753 -2.141 -4.261 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.013 1.096 -6.986 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.192 -0.497 -5.269 1.00 0.00 H new ATOM 1456 N GLN B 23 14.804 0.918 -8.673 1.00 0.00 N ATOM 1457 CA GLN B 23 15.644 1.464 -9.765 1.00 0.00 C ATOM 1458 C GLN B 23 16.944 0.658 -9.860 1.00 0.00 C ATOM 1459 O GLN B 23 17.620 0.669 -10.872 1.00 0.00 O ATOM 1460 CB GLN B 23 15.885 2.934 -9.365 1.00 0.00 C ATOM 1461 CG GLN B 23 17.381 3.268 -9.322 1.00 0.00 C ATOM 1462 CD GLN B 23 17.581 4.619 -8.634 1.00 0.00 C ATOM 1463 OE1 GLN B 23 16.983 4.888 -7.609 1.00 0.00 O ATOM 1464 NE2 GLN B 23 18.403 5.488 -9.156 1.00 0.00 N ATOM 0 H GLN B 23 14.524 1.594 -7.962 1.00 0.00 H new ATOM 0 HA GLN B 23 15.182 1.402 -10.750 1.00 0.00 H new ATOM 0 HB2 GLN B 23 15.385 3.592 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN B 23 15.441 3.124 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN B 23 17.923 2.490 -8.784 1.00 0.00 H new ATOM 0 HG3 GLN B 23 17.787 3.299 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN B 23 18.905 5.263 -10.015 1.00 0.00 H new ATOM 0 HE22 GLN B 23 18.544 6.392 -8.705 1.00 0.00 H new ATOM 1473 N GLU B 24 17.300 -0.046 -8.815 1.00 0.00 N ATOM 1474 CA GLU B 24 18.556 -0.847 -8.865 1.00 0.00 C ATOM 1475 C GLU B 24 18.238 -2.343 -8.852 1.00 0.00 C ATOM 1476 O GLU B 24 19.103 -3.167 -8.624 1.00 0.00 O ATOM 1477 CB GLU B 24 19.331 -0.451 -7.609 1.00 0.00 C ATOM 1478 CG GLU B 24 19.834 0.987 -7.754 1.00 0.00 C ATOM 1479 CD GLU B 24 21.361 0.990 -7.838 1.00 0.00 C ATOM 1480 OE1 GLU B 24 21.983 0.360 -6.999 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.882 1.624 -8.741 1.00 0.00 O ATOM 0 H GLU B 24 16.780 -0.100 -7.939 1.00 0.00 H new ATOM 0 HA GLU B 24 19.127 -0.656 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.691 -0.537 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU B 24 20.172 -1.128 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.410 1.443 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.505 1.585 -6.904 1.00 0.00 H new ATOM 1488 N GLN B 25 17.011 -2.706 -9.101 1.00 0.00 N ATOM 1489 CA GLN B 25 16.652 -4.143 -9.108 1.00 0.00 C ATOM 1490 C GLN B 25 16.214 -4.555 -10.523 1.00 0.00 C ATOM 1491 O GLN B 25 15.955 -5.711 -10.790 1.00 0.00 O ATOM 1492 CB GLN B 25 15.525 -4.251 -8.066 1.00 0.00 C ATOM 1493 CG GLN B 25 14.324 -4.996 -8.637 1.00 0.00 C ATOM 1494 CD GLN B 25 14.602 -6.501 -8.635 1.00 0.00 C ATOM 1495 OE1 GLN B 25 15.737 -6.922 -8.743 1.00 0.00 O ATOM 1496 NE2 GLN B 25 13.606 -7.337 -8.516 1.00 0.00 N ATOM 0 H GLN B 25 16.243 -2.065 -9.300 1.00 0.00 H new ATOM 0 HA GLN B 25 17.474 -4.813 -8.855 1.00 0.00 H new ATOM 0 HB2 GLN B 25 15.892 -4.770 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN B 25 15.221 -3.253 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN B 25 13.435 -4.780 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN B 25 14.122 -4.655 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN B 25 12.653 -6.985 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN B 25 13.781 -8.342 -8.514 1.00 0.00 H new ATOM 1505 N GLY B 26 16.129 -3.614 -11.426 1.00 0.00 N ATOM 1506 CA GLY B 26 15.707 -3.947 -12.818 1.00 0.00 C ATOM 1507 C GLY B 26 14.386 -3.243 -13.133 1.00 0.00 C ATOM 1508 O GLY B 26 13.669 -3.623 -14.038 1.00 0.00 O ATOM 0 H GLY B 26 16.334 -2.629 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.475 -3.636 -13.526 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.591 -5.025 -12.926 1.00 0.00 H new ATOM 1512 N MET B 27 14.055 -2.223 -12.389 1.00 0.00 N ATOM 1513 CA MET B 27 12.774 -1.501 -12.644 1.00 0.00 C ATOM 1514 C MET B 27 12.866 -0.663 -13.923 1.00 0.00 C ATOM 1515 O MET B 27 13.888 -0.074 -14.212 1.00 0.00 O ATOM 1516 CB MET B 27 12.569 -0.603 -11.426 1.00 0.00 C ATOM 1517 CG MET B 27 11.072 -0.388 -11.205 1.00 0.00 C ATOM 1518 SD MET B 27 10.548 1.094 -12.095 1.00 0.00 S ATOM 1519 CE MET B 27 11.444 2.286 -11.072 1.00 0.00 C ATOM 0 H MET B 27 14.614 -1.858 -11.617 1.00 0.00 H new ATOM 0 HA MET B 27 11.943 -2.192 -12.786 1.00 0.00 H new ATOM 0 HB2 MET B 27 13.017 -1.060 -10.543 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.067 0.354 -11.577 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.512 -1.255 -11.556 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.861 -0.282 -10.141 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.886 3.221 -11.029 1.00 0.00 H new ATOM 0 HE2 MET B 27 11.560 1.886 -10.065 1.00 0.00 H new ATOM 0 HE3 MET B 27 12.427 2.470 -11.505 1.00 0.00 H new ATOM 1529 N PRO B 28 11.780 -0.650 -14.648 1.00 0.00 N ATOM 1530 CA PRO B 28 11.709 0.107 -15.921 1.00 0.00 C ATOM 1531 C PRO B 28 11.543 1.611 -15.676 1.00 0.00 C ATOM 1532 O PRO B 28 10.472 2.171 -15.865 1.00 0.00 O ATOM 1533 CB PRO B 28 10.466 -0.455 -16.600 1.00 0.00 C ATOM 1534 CG PRO B 28 9.610 -0.971 -15.486 1.00 0.00 C ATOM 1535 CD PRO B 28 10.524 -1.346 -14.349 1.00 0.00 C ATOM 0 HA PRO B 28 12.617 0.001 -16.515 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.947 0.315 -17.171 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.725 -1.250 -17.299 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.895 -0.212 -15.169 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.033 -1.835 -15.815 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.114 -1.032 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.670 -2.425 -14.296 1.00 0.00 H new ATOM 1543 N VAL B 29 12.591 2.288 -15.294 1.00 0.00 N ATOM 1544 CA VAL B 29 12.460 3.755 -15.094 1.00 0.00 C ATOM 1545 C VAL B 29 12.507 4.419 -16.475 1.00 0.00 C ATOM 1546 O VAL B 29 12.824 3.784 -17.460 1.00 0.00 O ATOM 1547 CB VAL B 29 13.619 4.208 -14.181 1.00 0.00 C ATOM 1548 CG1 VAL B 29 14.186 3.054 -13.363 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.737 4.795 -14.993 1.00 0.00 C ATOM 0 H VAL B 29 13.516 1.896 -15.115 1.00 0.00 H new ATOM 0 HA VAL B 29 11.522 4.036 -14.615 1.00 0.00 H new ATOM 0 HB VAL B 29 13.204 4.956 -13.506 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.999 3.418 -12.735 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.401 2.634 -12.734 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.564 2.283 -14.035 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.543 5.108 -14.330 1.00 0.00 H new ATOM 0 HG22 VAL B 29 15.111 4.047 -15.691 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.369 5.658 -15.549 1.00 0.00 H new ATOM 1559 N LEU B 30 12.168 5.666 -16.570 1.00 0.00 N ATOM 1560 CA LEU B 30 12.171 6.323 -17.905 1.00 0.00 C ATOM 1561 C LEU B 30 13.453 7.123 -18.165 1.00 0.00 C ATOM 1562 O LEU B 30 14.199 6.849 -19.084 1.00 0.00 O ATOM 1563 CB LEU B 30 10.982 7.260 -17.825 1.00 0.00 C ATOM 1564 CG LEU B 30 9.705 6.452 -17.672 1.00 0.00 C ATOM 1565 CD1 LEU B 30 8.694 7.298 -16.913 1.00 0.00 C ATOM 1566 CD2 LEU B 30 9.157 6.088 -19.050 1.00 0.00 C ATOM 0 H LEU B 30 11.890 6.260 -15.789 1.00 0.00 H new ATOM 0 HA LEU B 30 12.119 5.597 -18.716 1.00 0.00 H new ATOM 0 HB2 LEU B 30 11.098 7.939 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU B 30 10.930 7.875 -18.724 1.00 0.00 H new ATOM 0 HG LEU B 30 9.903 5.530 -17.125 1.00 0.00 H new ATOM 0 HD11 LEU B 30 7.768 6.736 -16.792 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.096 7.552 -15.932 1.00 0.00 H new ATOM 0 HD13 LEU B 30 8.493 8.213 -17.471 1.00 0.00 H new ATOM 0 HD21 LEU B 30 8.241 5.508 -18.936 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.943 6.999 -19.609 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.896 5.496 -19.591 1.00 0.00 H new ATOM 1697 N LEU B 40 13.030 8.772 -14.193 1.00 0.00 N ATOM 1698 CA LEU B 40 11.587 8.889 -13.940 1.00 0.00 C ATOM 1699 C LEU B 40 11.065 7.474 -13.931 1.00 0.00 C ATOM 1700 O LEU B 40 11.839 6.538 -13.920 1.00 0.00 O ATOM 1701 CB LEU B 40 11.024 9.691 -15.114 1.00 0.00 C ATOM 1702 CG LEU B 40 10.625 11.086 -14.629 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.302 10.996 -13.864 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.720 11.641 -13.708 1.00 0.00 C ATOM 0 HA LEU B 40 11.319 9.383 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.768 9.768 -15.907 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.159 9.180 -15.537 1.00 0.00 H new ATOM 0 HG LEU B 40 10.505 11.751 -15.484 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.014 11.988 -13.517 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.527 10.603 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.421 10.332 -13.008 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.436 12.635 -13.363 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.843 10.980 -12.850 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.660 11.703 -14.256 1.00 0.00 H new ATOM 1716 N TYR B 41 9.801 7.270 -13.931 1.00 0.00 N ATOM 1717 CA TYR B 41 9.350 5.866 -13.917 1.00 0.00 C ATOM 1718 C TYR B 41 8.011 5.697 -14.621 1.00 0.00 C ATOM 1719 O TYR B 41 7.028 6.313 -14.260 1.00 0.00 O ATOM 1720 CB TYR B 41 9.229 5.528 -12.433 1.00 0.00 C ATOM 1721 CG TYR B 41 10.548 5.774 -11.730 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.621 4.908 -11.944 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.696 6.856 -10.850 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.836 5.114 -11.281 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.918 7.055 -10.188 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.981 6.183 -10.403 1.00 0.00 C ATOM 1727 OH TYR B 41 14.181 6.383 -9.751 1.00 0.00 O ATOM 0 H TYR B 41 9.073 7.984 -13.940 1.00 0.00 H new ATOM 0 HA TYR B 41 10.041 5.210 -14.446 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.447 6.135 -11.977 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.934 4.486 -12.313 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.513 4.076 -12.624 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.872 7.534 -10.682 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.663 4.441 -11.452 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.033 7.887 -9.510 1.00 0.00 H new ATOM 0 HH TYR B 41 14.200 7.286 -9.371 1.00 0.00 H new ATOM 1737 N ASP B 42 7.949 4.845 -15.612 1.00 0.00 N ATOM 1738 CA ASP B 42 6.646 4.639 -16.296 1.00 0.00 C ATOM 1739 C ASP B 42 5.671 4.037 -15.293 1.00 0.00 C ATOM 1740 O ASP B 42 5.566 2.834 -15.158 1.00 0.00 O ATOM 1741 CB ASP B 42 6.920 3.668 -17.438 1.00 0.00 C ATOM 1742 CG ASP B 42 6.624 4.353 -18.775 1.00 0.00 C ATOM 1743 OD1 ASP B 42 5.771 5.225 -18.796 1.00 0.00 O ATOM 1744 OD2 ASP B 42 7.250 3.989 -19.757 1.00 0.00 O ATOM 0 H ASP B 42 8.730 4.295 -15.969 1.00 0.00 H new ATOM 0 HA ASP B 42 6.215 5.564 -16.678 1.00 0.00 H new ATOM 0 HB2 ASP B 42 7.959 3.339 -17.408 1.00 0.00 H new ATOM 0 HB3 ASP B 42 6.301 2.778 -17.329 1.00 0.00 H new ATOM 1749 N SER B 43 4.984 4.882 -14.575 1.00 0.00 N ATOM 1750 CA SER B 43 4.014 4.415 -13.541 1.00 0.00 C ATOM 1751 C SER B 43 3.382 3.088 -13.929 1.00 0.00 C ATOM 1752 O SER B 43 3.095 2.268 -13.087 1.00 0.00 O ATOM 1753 CB SER B 43 2.942 5.498 -13.490 1.00 0.00 C ATOM 1754 OG SER B 43 3.420 6.664 -14.144 1.00 0.00 O ATOM 0 H SER B 43 5.055 5.896 -14.662 1.00 0.00 H new ATOM 0 HA SER B 43 4.506 4.257 -12.581 1.00 0.00 H new ATOM 0 HB2 SER B 43 2.030 5.145 -13.971 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.688 5.726 -12.455 1.00 0.00 H new ATOM 0 HG SER B 43 3.479 6.498 -15.108 1.00 0.00 H new ATOM 1760 N ALA B 44 3.163 2.863 -15.191 1.00 0.00 N ATOM 1761 CA ALA B 44 2.540 1.571 -15.595 1.00 0.00 C ATOM 1762 C ALA B 44 3.623 0.529 -15.834 1.00 0.00 C ATOM 1763 O ALA B 44 3.519 -0.599 -15.399 1.00 0.00 O ATOM 1764 CB ALA B 44 1.772 1.860 -16.874 1.00 0.00 C ATOM 0 H ALA B 44 3.383 3.505 -15.952 1.00 0.00 H new ATOM 0 HA ALA B 44 1.878 1.176 -14.824 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.290 0.947 -17.223 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.014 2.619 -16.680 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.460 2.221 -17.638 1.00 0.00 H new ATOM 1770 N ALA B 45 4.681 0.901 -16.490 1.00 0.00 N ATOM 1771 CA ALA B 45 5.773 -0.076 -16.701 1.00 0.00 C ATOM 1772 C ALA B 45 6.369 -0.383 -15.335 1.00 0.00 C ATOM 1773 O ALA B 45 6.951 -1.425 -15.102 1.00 0.00 O ATOM 1774 CB ALA B 45 6.796 0.625 -17.598 1.00 0.00 C ATOM 0 H ALA B 45 4.835 1.829 -16.885 1.00 0.00 H new ATOM 0 HA ALA B 45 5.445 -1.007 -17.163 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.631 -0.048 -17.792 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.325 0.900 -18.542 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.161 1.523 -17.100 1.00 0.00 H new ATOM 1780 N VAL B 46 6.206 0.538 -14.423 1.00 0.00 N ATOM 1781 CA VAL B 46 6.736 0.345 -13.053 1.00 0.00 C ATOM 1782 C VAL B 46 5.927 -0.714 -12.304 1.00 0.00 C ATOM 1783 O VAL B 46 6.437 -1.368 -11.422 1.00 0.00 O ATOM 1784 CB VAL B 46 6.574 1.695 -12.358 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.098 1.586 -10.931 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.367 2.772 -13.096 1.00 0.00 C ATOM 0 H VAL B 46 5.722 1.423 -14.576 1.00 0.00 H new ATOM 0 HA VAL B 46 7.773 0.009 -13.074 1.00 0.00 H new ATOM 0 HB VAL B 46 5.519 1.968 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.986 2.546 -10.428 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.532 0.826 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.152 1.308 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.241 3.728 -12.588 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.423 2.503 -13.107 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.003 2.854 -14.120 1.00 0.00 H new ATOM 1796 N ILE B 47 4.669 -0.892 -12.631 1.00 0.00 N ATOM 1797 CA ILE B 47 3.872 -1.927 -11.886 1.00 0.00 C ATOM 1798 C ILE B 47 3.941 -3.277 -12.565 1.00 0.00 C ATOM 1799 O ILE B 47 4.266 -4.259 -11.940 1.00 0.00 O ATOM 1800 CB ILE B 47 2.413 -1.484 -11.808 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.085 -0.412 -12.836 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.169 -0.941 -10.417 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.656 0.078 -12.619 1.00 0.00 C ATOM 0 H ILE B 47 4.168 -0.383 -13.360 1.00 0.00 H new ATOM 0 HA ILE B 47 4.297 -2.023 -10.887 1.00 0.00 H new ATOM 0 HB ILE B 47 1.773 -2.340 -12.021 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.784 0.420 -12.746 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.195 -0.813 -13.844 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.132 -0.616 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.367 -1.721 -9.682 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.831 -0.095 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.419 0.846 -13.355 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.036 -0.757 -12.731 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.563 0.495 -11.616 1.00 0.00 H new ATOM 1815 N LYS B 48 3.629 -3.358 -13.826 1.00 0.00 N ATOM 1816 CA LYS B 48 3.688 -4.681 -14.493 1.00 0.00 C ATOM 1817 C LYS B 48 4.989 -5.369 -14.054 1.00 0.00 C ATOM 1818 O LYS B 48 5.077 -6.578 -13.926 1.00 0.00 O ATOM 1819 CB LYS B 48 3.676 -4.366 -16.001 1.00 0.00 C ATOM 1820 CG LYS B 48 4.550 -5.366 -16.767 1.00 0.00 C ATOM 1821 CD LYS B 48 4.381 -5.153 -18.273 1.00 0.00 C ATOM 1822 CE LYS B 48 4.706 -3.699 -18.625 1.00 0.00 C ATOM 1823 NZ LYS B 48 5.487 -3.776 -19.892 1.00 0.00 N ATOM 0 H LYS B 48 3.340 -2.577 -14.415 1.00 0.00 H new ATOM 0 HA LYS B 48 2.864 -5.349 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.654 -4.404 -16.378 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.040 -3.353 -16.169 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.596 -5.238 -16.487 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.271 -6.386 -16.501 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.039 -5.827 -18.822 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.360 -5.391 -18.572 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.797 -3.112 -18.756 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.283 -3.221 -17.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 5.747 -2.817 -20.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.350 -4.335 -19.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.910 -4.230 -20.629 1.00 0.00 H new ATOM 1837 N TRP B 49 5.984 -4.566 -13.785 1.00 0.00 N ATOM 1838 CA TRP B 49 7.297 -5.092 -13.318 1.00 0.00 C ATOM 1839 C TRP B 49 7.283 -5.235 -11.788 1.00 0.00 C ATOM 1840 O TRP B 49 7.947 -6.086 -11.231 1.00 0.00 O ATOM 1841 CB TRP B 49 8.296 -4.031 -13.784 1.00 0.00 C ATOM 1842 CG TRP B 49 9.548 -4.078 -12.969 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.719 -4.613 -13.382 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.781 -3.567 -11.626 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.662 -4.450 -12.382 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.129 -3.815 -11.279 1.00 0.00 C ATOM 1847 CE3 TRP B 49 8.964 -2.918 -10.688 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.647 -3.428 -10.045 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.482 -2.532 -9.442 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.821 -2.786 -9.125 1.00 0.00 C ATOM 0 H TRP B 49 5.940 -3.551 -13.871 1.00 0.00 H new ATOM 0 HA TRP B 49 7.543 -6.079 -13.709 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.536 -4.190 -14.835 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.844 -3.042 -13.706 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.890 -5.089 -14.336 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.631 -4.761 -12.452 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.930 -2.714 -10.926 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.681 -3.624 -9.803 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.844 -2.037 -8.725 1.00 0.00 H new ATOM 0 HH2 TRP B 49 11.215 -2.484 -8.166 1.00 0.00 H new ATOM 1861 N TYR B 50 6.523 -4.413 -11.103 1.00 0.00 N ATOM 1862 CA TYR B 50 6.460 -4.514 -9.614 1.00 0.00 C ATOM 1863 C TYR B 50 5.335 -5.475 -9.194 1.00 0.00 C ATOM 1864 O TYR B 50 5.307 -5.967 -8.083 1.00 0.00 O ATOM 1865 CB TYR B 50 6.169 -3.082 -9.133 1.00 0.00 C ATOM 1866 CG TYR B 50 5.275 -3.098 -7.909 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.890 -3.278 -8.050 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.835 -2.949 -6.637 1.00 0.00 C ATOM 1869 CE1 TYR B 50 3.069 -3.306 -6.916 1.00 0.00 C ATOM 1870 CE2 TYR B 50 5.016 -2.976 -5.503 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.633 -3.154 -5.641 1.00 0.00 C ATOM 1872 OH TYR B 50 2.827 -3.182 -4.523 1.00 0.00 O ATOM 0 H TYR B 50 5.945 -3.679 -11.512 1.00 0.00 H new ATOM 0 HA TYR B 50 7.381 -4.906 -9.183 1.00 0.00 H new ATOM 0 HB2 TYR B 50 7.105 -2.575 -8.899 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.690 -2.515 -9.932 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.458 -3.395 -9.033 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.901 -2.813 -6.529 1.00 0.00 H new ATOM 0 HE1 TYR B 50 2.003 -3.444 -7.023 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.450 -2.860 -4.521 1.00 0.00 H new ATOM 0 HH TYR B 50 3.377 -3.063 -3.720 1.00 0.00 H new ATOM 1882 N ALA B 51 4.405 -5.729 -10.066 1.00 0.00 N ATOM 1883 CA ALA B 51 3.282 -6.635 -9.717 1.00 0.00 C ATOM 1884 C ALA B 51 3.705 -8.085 -9.918 1.00 0.00 C ATOM 1885 O ALA B 51 3.183 -8.988 -9.297 1.00 0.00 O ATOM 1886 CB ALA B 51 2.165 -6.268 -10.694 1.00 0.00 C ATOM 0 H ALA B 51 4.374 -5.346 -11.011 1.00 0.00 H new ATOM 0 HA ALA B 51 2.969 -6.530 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.294 -6.895 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.895 -5.220 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.509 -6.427 -11.716 1.00 0.00 H new