USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 MET CE :methyl -169:sc= -2.85! (180deg=-3.11!) USER MOD Set 2.2: A 40 ASN : amide:sc= -1.07! X(o=-3.9!,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0741 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= 0.00857 F(o=-0.57,f=0.0086) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.06) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.948 K(o=0.95,f=-0.89) USER MOD Single : A 35 GLN :FLIP amide:sc= -4.25! C(o=-6.5!,f=-4.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1.01) USER MOD Single : A 57 CYS SG : rot 154:sc= -0.56 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.151 F(o=-0.71,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= -0.604 (180deg=-1.63!) USER MOD Single : A 65 ASN :FLIP amide:sc= -1.9! C(o=-4.6!,f=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0101 (180deg=-0.155) USER MOD Single : A 72 TYR OH : rot 83:sc= 0.0744 USER MOD Single : A 74 LYS NZ :NH3+ -109:sc= -0.173 (180deg=-0.575) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.0275 (180deg=-0.246) USER MOD Single : A 80 ASN : amide:sc= -1.18! C(o=-1.2!,f=-3.8!) USER MOD Single : A 84 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.49) USER MOD Single : A 86 HIS : no HD1:sc= 0.459 K(o=0.46,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.811 -30.260 -24.770 1.00 0.00 N ATOM 2 CA GLY A 1 -2.046 -29.062 -24.353 1.00 0.00 C ATOM 3 C GLY A 1 -1.619 -29.147 -22.908 1.00 0.00 C ATOM 4 O GLY A 1 -2.188 -29.917 -22.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.253 -30.806 -25.457 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.011 -30.851 -23.938 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.707 -29.965 -25.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.166 -28.954 -24.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.656 -28.171 -24.500 1.00 0.00 H new ATOM 10 N SER A 2 -0.616 -28.369 -22.543 1.00 0.00 N ATOM 11 CA SER A 2 -0.096 -28.382 -21.190 1.00 0.00 C ATOM 12 C SER A 2 -0.411 -27.068 -20.483 1.00 0.00 C ATOM 13 O SER A 2 -0.638 -26.041 -21.129 1.00 0.00 O ATOM 14 CB SER A 2 1.414 -28.631 -21.219 1.00 0.00 C ATOM 15 OG SER A 2 2.065 -27.734 -22.105 1.00 0.00 O ATOM 0 H SER A 2 -0.144 -27.717 -23.170 1.00 0.00 H new ATOM 0 HA SER A 2 -0.575 -29.188 -20.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.823 -28.516 -20.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.610 -29.658 -21.528 1.00 0.00 H new ATOM 0 HG SER A 2 3.028 -27.914 -22.103 1.00 0.00 H new ATOM 21 N ALA A 3 -0.452 -27.112 -19.159 1.00 0.00 N ATOM 22 CA ALA A 3 -0.686 -25.919 -18.360 1.00 0.00 C ATOM 23 C ALA A 3 0.538 -25.018 -18.396 1.00 0.00 C ATOM 24 O ALA A 3 1.670 -25.503 -18.418 1.00 0.00 O ATOM 25 CB ALA A 3 -1.030 -26.299 -16.926 1.00 0.00 C ATOM 0 H ALA A 3 -0.326 -27.965 -18.614 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.531 -25.374 -18.781 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.202 -25.395 -16.341 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.931 -26.913 -16.918 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.204 -26.861 -16.490 1.00 0.00 H new ATOM 31 N MET A 4 0.313 -23.713 -18.402 1.00 0.00 N ATOM 32 CA MET A 4 1.400 -22.746 -18.506 1.00 0.00 C ATOM 33 C MET A 4 2.041 -22.503 -17.143 1.00 0.00 C ATOM 34 O MET A 4 2.051 -21.380 -16.634 1.00 0.00 O ATOM 35 CB MET A 4 0.897 -21.423 -19.097 1.00 0.00 C ATOM 36 CG MET A 4 0.393 -21.536 -20.530 1.00 0.00 C ATOM 37 SD MET A 4 -1.168 -22.432 -20.667 1.00 0.00 S ATOM 38 CE MET A 4 -1.384 -22.469 -22.444 1.00 0.00 C ATOM 0 H MET A 4 -0.616 -23.296 -18.336 1.00 0.00 H new ATOM 0 HA MET A 4 2.154 -23.160 -19.175 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.093 -21.039 -18.469 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.705 -20.692 -19.063 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.268 -20.536 -20.944 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.147 -22.039 -21.135 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.309 -22.992 -22.687 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.432 -21.449 -22.826 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.542 -22.988 -22.902 1.00 0.00 H new ATOM 48 N GLY A 5 2.574 -23.567 -16.561 1.00 0.00 N ATOM 49 CA GLY A 5 3.192 -23.474 -15.256 1.00 0.00 C ATOM 50 C GLY A 5 2.179 -23.239 -14.155 1.00 0.00 C ATOM 51 O GLY A 5 0.977 -23.143 -14.410 1.00 0.00 O ATOM 0 H GLY A 5 2.589 -24.500 -16.974 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.742 -24.393 -15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.918 -22.661 -15.258 1.00 0.00 H new ATOM 55 N HIS A 6 2.660 -23.152 -12.929 1.00 0.00 N ATOM 56 CA HIS A 6 1.808 -22.879 -11.783 1.00 0.00 C ATOM 57 C HIS A 6 2.510 -21.921 -10.838 1.00 0.00 C ATOM 58 O HIS A 6 2.718 -22.219 -9.662 1.00 0.00 O ATOM 59 CB HIS A 6 1.424 -24.171 -11.054 1.00 0.00 C ATOM 60 CG HIS A 6 0.441 -25.008 -11.812 1.00 0.00 C ATOM 61 ND1 HIS A 6 0.762 -26.221 -12.381 1.00 0.00 N ATOM 62 CD2 HIS A 6 -0.864 -24.795 -12.099 1.00 0.00 C ATOM 63 CE1 HIS A 6 -0.300 -26.715 -12.986 1.00 0.00 C ATOM 64 NE2 HIS A 6 -1.302 -25.871 -12.830 1.00 0.00 N ATOM 0 H HIS A 6 3.647 -23.268 -12.698 1.00 0.00 H new ATOM 0 HA HIS A 6 0.887 -22.418 -12.141 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.324 -24.757 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.002 -23.920 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.452 -23.937 -11.807 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.343 -27.653 -13.520 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.247 -25.997 -13.193 1.00 0.00 H new ATOM 73 N MET A 7 2.892 -20.775 -11.377 1.00 0.00 N ATOM 74 CA MET A 7 3.562 -19.743 -10.603 1.00 0.00 C ATOM 75 C MET A 7 2.659 -18.519 -10.478 1.00 0.00 C ATOM 76 O MET A 7 2.711 -17.609 -11.310 1.00 0.00 O ATOM 77 CB MET A 7 4.887 -19.363 -11.269 1.00 0.00 C ATOM 78 CG MET A 7 5.691 -18.330 -10.497 1.00 0.00 C ATOM 79 SD MET A 7 7.226 -17.888 -11.335 1.00 0.00 S ATOM 80 CE MET A 7 7.878 -16.664 -10.202 1.00 0.00 C ATOM 0 H MET A 7 2.748 -20.535 -12.358 1.00 0.00 H new ATOM 0 HA MET A 7 3.773 -20.127 -9.605 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.491 -20.262 -11.392 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.683 -18.977 -12.268 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.086 -17.434 -10.356 1.00 0.00 H new ATOM 0 HG3 MET A 7 5.921 -18.719 -9.505 1.00 0.00 H new ATOM 0 HE1 MET A 7 8.830 -16.290 -10.579 1.00 0.00 H new ATOM 0 HE2 MET A 7 7.173 -15.837 -10.114 1.00 0.00 H new ATOM 0 HE3 MET A 7 8.028 -17.118 -9.223 1.00 0.00 H new ATOM 90 N PRO A 8 1.803 -18.490 -9.446 1.00 0.00 N ATOM 91 CA PRO A 8 0.847 -17.405 -9.237 1.00 0.00 C ATOM 92 C PRO A 8 1.527 -16.130 -8.763 1.00 0.00 C ATOM 93 O PRO A 8 2.430 -16.168 -7.930 1.00 0.00 O ATOM 94 CB PRO A 8 -0.095 -17.941 -8.148 1.00 0.00 C ATOM 95 CG PRO A 8 0.260 -19.381 -7.977 1.00 0.00 C ATOM 96 CD PRO A 8 1.695 -19.505 -8.394 1.00 0.00 C ATOM 0 HA PRO A 8 0.333 -17.139 -10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.034 -17.393 -7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.138 -17.828 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.126 -19.696 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.380 -20.016 -8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.377 -19.308 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.926 -20.503 -8.767 1.00 0.00 H new ATOM 104 N ALA A 9 1.096 -15.005 -9.305 1.00 0.00 N ATOM 105 CA ALA A 9 1.630 -13.718 -8.912 1.00 0.00 C ATOM 106 C ALA A 9 0.507 -12.812 -8.432 1.00 0.00 C ATOM 107 O ALA A 9 -0.360 -12.416 -9.212 1.00 0.00 O ATOM 108 CB ALA A 9 2.382 -13.075 -10.068 1.00 0.00 C ATOM 0 H ALA A 9 0.373 -14.959 -10.023 1.00 0.00 H new ATOM 0 HA ALA A 9 2.333 -13.866 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.776 -12.109 -9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.206 -13.721 -10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.704 -12.934 -10.909 1.00 0.00 H new ATOM 114 N VAL A 10 0.521 -12.494 -7.148 1.00 0.00 N ATOM 115 CA VAL A 10 -0.512 -11.656 -6.568 1.00 0.00 C ATOM 116 C VAL A 10 -0.095 -10.195 -6.645 1.00 0.00 C ATOM 117 O VAL A 10 0.925 -9.804 -6.083 1.00 0.00 O ATOM 118 CB VAL A 10 -0.786 -12.037 -5.095 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.903 -11.184 -4.512 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.124 -13.517 -4.978 1.00 0.00 C ATOM 0 H VAL A 10 1.236 -12.804 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.428 -11.811 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 10 0.121 -11.845 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.077 -11.471 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.618 -10.133 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.816 -11.336 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.314 -13.765 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.013 -13.735 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.288 -14.111 -5.346 1.00 0.00 H new ATOM 130 N ASP A 11 -0.880 -9.400 -7.350 1.00 0.00 N ATOM 131 CA ASP A 11 -0.564 -7.993 -7.536 1.00 0.00 C ATOM 132 C ASP A 11 -1.767 -7.142 -7.150 1.00 0.00 C ATOM 133 O ASP A 11 -2.842 -7.263 -7.744 1.00 0.00 O ATOM 134 CB ASP A 11 -0.171 -7.734 -8.995 1.00 0.00 C ATOM 135 CG ASP A 11 0.450 -6.370 -9.208 1.00 0.00 C ATOM 136 OD1 ASP A 11 -0.292 -5.368 -9.242 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.690 -6.294 -9.372 1.00 0.00 O ATOM 0 H ASP A 11 -1.742 -9.704 -7.804 1.00 0.00 H new ATOM 0 HA ASP A 11 0.277 -7.724 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.532 -8.502 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.055 -7.827 -9.625 1.00 0.00 H new ATOM 142 N VAL A 12 -1.582 -6.292 -6.149 1.00 0.00 N ATOM 143 CA VAL A 12 -2.665 -5.470 -5.623 1.00 0.00 C ATOM 144 C VAL A 12 -2.318 -3.987 -5.738 1.00 0.00 C ATOM 145 O VAL A 12 -1.172 -3.595 -5.498 1.00 0.00 O ATOM 146 CB VAL A 12 -2.960 -5.817 -4.144 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.123 -4.994 -3.607 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.245 -7.305 -3.987 1.00 0.00 C ATOM 0 H VAL A 12 -0.686 -6.153 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.555 -5.679 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.073 -5.570 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.307 -5.260 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.880 -3.934 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.016 -5.199 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.450 -7.528 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.111 -7.575 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.379 -7.878 -4.317 1.00 0.00 H new ATOM 158 N GLU A 13 -3.294 -3.171 -6.116 1.00 0.00 N ATOM 159 CA GLU A 13 -3.076 -1.741 -6.253 1.00 0.00 C ATOM 160 C GLU A 13 -3.761 -0.992 -5.116 1.00 0.00 C ATOM 161 O GLU A 13 -4.944 -1.198 -4.835 1.00 0.00 O ATOM 162 CB GLU A 13 -3.583 -1.235 -7.612 1.00 0.00 C ATOM 163 CG GLU A 13 -5.074 -1.440 -7.834 1.00 0.00 C ATOM 164 CD GLU A 13 -5.566 -0.841 -9.135 1.00 0.00 C ATOM 165 OE1 GLU A 13 -5.495 0.393 -9.294 1.00 0.00 O ATOM 166 OE2 GLU A 13 -6.059 -1.599 -9.993 1.00 0.00 O ATOM 0 H GLU A 13 -4.243 -3.477 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.004 -1.553 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.356 -0.172 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.035 -1.744 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.294 -2.508 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.624 -0.995 -7.005 1.00 0.00 H new ATOM 173 N ILE A 14 -3.006 -0.140 -4.452 1.00 0.00 N ATOM 174 CA ILE A 14 -3.530 0.668 -3.369 1.00 0.00 C ATOM 175 C ILE A 14 -3.426 2.141 -3.744 1.00 0.00 C ATOM 176 O ILE A 14 -2.534 2.526 -4.498 1.00 0.00 O ATOM 177 CB ILE A 14 -2.757 0.411 -2.054 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.797 -1.082 -1.696 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.332 1.248 -0.924 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.125 -1.422 -0.378 1.00 0.00 C ATOM 0 H ILE A 14 -2.016 0.012 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.573 0.395 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.717 0.704 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.837 -1.407 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.316 -1.649 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.775 1.053 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.254 2.305 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.380 0.987 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.197 -2.495 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.076 -1.130 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.619 -0.885 0.432 1.00 0.00 H new ATOM 192 N HIS A 15 -4.335 2.964 -3.246 1.00 0.00 N ATOM 193 CA HIS A 15 -4.316 4.383 -3.566 1.00 0.00 C ATOM 194 C HIS A 15 -4.308 5.230 -2.301 1.00 0.00 C ATOM 195 O HIS A 15 -5.180 5.100 -1.449 1.00 0.00 O ATOM 196 CB HIS A 15 -5.512 4.753 -4.445 1.00 0.00 C ATOM 197 CG HIS A 15 -5.505 4.071 -5.778 1.00 0.00 C ATOM 198 ND1 HIS A 15 -4.805 4.334 -6.907 1.00 0.00 N flip ATOM 199 CD2 HIS A 15 -6.290 2.973 -6.066 1.00 0.00 C flip ATOM 200 CE1 HIS A 15 -5.174 3.401 -7.840 1.00 0.00 C flip ATOM 201 NE2 HIS A 15 -6.068 2.593 -7.308 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.090 2.677 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.399 4.589 -4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.432 4.498 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.521 5.832 -4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.978 2.500 -5.381 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.793 3.338 -8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.514 1.805 -7.779 1.00 0.00 H new ATOM 210 N PHE A 16 -3.302 6.076 -2.184 1.00 0.00 N ATOM 211 CA PHE A 16 -3.181 6.995 -1.064 1.00 0.00 C ATOM 212 C PHE A 16 -3.021 8.420 -1.580 1.00 0.00 C ATOM 213 O PHE A 16 -1.985 8.755 -2.139 1.00 0.00 O ATOM 214 CB PHE A 16 -1.965 6.637 -0.203 1.00 0.00 C ATOM 215 CG PHE A 16 -2.064 5.322 0.517 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.230 4.951 1.160 1.00 0.00 C ATOM 217 CD2 PHE A 16 -0.977 4.469 0.568 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.310 3.756 1.841 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.050 3.270 1.245 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.219 2.913 1.882 1.00 0.00 C ATOM 0 H PHE A 16 -2.544 6.147 -2.863 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.084 6.918 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.080 6.620 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.814 7.427 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.088 5.606 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.059 4.745 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.226 3.480 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.194 2.613 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.281 1.974 2.413 1.00 0.00 H new ATOM 230 N PRO A 17 -4.047 9.276 -1.436 1.00 0.00 N ATOM 231 CA PRO A 17 -3.958 10.676 -1.865 1.00 0.00 C ATOM 232 C PRO A 17 -2.804 11.398 -1.182 1.00 0.00 C ATOM 233 O PRO A 17 -2.747 11.435 0.050 1.00 0.00 O ATOM 234 CB PRO A 17 -5.290 11.286 -1.436 1.00 0.00 C ATOM 235 CG PRO A 17 -6.212 10.134 -1.236 1.00 0.00 C ATOM 236 CD PRO A 17 -5.358 8.954 -0.857 1.00 0.00 C ATOM 0 HA PRO A 17 -3.774 10.761 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.179 11.863 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.672 11.967 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.939 10.352 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.775 9.927 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.300 8.832 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.757 8.024 -1.261 1.00 0.00 H new ATOM 244 N LEU A 18 -1.907 11.979 -1.985 1.00 0.00 N ATOM 245 CA LEU A 18 -0.643 12.529 -1.493 1.00 0.00 C ATOM 246 C LEU A 18 -0.796 13.353 -0.212 1.00 0.00 C ATOM 247 O LEU A 18 -0.071 13.135 0.755 1.00 0.00 O ATOM 248 CB LEU A 18 0.055 13.395 -2.555 1.00 0.00 C ATOM 249 CG LEU A 18 -0.689 13.668 -3.867 1.00 0.00 C ATOM 250 CD1 LEU A 18 -0.217 14.981 -4.469 1.00 0.00 C ATOM 251 CD2 LEU A 18 -0.447 12.543 -4.862 1.00 0.00 C ATOM 0 H LEU A 18 -2.037 12.080 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.030 11.657 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.290 14.357 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.004 12.919 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.756 13.728 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.751 15.167 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.414 15.794 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.853 14.926 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.983 12.754 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.620 12.465 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.804 11.603 -4.442 1.00 0.00 H new ATOM 263 N LYS A 19 -1.734 14.289 -0.194 1.00 0.00 N ATOM 264 CA LYS A 19 -1.855 15.194 0.947 1.00 0.00 C ATOM 265 C LYS A 19 -2.526 14.526 2.146 1.00 0.00 C ATOM 266 O LYS A 19 -2.242 14.866 3.294 1.00 0.00 O ATOM 267 CB LYS A 19 -2.611 16.465 0.564 1.00 0.00 C ATOM 268 CG LYS A 19 -4.056 16.253 0.164 1.00 0.00 C ATOM 269 CD LYS A 19 -4.683 17.554 -0.307 1.00 0.00 C ATOM 270 CE LYS A 19 -6.187 17.447 -0.420 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.847 17.438 0.911 1.00 0.00 N ATOM 0 H LYS A 19 -2.412 14.443 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.840 15.462 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.580 17.156 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.088 16.946 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.112 15.509 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.618 15.859 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.427 18.353 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.265 17.829 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.567 18.283 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.446 16.536 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.877 17.517 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.624 16.549 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.503 18.241 1.475 1.00 0.00 H new ATOM 285 N ARG A 20 -3.395 13.564 1.878 1.00 0.00 N ATOM 286 CA ARG A 20 -4.136 12.892 2.943 1.00 0.00 C ATOM 287 C ARG A 20 -3.276 11.834 3.615 1.00 0.00 C ATOM 288 O ARG A 20 -3.367 11.627 4.821 1.00 0.00 O ATOM 289 CB ARG A 20 -5.426 12.270 2.399 1.00 0.00 C ATOM 290 CG ARG A 20 -6.411 13.310 1.899 1.00 0.00 C ATOM 291 CD ARG A 20 -7.685 12.692 1.338 1.00 0.00 C ATOM 292 NE ARG A 20 -8.749 12.645 2.337 1.00 0.00 N ATOM 293 CZ ARG A 20 -10.040 12.461 2.066 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.452 12.267 0.819 1.00 0.00 N ATOM 295 NH2 ARG A 20 -10.922 12.476 3.056 1.00 0.00 N ATOM 0 H ARG A 20 -3.607 13.230 0.938 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.405 13.639 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.181 11.587 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.897 11.676 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.668 13.983 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.935 13.914 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.020 13.269 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.474 11.683 0.983 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.484 12.762 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.777 12.258 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.444 12.127 0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.610 12.628 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.913 12.336 2.858 1.00 0.00 H new ATOM 309 N ILE A 21 -2.416 11.188 2.841 1.00 0.00 N ATOM 310 CA ILE A 21 -1.506 10.197 3.396 1.00 0.00 C ATOM 311 C ILE A 21 -0.396 10.891 4.184 1.00 0.00 C ATOM 312 O ILE A 21 0.310 10.269 4.970 1.00 0.00 O ATOM 313 CB ILE A 21 -0.903 9.287 2.292 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.045 8.163 2.893 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.075 10.101 1.307 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.732 7.375 3.986 1.00 0.00 C ATOM 0 H ILE A 21 -2.329 11.331 1.835 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.077 9.557 4.069 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.738 8.832 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.247 7.479 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.872 8.596 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.336 9.440 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.707 10.852 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.740 10.594 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.058 6.602 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.000 8.044 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.634 6.910 3.587 1.00 0.00 H new ATOM 328 N ALA A 22 -0.271 12.198 3.981 1.00 0.00 N ATOM 329 CA ALA A 22 0.723 12.992 4.689 1.00 0.00 C ATOM 330 C ALA A 22 0.164 13.532 6.003 1.00 0.00 C ATOM 331 O ALA A 22 0.896 14.104 6.811 1.00 0.00 O ATOM 332 CB ALA A 22 1.206 14.136 3.808 1.00 0.00 C ATOM 0 H ALA A 22 -0.848 12.730 3.330 1.00 0.00 H new ATOM 0 HA ALA A 22 1.568 12.345 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.949 14.723 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.653 13.732 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.362 14.774 3.544 1.00 0.00 H new ATOM 338 N ALA A 23 -1.132 13.347 6.216 1.00 0.00 N ATOM 339 CA ALA A 23 -1.784 13.837 7.423 1.00 0.00 C ATOM 340 C ALA A 23 -1.604 12.851 8.570 1.00 0.00 C ATOM 341 O ALA A 23 -1.497 11.645 8.356 1.00 0.00 O ATOM 342 CB ALA A 23 -3.263 14.080 7.157 1.00 0.00 C ATOM 0 H ALA A 23 -1.753 12.861 5.569 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.319 14.780 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.741 14.446 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.373 14.821 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.735 13.147 6.849 1.00 0.00 H new ATOM 348 N GLU A 24 -1.554 13.376 9.788 1.00 0.00 N ATOM 349 CA GLU A 24 -1.411 12.554 10.982 1.00 0.00 C ATOM 350 C GLU A 24 -2.757 11.953 11.359 1.00 0.00 C ATOM 351 O GLU A 24 -2.851 10.788 11.746 1.00 0.00 O ATOM 352 CB GLU A 24 -0.862 13.394 12.140 1.00 0.00 C ATOM 353 CG GLU A 24 -0.543 12.593 13.396 1.00 0.00 C ATOM 354 CD GLU A 24 0.576 11.592 13.190 1.00 0.00 C ATOM 355 OE1 GLU A 24 1.758 12.001 13.212 1.00 0.00 O ATOM 356 OE2 GLU A 24 0.283 10.391 13.013 1.00 0.00 O ATOM 0 H GLU A 24 -1.611 14.377 9.975 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.708 11.747 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.043 13.903 11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.589 14.167 12.390 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.267 13.278 14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.440 12.066 13.722 1.00 0.00 H new ATOM 363 N GLY A 25 -3.804 12.755 11.227 1.00 0.00 N ATOM 364 CA GLY A 25 -5.146 12.287 11.504 1.00 0.00 C ATOM 365 C GLY A 25 -5.821 11.755 10.256 1.00 0.00 C ATOM 366 O GLY A 25 -6.987 12.054 9.994 1.00 0.00 O ATOM 0 H GLY A 25 -3.746 13.729 10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.109 11.503 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.738 13.103 11.919 1.00 0.00 H new ATOM 370 N TYR A 26 -5.082 10.960 9.492 1.00 0.00 N ATOM 371 CA TYR A 26 -5.571 10.415 8.228 1.00 0.00 C ATOM 372 C TYR A 26 -6.660 9.368 8.457 1.00 0.00 C ATOM 373 O TYR A 26 -7.325 8.931 7.521 1.00 0.00 O ATOM 374 CB TYR A 26 -4.411 9.804 7.434 1.00 0.00 C ATOM 375 CG TYR A 26 -3.699 8.676 8.165 1.00 0.00 C ATOM 376 CD1 TYR A 26 -4.246 7.400 8.238 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.479 8.897 8.786 1.00 0.00 C ATOM 378 CE1 TYR A 26 -3.599 6.382 8.907 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.825 7.885 9.457 1.00 0.00 C ATOM 380 CZ TYR A 26 -2.389 6.630 9.515 1.00 0.00 C ATOM 381 OH TYR A 26 -1.736 5.620 10.182 1.00 0.00 O ATOM 0 H TYR A 26 -4.131 10.675 9.728 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.007 11.234 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.791 9.427 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.689 10.587 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.195 7.202 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.033 9.880 8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.039 5.397 8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.875 8.076 9.935 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.896 5.962 10.552 1.00 0.00 H new ATOM 391 N ALA A 27 -6.830 8.965 9.712 1.00 0.00 N ATOM 392 CA ALA A 27 -7.856 7.996 10.075 1.00 0.00 C ATOM 393 C ALA A 27 -9.244 8.578 9.849 1.00 0.00 C ATOM 394 O ALA A 27 -10.223 7.848 9.696 1.00 0.00 O ATOM 395 CB ALA A 27 -7.687 7.569 11.525 1.00 0.00 C ATOM 0 H ALA A 27 -6.268 9.296 10.496 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.745 7.118 9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.460 6.845 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.705 7.115 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.775 8.441 12.174 1.00 0.00 H new ATOM 401 N GLU A 28 -9.313 9.903 9.821 1.00 0.00 N ATOM 402 CA GLU A 28 -10.563 10.606 9.575 1.00 0.00 C ATOM 403 C GLU A 28 -10.878 10.648 8.088 1.00 0.00 C ATOM 404 O GLU A 28 -12.015 10.919 7.687 1.00 0.00 O ATOM 405 CB GLU A 28 -10.479 12.023 10.134 1.00 0.00 C ATOM 406 CG GLU A 28 -10.531 12.075 11.648 1.00 0.00 C ATOM 407 CD GLU A 28 -11.867 11.613 12.185 1.00 0.00 C ATOM 408 OE1 GLU A 28 -12.792 12.448 12.274 1.00 0.00 O ATOM 409 OE2 GLU A 28 -12.005 10.417 12.517 1.00 0.00 O ATOM 0 H GLU A 28 -8.510 10.515 9.967 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.367 10.068 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.553 12.486 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.300 12.615 9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.739 11.450 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.339 13.094 11.983 1.00 0.00 H new ATOM 416 N ASP A 29 -9.866 10.386 7.272 1.00 0.00 N ATOM 417 CA ASP A 29 -10.029 10.360 5.834 1.00 0.00 C ATOM 418 C ASP A 29 -10.596 9.014 5.408 1.00 0.00 C ATOM 419 O ASP A 29 -9.858 8.053 5.197 1.00 0.00 O ATOM 420 CB ASP A 29 -8.687 10.627 5.148 1.00 0.00 C ATOM 421 CG ASP A 29 -8.143 12.001 5.478 1.00 0.00 C ATOM 422 OD1 ASP A 29 -8.672 12.999 4.942 1.00 0.00 O ATOM 423 OD2 ASP A 29 -7.191 12.097 6.268 1.00 0.00 O ATOM 0 H ASP A 29 -8.917 10.187 7.590 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.726 11.143 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.966 9.869 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.807 10.535 4.069 1.00 0.00 H new ATOM 428 N GLU A 30 -11.917 8.963 5.274 1.00 0.00 N ATOM 429 CA GLU A 30 -12.621 7.715 5.012 1.00 0.00 C ATOM 430 C GLU A 30 -12.154 7.098 3.704 1.00 0.00 C ATOM 431 O GLU A 30 -12.122 5.882 3.566 1.00 0.00 O ATOM 432 CB GLU A 30 -14.130 7.953 4.957 1.00 0.00 C ATOM 433 CG GLU A 30 -14.947 6.674 4.921 1.00 0.00 C ATOM 434 CD GLU A 30 -16.346 6.895 4.391 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.230 7.317 5.167 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.572 6.643 3.190 1.00 0.00 O ATOM 0 H GLU A 30 -12.525 9.779 5.343 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.398 7.026 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.428 8.540 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.363 8.548 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.438 5.939 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.005 6.255 5.926 1.00 0.00 H new ATOM 443 N LEU A 31 -11.769 7.946 2.760 1.00 0.00 N ATOM 444 CA LEU A 31 -11.305 7.494 1.462 1.00 0.00 C ATOM 445 C LEU A 31 -10.119 6.545 1.648 1.00 0.00 C ATOM 446 O LEU A 31 -10.067 5.469 1.048 1.00 0.00 O ATOM 447 CB LEU A 31 -10.931 8.728 0.619 1.00 0.00 C ATOM 448 CG LEU A 31 -10.752 8.524 -0.894 1.00 0.00 C ATOM 449 CD1 LEU A 31 -9.299 8.261 -1.233 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.630 7.391 -1.402 1.00 0.00 C ATOM 0 H LEU A 31 -11.770 8.960 2.874 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.086 6.943 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.702 9.484 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.002 9.138 1.016 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.062 9.442 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.196 8.120 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.693 9.111 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.961 7.363 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.483 7.270 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.362 6.466 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.676 7.624 -1.204 1.00 0.00 H new ATOM 462 N LEU A 32 -9.218 6.921 2.551 1.00 0.00 N ATOM 463 CA LEU A 32 -8.045 6.140 2.859 1.00 0.00 C ATOM 464 C LEU A 32 -8.454 4.801 3.470 1.00 0.00 C ATOM 465 O LEU A 32 -7.934 3.742 3.103 1.00 0.00 O ATOM 466 CB LEU A 32 -7.190 6.937 3.843 1.00 0.00 C ATOM 467 CG LEU A 32 -5.692 6.748 3.702 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.206 7.329 2.386 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.959 7.387 4.863 1.00 0.00 C ATOM 0 H LEU A 32 -9.291 7.785 3.089 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.476 5.936 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.419 7.996 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.480 6.662 4.857 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.481 5.679 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.129 7.185 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.706 6.825 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.433 8.394 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.886 7.239 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.178 8.455 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.285 6.928 5.796 1.00 0.00 H new ATOM 481 N LEU A 33 -9.416 4.865 4.382 1.00 0.00 N ATOM 482 CA LEU A 33 -9.904 3.688 5.087 1.00 0.00 C ATOM 483 C LEU A 33 -10.636 2.753 4.129 1.00 0.00 C ATOM 484 O LEU A 33 -10.416 1.546 4.143 1.00 0.00 O ATOM 485 CB LEU A 33 -10.828 4.122 6.223 1.00 0.00 C ATOM 486 CG LEU A 33 -10.884 3.185 7.439 1.00 0.00 C ATOM 487 CD1 LEU A 33 -11.610 1.889 7.112 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.481 2.889 7.957 1.00 0.00 C ATOM 0 H LEU A 33 -9.879 5.733 4.653 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.056 3.145 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.514 5.109 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.837 4.228 5.824 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.446 3.696 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.630 1.251 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.631 2.112 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.090 1.374 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.544 2.224 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.896 2.411 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.998 3.820 8.253 1.00 0.00 H new ATOM 500 N ASN A 34 -11.493 3.323 3.288 1.00 0.00 N ATOM 501 CA ASN A 34 -12.267 2.544 2.322 1.00 0.00 C ATOM 502 C ASN A 34 -11.351 1.725 1.436 1.00 0.00 C ATOM 503 O ASN A 34 -11.574 0.532 1.232 1.00 0.00 O ATOM 504 CB ASN A 34 -13.128 3.458 1.444 1.00 0.00 C ATOM 505 CG ASN A 34 -14.251 4.132 2.204 1.00 0.00 C ATOM 506 OD1 ASN A 34 -14.812 3.570 3.145 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.585 5.348 1.800 1.00 0.00 N ATOM 0 H ASN A 34 -11.671 4.327 3.255 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.917 1.876 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.493 4.221 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.551 2.873 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.333 5.855 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.094 5.778 1.016 1.00 0.00 H new ATOM 514 N GLN A 35 -10.302 2.363 0.938 1.00 0.00 N ATOM 515 CA GLN A 35 -9.359 1.694 0.056 1.00 0.00 C ATOM 516 C GLN A 35 -8.633 0.576 0.797 1.00 0.00 C ATOM 517 O GLN A 35 -8.525 -0.551 0.296 1.00 0.00 O ATOM 518 CB GLN A 35 -8.358 2.707 -0.498 1.00 0.00 C ATOM 519 CG GLN A 35 -8.960 3.627 -1.552 1.00 0.00 C ATOM 520 CD GLN A 35 -8.247 4.965 -1.683 1.00 0.00 C ATOM 521 OE1 GLN A 35 -7.894 5.577 -0.562 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -8.090 5.485 -2.787 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.083 3.341 1.129 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.908 1.250 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.969 3.310 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.512 2.173 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.940 3.120 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.007 3.807 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.373 4.986 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.677 6.415 -2.859 1.00 0.00 H new ATOM 531 N MET A 36 -8.193 0.869 2.017 1.00 0.00 N ATOM 532 CA MET A 36 -7.471 -0.116 2.812 1.00 0.00 C ATOM 533 C MET A 36 -8.408 -0.919 3.700 1.00 0.00 C ATOM 534 O MET A 36 -7.989 -1.502 4.699 1.00 0.00 O ATOM 535 CB MET A 36 -6.379 0.540 3.648 1.00 0.00 C ATOM 536 CG MET A 36 -5.209 1.015 2.813 1.00 0.00 C ATOM 537 SD MET A 36 -4.636 -0.250 1.664 1.00 0.00 S ATOM 538 CE MET A 36 -4.100 -1.549 2.775 1.00 0.00 C ATOM 0 H MET A 36 -8.323 1.772 2.473 1.00 0.00 H new ATOM 0 HA MET A 36 -7.000 -0.806 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.801 1.387 4.189 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.023 -0.170 4.394 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.500 1.905 2.255 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.389 1.305 3.470 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.548 -2.303 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.456 -1.126 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.970 -2.010 3.242 1.00 0.00 H new ATOM 548 N GLY A 37 -9.682 -0.885 3.367 1.00 0.00 N ATOM 549 CA GLY A 37 -10.614 -1.858 3.892 1.00 0.00 C ATOM 550 C GLY A 37 -11.055 -2.802 2.796 1.00 0.00 C ATOM 551 O GLY A 37 -11.324 -3.980 3.033 1.00 0.00 O ATOM 0 H GLY A 37 -10.093 -0.196 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.147 -2.420 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.481 -1.351 4.316 1.00 0.00 H new ATOM 555 N LYS A 38 -11.102 -2.267 1.582 1.00 0.00 N ATOM 556 CA LYS A 38 -11.493 -3.021 0.403 1.00 0.00 C ATOM 557 C LYS A 38 -10.423 -4.039 0.023 1.00 0.00 C ATOM 558 O LYS A 38 -10.656 -5.245 0.071 1.00 0.00 O ATOM 559 CB LYS A 38 -11.716 -2.064 -0.764 1.00 0.00 C ATOM 560 CG LYS A 38 -12.297 -2.727 -2.002 1.00 0.00 C ATOM 561 CD LYS A 38 -13.730 -3.180 -1.767 1.00 0.00 C ATOM 562 CE LYS A 38 -14.321 -3.829 -3.007 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.747 -4.192 -2.811 1.00 0.00 N ATOM 0 H LYS A 38 -10.868 -1.293 1.390 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.415 -3.556 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.385 -1.266 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.766 -1.598 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.267 -2.029 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.684 -3.584 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.758 -3.887 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.340 -2.324 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.232 -3.146 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.749 -4.723 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.116 -4.632 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.829 -4.863 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.297 -3.336 -2.597 1.00 0.00 H new ATOM 577 N VAL A 39 -9.242 -3.549 -0.340 1.00 0.00 N ATOM 578 CA VAL A 39 -8.169 -4.421 -0.816 1.00 0.00 C ATOM 579 C VAL A 39 -7.299 -4.865 0.352 1.00 0.00 C ATOM 580 O VAL A 39 -6.074 -4.939 0.258 1.00 0.00 O ATOM 581 CB VAL A 39 -7.298 -3.729 -1.894 1.00 0.00 C ATOM 582 CG1 VAL A 39 -8.128 -3.421 -3.131 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.656 -2.455 -1.354 1.00 0.00 C ATOM 0 H VAL A 39 -9.002 -2.558 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.633 -5.293 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.498 -4.417 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.501 -2.935 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.528 -4.348 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.951 -2.759 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.051 -1.993 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.435 -1.760 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.022 -2.700 -0.502 1.00 0.00 H new ATOM 593 N ASN A 40 -7.954 -5.192 1.450 1.00 0.00 N ATOM 594 CA ASN A 40 -7.258 -5.412 2.702 1.00 0.00 C ATOM 595 C ASN A 40 -7.779 -6.630 3.455 1.00 0.00 C ATOM 596 O ASN A 40 -7.073 -7.199 4.286 1.00 0.00 O ATOM 597 CB ASN A 40 -7.400 -4.169 3.563 1.00 0.00 C ATOM 598 CG ASN A 40 -6.784 -4.351 4.927 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.464 -4.656 5.909 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.479 -4.199 4.982 1.00 0.00 N ATOM 0 H ASN A 40 -8.966 -5.311 1.500 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.210 -5.608 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.926 -3.325 3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.456 -3.923 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.987 -4.334 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.959 -3.946 4.142 1.00 0.00 H new ATOM 607 N ASP A 41 -9.004 -7.035 3.158 1.00 0.00 N ATOM 608 CA ASP A 41 -9.638 -8.125 3.891 1.00 0.00 C ATOM 609 C ASP A 41 -8.879 -9.432 3.693 1.00 0.00 C ATOM 610 O ASP A 41 -8.648 -10.178 4.646 1.00 0.00 O ATOM 611 CB ASP A 41 -11.093 -8.291 3.451 1.00 0.00 C ATOM 612 CG ASP A 41 -11.778 -9.446 4.150 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.150 -9.292 5.333 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.944 -10.513 3.522 1.00 0.00 O ATOM 0 H ASP A 41 -9.578 -6.629 2.419 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.616 -7.873 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.639 -7.370 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.128 -8.449 2.373 1.00 0.00 H new ATOM 619 N THR A 42 -8.490 -9.696 2.457 1.00 0.00 N ATOM 620 CA THR A 42 -7.684 -10.862 2.145 1.00 0.00 C ATOM 621 C THR A 42 -6.546 -10.479 1.195 1.00 0.00 C ATOM 622 O THR A 42 -6.617 -10.679 -0.019 1.00 0.00 O ATOM 623 CB THR A 42 -8.539 -12.012 1.559 1.00 0.00 C ATOM 624 OG1 THR A 42 -7.703 -13.088 1.117 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.421 -11.535 0.413 1.00 0.00 C ATOM 0 H THR A 42 -8.721 -9.115 1.651 1.00 0.00 H new ATOM 0 HA THR A 42 -7.252 -11.231 3.075 1.00 0.00 H new ATOM 0 HB THR A 42 -9.190 -12.369 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.260 -13.806 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.004 -12.372 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.095 -10.757 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.796 -11.134 -0.385 1.00 0.00 H new ATOM 633 N PRO A 43 -5.482 -9.885 1.750 1.00 0.00 N ATOM 634 CA PRO A 43 -4.326 -9.453 0.984 1.00 0.00 C ATOM 635 C PRO A 43 -3.243 -10.528 0.898 1.00 0.00 C ATOM 636 O PRO A 43 -2.099 -10.233 0.542 1.00 0.00 O ATOM 637 CB PRO A 43 -3.828 -8.254 1.791 1.00 0.00 C ATOM 638 CG PRO A 43 -4.241 -8.522 3.208 1.00 0.00 C ATOM 639 CD PRO A 43 -5.332 -9.566 3.175 1.00 0.00 C ATOM 0 HA PRO A 43 -4.574 -9.228 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.746 -8.150 1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.266 -7.326 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.392 -8.873 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.599 -7.608 3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.057 -10.448 3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.261 -9.184 3.598 1.00 0.00 H new ATOM 647 N GLU A 44 -3.617 -11.761 1.253 1.00 0.00 N ATOM 648 CA GLU A 44 -2.716 -12.920 1.242 1.00 0.00 C ATOM 649 C GLU A 44 -1.704 -12.849 2.390 1.00 0.00 C ATOM 650 O GLU A 44 -1.487 -13.833 3.095 1.00 0.00 O ATOM 651 CB GLU A 44 -1.998 -13.058 -0.107 1.00 0.00 C ATOM 652 CG GLU A 44 -1.135 -14.303 -0.216 1.00 0.00 C ATOM 653 CD GLU A 44 -1.930 -15.588 -0.081 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.427 -16.095 -1.105 1.00 0.00 O ATOM 655 OE2 GLU A 44 -2.052 -16.106 1.048 1.00 0.00 O ATOM 0 H GLU A 44 -4.563 -11.986 1.559 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.330 -13.809 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.741 -13.071 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.374 -12.179 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.621 -14.299 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.366 -14.275 0.556 1.00 0.00 H new ATOM 662 N GLU A 45 -1.081 -11.690 2.557 1.00 0.00 N ATOM 663 CA GLU A 45 -0.191 -11.440 3.683 1.00 0.00 C ATOM 664 C GLU A 45 -0.905 -11.675 5.008 1.00 0.00 C ATOM 665 O GLU A 45 -0.743 -12.717 5.644 1.00 0.00 O ATOM 666 CB GLU A 45 0.316 -9.998 3.637 1.00 0.00 C ATOM 667 CG GLU A 45 1.347 -9.740 2.564 1.00 0.00 C ATOM 668 CD GLU A 45 2.675 -10.384 2.882 1.00 0.00 C ATOM 669 OE1 GLU A 45 3.268 -10.039 3.933 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.141 -11.209 2.077 1.00 0.00 O ATOM 0 H GLU A 45 -1.178 -10.900 1.919 1.00 0.00 H new ATOM 0 HA GLU A 45 0.648 -12.132 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.532 -9.331 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.745 -9.744 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.980 -10.120 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.485 -8.665 2.446 1.00 0.00 H new ATOM 677 N GLU A 46 -1.703 -10.695 5.405 1.00 0.00 N ATOM 678 CA GLU A 46 -2.415 -10.734 6.671 1.00 0.00 C ATOM 679 C GLU A 46 -3.760 -10.045 6.520 1.00 0.00 C ATOM 680 O GLU A 46 -4.718 -10.634 6.029 1.00 0.00 O ATOM 681 CB GLU A 46 -1.595 -10.042 7.764 1.00 0.00 C ATOM 682 CG GLU A 46 -0.271 -10.722 8.062 1.00 0.00 C ATOM 683 CD GLU A 46 0.623 -9.890 8.950 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.414 -9.088 8.410 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.546 -10.043 10.188 1.00 0.00 O ATOM 0 H GLU A 46 -1.874 -9.851 4.858 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.571 -11.774 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.404 -9.012 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.186 -10.003 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.460 -11.683 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.246 -10.929 7.125 1.00 0.00 H new ATOM 692 N GLY A 47 -3.823 -8.794 6.947 1.00 0.00 N ATOM 693 CA GLY A 47 -4.951 -7.954 6.632 1.00 0.00 C ATOM 694 C GLY A 47 -4.849 -6.634 7.350 1.00 0.00 C ATOM 695 O GLY A 47 -4.329 -5.656 6.808 1.00 0.00 O ATOM 0 H GLY A 47 -3.103 -8.344 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.996 -7.786 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.876 -8.457 6.915 1.00 0.00 H new ATOM 699 N MET A 48 -5.281 -6.623 8.596 1.00 0.00 N ATOM 700 CA MET A 48 -5.196 -5.439 9.425 1.00 0.00 C ATOM 701 C MET A 48 -3.763 -4.876 9.495 1.00 0.00 C ATOM 702 O MET A 48 -3.570 -3.670 9.318 1.00 0.00 O ATOM 703 CB MET A 48 -5.755 -5.749 10.818 1.00 0.00 C ATOM 704 CG MET A 48 -5.336 -4.756 11.885 1.00 0.00 C ATOM 705 SD MET A 48 -3.788 -5.218 12.684 1.00 0.00 S ATOM 706 CE MET A 48 -3.442 -3.726 13.598 1.00 0.00 C ATOM 0 H MET A 48 -5.698 -7.430 9.059 1.00 0.00 H new ATOM 0 HA MET A 48 -5.802 -4.656 8.968 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.843 -5.772 10.765 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.429 -6.746 11.116 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.229 -3.768 11.436 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.122 -4.682 12.637 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.511 -3.846 14.151 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.348 -2.889 12.906 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.256 -3.530 14.296 1.00 0.00 H new ATOM 716 N PRO A 49 -2.727 -5.718 9.705 1.00 0.00 N ATOM 717 CA PRO A 49 -1.349 -5.243 9.805 1.00 0.00 C ATOM 718 C PRO A 49 -0.824 -4.825 8.441 1.00 0.00 C ATOM 719 O PRO A 49 0.027 -3.946 8.337 1.00 0.00 O ATOM 720 CB PRO A 49 -0.575 -6.459 10.347 1.00 0.00 C ATOM 721 CG PRO A 49 -1.630 -7.431 10.761 1.00 0.00 C ATOM 722 CD PRO A 49 -2.774 -7.176 9.842 1.00 0.00 C ATOM 0 HA PRO A 49 -1.250 -4.367 10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.077 -6.884 9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.059 -6.181 11.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.276 -8.458 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.919 -7.280 11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.650 -7.681 8.884 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.720 -7.517 10.262 1.00 0.00 H new ATOM 730 N LEU A 50 -1.368 -5.456 7.397 1.00 0.00 N ATOM 731 CA LEU A 50 -1.044 -5.106 6.020 1.00 0.00 C ATOM 732 C LEU A 50 -1.361 -3.634 5.801 1.00 0.00 C ATOM 733 O LEU A 50 -0.560 -2.889 5.247 1.00 0.00 O ATOM 734 CB LEU A 50 -1.858 -5.999 5.055 1.00 0.00 C ATOM 735 CG LEU A 50 -1.464 -5.984 3.563 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.757 -4.642 2.908 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.001 -6.341 3.386 1.00 0.00 C ATOM 0 H LEU A 50 -2.040 -6.218 7.486 1.00 0.00 H new ATOM 0 HA LEU A 50 0.015 -5.272 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.789 -7.027 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.905 -5.706 5.129 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.076 -6.737 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.464 -4.678 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.823 -4.427 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.194 -3.859 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.252 -6.324 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.617 -5.618 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.181 -7.338 3.786 1.00 0.00 H new ATOM 749 N ARG A 51 -2.521 -3.220 6.288 1.00 0.00 N ATOM 750 CA ARG A 51 -2.946 -1.835 6.184 1.00 0.00 C ATOM 751 C ARG A 51 -2.065 -0.927 7.023 1.00 0.00 C ATOM 752 O ARG A 51 -1.569 0.084 6.535 1.00 0.00 O ATOM 753 CB ARG A 51 -4.411 -1.705 6.603 1.00 0.00 C ATOM 754 CG ARG A 51 -4.879 -0.281 6.845 1.00 0.00 C ATOM 755 CD ARG A 51 -6.374 -0.222 7.118 1.00 0.00 C ATOM 756 NE ARG A 51 -6.745 -0.904 8.357 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.748 -1.778 8.464 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.443 -2.147 7.390 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.045 -2.290 9.651 1.00 0.00 N ATOM 0 H ARG A 51 -3.188 -3.829 6.762 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.848 -1.522 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.037 -2.152 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.567 -2.284 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.337 0.142 7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.643 0.333 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.689 0.820 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.910 -0.674 6.284 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.201 -0.698 9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.211 -1.761 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.208 -2.816 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.508 -2.015 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.810 -2.959 9.741 1.00 0.00 H new ATOM 773 N ALA A 52 -1.859 -1.305 8.274 1.00 0.00 N ATOM 774 CA ALA A 52 -1.077 -0.497 9.193 1.00 0.00 C ATOM 775 C ALA A 52 0.338 -0.257 8.672 1.00 0.00 C ATOM 776 O ALA A 52 0.806 0.881 8.647 1.00 0.00 O ATOM 777 CB ALA A 52 -1.033 -1.155 10.563 1.00 0.00 C ATOM 0 H ALA A 52 -2.224 -2.168 8.676 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.564 0.474 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.444 -0.540 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.047 -1.256 10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.577 -2.141 10.478 1.00 0.00 H new ATOM 783 N TRP A 53 1.014 -1.318 8.234 1.00 0.00 N ATOM 784 CA TRP A 53 2.387 -1.182 7.771 1.00 0.00 C ATOM 785 C TRP A 53 2.441 -0.482 6.417 1.00 0.00 C ATOM 786 O TRP A 53 3.331 0.334 6.177 1.00 0.00 O ATOM 787 CB TRP A 53 3.125 -2.541 7.741 1.00 0.00 C ATOM 788 CG TRP A 53 2.958 -3.374 6.501 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.170 -4.475 6.374 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.623 -3.214 5.236 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.282 -4.996 5.111 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.160 -4.239 4.391 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.550 -2.297 4.729 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.592 -4.375 3.076 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.980 -2.434 3.424 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.498 -3.466 2.608 1.00 0.00 C ATOM 0 H TRP A 53 0.638 -2.265 8.191 1.00 0.00 H new ATOM 0 HA TRP A 53 2.913 -0.555 8.491 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.189 -2.353 7.884 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.788 -3.130 8.594 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.545 -4.881 7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.788 -5.818 4.765 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.923 -1.495 5.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.224 -5.172 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.700 -1.734 3.026 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.849 -3.544 1.590 1.00 0.00 H new ATOM 807 N VAL A 54 1.494 -0.796 5.536 1.00 0.00 N ATOM 808 CA VAL A 54 1.507 -0.244 4.190 1.00 0.00 C ATOM 809 C VAL A 54 1.180 1.250 4.214 1.00 0.00 C ATOM 810 O VAL A 54 1.836 2.044 3.538 1.00 0.00 O ATOM 811 CB VAL A 54 0.560 -1.023 3.238 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.817 -0.391 3.141 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.188 -1.164 1.860 1.00 0.00 C ATOM 0 H VAL A 54 0.715 -1.425 5.731 1.00 0.00 H new ATOM 0 HA VAL A 54 2.516 -0.360 3.793 1.00 0.00 H new ATOM 0 HB VAL A 54 0.421 -2.015 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.439 -0.975 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.278 -0.370 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.724 0.627 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.510 -1.713 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.374 -0.175 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.130 -1.706 1.943 1.00 0.00 H new ATOM 823 N ILE A 55 0.180 1.633 5.012 1.00 0.00 N ATOM 824 CA ILE A 55 -0.142 3.038 5.207 1.00 0.00 C ATOM 825 C ILE A 55 1.029 3.770 5.857 1.00 0.00 C ATOM 826 O ILE A 55 1.371 4.884 5.465 1.00 0.00 O ATOM 827 CB ILE A 55 -1.420 3.206 6.061 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.636 2.716 5.278 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.609 4.646 6.504 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.942 2.870 6.028 1.00 0.00 C ATOM 0 H ILE A 55 -0.416 0.987 5.530 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.330 3.476 4.227 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.310 2.602 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.699 3.266 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.495 1.666 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.517 4.727 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.752 4.958 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.694 5.288 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.762 2.502 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.899 2.297 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.107 3.922 6.259 1.00 0.00 H new ATOM 842 N LYS A 56 1.662 3.125 6.832 1.00 0.00 N ATOM 843 CA LYS A 56 2.797 3.718 7.525 1.00 0.00 C ATOM 844 C LYS A 56 3.982 3.905 6.580 1.00 0.00 C ATOM 845 O LYS A 56 4.613 4.962 6.565 1.00 0.00 O ATOM 846 CB LYS A 56 3.213 2.849 8.713 1.00 0.00 C ATOM 847 CG LYS A 56 4.378 3.413 9.504 1.00 0.00 C ATOM 848 CD LYS A 56 4.720 2.530 10.690 1.00 0.00 C ATOM 849 CE LYS A 56 5.906 3.072 11.465 1.00 0.00 C ATOM 850 NZ LYS A 56 7.173 2.977 10.692 1.00 0.00 N ATOM 0 H LYS A 56 1.407 2.193 7.159 1.00 0.00 H new ATOM 0 HA LYS A 56 2.489 4.698 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.359 2.727 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.479 1.856 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.249 3.507 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.131 4.415 9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.856 2.456 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.942 1.521 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.720 4.113 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.010 2.520 12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.970 3.263 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.313 1.997 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.123 3.605 9.864 1.00 0.00 H new ATOM 864 N CYS A 57 4.270 2.883 5.783 1.00 0.00 N ATOM 865 CA CYS A 57 5.402 2.927 4.866 1.00 0.00 C ATOM 866 C CYS A 57 5.201 4.020 3.824 1.00 0.00 C ATOM 867 O CYS A 57 6.114 4.799 3.548 1.00 0.00 O ATOM 868 CB CYS A 57 5.593 1.570 4.186 1.00 0.00 C ATOM 869 SG CYS A 57 7.148 1.413 3.274 1.00 0.00 S ATOM 0 H CYS A 57 3.736 2.015 5.753 1.00 0.00 H new ATOM 0 HA CYS A 57 6.301 3.156 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.547 0.787 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.763 1.399 3.500 1.00 0.00 H new ATOM 0 HG CYS A 57 7.490 0.160 3.211 1.00 0.00 H new ATOM 875 N ALA A 58 3.996 4.091 3.269 1.00 0.00 N ATOM 876 CA ALA A 58 3.664 5.125 2.300 1.00 0.00 C ATOM 877 C ALA A 58 3.734 6.502 2.948 1.00 0.00 C ATOM 878 O ALA A 58 4.173 7.468 2.332 1.00 0.00 O ATOM 879 CB ALA A 58 2.282 4.884 1.720 1.00 0.00 C ATOM 0 H ALA A 58 3.234 3.444 3.474 1.00 0.00 H new ATOM 0 HA ALA A 58 4.392 5.085 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.049 5.666 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.260 3.913 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.543 4.899 2.521 1.00 0.00 H new ATOM 885 N HIS A 59 3.313 6.569 4.204 1.00 0.00 N ATOM 886 CA HIS A 59 3.329 7.808 4.973 1.00 0.00 C ATOM 887 C HIS A 59 4.758 8.343 5.088 1.00 0.00 C ATOM 888 O HIS A 59 5.027 9.509 4.783 1.00 0.00 O ATOM 889 CB HIS A 59 2.750 7.550 6.370 1.00 0.00 C ATOM 890 CG HIS A 59 2.253 8.772 7.080 1.00 0.00 C ATOM 891 ND1 HIS A 59 2.452 10.086 6.835 1.00 0.00 N flip ATOM 892 CD2 HIS A 59 1.426 8.711 8.178 1.00 0.00 C flip ATOM 893 CE1 HIS A 59 1.746 10.789 7.777 1.00 0.00 C flip ATOM 894 NE2 HIS A 59 1.133 9.935 8.574 1.00 0.00 N flip ATOM 0 H HIS A 59 2.951 5.767 4.719 1.00 0.00 H new ATOM 0 HA HIS A 59 2.720 8.554 4.461 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.929 6.839 6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.516 7.077 6.984 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.072 7.803 8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.699 11.865 7.854 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.534 10.179 9.363 1.00 0.00 H new ATOM 903 N GLU A 60 5.669 7.472 5.511 1.00 0.00 N ATOM 904 CA GLU A 60 7.064 7.848 5.704 1.00 0.00 C ATOM 905 C GLU A 60 7.751 8.126 4.369 1.00 0.00 C ATOM 906 O GLU A 60 8.613 9.002 4.274 1.00 0.00 O ATOM 907 CB GLU A 60 7.811 6.747 6.460 1.00 0.00 C ATOM 908 CG GLU A 60 7.217 6.444 7.826 1.00 0.00 C ATOM 909 CD GLU A 60 8.025 5.432 8.609 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.800 4.216 8.433 1.00 0.00 O ATOM 911 OE2 GLU A 60 8.880 5.846 9.421 1.00 0.00 O ATOM 0 H GLU A 60 5.464 6.497 5.727 1.00 0.00 H new ATOM 0 HA GLU A 60 7.086 8.764 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.807 5.837 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.853 7.043 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.148 7.368 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.201 6.071 7.700 1.00 0.00 H new ATOM 918 N ALA A 61 7.369 7.380 3.341 1.00 0.00 N ATOM 919 CA ALA A 61 7.943 7.560 2.013 1.00 0.00 C ATOM 920 C ALA A 61 7.508 8.886 1.400 1.00 0.00 C ATOM 921 O ALA A 61 8.313 9.606 0.814 1.00 0.00 O ATOM 922 CB ALA A 61 7.549 6.404 1.099 1.00 0.00 C ATOM 0 H ALA A 61 6.665 6.645 3.400 1.00 0.00 H new ATOM 0 HA ALA A 61 9.028 7.573 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.986 6.555 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.915 5.467 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.463 6.363 1.012 1.00 0.00 H new ATOM 928 N LEU A 62 6.234 9.206 1.565 1.00 0.00 N ATOM 929 CA LEU A 62 5.640 10.378 0.938 1.00 0.00 C ATOM 930 C LEU A 62 6.122 11.668 1.595 1.00 0.00 C ATOM 931 O LEU A 62 6.516 12.593 0.908 1.00 0.00 O ATOM 932 CB LEU A 62 4.110 10.239 0.991 1.00 0.00 C ATOM 933 CG LEU A 62 3.245 11.278 0.244 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.345 12.670 0.855 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.598 11.312 -1.230 1.00 0.00 C ATOM 0 H LEU A 62 5.584 8.664 2.135 1.00 0.00 H new ATOM 0 HA LEU A 62 5.956 10.436 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.854 9.254 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.813 10.254 2.040 1.00 0.00 H new ATOM 0 HG LEU A 62 2.208 10.960 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.718 13.361 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.009 12.637 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.380 13.009 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.976 12.051 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.648 11.580 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.424 10.329 -1.669 1.00 0.00 H new ATOM 947 N GLU A 63 6.111 11.743 2.916 1.00 0.00 N ATOM 948 CA GLU A 63 6.493 12.991 3.579 1.00 0.00 C ATOM 949 C GLU A 63 7.992 13.250 3.480 1.00 0.00 C ATOM 950 O GLU A 63 8.428 14.402 3.466 1.00 0.00 O ATOM 951 CB GLU A 63 6.091 12.992 5.050 1.00 0.00 C ATOM 952 CG GLU A 63 4.597 13.043 5.288 1.00 0.00 C ATOM 953 CD GLU A 63 4.279 13.365 6.726 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.292 12.443 7.568 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.050 14.550 7.034 1.00 0.00 O ATOM 0 H GLU A 63 5.850 10.980 3.541 1.00 0.00 H new ATOM 0 HA GLU A 63 5.958 13.786 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.492 12.097 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.555 13.848 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.149 13.794 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.152 12.084 5.021 1.00 0.00 H new ATOM 962 N LYS A 64 8.775 12.185 3.396 1.00 0.00 N ATOM 963 CA LYS A 64 10.228 12.308 3.375 1.00 0.00 C ATOM 964 C LYS A 64 10.689 12.535 1.945 1.00 0.00 C ATOM 965 O LYS A 64 11.828 12.921 1.682 1.00 0.00 O ATOM 966 CB LYS A 64 10.864 11.045 3.961 1.00 0.00 C ATOM 967 CG LYS A 64 12.380 11.098 4.063 1.00 0.00 C ATOM 968 CD LYS A 64 12.961 9.844 4.706 1.00 0.00 C ATOM 969 CE LYS A 64 12.641 8.583 3.910 1.00 0.00 C ATOM 970 NZ LYS A 64 11.319 7.996 4.272 1.00 0.00 N ATOM 0 H LYS A 64 8.431 11.226 3.341 1.00 0.00 H new ATOM 0 HA LYS A 64 10.538 13.158 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.450 10.871 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.583 10.191 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.805 11.223 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.672 11.971 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.042 9.951 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.568 9.742 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.651 8.818 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.422 7.842 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.445 7.001 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.910 8.526 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.679 8.051 3.454 1.00 0.00 H new ATOM 984 N ASN A 65 9.764 12.313 1.036 1.00 0.00 N ATOM 985 CA ASN A 65 10.007 12.429 -0.383 1.00 0.00 C ATOM 986 C ASN A 65 8.677 12.733 -1.067 1.00 0.00 C ATOM 987 O ASN A 65 8.070 11.876 -1.705 1.00 0.00 O ATOM 988 CB ASN A 65 10.624 11.123 -0.901 1.00 0.00 C ATOM 989 CG ASN A 65 10.857 11.116 -2.386 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.901 10.600 -3.118 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.893 11.567 -2.871 1.00 0.00 N flip ATOM 0 H ASN A 65 8.808 12.043 1.267 1.00 0.00 H new ATOM 0 HA ASN A 65 10.709 13.235 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.572 10.952 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.968 10.292 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.612 11.960 -2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.034 11.548 -3.881 1.00 0.00 H new ATOM 998 N PRO A 66 8.184 13.968 -0.912 1.00 0.00 N ATOM 999 CA PRO A 66 6.836 14.334 -1.330 1.00 0.00 C ATOM 1000 C PRO A 66 6.767 14.741 -2.799 1.00 0.00 C ATOM 1001 O PRO A 66 5.987 15.609 -3.188 1.00 0.00 O ATOM 1002 CB PRO A 66 6.534 15.496 -0.385 1.00 0.00 C ATOM 1003 CG PRO A 66 7.843 16.197 -0.254 1.00 0.00 C ATOM 1004 CD PRO A 66 8.897 15.115 -0.310 1.00 0.00 C ATOM 0 HA PRO A 66 6.118 13.516 -1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.767 16.154 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.171 15.143 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.982 16.920 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.899 16.749 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.752 15.418 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.278 14.874 0.682 1.00 0.00 H new ATOM 1012 N LYS A 67 7.594 14.090 -3.609 1.00 0.00 N ATOM 1013 CA LYS A 67 7.627 14.339 -5.041 1.00 0.00 C ATOM 1014 C LYS A 67 7.164 13.109 -5.814 1.00 0.00 C ATOM 1015 O LYS A 67 7.079 13.135 -7.040 1.00 0.00 O ATOM 1016 CB LYS A 67 9.042 14.727 -5.477 1.00 0.00 C ATOM 1017 CG LYS A 67 9.525 16.029 -4.863 1.00 0.00 C ATOM 1018 CD LYS A 67 10.954 16.342 -5.268 1.00 0.00 C ATOM 1019 CE LYS A 67 11.415 17.667 -4.687 1.00 0.00 C ATOM 1020 NZ LYS A 67 10.678 18.820 -5.270 1.00 0.00 N ATOM 0 H LYS A 67 8.255 13.380 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 67 6.947 15.162 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.731 13.927 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.069 14.814 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.871 16.843 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.460 15.966 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.614 15.544 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.027 16.374 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.275 17.657 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.483 17.790 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.154 19.706 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.661 18.733 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.703 18.828 -4.907 1.00 0.00 H new ATOM 1034 N ILE A 68 6.873 12.032 -5.096 1.00 0.00 N ATOM 1035 CA ILE A 68 6.396 10.806 -5.726 1.00 0.00 C ATOM 1036 C ILE A 68 4.899 10.843 -5.942 1.00 0.00 C ATOM 1037 O ILE A 68 4.193 11.689 -5.393 1.00 0.00 O ATOM 1038 CB ILE A 68 6.725 9.545 -4.903 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.425 9.772 -3.412 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.162 9.120 -5.141 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.742 8.583 -2.531 1.00 0.00 C ATOM 0 H ILE A 68 6.958 11.981 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 68 6.917 10.752 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 68 6.084 8.729 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.997 10.632 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.371 10.024 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.380 8.228 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.306 8.901 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.834 9.925 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.503 8.824 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.150 7.725 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.802 8.343 -2.612 1.00 0.00 H new ATOM 1053 N ARG A 69 4.430 9.906 -6.740 1.00 0.00 N ATOM 1054 CA ARG A 69 3.012 9.757 -6.993 1.00 0.00 C ATOM 1055 C ARG A 69 2.648 8.279 -6.992 1.00 0.00 C ATOM 1056 O ARG A 69 1.486 7.913 -7.160 1.00 0.00 O ATOM 1057 CB ARG A 69 2.611 10.411 -8.317 1.00 0.00 C ATOM 1058 CG ARG A 69 3.260 9.787 -9.539 1.00 0.00 C ATOM 1059 CD ARG A 69 2.735 10.417 -10.818 1.00 0.00 C ATOM 1060 NE ARG A 69 3.339 9.823 -12.006 1.00 0.00 N ATOM 1061 CZ ARG A 69 2.871 9.987 -13.240 1.00 0.00 C ATOM 1062 NH1 ARG A 69 1.772 10.704 -13.451 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.500 9.422 -14.264 1.00 0.00 N ATOM 0 H ARG A 69 5.017 9.230 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 69 2.462 10.264 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.528 10.353 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.872 11.469 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.341 9.913 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.064 8.715 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.652 10.298 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.938 11.488 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 69 4.171 9.247 -11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.283 11.132 -12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.417 10.827 -14.399 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.339 8.865 -14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.144 9.545 -15.212 1.00 0.00 H new ATOM 1077 N GLU A 70 3.668 7.436 -6.855 1.00 0.00 N ATOM 1078 CA GLU A 70 3.478 6.010 -6.658 1.00 0.00 C ATOM 1079 C GLU A 70 4.794 5.347 -6.233 1.00 0.00 C ATOM 1080 O GLU A 70 5.874 5.801 -6.619 1.00 0.00 O ATOM 1081 CB GLU A 70 2.931 5.383 -7.943 1.00 0.00 C ATOM 1082 CG GLU A 70 3.125 3.879 -8.024 1.00 0.00 C ATOM 1083 CD GLU A 70 2.772 3.305 -9.380 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.178 3.896 -10.402 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.091 2.263 -9.433 1.00 0.00 O ATOM 0 H GLU A 70 4.646 7.726 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 70 2.755 5.849 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.867 5.607 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.418 5.849 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.163 3.640 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.511 3.398 -7.262 1.00 0.00 H new ATOM 1092 N VAL A 71 4.693 4.280 -5.446 1.00 0.00 N ATOM 1093 CA VAL A 71 5.846 3.463 -5.071 1.00 0.00 C ATOM 1094 C VAL A 71 5.488 1.981 -5.161 1.00 0.00 C ATOM 1095 O VAL A 71 4.315 1.611 -5.095 1.00 0.00 O ATOM 1096 CB VAL A 71 6.354 3.775 -3.641 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.927 5.179 -3.562 1.00 0.00 C ATOM 1098 CG2 VAL A 71 5.247 3.589 -2.613 1.00 0.00 C ATOM 0 H VAL A 71 3.811 3.956 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 71 6.646 3.705 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 71 7.151 3.068 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.276 5.373 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.761 5.271 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.155 5.902 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.632 3.815 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.420 4.261 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.895 2.558 -2.640 1.00 0.00 H new ATOM 1108 N TYR A 72 6.492 1.134 -5.320 1.00 0.00 N ATOM 1109 CA TYR A 72 6.260 -0.300 -5.436 1.00 0.00 C ATOM 1110 C TYR A 72 6.782 -1.014 -4.200 1.00 0.00 C ATOM 1111 O TYR A 72 7.976 -0.979 -3.908 1.00 0.00 O ATOM 1112 CB TYR A 72 6.935 -0.854 -6.692 1.00 0.00 C ATOM 1113 CG TYR A 72 6.471 -0.192 -7.969 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.255 -0.530 -8.551 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.247 0.775 -8.592 1.00 0.00 C ATOM 1116 CE1 TYR A 72 4.831 0.075 -9.716 1.00 0.00 C ATOM 1117 CE2 TYR A 72 6.828 1.385 -9.756 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.620 1.031 -10.315 1.00 0.00 C ATOM 1119 OH TYR A 72 5.202 1.636 -11.477 1.00 0.00 O ATOM 0 H TYR A 72 7.472 1.411 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 72 5.187 -0.473 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.014 -0.730 -6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.741 -1.925 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.632 -1.278 -8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.196 1.055 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.884 -0.200 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.444 2.137 -10.227 1.00 0.00 H new ATOM 0 HH TYR A 72 4.594 2.374 -11.261 1.00 0.00 H new ATOM 1129 N LEU A 73 5.880 -1.657 -3.477 1.00 0.00 N ATOM 1130 CA LEU A 73 6.219 -2.276 -2.207 1.00 0.00 C ATOM 1131 C LEU A 73 6.166 -3.793 -2.271 1.00 0.00 C ATOM 1132 O LEU A 73 5.293 -4.378 -2.921 1.00 0.00 O ATOM 1133 CB LEU A 73 5.273 -1.782 -1.111 1.00 0.00 C ATOM 1134 CG LEU A 73 5.803 -0.629 -0.266 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.720 -0.118 0.673 1.00 0.00 C ATOM 1136 CD2 LEU A 73 7.024 -1.083 0.521 1.00 0.00 C ATOM 0 H LEU A 73 4.903 -1.764 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 73 7.244 -1.987 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.337 -1.471 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.040 -2.618 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 73 6.095 0.188 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.114 0.705 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.868 0.232 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.401 -0.924 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.398 -0.254 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.749 -1.911 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.801 -1.409 -0.170 1.00 0.00 H new ATOM 1148 N LYS A 74 7.117 -4.419 -1.601 1.00 0.00 N ATOM 1149 CA LYS A 74 7.105 -5.854 -1.403 1.00 0.00 C ATOM 1150 C LYS A 74 6.790 -6.117 0.067 1.00 0.00 C ATOM 1151 O LYS A 74 7.489 -5.630 0.955 1.00 0.00 O ATOM 1152 CB LYS A 74 8.457 -6.460 -1.804 1.00 0.00 C ATOM 1153 CG LYS A 74 8.436 -7.974 -2.001 1.00 0.00 C ATOM 1154 CD LYS A 74 8.393 -8.722 -0.680 1.00 0.00 C ATOM 1155 CE LYS A 74 8.293 -10.217 -0.890 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.353 -10.951 0.400 1.00 0.00 N ATOM 0 H LYS A 74 7.917 -3.946 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 74 6.347 -6.324 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.792 -5.990 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.193 -6.216 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.569 -8.249 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.320 -8.279 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.289 -8.494 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.540 -8.378 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.360 -10.452 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.104 -10.550 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.262 -11.451 0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.264 -10.277 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.575 -11.639 0.444 1.00 0.00 H new ATOM 1170 N PRO A 75 5.716 -6.868 0.336 1.00 0.00 N ATOM 1171 CA PRO A 75 5.196 -7.054 1.691 1.00 0.00 C ATOM 1172 C PRO A 75 6.082 -7.908 2.600 1.00 0.00 C ATOM 1173 O PRO A 75 7.127 -8.405 2.180 1.00 0.00 O ATOM 1174 CB PRO A 75 3.847 -7.721 1.461 1.00 0.00 C ATOM 1175 CG PRO A 75 3.996 -8.434 0.168 1.00 0.00 C ATOM 1176 CD PRO A 75 4.919 -7.591 -0.664 1.00 0.00 C ATOM 0 HA PRO A 75 5.143 -6.102 2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.604 -8.412 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.044 -6.986 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.408 -9.432 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.031 -8.558 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.547 -8.203 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.367 -6.907 -1.308 1.00 0.00 H new ATOM 1184 N ARG A 76 5.633 -8.092 3.832 1.00 0.00 N ATOM 1185 CA ARG A 76 6.470 -8.651 4.890 1.00 0.00 C ATOM 1186 C ARG A 76 6.859 -10.094 4.598 1.00 0.00 C ATOM 1187 O ARG A 76 8.048 -10.435 4.578 1.00 0.00 O ATOM 1188 CB ARG A 76 5.726 -8.598 6.223 1.00 0.00 C ATOM 1189 CG ARG A 76 4.958 -7.300 6.445 1.00 0.00 C ATOM 1190 CD ARG A 76 4.100 -7.351 7.700 1.00 0.00 C ATOM 1191 NE ARG A 76 4.897 -7.360 8.925 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.453 -7.808 10.101 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.238 -8.334 10.204 1.00 0.00 N ATOM 1194 NH2 ARG A 76 5.229 -7.733 11.174 1.00 0.00 N ATOM 0 H ARG A 76 4.685 -7.861 4.129 1.00 0.00 H new ATOM 0 HA ARG A 76 7.379 -8.052 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.030 -9.435 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.442 -8.729 7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.662 -6.471 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.324 -7.102 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.430 -6.491 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.474 -8.243 7.672 1.00 0.00 H new ATOM 0 HE ARG A 76 5.851 -7.002 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.638 -8.397 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.905 -8.675 11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.164 -7.333 11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.890 -8.075 12.073 1.00 0.00 H new ATOM 1208 N ALA A 77 5.850 -10.928 4.364 1.00 0.00 N ATOM 1209 CA ALA A 77 6.035 -12.367 4.252 1.00 0.00 C ATOM 1210 C ALA A 77 7.002 -12.728 3.133 1.00 0.00 C ATOM 1211 O ALA A 77 6.688 -12.615 1.945 1.00 0.00 O ATOM 1212 CB ALA A 77 4.696 -13.052 4.051 1.00 0.00 C ATOM 0 H ALA A 77 4.883 -10.624 4.247 1.00 0.00 H new ATOM 0 HA ALA A 77 6.476 -12.721 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.847 -14.128 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.048 -12.840 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.230 -12.680 3.138 1.00 0.00 H new ATOM 1218 N VAL A 78 8.191 -13.150 3.531 1.00 0.00 N ATOM 1219 CA VAL A 78 9.222 -13.561 2.587 1.00 0.00 C ATOM 1220 C VAL A 78 8.815 -14.848 1.870 1.00 0.00 C ATOM 1221 O VAL A 78 9.057 -15.008 0.674 1.00 0.00 O ATOM 1222 CB VAL A 78 10.584 -13.765 3.292 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.661 -14.162 2.295 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.993 -12.505 4.040 1.00 0.00 C ATOM 0 H VAL A 78 8.469 -13.218 4.510 1.00 0.00 H new ATOM 0 HA VAL A 78 9.330 -12.762 1.854 1.00 0.00 H new ATOM 0 HB VAL A 78 10.472 -14.576 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.608 -14.299 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.378 -15.094 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.770 -13.378 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.953 -12.668 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.080 -11.677 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.239 -12.267 4.790 1.00 0.00 H new ATOM 1234 N LYS A 79 8.177 -15.753 2.603 1.00 0.00 N ATOM 1235 CA LYS A 79 7.743 -17.028 2.042 1.00 0.00 C ATOM 1236 C LYS A 79 6.581 -16.835 1.068 1.00 0.00 C ATOM 1237 O LYS A 79 6.375 -17.645 0.166 1.00 0.00 O ATOM 1238 CB LYS A 79 7.351 -18.000 3.164 1.00 0.00 C ATOM 1239 CG LYS A 79 6.862 -19.358 2.673 1.00 0.00 C ATOM 1240 CD LYS A 79 7.918 -20.088 1.849 1.00 0.00 C ATOM 1241 CE LYS A 79 9.149 -20.437 2.671 1.00 0.00 C ATOM 1242 NZ LYS A 79 8.817 -21.311 3.829 1.00 0.00 N ATOM 0 H LYS A 79 7.948 -15.628 3.589 1.00 0.00 H new ATOM 0 HA LYS A 79 8.578 -17.455 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.211 -18.150 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.569 -17.542 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.583 -19.973 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.964 -19.223 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.488 -21.001 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.212 -19.465 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.879 -20.939 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.616 -19.520 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.691 -21.716 4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.338 -20.749 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.189 -22.079 3.516 1.00 0.00 H new ATOM 1256 N ASN A 80 5.829 -15.753 1.247 1.00 0.00 N ATOM 1257 CA ASN A 80 4.707 -15.452 0.364 1.00 0.00 C ATOM 1258 C ASN A 80 5.216 -15.163 -1.049 1.00 0.00 C ATOM 1259 O ASN A 80 4.580 -15.529 -2.038 1.00 0.00 O ATOM 1260 CB ASN A 80 3.904 -14.278 0.915 1.00 0.00 C ATOM 1261 CG ASN A 80 2.561 -14.123 0.239 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.028 -15.070 -0.334 1.00 0.00 O ATOM 1263 ND2 ASN A 80 1.985 -12.941 0.343 1.00 0.00 N ATOM 0 H ASN A 80 5.975 -15.072 1.993 1.00 0.00 H new ATOM 0 HA ASN A 80 4.046 -16.317 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.754 -14.416 1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.478 -13.360 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.061 -12.786 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.463 -12.181 0.828 1.00 0.00 H new ATOM 1270 N SER A 81 6.376 -14.505 -1.117 1.00 0.00 N ATOM 1271 CA SER A 81 7.183 -14.438 -2.336 1.00 0.00 C ATOM 1272 C SER A 81 6.520 -13.639 -3.462 1.00 0.00 C ATOM 1273 O SER A 81 6.714 -12.424 -3.561 1.00 0.00 O ATOM 1274 CB SER A 81 7.532 -15.857 -2.810 1.00 0.00 C ATOM 1275 OG SER A 81 8.337 -15.839 -3.976 1.00 0.00 O ATOM 0 H SER A 81 6.782 -14.003 -0.327 1.00 0.00 H new ATOM 0 HA SER A 81 8.095 -13.898 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.056 -16.387 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.614 -16.409 -3.011 1.00 0.00 H new ATOM 0 HG SER A 81 8.540 -16.758 -4.247 1.00 0.00 H new ATOM 1281 N SER A 82 5.739 -14.318 -4.298 1.00 0.00 N ATOM 1282 CA SER A 82 5.201 -13.723 -5.513 1.00 0.00 C ATOM 1283 C SER A 82 3.973 -12.865 -5.222 1.00 0.00 C ATOM 1284 O SER A 82 2.862 -13.150 -5.678 1.00 0.00 O ATOM 1285 CB SER A 82 4.868 -14.825 -6.519 1.00 0.00 C ATOM 1286 OG SER A 82 6.010 -15.628 -6.774 1.00 0.00 O ATOM 0 H SER A 82 5.464 -15.289 -4.152 1.00 0.00 H new ATOM 0 HA SER A 82 5.958 -13.065 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.059 -15.445 -6.133 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.513 -14.381 -7.449 1.00 0.00 H new ATOM 0 HG SER A 82 5.779 -16.329 -7.418 1.00 0.00 H new ATOM 1292 N VAL A 83 4.192 -11.808 -4.465 1.00 0.00 N ATOM 1293 CA VAL A 83 3.145 -10.873 -4.122 1.00 0.00 C ATOM 1294 C VAL A 83 3.695 -9.451 -4.173 1.00 0.00 C ATOM 1295 O VAL A 83 4.749 -9.160 -3.606 1.00 0.00 O ATOM 1296 CB VAL A 83 2.567 -11.180 -2.722 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.676 -11.231 -1.683 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.500 -10.163 -2.333 1.00 0.00 C ATOM 0 H VAL A 83 5.104 -11.575 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 83 2.335 -10.971 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 83 2.092 -12.160 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.248 -11.448 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.388 -12.012 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.188 -10.269 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.111 -10.404 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.937 -9.165 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.688 -10.192 -3.059 1.00 0.00 H new ATOM 1308 N GLN A 84 2.995 -8.577 -4.873 1.00 0.00 N ATOM 1309 CA GLN A 84 3.434 -7.203 -5.031 1.00 0.00 C ATOM 1310 C GLN A 84 2.314 -6.248 -4.659 1.00 0.00 C ATOM 1311 O GLN A 84 1.157 -6.459 -5.030 1.00 0.00 O ATOM 1312 CB GLN A 84 3.863 -6.932 -6.478 1.00 0.00 C ATOM 1313 CG GLN A 84 4.883 -7.917 -7.029 1.00 0.00 C ATOM 1314 CD GLN A 84 6.171 -7.957 -6.228 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.576 -6.963 -5.624 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.824 -9.107 -6.223 1.00 0.00 N ATOM 0 H GLN A 84 2.117 -8.796 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 84 4.286 -7.045 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.979 -6.950 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.279 -5.926 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.443 -8.914 -7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.113 -7.652 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.453 -9.906 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.698 -9.195 -5.705 1.00 0.00 H new ATOM 1325 N PHE A 85 2.653 -5.200 -3.932 1.00 0.00 N ATOM 1326 CA PHE A 85 1.691 -4.165 -3.612 1.00 0.00 C ATOM 1327 C PHE A 85 2.097 -2.854 -4.254 1.00 0.00 C ATOM 1328 O PHE A 85 3.199 -2.351 -4.039 1.00 0.00 O ATOM 1329 CB PHE A 85 1.534 -3.986 -2.101 1.00 0.00 C ATOM 1330 CG PHE A 85 0.732 -5.075 -1.448 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.649 -4.987 -1.388 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.353 -6.183 -0.900 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.395 -5.986 -0.792 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.612 -7.185 -0.303 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.763 -7.087 -0.250 1.00 0.00 C ATOM 0 H PHE A 85 3.587 -5.044 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 85 0.726 -4.477 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.522 -3.949 -1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.056 -3.026 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.148 -4.128 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.429 -6.266 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.471 -5.905 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.109 -8.044 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.344 -7.870 0.215 1.00 0.00 H new ATOM 1345 N HIS A 86 1.210 -2.318 -5.061 1.00 0.00 N ATOM 1346 CA HIS A 86 1.449 -1.051 -5.719 1.00 0.00 C ATOM 1347 C HIS A 86 0.816 0.054 -4.913 1.00 0.00 C ATOM 1348 O HIS A 86 -0.405 0.158 -4.863 1.00 0.00 O ATOM 1349 CB HIS A 86 0.852 -1.035 -7.131 1.00 0.00 C ATOM 1350 CG HIS A 86 1.499 -1.973 -8.091 1.00 0.00 C ATOM 1351 ND1 HIS A 86 1.933 -1.585 -9.338 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.758 -3.295 -7.999 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.430 -2.630 -9.970 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.335 -3.683 -9.179 1.00 0.00 N ATOM 0 H HIS A 86 0.309 -2.743 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 86 2.527 -0.905 -5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.208 -1.278 -7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.923 -0.023 -7.529 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.549 -3.930 -7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.845 -2.625 -10.967 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.641 -4.629 -9.409 1.00 0.00 H new ATOM 1363 N VAL A 87 1.621 0.867 -4.267 1.00 0.00 N ATOM 1364 CA VAL A 87 1.079 2.008 -3.576 1.00 0.00 C ATOM 1365 C VAL A 87 1.097 3.197 -4.510 1.00 0.00 C ATOM 1366 O VAL A 87 2.150 3.743 -4.830 1.00 0.00 O ATOM 1367 CB VAL A 87 1.858 2.341 -2.286 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.433 3.693 -1.735 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.640 1.261 -1.242 1.00 0.00 C ATOM 0 H VAL A 87 2.634 0.761 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 87 0.059 1.768 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 87 2.919 2.385 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.994 3.908 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.632 4.467 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.367 3.674 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.196 1.511 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.578 1.191 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.989 0.304 -1.630 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.078 3.586 -4.942 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.228 4.731 -5.799 1.00 0.00 C ATOM 1381 C ILE A 88 -0.660 5.906 -4.960 1.00 0.00 C ATOM 1382 O ILE A 88 -1.463 5.760 -4.043 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.262 4.491 -6.927 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.753 3.452 -7.924 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.594 5.781 -7.655 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -0.943 2.023 -7.476 1.00 0.00 C ATOM 0 H ILE A 88 -0.953 3.117 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 88 0.732 4.925 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.171 4.114 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.266 3.595 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.308 3.627 -8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.322 5.579 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.011 6.500 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.687 6.192 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.556 1.348 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.406 1.860 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.004 1.828 -7.323 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.137 7.060 -5.272 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.504 8.250 -4.571 1.00 0.00 C ATOM 1400 C PHE A 89 -1.504 9.021 -5.409 1.00 0.00 C ATOM 1401 O PHE A 89 -1.181 9.527 -6.485 1.00 0.00 O ATOM 1402 CB PHE A 89 0.732 9.075 -4.254 1.00 0.00 C ATOM 1403 CG PHE A 89 1.555 8.421 -3.197 1.00 0.00 C ATOM 1404 CD1 PHE A 89 1.159 8.484 -1.874 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.693 7.708 -3.523 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.881 7.845 -0.895 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.425 7.074 -2.545 1.00 0.00 C ATOM 1408 CZ PHE A 89 3.013 7.143 -1.231 1.00 0.00 C ATOM 0 H PHE A 89 0.550 7.197 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.972 8.000 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.329 9.204 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.434 10.070 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.273 9.041 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.011 7.648 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.560 7.894 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.318 6.525 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.583 6.643 -0.462 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.729 9.073 -4.920 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.834 9.639 -5.670 1.00 0.00 C ATOM 1420 C ASP A 90 -3.715 11.150 -5.669 1.00 0.00 C ATOM 1421 O ASP A 90 -3.330 11.743 -4.659 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.165 9.212 -5.053 1.00 0.00 C ATOM 1423 CG ASP A 90 -6.340 9.469 -5.972 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -6.625 8.609 -6.833 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.984 10.526 -5.840 1.00 0.00 O ATOM 0 H ASP A 90 -2.985 8.726 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.800 9.274 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.124 8.150 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.316 9.749 -4.117 1.00 0.00 H new ATOM 1430 N GLU A 91 -4.066 11.771 -6.784 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.744 13.169 -6.991 1.00 0.00 C ATOM 1432 C GLU A 91 -4.737 14.032 -6.230 1.00 0.00 C ATOM 1433 O GLU A 91 -5.924 14.093 -6.561 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.777 13.482 -8.494 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.941 14.684 -8.913 1.00 0.00 C ATOM 1436 CD GLU A 91 -3.505 16.003 -8.433 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -4.531 16.447 -8.985 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -2.912 16.611 -7.519 1.00 0.00 O ATOM 0 H GLU A 91 -4.570 11.330 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.743 13.384 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.429 12.606 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.811 13.654 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.929 14.567 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.865 14.704 -10.000 1.00 0.00 H new ATOM 1445 N GLU A 92 -4.215 14.705 -5.218 1.00 0.00 N ATOM 1446 CA GLU A 92 -5.004 15.467 -4.268 1.00 0.00 C ATOM 1447 C GLU A 92 -4.113 16.481 -3.576 1.00 0.00 C ATOM 1448 O GLU A 92 -3.228 16.059 -2.806 1.00 0.00 O ATOM 1449 CB GLU A 92 -5.636 14.536 -3.226 1.00 0.00 C ATOM 1450 CG GLU A 92 -6.965 13.938 -3.653 1.00 0.00 C ATOM 1451 CD GLU A 92 -8.114 14.921 -3.560 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -8.047 15.994 -4.192 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -9.100 14.616 -2.856 1.00 0.00 O ATOM 1454 OXT GLU A 92 -4.293 17.691 -3.811 1.00 0.00 O ATOM 0 H GLU A 92 -3.213 14.737 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.803 15.982 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.939 13.727 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.781 15.091 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.883 13.580 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.184 13.071 -3.029 1.00 0.00 H new TER 1461 GLU A 92