USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -137:sc= -2.28! (180deg=-4.86!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-1.5) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.111 F(o=-2.3,f=-0.11) USER MOD Single : A 25 ASN : amide:sc= -9.67! C(o=-9.7!,f=-20!) USER MOD Single : A 26 SER OG : rot 1:sc= -0.0704 USER MOD Single : A 31 MET CE :methyl -176:sc= -3.31 (180deg=-3.48) USER MOD Single : A 36 ASN :FLIP amide:sc= -6.39! C(o=-12!,f=-6.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 42 CYS SG : rot 100:sc= -1.33 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0487 (180deg=-0.257) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -3.61 (180deg=-4.34!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 59 THR OG1 : rot -3:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.036 (180deg=-0.222) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 77 ASN :FLIP amide:sc= -1.66 F(o=-3.3,f=-1.7) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= -0.0421 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -29.289 3.742 -9.792 1.00 0.00 N ATOM 2 CA GLY A -3 -29.384 4.204 -8.380 1.00 0.00 C ATOM 3 C GLY A -3 -28.780 3.213 -7.403 1.00 0.00 C ATOM 4 O GLY A -3 -29.372 2.914 -6.367 1.00 0.00 O ATOM 0 H1 GLY A -3 -29.715 4.453 -10.419 1.00 0.00 H new ATOM 0 H2 GLY A -3 -28.290 3.609 -10.047 1.00 0.00 H new ATOM 0 H3 GLY A -3 -29.796 2.840 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -28.876 5.163 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -30.431 4.369 -8.125 1.00 0.00 H new ATOM 10 N SER A -2 -27.598 2.704 -7.737 1.00 0.00 N ATOM 11 CA SER A -2 -26.913 1.740 -6.883 1.00 0.00 C ATOM 12 C SER A -2 -25.565 1.348 -7.480 1.00 0.00 C ATOM 13 O SER A -2 -25.449 1.133 -8.686 1.00 0.00 O ATOM 14 CB SER A -2 -27.778 0.493 -6.686 1.00 0.00 C ATOM 15 OG SER A -2 -28.052 -0.138 -7.925 1.00 0.00 O ATOM 0 H SER A -2 -27.095 2.943 -8.592 1.00 0.00 H new ATOM 0 HA SER A -2 -26.740 2.209 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A -2 -27.268 -0.206 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A -2 -28.714 0.769 -6.200 1.00 0.00 H new ATOM 0 HG SER A -2 -28.605 -0.933 -7.772 1.00 0.00 H new ATOM 21 N HIS A -1 -24.549 1.254 -6.628 1.00 0.00 N ATOM 22 CA HIS A -1 -23.211 0.885 -7.073 1.00 0.00 C ATOM 23 C HIS A -1 -22.276 0.685 -5.883 1.00 0.00 C ATOM 24 O HIS A -1 -22.160 1.552 -5.018 1.00 0.00 O ATOM 25 CB HIS A -1 -22.647 1.960 -8.004 1.00 0.00 C ATOM 26 CG HIS A -1 -22.558 3.313 -7.370 1.00 0.00 C ATOM 27 ND1 HIS A -1 -23.656 3.988 -6.880 1.00 0.00 N ATOM 28 CD2 HIS A -1 -21.493 4.120 -7.147 1.00 0.00 C ATOM 29 CE1 HIS A -1 -23.270 5.151 -6.383 1.00 0.00 C ATOM 30 NE2 HIS A -1 -21.963 5.253 -6.533 1.00 0.00 N ATOM 0 H HIS A -1 -24.627 1.428 -5.626 1.00 0.00 H new ATOM 0 HA HIS A -1 -23.283 -0.057 -7.617 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -21.654 1.657 -8.336 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -23.274 2.025 -8.893 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -20.465 3.910 -7.405 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -23.914 5.891 -5.932 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -21.394 6.047 -6.240 1.00 0.00 H new ATOM 39 N MET A 1 -21.611 -0.465 -5.853 1.00 0.00 N ATOM 40 CA MET A 1 -20.684 -0.789 -4.774 1.00 0.00 C ATOM 41 C MET A 1 -19.383 -0.004 -4.921 1.00 0.00 C ATOM 42 O MET A 1 -18.974 0.338 -6.030 1.00 0.00 O ATOM 43 CB MET A 1 -20.393 -2.291 -4.759 1.00 0.00 C ATOM 44 CG MET A 1 -19.582 -2.743 -3.554 1.00 0.00 C ATOM 45 SD MET A 1 -19.212 -4.507 -3.589 1.00 0.00 S ATOM 46 CE MET A 1 -18.274 -4.685 -2.073 1.00 0.00 C ATOM 0 H MET A 1 -21.697 -1.190 -6.565 1.00 0.00 H new ATOM 0 HA MET A 1 -21.150 -0.508 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.337 -2.836 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.855 -2.557 -5.669 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.649 -2.181 -3.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.132 -2.509 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.972 -5.725 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.387 -4.052 -2.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.891 -4.386 -1.226 1.00 0.00 H new ATOM 56 N LYS A 2 -18.738 0.280 -3.793 1.00 0.00 N ATOM 57 CA LYS A 2 -17.480 1.027 -3.791 1.00 0.00 C ATOM 58 C LYS A 2 -16.468 0.420 -4.761 1.00 0.00 C ATOM 59 O LYS A 2 -15.552 1.106 -5.217 1.00 0.00 O ATOM 60 CB LYS A 2 -16.878 1.061 -2.384 1.00 0.00 C ATOM 61 CG LYS A 2 -15.594 1.873 -2.301 1.00 0.00 C ATOM 62 CD LYS A 2 -15.002 1.881 -0.896 1.00 0.00 C ATOM 63 CE LYS A 2 -14.349 0.551 -0.539 1.00 0.00 C ATOM 64 NZ LYS A 2 -15.346 -0.542 -0.370 1.00 0.00 N ATOM 0 H LYS A 2 -19.065 0.005 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.705 2.043 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.610 1.479 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.677 0.041 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.863 1.464 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.794 2.898 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.263 2.679 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.787 2.104 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.641 0.276 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.779 0.665 0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.102 -1.108 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.293 -0.132 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.340 -1.151 -1.213 1.00 0.00 H new ATOM 78 N MET A 3 -16.630 -0.869 -5.056 1.00 0.00 N ATOM 79 CA MET A 3 -15.725 -1.583 -5.959 1.00 0.00 C ATOM 80 C MET A 3 -15.274 -0.704 -7.122 1.00 0.00 C ATOM 81 O MET A 3 -16.088 -0.058 -7.784 1.00 0.00 O ATOM 82 CB MET A 3 -16.406 -2.843 -6.497 1.00 0.00 C ATOM 83 CG MET A 3 -15.528 -3.656 -7.435 1.00 0.00 C ATOM 84 SD MET A 3 -16.356 -5.135 -8.053 1.00 0.00 S ATOM 85 CE MET A 3 -15.078 -5.826 -9.102 1.00 0.00 C ATOM 0 H MET A 3 -17.384 -1.444 -4.681 1.00 0.00 H new ATOM 0 HA MET A 3 -14.840 -1.860 -5.386 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.705 -3.471 -5.658 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.317 -2.557 -7.022 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.229 -3.033 -8.278 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.616 -3.946 -6.913 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.440 -6.748 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.823 -5.111 -9.884 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.193 -6.040 -8.504 1.00 0.00 H new ATOM 95 N GLY A 4 -13.968 -0.687 -7.356 1.00 0.00 N ATOM 96 CA GLY A 4 -13.405 0.108 -8.430 1.00 0.00 C ATOM 97 C GLY A 4 -11.902 -0.051 -8.515 1.00 0.00 C ATOM 98 O GLY A 4 -11.391 -1.170 -8.478 1.00 0.00 O ATOM 0 H GLY A 4 -13.283 -1.215 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.856 -0.188 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.652 1.158 -8.273 1.00 0.00 H new ATOM 102 N VAL A 5 -11.186 1.063 -8.618 1.00 0.00 N ATOM 103 CA VAL A 5 -9.733 1.017 -8.697 1.00 0.00 C ATOM 104 C VAL A 5 -9.126 0.657 -7.350 1.00 0.00 C ATOM 105 O VAL A 5 -7.930 0.481 -7.250 1.00 0.00 O ATOM 106 CB VAL A 5 -9.109 2.341 -9.184 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.930 3.313 -8.030 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.778 2.127 -9.884 1.00 0.00 C ATOM 0 H VAL A 5 -11.585 2.001 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.504 0.247 -9.433 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.804 2.765 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.488 4.239 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.900 3.527 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.273 2.871 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.379 3.088 -10.208 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.076 1.656 -9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.922 1.483 -10.751 1.00 0.00 H new ATOM 118 N LYS A 6 -9.938 0.562 -6.299 1.00 0.00 N ATOM 119 CA LYS A 6 -9.390 0.232 -4.989 1.00 0.00 C ATOM 120 C LYS A 6 -8.418 -0.930 -5.146 1.00 0.00 C ATOM 121 O LYS A 6 -7.263 -0.852 -4.729 1.00 0.00 O ATOM 122 CB LYS A 6 -10.516 -0.138 -4.016 1.00 0.00 C ATOM 123 CG LYS A 6 -10.031 -0.739 -2.706 1.00 0.00 C ATOM 124 CD LYS A 6 -11.193 -1.091 -1.792 1.00 0.00 C ATOM 125 CE LYS A 6 -10.712 -1.732 -0.501 1.00 0.00 C ATOM 126 NZ LYS A 6 -11.845 -2.080 0.401 1.00 0.00 N ATOM 0 H LYS A 6 -10.948 0.704 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.866 1.096 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.102 0.755 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.185 -0.847 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.443 -1.634 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.371 -0.032 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.762 -0.190 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.869 -1.773 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.142 -2.632 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.035 -1.050 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.476 -2.515 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.374 -1.218 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.478 -2.751 -0.080 1.00 0.00 H new ATOM 140 N GLU A 7 -8.883 -1.980 -5.801 1.00 0.00 N ATOM 141 CA GLU A 7 -8.053 -3.140 -6.073 1.00 0.00 C ATOM 142 C GLU A 7 -7.102 -2.868 -7.247 1.00 0.00 C ATOM 143 O GLU A 7 -6.034 -3.461 -7.324 1.00 0.00 O ATOM 144 CB GLU A 7 -8.934 -4.363 -6.360 1.00 0.00 C ATOM 145 CG GLU A 7 -8.163 -5.663 -6.547 1.00 0.00 C ATOM 146 CD GLU A 7 -7.394 -5.716 -7.853 1.00 0.00 C ATOM 147 OE1 GLU A 7 -8.029 -5.592 -8.922 1.00 0.00 O ATOM 148 OE2 GLU A 7 -6.156 -5.878 -7.808 1.00 0.00 O ATOM 0 H GLU A 7 -9.837 -2.052 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.446 -3.346 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.640 -4.488 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.521 -4.170 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.467 -5.788 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.860 -6.500 -6.508 1.00 0.00 H new ATOM 155 N ASP A 8 -7.508 -1.989 -8.176 1.00 0.00 N ATOM 156 CA ASP A 8 -6.680 -1.679 -9.351 1.00 0.00 C ATOM 157 C ASP A 8 -5.374 -0.970 -8.962 1.00 0.00 C ATOM 158 O ASP A 8 -4.281 -1.425 -9.312 1.00 0.00 O ATOM 159 CB ASP A 8 -7.479 -0.844 -10.346 1.00 0.00 C ATOM 160 CG ASP A 8 -6.642 -0.353 -11.514 1.00 0.00 C ATOM 161 OD1 ASP A 8 -5.675 0.401 -11.275 1.00 0.00 O ATOM 162 OD2 ASP A 8 -6.954 -0.720 -12.667 1.00 0.00 O ATOM 0 H ASP A 8 -8.394 -1.486 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.401 -2.621 -9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.310 -1.438 -10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.910 0.013 -9.829 1.00 0.00 H new ATOM 167 N ILE A 9 -5.490 0.110 -8.200 1.00 0.00 N ATOM 168 CA ILE A 9 -4.333 0.846 -7.719 1.00 0.00 C ATOM 169 C ILE A 9 -3.558 -0.050 -6.772 1.00 0.00 C ATOM 170 O ILE A 9 -2.332 -0.135 -6.836 1.00 0.00 O ATOM 171 CB ILE A 9 -4.754 2.160 -7.010 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.050 3.246 -8.045 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.684 2.634 -6.033 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.515 4.552 -7.436 1.00 0.00 C ATOM 0 H ILE A 9 -6.385 0.497 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.706 1.128 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.659 1.958 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.152 3.429 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.814 2.883 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.012 3.557 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.520 1.869 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.754 2.815 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.706 5.275 -8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.431 4.384 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.743 4.938 -6.771 1.00 0.00 H new ATOM 186 N ARG A 10 -4.296 -0.757 -5.922 1.00 0.00 N ATOM 187 CA ARG A 10 -3.690 -1.693 -4.995 1.00 0.00 C ATOM 188 C ARG A 10 -2.948 -2.752 -5.793 1.00 0.00 C ATOM 189 O ARG A 10 -1.978 -3.342 -5.320 1.00 0.00 O ATOM 190 CB ARG A 10 -4.757 -2.353 -4.119 1.00 0.00 C ATOM 191 CG ARG A 10 -4.218 -2.848 -2.796 1.00 0.00 C ATOM 192 CD ARG A 10 -3.845 -1.681 -1.910 1.00 0.00 C ATOM 193 NE ARG A 10 -2.482 -1.785 -1.398 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.895 -0.850 -0.652 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.496 0.313 -0.442 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.691 -1.063 -0.140 1.00 0.00 N ATOM 0 H ARG A 10 -5.312 -0.696 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.999 -1.160 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.558 -1.638 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.196 -3.190 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.966 -3.466 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.345 -3.479 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.949 -0.753 -2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.541 -1.626 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.947 -2.623 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.412 0.495 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.042 1.026 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.210 -1.945 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.245 -0.345 0.431 1.00 0.00 H new ATOM 210 N GLY A 11 -3.404 -2.964 -7.027 1.00 0.00 N ATOM 211 CA GLY A 11 -2.759 -3.927 -7.894 1.00 0.00 C ATOM 212 C GLY A 11 -1.363 -3.465 -8.206 1.00 0.00 C ATOM 213 O GLY A 11 -0.401 -4.229 -8.124 1.00 0.00 O ATOM 0 H GLY A 11 -4.206 -2.486 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.731 -4.904 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.330 -4.042 -8.815 1.00 0.00 H new ATOM 217 N GLN A 12 -1.260 -2.182 -8.519 1.00 0.00 N ATOM 218 CA GLN A 12 0.020 -1.561 -8.799 1.00 0.00 C ATOM 219 C GLN A 12 0.892 -1.614 -7.547 1.00 0.00 C ATOM 220 O GLN A 12 2.120 -1.626 -7.626 1.00 0.00 O ATOM 221 CB GLN A 12 -0.186 -0.106 -9.230 1.00 0.00 C ATOM 222 CG GLN A 12 -1.067 0.050 -10.459 1.00 0.00 C ATOM 223 CD GLN A 12 -1.198 1.490 -10.942 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.521 2.426 -10.278 1.00 0.00 O flip ATOM 225 NE2 GLN A 12 -1.905 1.759 -11.913 1.00 0.00 N flip ATOM 0 H GLN A 12 -2.057 -1.548 -8.585 1.00 0.00 H new ATOM 0 HA GLN A 12 0.513 -2.100 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.630 0.449 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.786 0.345 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.660 -0.559 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.060 -0.340 -10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.409 1.017 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.986 2.724 -12.233 1.00 0.00 H new ATOM 234 N ILE A 13 0.231 -1.640 -6.389 1.00 0.00 N ATOM 235 CA ILE A 13 0.911 -1.686 -5.102 1.00 0.00 C ATOM 236 C ILE A 13 1.482 -3.072 -4.814 1.00 0.00 C ATOM 237 O ILE A 13 2.639 -3.197 -4.422 1.00 0.00 O ATOM 238 CB ILE A 13 -0.043 -1.262 -3.966 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.466 0.196 -4.167 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.609 -1.456 -2.602 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.403 0.711 -3.099 1.00 0.00 C ATOM 0 H ILE A 13 -0.787 -1.630 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 13 1.742 -0.983 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.930 -1.895 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.425 0.823 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.949 0.294 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.085 -1.149 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.866 -2.507 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.514 -0.851 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.658 1.750 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.311 0.109 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.916 0.647 -2.126 1.00 0.00 H new ATOM 253 N ILE A 14 0.676 -4.113 -5.018 1.00 0.00 N ATOM 254 CA ILE A 14 1.136 -5.478 -4.782 1.00 0.00 C ATOM 255 C ILE A 14 2.388 -5.763 -5.609 1.00 0.00 C ATOM 256 O ILE A 14 3.415 -6.183 -5.073 1.00 0.00 O ATOM 257 CB ILE A 14 0.028 -6.512 -5.102 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.924 -6.652 -3.910 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.622 -7.869 -5.465 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.238 -7.118 -2.645 1.00 0.00 C ATOM 0 H ILE A 14 -0.288 -4.038 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 14 1.381 -5.572 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.531 -6.150 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.403 -5.691 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.715 -7.357 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.182 -8.571 -5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.261 -7.764 -6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.213 -8.243 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.970 -7.195 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.217 -8.093 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.534 -6.401 -2.365 1.00 0.00 H new ATOM 272 N GLY A 15 2.309 -5.500 -6.909 1.00 0.00 N ATOM 273 CA GLY A 15 3.458 -5.703 -7.769 1.00 0.00 C ATOM 274 C GLY A 15 4.594 -4.789 -7.367 1.00 0.00 C ATOM 275 O GLY A 15 5.764 -5.172 -7.402 1.00 0.00 O ATOM 0 H GLY A 15 1.474 -5.152 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.783 -6.742 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.181 -5.513 -8.806 1.00 0.00 H new ATOM 279 N ALA A 16 4.229 -3.577 -6.965 1.00 0.00 N ATOM 280 CA ALA A 16 5.192 -2.577 -6.526 1.00 0.00 C ATOM 281 C ALA A 16 5.946 -3.056 -5.288 1.00 0.00 C ATOM 282 O ALA A 16 7.086 -2.661 -5.047 1.00 0.00 O ATOM 283 CB ALA A 16 4.475 -1.264 -6.238 1.00 0.00 C ATOM 0 H ALA A 16 3.259 -3.262 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 16 5.919 -2.419 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.199 -0.518 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.979 -0.914 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.733 -1.419 -5.455 1.00 0.00 H new ATOM 289 N LEU A 17 5.296 -3.918 -4.512 1.00 0.00 N ATOM 290 CA LEU A 17 5.880 -4.471 -3.300 1.00 0.00 C ATOM 291 C LEU A 17 6.817 -5.615 -3.642 1.00 0.00 C ATOM 292 O LEU A 17 7.790 -5.875 -2.936 1.00 0.00 O ATOM 293 CB LEU A 17 4.769 -4.959 -2.366 1.00 0.00 C ATOM 294 CG LEU A 17 3.971 -3.852 -1.667 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.646 -4.390 -1.148 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.782 -3.254 -0.525 1.00 0.00 C ATOM 0 H LEU A 17 4.352 -4.251 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 17 6.453 -3.693 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.078 -5.576 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.212 -5.601 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 17 3.762 -3.069 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.096 -3.588 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.058 -4.775 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.834 -5.193 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.202 -2.470 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.019 -4.033 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.707 -2.831 -0.918 1.00 0.00 H new ATOM 308 N ALA A 18 6.512 -6.294 -4.741 1.00 0.00 N ATOM 309 CA ALA A 18 7.324 -7.417 -5.195 1.00 0.00 C ATOM 310 C ALA A 18 8.781 -6.999 -5.369 1.00 0.00 C ATOM 311 O ALA A 18 9.070 -5.956 -5.956 1.00 0.00 O ATOM 312 CB ALA A 18 6.773 -7.975 -6.499 1.00 0.00 C ATOM 0 H ALA A 18 5.709 -6.087 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 18 7.283 -8.197 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.389 -8.813 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.749 -8.316 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.785 -7.197 -7.262 1.00 0.00 H new ATOM 318 N GLY A 19 9.695 -7.813 -4.851 1.00 0.00 N ATOM 319 CA GLY A 19 11.109 -7.500 -4.956 1.00 0.00 C ATOM 320 C GLY A 19 11.742 -7.219 -3.607 1.00 0.00 C ATOM 321 O GLY A 19 12.910 -7.537 -3.384 1.00 0.00 O ATOM 0 H GLY A 19 9.483 -8.682 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.628 -8.332 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.239 -6.632 -5.603 1.00 0.00 H new ATOM 325 N ALA A 20 10.971 -6.617 -2.705 1.00 0.00 N ATOM 326 CA ALA A 20 11.459 -6.287 -1.367 1.00 0.00 C ATOM 327 C ALA A 20 12.091 -7.495 -0.695 1.00 0.00 C ATOM 328 O ALA A 20 12.136 -8.583 -1.267 1.00 0.00 O ATOM 329 CB ALA A 20 10.315 -5.767 -0.509 1.00 0.00 C ATOM 0 H ALA A 20 10.003 -6.347 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 20 12.221 -5.515 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.688 -5.524 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.894 -4.872 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.543 -6.532 -0.430 1.00 0.00 H new ATOM 335 N ASP A 21 12.546 -7.300 0.539 1.00 0.00 N ATOM 336 CA ASP A 21 13.136 -8.380 1.319 1.00 0.00 C ATOM 337 C ASP A 21 12.078 -9.467 1.504 1.00 0.00 C ATOM 338 O ASP A 21 11.546 -9.973 0.517 1.00 0.00 O ATOM 339 CB ASP A 21 13.635 -7.830 2.656 1.00 0.00 C ATOM 340 CG ASP A 21 14.933 -7.058 2.516 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.470 -6.997 1.389 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.417 -6.520 3.534 1.00 0.00 O ATOM 0 H ASP A 21 12.517 -6.401 1.020 1.00 0.00 H new ATOM 0 HA ASP A 21 13.995 -8.814 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.873 -7.179 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.780 -8.655 3.354 1.00 0.00 H new ATOM 347 N PHE A 22 11.711 -9.801 2.742 1.00 0.00 N ATOM 348 CA PHE A 22 10.655 -10.782 2.935 1.00 0.00 C ATOM 349 C PHE A 22 9.413 -10.227 2.253 1.00 0.00 C ATOM 350 O PHE A 22 9.467 -9.130 1.699 1.00 0.00 O ATOM 351 CB PHE A 22 10.419 -11.075 4.439 1.00 0.00 C ATOM 352 CG PHE A 22 9.612 -10.042 5.200 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.379 -9.600 4.738 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.088 -9.525 6.394 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.648 -8.666 5.432 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.355 -8.590 7.099 1.00 0.00 C ATOM 357 CZ PHE A 22 8.137 -8.159 6.614 1.00 0.00 C ATOM 0 H PHE A 22 12.116 -9.419 3.597 1.00 0.00 H new ATOM 0 HA PHE A 22 10.928 -11.741 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.914 -12.037 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.389 -11.179 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.987 -9.999 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.042 -9.856 6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.694 -8.331 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.735 -8.196 8.030 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.567 -7.423 7.162 1.00 0.00 H new ATOM 367 N PRO A 23 8.279 -10.928 2.268 1.00 0.00 N ATOM 368 CA PRO A 23 7.074 -10.409 1.632 1.00 0.00 C ATOM 369 C PRO A 23 6.546 -9.143 2.325 1.00 0.00 C ATOM 370 O PRO A 23 5.437 -9.155 2.854 1.00 0.00 O ATOM 371 CB PRO A 23 6.079 -11.563 1.755 1.00 0.00 C ATOM 372 CG PRO A 23 6.552 -12.340 2.931 1.00 0.00 C ATOM 373 CD PRO A 23 8.051 -12.245 2.898 1.00 0.00 C ATOM 0 HA PRO A 23 7.253 -10.103 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.063 -11.197 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.068 -12.175 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.153 -11.930 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.223 -13.378 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.482 -12.296 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.495 -13.054 2.318 1.00 0.00 H new ATOM 381 N ILE A 24 7.351 -8.051 2.290 1.00 0.00 N ATOM 382 CA ILE A 24 6.983 -6.740 2.872 1.00 0.00 C ATOM 383 C ILE A 24 7.753 -6.359 4.148 1.00 0.00 C ATOM 384 O ILE A 24 7.152 -6.141 5.200 1.00 0.00 O ATOM 385 CB ILE A 24 5.471 -6.639 3.137 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.712 -6.824 1.824 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.124 -5.306 3.776 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.204 -5.915 0.728 1.00 0.00 C ATOM 0 H ILE A 24 8.274 -8.057 1.856 1.00 0.00 H new ATOM 0 HA ILE A 24 7.277 -6.021 2.107 1.00 0.00 H new ATOM 0 HB ILE A 24 5.178 -7.426 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.806 -7.860 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.652 -6.638 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.050 -5.257 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.654 -5.208 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.419 -4.495 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.626 -6.093 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.085 -4.876 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.257 -6.117 0.533 1.00 0.00 H new ATOM 400 N ASN A 25 9.073 -6.246 4.040 1.00 0.00 N ATOM 401 CA ASN A 25 9.920 -5.859 5.179 1.00 0.00 C ATOM 402 C ASN A 25 9.594 -4.463 5.689 1.00 0.00 C ATOM 403 O ASN A 25 10.418 -3.555 5.581 1.00 0.00 O ATOM 404 CB ASN A 25 11.384 -5.890 4.775 1.00 0.00 C ATOM 405 CG ASN A 25 12.039 -7.216 5.081 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.609 -8.261 4.604 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.092 -7.172 5.890 1.00 0.00 N ATOM 0 H ASN A 25 9.587 -6.416 3.176 1.00 0.00 H new ATOM 0 HA ASN A 25 9.723 -6.576 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.468 -5.684 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.918 -5.095 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.580 -8.032 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.412 -6.278 6.262 1.00 0.00 H new ATOM 414 N SER A 26 8.401 -4.277 6.234 1.00 0.00 N ATOM 415 CA SER A 26 8.009 -2.970 6.732 1.00 0.00 C ATOM 416 C SER A 26 8.102 -1.956 5.601 1.00 0.00 C ATOM 417 O SER A 26 8.851 -2.149 4.644 1.00 0.00 O ATOM 418 CB SER A 26 8.897 -2.534 7.901 1.00 0.00 C ATOM 419 OG SER A 26 10.203 -2.204 7.464 1.00 0.00 O ATOM 0 H SER A 26 7.696 -5.006 6.341 1.00 0.00 H new ATOM 0 HA SER A 26 6.983 -3.028 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.450 -1.673 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.950 -3.335 8.638 1.00 0.00 H new ATOM 0 HG SER A 26 10.261 -2.317 6.492 1.00 0.00 H new ATOM 425 N PRO A 27 7.335 -0.873 5.667 1.00 0.00 N ATOM 426 CA PRO A 27 7.353 0.130 4.616 1.00 0.00 C ATOM 427 C PRO A 27 8.760 0.558 4.239 1.00 0.00 C ATOM 428 O PRO A 27 9.023 0.864 3.086 1.00 0.00 O ATOM 429 CB PRO A 27 6.546 1.287 5.202 1.00 0.00 C ATOM 430 CG PRO A 27 5.638 0.642 6.196 1.00 0.00 C ATOM 431 CD PRO A 27 6.383 -0.548 6.739 1.00 0.00 C ATOM 0 HA PRO A 27 6.934 -0.249 3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.195 2.024 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.982 1.809 4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.380 1.337 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.703 0.335 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.894 -0.310 7.672 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.712 -1.381 6.947 1.00 0.00 H new ATOM 439 N GLU A 28 9.669 0.560 5.195 1.00 0.00 N ATOM 440 CA GLU A 28 11.044 0.942 4.906 1.00 0.00 C ATOM 441 C GLU A 28 11.591 0.122 3.736 1.00 0.00 C ATOM 442 O GLU A 28 12.030 0.666 2.719 1.00 0.00 O ATOM 443 CB GLU A 28 11.920 0.720 6.141 1.00 0.00 C ATOM 444 CG GLU A 28 11.414 1.438 7.382 1.00 0.00 C ATOM 445 CD GLU A 28 12.295 1.200 8.592 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.494 1.547 8.531 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.788 0.665 9.600 1.00 0.00 O ATOM 0 H GLU A 28 9.488 0.306 6.166 1.00 0.00 H new ATOM 0 HA GLU A 28 11.060 1.998 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.978 -0.349 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.933 1.058 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.360 2.508 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.401 1.103 7.603 1.00 0.00 H new ATOM 454 N GLU A 29 11.562 -1.194 3.896 1.00 0.00 N ATOM 455 CA GLU A 29 12.061 -2.105 2.881 1.00 0.00 C ATOM 456 C GLU A 29 11.117 -2.263 1.703 1.00 0.00 C ATOM 457 O GLU A 29 11.506 -2.040 0.563 1.00 0.00 O ATOM 458 CB GLU A 29 12.243 -3.458 3.488 1.00 0.00 C ATOM 459 CG GLU A 29 12.976 -4.416 2.569 1.00 0.00 C ATOM 460 CD GLU A 29 14.371 -3.935 2.209 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.808 -2.911 2.773 1.00 0.00 O ATOM 462 OE2 GLU A 29 15.021 -4.576 1.357 1.00 0.00 O ATOM 0 H GLU A 29 11.194 -1.656 4.728 1.00 0.00 H new ATOM 0 HA GLU A 29 12.997 -1.681 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.796 -3.362 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.267 -3.875 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.046 -5.392 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.396 -4.551 1.656 1.00 0.00 H new ATOM 469 N LEU A 30 9.884 -2.685 1.975 1.00 0.00 N ATOM 470 CA LEU A 30 8.913 -2.897 0.910 1.00 0.00 C ATOM 471 C LEU A 30 8.870 -1.661 0.019 1.00 0.00 C ATOM 472 O LEU A 30 8.891 -1.761 -1.213 1.00 0.00 O ATOM 473 CB LEU A 30 7.532 -3.189 1.507 1.00 0.00 C ATOM 474 CG LEU A 30 6.843 -1.985 2.147 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.130 -1.148 1.099 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.869 -2.422 3.227 1.00 0.00 C ATOM 0 H LEU A 30 9.538 -2.884 2.914 1.00 0.00 H new ATOM 0 HA LEU A 30 9.208 -3.757 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.888 -3.583 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.635 -3.973 2.258 1.00 0.00 H new ATOM 0 HG LEU A 30 7.615 -1.371 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.647 -0.297 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.853 -0.789 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.377 -1.756 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.394 -1.544 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.107 -3.068 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.406 -2.968 4.002 1.00 0.00 H new ATOM 488 N MET A 31 8.876 -0.491 0.651 1.00 0.00 N ATOM 489 CA MET A 31 8.899 0.759 -0.085 1.00 0.00 C ATOM 490 C MET A 31 10.225 0.864 -0.820 1.00 0.00 C ATOM 491 O MET A 31 10.302 1.438 -1.906 1.00 0.00 O ATOM 492 CB MET A 31 8.723 1.956 0.848 1.00 0.00 C ATOM 493 CG MET A 31 8.538 3.276 0.124 1.00 0.00 C ATOM 494 SD MET A 31 8.466 4.678 1.257 1.00 0.00 S ATOM 495 CE MET A 31 7.110 4.186 2.320 1.00 0.00 C ATOM 0 H MET A 31 8.865 -0.387 1.666 1.00 0.00 H new ATOM 0 HA MET A 31 8.071 0.769 -0.794 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.860 1.780 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.594 2.028 1.499 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.360 3.421 -0.577 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.621 3.240 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.896 4.985 3.030 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.225 3.993 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.383 3.281 2.863 1.00 0.00 H new ATOM 505 N ALA A 32 11.276 0.286 -0.224 1.00 0.00 N ATOM 506 CA ALA A 32 12.593 0.307 -0.843 1.00 0.00 C ATOM 507 C ALA A 32 12.595 -0.534 -2.116 1.00 0.00 C ATOM 508 O ALA A 32 13.334 -0.254 -3.061 1.00 0.00 O ATOM 509 CB ALA A 32 13.647 -0.196 0.133 1.00 0.00 C ATOM 0 H ALA A 32 11.235 -0.194 0.675 1.00 0.00 H new ATOM 0 HA ALA A 32 12.835 1.336 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.626 -0.174 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.660 0.443 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.411 -1.218 0.429 1.00 0.00 H new ATOM 515 N ALA A 33 11.769 -1.576 -2.121 1.00 0.00 N ATOM 516 CA ALA A 33 11.666 -2.481 -3.255 1.00 0.00 C ATOM 517 C ALA A 33 11.010 -1.823 -4.461 1.00 0.00 C ATOM 518 O ALA A 33 11.411 -2.071 -5.599 1.00 0.00 O ATOM 519 CB ALA A 33 10.883 -3.714 -2.855 1.00 0.00 C ATOM 0 H ALA A 33 11.156 -1.814 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 33 12.679 -2.758 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.808 -4.390 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.394 -4.219 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.883 -3.422 -2.534 1.00 0.00 H new ATOM 525 N LEU A 34 9.986 -1.005 -4.209 1.00 0.00 N ATOM 526 CA LEU A 34 9.251 -0.328 -5.287 1.00 0.00 C ATOM 527 C LEU A 34 10.148 -0.051 -6.504 1.00 0.00 C ATOM 528 O LEU A 34 11.313 0.324 -6.362 1.00 0.00 O ATOM 529 CB LEU A 34 8.591 0.955 -4.772 1.00 0.00 C ATOM 530 CG LEU A 34 7.247 0.735 -4.061 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.390 -0.291 -2.953 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.707 2.038 -3.497 1.00 0.00 C ATOM 0 H LEU A 34 9.645 -0.794 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 34 8.462 -1.001 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.276 1.450 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.437 1.633 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 34 6.538 0.360 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.427 -0.433 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.725 -1.238 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.121 0.060 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.755 1.852 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.418 2.446 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.560 2.752 -4.307 1.00 0.00 H new ATOM 544 N PRO A 35 9.613 -0.291 -7.718 1.00 0.00 N ATOM 545 CA PRO A 35 10.350 -0.136 -8.985 1.00 0.00 C ATOM 546 C PRO A 35 11.126 1.173 -9.147 1.00 0.00 C ATOM 547 O PRO A 35 12.292 1.154 -9.539 1.00 0.00 O ATOM 548 CB PRO A 35 9.244 -0.211 -10.036 1.00 0.00 C ATOM 549 CG PRO A 35 8.201 -1.077 -9.423 1.00 0.00 C ATOM 550 CD PRO A 35 8.241 -0.794 -7.948 1.00 0.00 C ATOM 0 HA PRO A 35 11.128 -0.896 -9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.851 0.779 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.613 -0.635 -10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.217 -0.855 -9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.401 -2.130 -9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.492 -0.055 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.042 -1.692 -7.364 1.00 0.00 H new ATOM 558 N ASN A 36 10.479 2.306 -8.900 1.00 0.00 N ATOM 559 CA ASN A 36 11.139 3.599 -9.091 1.00 0.00 C ATOM 560 C ASN A 36 12.195 3.896 -8.023 1.00 0.00 C ATOM 561 O ASN A 36 13.124 4.664 -8.270 1.00 0.00 O ATOM 562 CB ASN A 36 10.112 4.743 -9.132 1.00 0.00 C ATOM 563 CG ASN A 36 9.531 5.110 -7.773 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.530 4.172 -6.833 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 9.047 6.225 -7.584 1.00 0.00 N flip ATOM 0 H ASN A 36 9.515 2.360 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 36 11.652 3.533 -10.050 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.585 5.626 -9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.297 4.461 -9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.065 6.922 -8.329 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.628 6.453 -6.683 1.00 0.00 H new ATOM 572 N GLY A 37 12.050 3.307 -6.842 1.00 0.00 N ATOM 573 CA GLY A 37 12.996 3.558 -5.770 1.00 0.00 C ATOM 574 C GLY A 37 12.433 4.500 -4.712 1.00 0.00 C ATOM 575 O GLY A 37 12.231 4.088 -3.570 1.00 0.00 O ATOM 0 H GLY A 37 11.296 2.661 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.271 2.613 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.908 3.986 -6.186 1.00 0.00 H new ATOM 579 N PRO A 38 12.158 5.778 -5.058 1.00 0.00 N ATOM 580 CA PRO A 38 11.609 6.749 -4.114 1.00 0.00 C ATOM 581 C PRO A 38 10.095 6.622 -3.962 1.00 0.00 C ATOM 582 O PRO A 38 9.363 7.602 -4.103 1.00 0.00 O ATOM 583 CB PRO A 38 11.981 8.087 -4.742 1.00 0.00 C ATOM 584 CG PRO A 38 11.975 7.828 -6.209 1.00 0.00 C ATOM 585 CD PRO A 38 12.357 6.376 -6.393 1.00 0.00 C ATOM 0 HA PRO A 38 12.000 6.612 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.265 8.864 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.960 8.425 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.991 8.027 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.681 8.482 -6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.732 5.892 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.390 6.275 -6.725 1.00 0.00 H new ATOM 593 N ASP A 39 9.640 5.406 -3.674 1.00 0.00 N ATOM 594 CA ASP A 39 8.234 5.108 -3.488 1.00 0.00 C ATOM 595 C ASP A 39 7.376 5.588 -4.654 1.00 0.00 C ATOM 596 O ASP A 39 6.923 6.731 -4.692 1.00 0.00 O ATOM 597 CB ASP A 39 7.736 5.673 -2.157 1.00 0.00 C ATOM 598 CG ASP A 39 7.911 7.175 -2.018 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.261 7.926 -2.772 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.702 7.599 -1.149 1.00 0.00 O ATOM 0 H ASP A 39 10.248 4.595 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 39 8.134 4.023 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.680 5.429 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.267 5.179 -1.343 1.00 0.00 H new ATOM 605 N THR A 40 7.152 4.686 -5.602 1.00 0.00 N ATOM 606 CA THR A 40 6.340 4.985 -6.774 1.00 0.00 C ATOM 607 C THR A 40 4.879 5.143 -6.376 1.00 0.00 C ATOM 608 O THR A 40 4.310 4.275 -5.715 1.00 0.00 O ATOM 609 CB THR A 40 6.456 3.879 -7.840 1.00 0.00 C ATOM 610 OG1 THR A 40 5.604 4.177 -8.952 1.00 0.00 O ATOM 611 CG2 THR A 40 6.084 2.519 -7.262 1.00 0.00 C ATOM 0 H THR A 40 7.524 3.736 -5.581 1.00 0.00 H new ATOM 0 HA THR A 40 6.712 5.917 -7.199 1.00 0.00 H new ATOM 0 HB THR A 40 7.493 3.841 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.685 3.470 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.175 1.757 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.754 2.279 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.057 2.547 -6.899 1.00 0.00 H new ATOM 619 N THR A 41 4.277 6.257 -6.771 1.00 0.00 N ATOM 620 CA THR A 41 2.885 6.519 -6.438 1.00 0.00 C ATOM 621 C THR A 41 1.938 5.864 -7.438 1.00 0.00 C ATOM 622 O THR A 41 2.038 6.095 -8.644 1.00 0.00 O ATOM 623 CB THR A 41 2.593 8.029 -6.396 1.00 0.00 C ATOM 624 OG1 THR A 41 3.623 8.710 -5.668 1.00 0.00 O ATOM 625 CG2 THR A 41 1.250 8.291 -5.736 1.00 0.00 C ATOM 0 H THR A 41 4.728 6.989 -7.319 1.00 0.00 H new ATOM 0 HA THR A 41 2.717 6.090 -5.450 1.00 0.00 H new ATOM 0 HB THR A 41 2.566 8.403 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.429 9.670 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.058 9.364 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.463 7.793 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.264 7.904 -4.717 1.00 0.00 H new ATOM 633 N CYS A 42 1.005 5.063 -6.930 1.00 0.00 N ATOM 634 CA CYS A 42 0.026 4.394 -7.779 1.00 0.00 C ATOM 635 C CYS A 42 -1.233 5.249 -7.902 1.00 0.00 C ATOM 636 O CYS A 42 -2.351 4.753 -7.768 1.00 0.00 O ATOM 637 CB CYS A 42 -0.325 3.014 -7.213 1.00 0.00 C ATOM 638 SG CYS A 42 1.100 1.920 -7.005 1.00 0.00 S ATOM 0 H CYS A 42 0.907 4.862 -5.935 1.00 0.00 H new ATOM 0 HA CYS A 42 0.461 4.260 -8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.815 3.142 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.045 2.534 -7.875 1.00 0.00 H new ATOM 0 HG CYS A 42 1.473 1.926 -5.760 1.00 0.00 H new ATOM 644 N LYS A 43 -1.036 6.541 -8.149 1.00 0.00 N ATOM 645 CA LYS A 43 -2.144 7.478 -8.280 1.00 0.00 C ATOM 646 C LYS A 43 -2.845 7.314 -9.624 1.00 0.00 C ATOM 647 O LYS A 43 -2.211 7.013 -10.636 1.00 0.00 O ATOM 648 CB LYS A 43 -1.640 8.915 -8.124 1.00 0.00 C ATOM 649 CG LYS A 43 -0.594 9.309 -9.155 1.00 0.00 C ATOM 650 CD LYS A 43 -0.131 10.744 -8.955 1.00 0.00 C ATOM 651 CE LYS A 43 0.915 11.139 -9.986 1.00 0.00 C ATOM 652 NZ LYS A 43 0.393 11.033 -11.377 1.00 0.00 N ATOM 0 H LYS A 43 -0.114 6.963 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.865 7.263 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.486 9.598 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.218 9.037 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.261 8.636 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.007 9.195 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.986 11.417 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.283 10.858 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.242 12.162 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.791 10.500 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.028 11.541 -12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.344 10.032 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.558 11.452 -11.424 1.00 0.00 H new ATOM 666 N SER A 44 -4.160 7.510 -9.625 1.00 0.00 N ATOM 667 CA SER A 44 -4.952 7.380 -10.841 1.00 0.00 C ATOM 668 C SER A 44 -5.979 8.503 -10.944 1.00 0.00 C ATOM 669 O SER A 44 -6.749 8.738 -10.013 1.00 0.00 O ATOM 670 CB SER A 44 -5.666 6.028 -10.859 1.00 0.00 C ATOM 671 OG SER A 44 -4.736 4.959 -10.820 1.00 0.00 O ATOM 0 H SER A 44 -4.699 7.760 -8.796 1.00 0.00 H new ATOM 0 HA SER A 44 -4.278 7.446 -11.695 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.341 5.958 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.278 5.949 -11.757 1.00 0.00 H new ATOM 0 HG SER A 44 -5.218 4.106 -10.831 1.00 0.00 H new ATOM 677 N GLY A 45 -5.987 9.194 -12.081 1.00 0.00 N ATOM 678 CA GLY A 45 -6.924 10.286 -12.288 1.00 0.00 C ATOM 679 C GLY A 45 -6.614 11.505 -11.435 1.00 0.00 C ATOM 680 O GLY A 45 -6.525 12.620 -11.948 1.00 0.00 O ATOM 0 H GLY A 45 -5.359 9.017 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.912 10.573 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.933 9.939 -12.063 1.00 0.00 H new ATOM 684 N ASP A 46 -6.450 11.294 -10.132 1.00 0.00 N ATOM 685 CA ASP A 46 -6.152 12.382 -9.209 1.00 0.00 C ATOM 686 C ASP A 46 -5.764 11.829 -7.841 1.00 0.00 C ATOM 687 O ASP A 46 -4.841 12.325 -7.196 1.00 0.00 O ATOM 688 CB ASP A 46 -7.358 13.314 -9.076 1.00 0.00 C ATOM 689 CG ASP A 46 -7.090 14.481 -8.144 1.00 0.00 C ATOM 690 OD1 ASP A 46 -6.164 15.267 -8.429 1.00 0.00 O ATOM 691 OD2 ASP A 46 -7.809 14.608 -7.130 1.00 0.00 O ATOM 0 H ASP A 46 -6.519 10.376 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.312 12.951 -9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.630 13.694 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.212 12.747 -8.707 1.00 0.00 H new ATOM 696 N VAL A 47 -6.477 10.793 -7.408 1.00 0.00 N ATOM 697 CA VAL A 47 -6.212 10.164 -6.121 1.00 0.00 C ATOM 698 C VAL A 47 -4.851 9.474 -6.126 1.00 0.00 C ATOM 699 O VAL A 47 -4.504 8.776 -7.080 1.00 0.00 O ATOM 700 CB VAL A 47 -7.298 9.127 -5.775 1.00 0.00 C ATOM 701 CG1 VAL A 47 -7.088 8.574 -4.374 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.683 9.741 -5.912 1.00 0.00 C ATOM 0 H VAL A 47 -7.244 10.372 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.218 10.952 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.219 8.299 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.866 7.844 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.111 8.093 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.136 9.388 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.438 8.995 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.774 10.589 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.831 10.080 -6.937 1.00 0.00 H new ATOM 712 N GLU A 48 -4.078 9.675 -5.062 1.00 0.00 N ATOM 713 CA GLU A 48 -2.754 9.069 -4.960 1.00 0.00 C ATOM 714 C GLU A 48 -2.676 8.121 -3.768 1.00 0.00 C ATOM 715 O GLU A 48 -3.138 8.446 -2.674 1.00 0.00 O ATOM 716 CB GLU A 48 -1.683 10.152 -4.822 1.00 0.00 C ATOM 717 CG GLU A 48 -1.858 11.315 -5.786 1.00 0.00 C ATOM 718 CD GLU A 48 -0.785 12.373 -5.623 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.676 12.941 -4.515 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.054 12.633 -6.601 1.00 0.00 O ATOM 0 H GLU A 48 -4.344 10.250 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.577 8.499 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.695 10.534 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.703 9.703 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.841 10.940 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.837 11.768 -5.629 1.00 0.00 H new ATOM 727 N LEU A 49 -2.086 6.948 -3.985 1.00 0.00 N ATOM 728 CA LEU A 49 -1.944 5.954 -2.925 1.00 0.00 C ATOM 729 C LEU A 49 -0.595 5.247 -3.010 1.00 0.00 C ATOM 730 O LEU A 49 -0.210 4.740 -4.065 1.00 0.00 O ATOM 731 CB LEU A 49 -3.063 4.910 -2.995 1.00 0.00 C ATOM 732 CG LEU A 49 -4.472 5.413 -2.667 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.499 6.082 -1.300 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.975 6.360 -3.746 1.00 0.00 C ATOM 0 H LEU A 49 -1.699 6.663 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.009 6.486 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.075 4.486 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.819 4.099 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.142 4.553 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.509 6.432 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.195 5.365 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.813 6.929 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.977 6.703 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.305 7.217 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.003 5.839 -4.703 1.00 0.00 H new ATOM 746 N LYS A 50 0.110 5.210 -1.887 1.00 0.00 N ATOM 747 CA LYS A 50 1.410 4.557 -1.813 1.00 0.00 C ATOM 748 C LYS A 50 1.858 4.417 -0.364 1.00 0.00 C ATOM 749 O LYS A 50 1.388 5.135 0.515 1.00 0.00 O ATOM 750 CB LYS A 50 2.455 5.323 -2.623 1.00 0.00 C ATOM 751 CG LYS A 50 2.575 6.787 -2.242 1.00 0.00 C ATOM 752 CD LYS A 50 3.654 7.478 -3.056 1.00 0.00 C ATOM 753 CE LYS A 50 3.629 8.983 -2.848 1.00 0.00 C ATOM 754 NZ LYS A 50 3.925 9.358 -1.438 1.00 0.00 N ATOM 0 H LYS A 50 -0.199 5.628 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 50 1.311 3.561 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.425 4.843 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.204 5.252 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.619 7.287 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.806 6.872 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.631 7.087 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.514 7.253 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.358 9.452 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.650 9.371 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.622 10.338 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.413 8.721 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.947 9.277 -1.264 1.00 0.00 H new ATOM 768 N ALA A 51 2.757 3.473 -0.124 1.00 0.00 N ATOM 769 CA ALA A 51 3.264 3.209 1.220 1.00 0.00 C ATOM 770 C ALA A 51 3.679 4.491 1.941 1.00 0.00 C ATOM 771 O ALA A 51 3.485 4.625 3.147 1.00 0.00 O ATOM 772 CB ALA A 51 4.436 2.241 1.152 1.00 0.00 C ATOM 0 H ALA A 51 3.154 2.872 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 51 2.454 2.762 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.808 2.049 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.108 1.304 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.232 2.675 0.547 1.00 0.00 H new ATOM 778 N SER A 52 4.261 5.427 1.210 1.00 0.00 N ATOM 779 CA SER A 52 4.705 6.679 1.809 1.00 0.00 C ATOM 780 C SER A 52 3.531 7.494 2.361 1.00 0.00 C ATOM 781 O SER A 52 3.550 7.907 3.521 1.00 0.00 O ATOM 782 CB SER A 52 5.491 7.499 0.791 1.00 0.00 C ATOM 783 OG SER A 52 5.878 8.752 1.330 1.00 0.00 O ATOM 0 H SER A 52 4.437 5.347 0.208 1.00 0.00 H new ATOM 0 HA SER A 52 5.355 6.433 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.377 6.945 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.884 7.656 -0.100 1.00 0.00 H new ATOM 0 HG SER A 52 6.381 9.256 0.657 1.00 0.00 H new ATOM 789 N ASP A 53 2.516 7.732 1.532 1.00 0.00 N ATOM 790 CA ASP A 53 1.352 8.507 1.958 1.00 0.00 C ATOM 791 C ASP A 53 0.465 7.730 2.930 1.00 0.00 C ATOM 792 O ASP A 53 0.089 8.243 3.983 1.00 0.00 O ATOM 793 CB ASP A 53 0.519 8.936 0.749 1.00 0.00 C ATOM 794 CG ASP A 53 1.269 9.875 -0.173 1.00 0.00 C ATOM 795 OD1 ASP A 53 1.741 10.927 0.306 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.376 9.563 -1.376 1.00 0.00 O ATOM 0 H ASP A 53 2.476 7.402 0.568 1.00 0.00 H new ATOM 0 HA ASP A 53 1.734 9.387 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.214 8.051 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.392 9.424 1.095 1.00 0.00 H new ATOM 801 N ALA A 54 0.108 6.505 2.557 1.00 0.00 N ATOM 802 CA ALA A 54 -0.763 5.675 3.384 1.00 0.00 C ATOM 803 C ALA A 54 0.015 4.776 4.344 1.00 0.00 C ATOM 804 O ALA A 54 -0.318 4.690 5.525 1.00 0.00 O ATOM 805 CB ALA A 54 -1.668 4.836 2.497 1.00 0.00 C ATOM 0 H ALA A 54 0.408 6.064 1.687 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.363 6.347 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.316 4.218 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.278 5.492 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.060 4.195 1.859 1.00 0.00 H new ATOM 811 N GLY A 55 1.039 4.095 3.832 1.00 0.00 N ATOM 812 CA GLY A 55 1.830 3.197 4.666 1.00 0.00 C ATOM 813 C GLY A 55 2.192 3.800 6.012 1.00 0.00 C ATOM 814 O GLY A 55 2.345 3.081 7.000 1.00 0.00 O ATOM 0 H GLY A 55 1.336 4.147 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.273 2.274 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.744 2.930 4.136 1.00 0.00 H new ATOM 818 N GLN A 56 2.322 5.124 6.053 1.00 0.00 N ATOM 819 CA GLN A 56 2.659 5.831 7.289 1.00 0.00 C ATOM 820 C GLN A 56 1.827 5.320 8.460 1.00 0.00 C ATOM 821 O GLN A 56 2.271 5.333 9.609 1.00 0.00 O ATOM 822 CB GLN A 56 2.421 7.330 7.118 1.00 0.00 C ATOM 823 CG GLN A 56 1.019 7.670 6.644 1.00 0.00 C ATOM 824 CD GLN A 56 0.814 9.160 6.453 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.503 9.796 5.655 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.137 9.726 7.188 1.00 0.00 N ATOM 0 H GLN A 56 2.199 5.731 5.243 1.00 0.00 H new ATOM 0 HA GLN A 56 3.712 5.647 7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.606 7.830 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.143 7.726 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.823 7.156 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.294 7.297 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.684 9.161 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.320 10.726 7.103 1.00 0.00 H new ATOM 835 N VAL A 57 0.612 4.883 8.156 1.00 0.00 N ATOM 836 CA VAL A 57 -0.308 4.376 9.167 1.00 0.00 C ATOM 837 C VAL A 57 0.066 2.973 9.655 1.00 0.00 C ATOM 838 O VAL A 57 -0.800 2.210 10.084 1.00 0.00 O ATOM 839 CB VAL A 57 -1.747 4.364 8.622 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.180 5.782 8.274 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.852 3.452 7.407 1.00 0.00 C ATOM 0 H VAL A 57 0.237 4.870 7.207 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.238 5.050 10.021 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.413 3.975 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.200 5.767 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.139 6.405 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.512 6.191 7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.877 3.457 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.181 3.809 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.573 2.437 7.689 1.00 0.00 H new ATOM 851 N LEU A 58 1.354 2.639 9.600 1.00 0.00 N ATOM 852 CA LEU A 58 1.826 1.334 10.050 1.00 0.00 C ATOM 853 C LEU A 58 3.043 1.504 10.960 1.00 0.00 C ATOM 854 O LEU A 58 4.085 1.999 10.534 1.00 0.00 O ATOM 855 CB LEU A 58 2.183 0.460 8.845 1.00 0.00 C ATOM 856 CG LEU A 58 1.096 0.368 7.768 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.607 -0.387 6.551 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.156 -0.295 8.326 1.00 0.00 C ATOM 0 H LEU A 58 2.088 3.254 9.248 1.00 0.00 H new ATOM 0 HA LEU A 58 1.032 0.845 10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.093 0.850 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.409 -0.546 9.199 1.00 0.00 H new ATOM 0 HG LEU A 58 0.837 1.380 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.820 -0.441 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.470 0.133 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.898 -1.396 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.916 -0.351 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.087 -1.301 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.536 0.292 9.162 1.00 0.00 H new ATOM 870 N THR A 59 2.894 1.101 12.220 1.00 0.00 N ATOM 871 CA THR A 59 3.971 1.221 13.201 1.00 0.00 C ATOM 872 C THR A 59 5.081 0.202 12.957 1.00 0.00 C ATOM 873 O THR A 59 4.855 -0.848 12.355 1.00 0.00 O ATOM 874 CB THR A 59 3.441 1.051 14.637 1.00 0.00 C ATOM 875 OG1 THR A 59 2.836 -0.238 14.790 1.00 0.00 O ATOM 876 CG2 THR A 59 2.427 2.135 14.971 1.00 0.00 C ATOM 0 H THR A 59 2.036 0.688 12.586 1.00 0.00 H new ATOM 0 HA THR A 59 4.383 2.223 13.083 1.00 0.00 H new ATOM 0 HB THR A 59 4.284 1.138 15.323 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.848 -0.709 13.931 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.067 1.995 15.990 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.899 3.114 14.885 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.588 2.074 14.278 1.00 0.00 H new ATOM 884 N ALA A 60 6.283 0.522 13.439 1.00 0.00 N ATOM 885 CA ALA A 60 7.438 -0.361 13.287 1.00 0.00 C ATOM 886 C ALA A 60 7.085 -1.794 13.670 1.00 0.00 C ATOM 887 O ALA A 60 7.543 -2.746 13.039 1.00 0.00 O ATOM 888 CB ALA A 60 8.600 0.142 14.130 1.00 0.00 C ATOM 0 H ALA A 60 6.481 1.389 13.939 1.00 0.00 H new ATOM 0 HA ALA A 60 7.735 -0.355 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.454 -0.525 14.008 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.875 1.146 13.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.305 0.165 15.179 1.00 0.00 H new ATOM 894 N ASP A 61 6.253 -1.941 14.700 1.00 0.00 N ATOM 895 CA ASP A 61 5.824 -3.260 15.154 1.00 0.00 C ATOM 896 C ASP A 61 5.299 -4.077 13.977 1.00 0.00 C ATOM 897 O ASP A 61 5.392 -5.303 13.962 1.00 0.00 O ATOM 898 CB ASP A 61 4.741 -3.129 16.225 1.00 0.00 C ATOM 899 CG ASP A 61 5.221 -2.360 17.440 1.00 0.00 C ATOM 900 OD1 ASP A 61 6.197 -2.808 18.079 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.623 -1.309 17.754 1.00 0.00 O ATOM 0 H ASP A 61 5.864 -1.164 15.234 1.00 0.00 H new ATOM 0 HA ASP A 61 6.683 -3.774 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.872 -2.626 15.800 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.416 -4.123 16.532 1.00 0.00 H new ATOM 906 N ASP A 62 4.758 -3.372 12.986 1.00 0.00 N ATOM 907 CA ASP A 62 4.223 -4.001 11.783 1.00 0.00 C ATOM 908 C ASP A 62 5.339 -4.538 10.886 1.00 0.00 C ATOM 909 O ASP A 62 5.072 -5.016 9.784 1.00 0.00 O ATOM 910 CB ASP A 62 3.393 -2.991 10.991 1.00 0.00 C ATOM 911 CG ASP A 62 2.281 -2.377 11.818 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.588 -1.745 12.849 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.102 -2.529 11.433 1.00 0.00 O ATOM 0 H ASP A 62 4.679 -2.355 12.994 1.00 0.00 H new ATOM 0 HA ASP A 62 3.599 -4.837 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.045 -2.200 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.963 -3.483 10.119 1.00 0.00 H new ATOM 918 N PHE A 63 6.589 -4.430 11.345 1.00 0.00 N ATOM 919 CA PHE A 63 7.739 -4.879 10.565 1.00 0.00 C ATOM 920 C PHE A 63 7.440 -6.179 9.821 1.00 0.00 C ATOM 921 O PHE A 63 7.641 -6.260 8.613 1.00 0.00 O ATOM 922 CB PHE A 63 8.959 -5.071 11.467 1.00 0.00 C ATOM 923 CG PHE A 63 10.254 -4.707 10.805 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.544 -3.388 10.494 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.179 -5.688 10.483 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.734 -3.054 9.877 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.371 -5.360 9.867 1.00 0.00 C ATOM 928 CZ PHE A 63 12.659 -4.026 9.593 1.00 0.00 C ATOM 0 H PHE A 63 6.828 -4.035 12.254 1.00 0.00 H new ATOM 0 HA PHE A 63 7.954 -4.105 9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.836 -4.466 12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.004 -6.112 11.788 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.832 -2.613 10.737 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.965 -6.721 10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.936 -2.025 9.618 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.075 -6.134 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.610 -3.757 9.157 1.00 0.00 H new ATOM 938 N PRO A 64 6.945 -7.209 10.529 1.00 0.00 N ATOM 939 CA PRO A 64 6.610 -8.497 9.928 1.00 0.00 C ATOM 940 C PRO A 64 5.183 -8.524 9.389 1.00 0.00 C ATOM 941 O PRO A 64 4.279 -9.062 10.028 1.00 0.00 O ATOM 942 CB PRO A 64 6.761 -9.454 11.104 1.00 0.00 C ATOM 943 CG PRO A 64 6.354 -8.651 12.296 1.00 0.00 C ATOM 944 CD PRO A 64 6.660 -7.204 11.978 1.00 0.00 C ATOM 0 HA PRO A 64 7.237 -8.741 9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.129 -10.334 10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.787 -9.810 11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.293 -8.784 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.898 -8.975 13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.817 -6.556 12.217 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.513 -6.841 12.551 1.00 0.00 H new ATOM 952 N PHE A 65 4.986 -7.935 8.216 1.00 0.00 N ATOM 953 CA PHE A 65 3.666 -7.885 7.601 1.00 0.00 C ATOM 954 C PHE A 65 3.295 -9.222 6.967 1.00 0.00 C ATOM 955 O PHE A 65 4.131 -9.887 6.357 1.00 0.00 O ATOM 956 CB PHE A 65 3.611 -6.787 6.539 1.00 0.00 C ATOM 957 CG PHE A 65 2.742 -5.621 6.921 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.381 -5.672 6.689 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.275 -4.486 7.512 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.561 -4.619 7.031 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.458 -3.426 7.861 1.00 0.00 C ATOM 962 CZ PHE A 65 1.099 -3.493 7.620 1.00 0.00 C ATOM 0 H PHE A 65 5.723 -7.486 7.672 1.00 0.00 H new ATOM 0 HA PHE A 65 2.947 -7.664 8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.622 -6.428 6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.242 -7.214 5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.953 -6.552 6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.337 -4.429 7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.500 -4.675 6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.882 -2.546 8.322 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.460 -2.666 7.892 1.00 0.00 H new ATOM 972 N LYS A 66 2.028 -9.599 7.114 1.00 0.00 N ATOM 973 CA LYS A 66 1.521 -10.846 6.555 1.00 0.00 C ATOM 974 C LYS A 66 1.535 -10.800 5.030 1.00 0.00 C ATOM 975 O LYS A 66 0.486 -10.739 4.380 1.00 0.00 O ATOM 976 CB LYS A 66 0.105 -11.126 7.051 1.00 0.00 C ATOM 977 CG LYS A 66 -0.418 -12.497 6.652 1.00 0.00 C ATOM 978 CD LYS A 66 0.450 -13.611 7.216 1.00 0.00 C ATOM 979 CE LYS A 66 -0.077 -14.981 6.823 1.00 0.00 C ATOM 980 NZ LYS A 66 -0.113 -15.161 5.345 1.00 0.00 N ATOM 0 H LYS A 66 1.330 -9.053 7.620 1.00 0.00 H new ATOM 0 HA LYS A 66 2.175 -11.651 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.086 -11.041 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.566 -10.362 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.441 -12.615 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.449 -12.573 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.472 -13.496 6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.485 -13.532 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.552 -15.753 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.080 -15.114 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.247 -16.168 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.900 -14.610 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.783 -14.831 4.933 1.00 0.00 H new ATOM 994 N SER A 67 2.734 -10.825 4.471 1.00 0.00 N ATOM 995 CA SER A 67 2.910 -10.793 3.030 1.00 0.00 C ATOM 996 C SER A 67 2.275 -9.552 2.409 1.00 0.00 C ATOM 997 O SER A 67 1.434 -8.888 3.018 1.00 0.00 O ATOM 998 CB SER A 67 2.334 -12.059 2.397 1.00 0.00 C ATOM 999 OG SER A 67 2.926 -13.220 2.952 1.00 0.00 O ATOM 0 H SER A 67 3.606 -10.868 4.999 1.00 0.00 H new ATOM 0 HA SER A 67 3.981 -10.749 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.255 -12.088 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.502 -12.040 1.320 1.00 0.00 H new ATOM 0 HG SER A 67 2.540 -14.017 2.532 1.00 0.00 H new ATOM 1005 N ALA A 68 2.699 -9.245 1.186 1.00 0.00 N ATOM 1006 CA ALA A 68 2.202 -8.087 0.453 1.00 0.00 C ATOM 1007 C ALA A 68 0.681 -8.055 0.404 1.00 0.00 C ATOM 1008 O ALA A 68 0.076 -6.985 0.347 1.00 0.00 O ATOM 1009 CB ALA A 68 2.781 -8.084 -0.954 1.00 0.00 C ATOM 0 H ALA A 68 3.395 -9.791 0.678 1.00 0.00 H new ATOM 0 HA ALA A 68 2.525 -7.190 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.408 -7.217 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.869 -8.038 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.482 -8.995 -1.472 1.00 0.00 H new ATOM 1015 N GLU A 69 0.065 -9.227 0.423 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.386 -9.317 0.375 1.00 0.00 C ATOM 1017 C GLU A 69 -2.038 -8.547 1.524 1.00 0.00 C ATOM 1018 O GLU A 69 -2.979 -7.779 1.300 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.830 -10.778 0.402 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.290 -11.545 1.584 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.655 -13.016 1.546 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.271 -13.698 0.573 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.325 -13.486 2.490 1.00 0.00 O ATOM 0 H GLU A 69 0.545 -10.126 0.471 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.713 -8.861 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.919 -10.819 0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.506 -11.266 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.205 -11.445 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.674 -11.104 2.504 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.555 -8.738 2.759 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.147 -8.033 3.886 1.00 0.00 C ATOM 1032 C GLU A 70 -1.765 -6.562 3.861 1.00 0.00 C ATOM 1033 O GLU A 70 -2.575 -5.700 4.182 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.793 -8.688 5.233 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.706 -7.980 6.028 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.793 -8.264 7.517 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.717 -8.996 7.930 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.061 -7.750 8.269 1.00 0.00 O ATOM 0 H GLU A 70 -0.779 -9.357 2.992 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.230 -8.103 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.695 -8.737 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.476 -9.715 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.271 -8.292 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.781 -6.905 5.862 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.534 -6.278 3.473 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.062 -4.901 3.398 1.00 0.00 C ATOM 1047 C VAL A 71 -0.906 -4.096 2.422 1.00 0.00 C ATOM 1048 O VAL A 71 -1.141 -2.906 2.622 1.00 0.00 O ATOM 1049 CB VAL A 71 1.407 -4.846 2.970 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.924 -3.414 2.993 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.235 -5.741 3.872 1.00 0.00 C ATOM 0 H VAL A 71 0.157 -6.978 3.205 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.154 -4.467 4.393 1.00 0.00 H new ATOM 0 HB VAL A 71 1.492 -5.208 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.970 -3.400 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.336 -2.804 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.837 -3.012 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.280 -5.700 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.146 -5.400 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.875 -6.767 3.796 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.356 -4.753 1.362 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.168 -4.094 0.353 1.00 0.00 C ATOM 1063 C ALA A 72 -3.547 -3.726 0.898 1.00 0.00 C ATOM 1064 O ALA A 72 -3.955 -2.566 0.851 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.305 -4.980 -0.875 1.00 0.00 C ATOM 0 H ALA A 72 -1.172 -5.740 1.180 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.664 -3.170 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.916 -4.474 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.317 -5.182 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.780 -5.920 -0.594 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.265 -4.724 1.407 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.606 -4.508 1.952 1.00 0.00 C ATOM 1073 C ASP A 73 -5.569 -3.638 3.208 1.00 0.00 C ATOM 1074 O ASP A 73 -6.480 -2.849 3.459 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.269 -5.850 2.272 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.411 -6.733 1.047 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.991 -6.302 -0.047 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.942 -7.856 1.182 1.00 0.00 O ATOM 0 H ASP A 73 -3.942 -5.690 1.454 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.190 -3.985 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.680 -6.372 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.254 -5.672 2.704 1.00 0.00 H new ATOM 1083 N THR A 74 -4.520 -3.803 3.998 1.00 0.00 N ATOM 1084 CA THR A 74 -4.355 -3.054 5.239 1.00 0.00 C ATOM 1085 C THR A 74 -4.242 -1.551 4.987 1.00 0.00 C ATOM 1086 O THR A 74 -4.928 -0.754 5.627 1.00 0.00 O ATOM 1087 CB THR A 74 -3.103 -3.539 6.002 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.267 -4.910 6.384 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.841 -2.698 7.242 1.00 0.00 C ATOM 0 H THR A 74 -3.761 -4.456 3.801 1.00 0.00 H new ATOM 0 HA THR A 74 -5.246 -3.234 5.841 1.00 0.00 H new ATOM 0 HB THR A 74 -2.248 -3.437 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.276 -5.474 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.952 -3.069 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.685 -1.659 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.698 -2.762 7.913 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.365 -1.168 4.066 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.156 0.241 3.752 1.00 0.00 C ATOM 1099 C ILE A 75 -4.410 0.885 3.158 1.00 0.00 C ATOM 1100 O ILE A 75 -4.850 1.930 3.633 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.952 0.424 2.804 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.679 -0.082 3.488 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.793 1.884 2.405 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.560 0.013 2.624 1.00 0.00 C ATOM 0 H ILE A 75 -2.788 -1.812 3.524 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.938 0.750 4.691 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.129 -0.155 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.518 0.490 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.825 -1.121 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.938 1.988 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.695 2.222 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.632 2.489 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.420 -0.364 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.421 -0.582 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.733 1.054 2.350 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.993 0.267 2.132 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.203 0.816 1.514 1.00 0.00 C ATOM 1118 C VAL A 76 -7.280 1.094 2.560 1.00 0.00 C ATOM 1119 O VAL A 76 -7.994 2.093 2.478 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.795 -0.107 0.420 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -6.131 0.153 -0.923 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.664 -1.576 0.804 1.00 0.00 C ATOM 0 H VAL A 76 -4.655 -0.600 1.715 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.894 1.748 1.041 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.857 0.124 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.563 -0.506 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.293 1.191 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.061 -0.039 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.089 -2.197 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.611 -1.825 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.198 -1.757 1.737 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.390 0.206 3.542 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.380 0.357 4.604 1.00 0.00 C ATOM 1134 C ASN A 77 -8.161 1.648 5.387 1.00 0.00 C ATOM 1135 O ASN A 77 -9.067 2.469 5.522 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.316 -0.839 5.560 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.677 -2.167 4.905 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -9.061 -2.144 3.629 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -8.618 -3.215 5.551 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.806 -0.626 3.625 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.364 0.400 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.310 -0.909 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.992 -0.661 6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.320 -3.197 6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.867 -4.100 5.110 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.952 1.812 5.910 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.600 2.991 6.694 1.00 0.00 C ATOM 1148 C LYS A 78 -6.469 4.234 5.821 1.00 0.00 C ATOM 1149 O LYS A 78 -6.846 5.334 6.227 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.286 2.743 7.427 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.362 1.605 8.433 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.037 1.395 9.147 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.159 0.359 10.253 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.611 -0.960 9.730 1.00 0.00 N ATOM 0 H LYS A 78 -6.193 1.138 5.805 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.403 3.168 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.507 2.522 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.989 3.656 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.140 1.819 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.649 0.686 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.282 1.075 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.696 2.340 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.195 0.242 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.864 0.712 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.599 -1.124 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.540 -0.965 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.010 -1.713 10.122 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.907 4.057 4.634 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.694 5.171 3.714 1.00 0.00 C ATOM 1170 C ALA A 79 -7.006 5.754 3.194 1.00 0.00 C ATOM 1171 O ALA A 79 -7.079 6.946 2.898 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.824 4.726 2.548 1.00 0.00 C ATOM 0 H ALA A 79 -5.589 3.154 4.283 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.187 5.959 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.671 5.564 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.860 4.383 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.317 3.912 2.016 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.042 4.926 3.083 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.317 5.424 2.599 1.00 0.00 C ATOM 1180 C GLY A 80 -10.173 4.359 1.951 1.00 0.00 C ATOM 1181 O GLY A 80 -11.326 4.156 2.330 1.00 0.00 O ATOM 0 H GLY A 80 -8.023 3.933 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.866 5.864 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.137 6.222 1.879 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.607 3.698 0.956 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.310 2.661 0.218 1.00 0.00 C ATOM 1187 C LEU A 81 -10.631 1.467 1.112 1.00 0.00 C ATOM 1188 O LEU A 81 -11.802 1.339 1.528 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.456 2.224 -0.968 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.885 3.376 -1.799 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.760 2.881 -2.693 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.979 4.021 -2.637 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.711 0.671 1.389 1.00 0.00 O ATOM 0 H LEU A 81 -8.652 3.863 0.638 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.256 3.065 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.631 1.615 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.057 1.588 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.482 4.125 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.366 3.713 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.965 2.460 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.141 2.114 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.556 4.838 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.408 3.278 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.758 4.410 -1.981 1.00 0.00 H new TER 1205 LEU A 81