USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 754 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 82 MET CE :methyl 166:sc= -0.94 (180deg=-0.91) USER MOD Set 1.2: A 96 MET CE :methyl 157:sc= -1.66 (180deg=-1.16) USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 0.962 USER MOD Set 2.2: A 90 CYS SG : rot -4:sc= 1.06 USER MOD Set 3.1: A 75 ASN : amide:sc= 0.494 K(o=1.2,f=-2.7) USER MOD Set 3.2: A 78 SER OG : rot -162:sc= 0.663 USER MOD Set 4.1: A 32 THR OG1 : rot 179:sc= 0.647 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0.187 F(o=-1.5!,f=0.19) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.772 K(o=0.77,f=-6.1!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -149:sc= -0.878 (180deg=-1.91) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00341 USER MOD Single : A 52 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 56 SER OG : rot 61:sc= 1.21 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.223 F(o=-1,f=-0.22) USER MOD Single : A 65 THR OG1 : rot 133:sc= 1.85 USER MOD Single : A 68 GLN : amide:sc= 0.106 K(o=0.11,f=-2.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -137:sc= -0.545 (180deg=-1.42) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.511 K(o=0.51,f=-3.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.24) USER MOD Single : A 101 THR OG1 : rot -73:sc= 0.0443 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.181 F(o=-1,f=-0.18) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 109 GLN : amide:sc= 0.336 X(o=0.34,f=-0.0077) USER MOD Single : A 112 ASN :FLIP amide:sc= 0.125 F(o=-2.8!,f=0.13) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 120 MET CE :methyl 174:sc= -0.0811 (180deg=-0.112) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -6.048 -11.409 -13.374 1.00 0.00 N ATOM 2 CA GLY A 25 -7.358 -12.036 -13.124 1.00 0.00 C ATOM 3 C GLY A 25 -7.598 -12.187 -11.634 1.00 0.00 C ATOM 4 O GLY A 25 -7.381 -11.229 -10.900 1.00 0.00 O ATOM 0 HA2 GLY A 25 -8.148 -11.430 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.398 -13.013 -13.606 1.00 0.00 H new ATOM 8 N GLN A 26 -8.071 -13.348 -11.167 1.00 0.00 N ATOM 9 CA GLN A 26 -8.463 -13.537 -9.775 1.00 0.00 C ATOM 10 C GLN A 26 -8.075 -14.936 -9.304 1.00 0.00 C ATOM 11 O GLN A 26 -8.391 -15.923 -9.971 1.00 0.00 O ATOM 12 CB GLN A 26 -9.976 -13.290 -9.628 1.00 0.00 C ATOM 13 CG GLN A 26 -10.346 -12.594 -8.314 1.00 0.00 C ATOM 14 CD GLN A 26 -9.985 -13.381 -7.058 1.00 0.00 C ATOM 15 OE1 GLN A 26 -8.892 -13.063 -6.384 1.00 0.00 O flip ATOM 16 NE2 GLN A 26 -10.692 -14.296 -6.646 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.191 -14.179 -11.746 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.937 -12.820 -9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.322 -12.682 -10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.501 -14.243 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.846 -11.626 -8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.419 -12.400 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.538 -14.555 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.433 -14.798 -5.796 1.00 0.00 H new ATOM 25 N GLU A 27 -7.372 -15.022 -8.173 1.00 0.00 N ATOM 26 CA GLU A 27 -6.764 -16.256 -7.686 1.00 0.00 C ATOM 27 C GLU A 27 -6.328 -16.182 -6.217 1.00 0.00 C ATOM 28 O GLU A 27 -5.467 -16.951 -5.788 1.00 0.00 O ATOM 29 CB GLU A 27 -5.609 -16.650 -8.618 1.00 0.00 C ATOM 30 CG GLU A 27 -4.675 -15.504 -9.045 1.00 0.00 C ATOM 31 CD GLU A 27 -3.734 -16.044 -10.112 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.560 -16.329 -9.778 1.00 0.00 O ATOM 33 OE2 GLU A 27 -4.223 -16.322 -11.233 1.00 0.00 O ATOM 0 H GLU A 27 -7.208 -14.222 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.524 -17.037 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.012 -17.415 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.029 -17.105 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.252 -14.665 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.110 -15.133 -8.190 1.00 0.00 H new ATOM 41 N LEU A 28 -6.924 -15.276 -5.437 1.00 0.00 N ATOM 42 CA LEU A 28 -6.916 -15.341 -3.976 1.00 0.00 C ATOM 43 C LEU A 28 -8.218 -14.752 -3.421 1.00 0.00 C ATOM 44 O LEU A 28 -8.510 -13.595 -3.727 1.00 0.00 O ATOM 45 CB LEU A 28 -5.718 -14.584 -3.376 1.00 0.00 C ATOM 46 CG LEU A 28 -4.358 -15.305 -3.354 1.00 0.00 C ATOM 47 CD1 LEU A 28 -3.343 -14.408 -2.634 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.409 -16.647 -2.614 1.00 0.00 C ATOM 0 H LEU A 28 -7.429 -14.471 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.829 -16.390 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.596 -13.654 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.971 -14.313 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.077 -15.501 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.373 -14.904 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.253 -13.461 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.681 -14.221 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.422 -17.110 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.715 -16.481 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.127 -17.305 -3.104 1.00 0.00 H new ATOM 60 N PRO A 29 -9.011 -15.477 -2.618 1.00 0.00 N ATOM 61 CA PRO A 29 -10.205 -14.926 -1.986 1.00 0.00 C ATOM 62 C PRO A 29 -9.800 -13.954 -0.866 1.00 0.00 C ATOM 63 O PRO A 29 -8.749 -14.176 -0.254 1.00 0.00 O ATOM 64 CB PRO A 29 -10.960 -16.135 -1.443 1.00 0.00 C ATOM 65 CG PRO A 29 -9.863 -17.160 -1.162 1.00 0.00 C ATOM 66 CD PRO A 29 -8.782 -16.841 -2.190 1.00 0.00 C ATOM 0 HA PRO A 29 -10.827 -14.356 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.515 -15.886 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.683 -16.512 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.484 -17.069 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.232 -18.179 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.789 -16.949 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.836 -17.527 -3.035 1.00 0.00 H new ATOM 74 N PRO A 30 -10.598 -12.898 -0.596 1.00 0.00 N ATOM 75 CA PRO A 30 -10.224 -11.777 0.263 1.00 0.00 C ATOM 76 C PRO A 30 -10.064 -12.178 1.742 1.00 0.00 C ATOM 77 O PRO A 30 -10.407 -13.296 2.126 1.00 0.00 O ATOM 78 CB PRO A 30 -11.274 -10.695 0.013 1.00 0.00 C ATOM 79 CG PRO A 30 -12.511 -11.463 -0.439 1.00 0.00 C ATOM 80 CD PRO A 30 -11.943 -12.710 -1.111 1.00 0.00 C ATOM 0 HA PRO A 30 -9.232 -11.399 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.473 -10.118 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.944 -9.990 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.152 -11.720 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.115 -10.876 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.563 -13.580 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.927 -12.590 -2.194 1.00 0.00 H new ATOM 88 N GLY A 31 -9.516 -11.300 2.592 1.00 0.00 N ATOM 89 CA GLY A 31 -9.046 -11.690 3.925 1.00 0.00 C ATOM 90 C GLY A 31 -8.122 -10.639 4.540 1.00 0.00 C ATOM 91 O GLY A 31 -8.167 -9.475 4.162 1.00 0.00 O ATOM 0 H GLY A 31 -9.387 -10.311 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.903 -11.846 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.518 -12.642 3.859 1.00 0.00 H new ATOM 95 N THR A 32 -7.280 -11.028 5.501 1.00 0.00 N ATOM 96 CA THR A 32 -6.113 -10.244 5.919 1.00 0.00 C ATOM 97 C THR A 32 -4.886 -11.151 5.882 1.00 0.00 C ATOM 98 O THR A 32 -5.023 -12.368 6.023 1.00 0.00 O ATOM 99 CB THR A 32 -6.352 -9.564 7.281 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.278 -8.692 7.564 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.518 -10.557 8.433 1.00 0.00 C ATOM 0 H THR A 32 -7.389 -11.902 6.015 1.00 0.00 H new ATOM 0 HA THR A 32 -5.937 -9.419 5.229 1.00 0.00 H new ATOM 0 HB THR A 32 -7.290 -9.015 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.435 -8.248 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.683 -10.012 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.373 -11.204 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.617 -11.164 8.523 1.00 0.00 H new ATOM 109 N TYR A 33 -3.706 -10.591 5.617 1.00 0.00 N ATOM 110 CA TYR A 33 -2.449 -11.323 5.615 1.00 0.00 C ATOM 111 C TYR A 33 -1.428 -10.528 6.420 1.00 0.00 C ATOM 112 O TYR A 33 -1.376 -9.299 6.338 1.00 0.00 O ATOM 113 CB TYR A 33 -1.979 -11.671 4.185 1.00 0.00 C ATOM 114 CG TYR A 33 -2.133 -10.626 3.079 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.490 -9.379 3.148 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.818 -10.948 1.891 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.609 -8.448 2.109 1.00 0.00 C ATOM 118 CE2 TYR A 33 -2.983 -9.997 0.862 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.388 -8.726 0.979 1.00 0.00 C ATOM 120 OH TYR A 33 -2.500 -7.782 0.005 1.00 0.00 O ATOM 0 H TYR A 33 -3.600 -9.601 5.395 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.582 -12.292 6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.924 -11.937 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.517 -12.565 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.895 -9.135 4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.224 -11.941 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.093 -7.502 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.565 -10.243 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.072 -8.121 -0.715 1.00 0.00 H new ATOM 130 N ARG A 34 -0.643 -11.228 7.239 1.00 0.00 N ATOM 131 CA ARG A 34 0.414 -10.660 8.067 1.00 0.00 C ATOM 132 C ARG A 34 1.670 -10.537 7.236 1.00 0.00 C ATOM 133 O ARG A 34 2.164 -11.559 6.764 1.00 0.00 O ATOM 134 CB ARG A 34 0.627 -11.581 9.267 1.00 0.00 C ATOM 135 CG ARG A 34 1.809 -11.218 10.171 1.00 0.00 C ATOM 136 CD ARG A 34 1.790 -9.770 10.663 1.00 0.00 C ATOM 137 NE ARG A 34 2.453 -9.682 11.969 1.00 0.00 N ATOM 138 CZ ARG A 34 3.768 -9.740 12.188 1.00 0.00 C ATOM 139 NH1 ARG A 34 4.626 -9.675 11.174 1.00 0.00 N ATOM 140 NH2 ARG A 34 4.225 -9.876 13.425 1.00 0.00 N ATOM 0 H ARG A 34 -0.730 -12.239 7.346 1.00 0.00 H new ATOM 0 HA ARG A 34 0.146 -9.667 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.282 -11.582 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.769 -12.598 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.812 -11.885 11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.737 -11.395 9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.295 -9.125 9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.762 -9.416 10.742 1.00 0.00 H new ATOM 0 HE ARG A 34 1.853 -9.566 12.785 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.281 -9.580 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.629 -9.720 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.572 -9.936 14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.230 -9.921 13.595 1.00 0.00 H new ATOM 154 N VAL A 35 2.171 -9.320 7.057 1.00 0.00 N ATOM 155 CA VAL A 35 3.279 -9.029 6.169 1.00 0.00 C ATOM 156 C VAL A 35 3.989 -7.740 6.565 1.00 0.00 C ATOM 157 O VAL A 35 3.543 -6.982 7.430 1.00 0.00 O ATOM 158 CB VAL A 35 2.774 -8.956 4.706 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.315 -10.284 4.118 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.625 -7.946 4.544 1.00 0.00 C ATOM 0 H VAL A 35 1.808 -8.496 7.536 1.00 0.00 H new ATOM 0 HA VAL A 35 4.007 -9.836 6.253 1.00 0.00 H new ATOM 0 HB VAL A 35 3.657 -8.635 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.980 -10.131 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.144 -10.992 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.492 -10.680 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.301 -7.927 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.789 -8.241 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.969 -6.954 4.835 1.00 0.00 H new ATOM 170 N ASP A 36 5.095 -7.496 5.880 1.00 0.00 N ATOM 171 CA ASP A 36 5.924 -6.322 5.969 1.00 0.00 C ATOM 172 C ASP A 36 5.747 -5.506 4.691 1.00 0.00 C ATOM 173 O ASP A 36 6.013 -5.969 3.586 1.00 0.00 O ATOM 174 CB ASP A 36 7.385 -6.674 6.256 1.00 0.00 C ATOM 175 CG ASP A 36 7.932 -7.990 5.706 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.417 -8.024 4.556 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.011 -8.956 6.506 1.00 0.00 O ATOM 0 H ASP A 36 5.456 -8.166 5.201 1.00 0.00 H new ATOM 0 HA ASP A 36 5.610 -5.713 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.005 -5.867 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.519 -6.684 7.338 1.00 0.00 H new ATOM 183 N ILE A 37 5.225 -4.291 4.847 1.00 0.00 N ATOM 184 CA ILE A 37 5.052 -3.270 3.829 1.00 0.00 C ATOM 185 C ILE A 37 6.452 -2.815 3.436 1.00 0.00 C ATOM 186 O ILE A 37 7.131 -2.146 4.215 1.00 0.00 O ATOM 187 CB ILE A 37 4.171 -2.114 4.369 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.727 -2.557 4.708 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.060 -0.986 3.324 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.519 -3.315 6.028 1.00 0.00 C ATOM 0 H ILE A 37 4.889 -3.977 5.757 1.00 0.00 H new ATOM 0 HA ILE A 37 4.530 -3.649 2.950 1.00 0.00 H new ATOM 0 HB ILE A 37 4.664 -1.775 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.096 -1.668 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.367 -3.188 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.438 -0.183 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.054 -0.598 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.609 -1.378 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.464 -3.565 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.110 -4.231 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.835 -2.688 6.862 1.00 0.00 H new ATOM 202 N TYR A 38 6.882 -3.166 2.228 1.00 0.00 N ATOM 203 CA TYR A 38 8.200 -2.852 1.698 1.00 0.00 C ATOM 204 C TYR A 38 8.011 -1.866 0.555 1.00 0.00 C ATOM 205 O TYR A 38 7.940 -2.242 -0.616 1.00 0.00 O ATOM 206 CB TYR A 38 8.939 -4.134 1.291 1.00 0.00 C ATOM 207 CG TYR A 38 9.946 -4.630 2.312 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.526 -5.043 3.587 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.313 -4.666 1.989 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.468 -5.440 4.554 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.258 -5.095 2.937 1.00 0.00 C ATOM 212 CZ TYR A 38 11.841 -5.469 4.234 1.00 0.00 C ATOM 213 OH TYR A 38 12.752 -5.845 5.172 1.00 0.00 O ATOM 0 H TYR A 38 6.304 -3.692 1.573 1.00 0.00 H new ATOM 0 HA TYR A 38 8.834 -2.386 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.205 -4.920 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.454 -3.957 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.473 -5.056 3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.640 -4.362 1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.139 -5.723 5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.304 -5.139 2.674 1.00 0.00 H new ATOM 0 HH TYR A 38 13.652 -5.811 4.786 1.00 0.00 H new ATOM 223 N LEU A 39 7.884 -0.586 0.913 1.00 0.00 N ATOM 224 CA LEU A 39 7.691 0.478 -0.057 1.00 0.00 C ATOM 225 C LEU A 39 9.022 0.830 -0.678 1.00 0.00 C ATOM 226 O LEU A 39 9.976 1.079 0.049 1.00 0.00 O ATOM 227 CB LEU A 39 7.091 1.720 0.610 1.00 0.00 C ATOM 228 CG LEU A 39 6.919 2.898 -0.361 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.809 2.615 -1.365 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.555 4.173 0.386 1.00 0.00 C ATOM 0 H LEU A 39 7.913 -0.266 1.881 1.00 0.00 H new ATOM 0 HA LEU A 39 7.000 0.132 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.122 1.464 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.732 2.028 1.436 1.00 0.00 H new ATOM 0 HG LEU A 39 7.871 3.026 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.706 3.463 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.056 1.721 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.870 2.458 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.439 4.991 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.619 4.025 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.346 4.418 1.095 1.00 0.00 H new ATOM 242 N ASN A 40 9.058 0.889 -2.009 1.00 0.00 N ATOM 243 CA ASN A 40 10.215 1.264 -2.816 1.00 0.00 C ATOM 244 C ASN A 40 11.459 0.518 -2.359 1.00 0.00 C ATOM 245 O ASN A 40 12.560 1.075 -2.356 1.00 0.00 O ATOM 246 CB ASN A 40 10.391 2.791 -2.871 1.00 0.00 C ATOM 247 CG ASN A 40 9.165 3.502 -3.417 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.485 2.991 -4.296 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.836 4.678 -2.907 1.00 0.00 N ATOM 0 H ASN A 40 8.242 0.666 -2.579 1.00 0.00 H new ATOM 0 HA ASN A 40 10.039 0.955 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.607 3.164 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.253 3.031 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.008 5.168 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.410 5.095 -2.174 1.00 0.00 H new ATOM 256 N ASN A 41 11.246 -0.754 -2.002 1.00 0.00 N ATOM 257 CA ASN A 41 12.217 -1.683 -1.450 1.00 0.00 C ATOM 258 C ASN A 41 12.958 -1.072 -0.250 1.00 0.00 C ATOM 259 O ASN A 41 14.185 -1.076 -0.185 1.00 0.00 O ATOM 260 CB ASN A 41 13.102 -2.228 -2.583 1.00 0.00 C ATOM 261 CG ASN A 41 12.438 -3.401 -3.290 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.854 -4.542 -3.139 1.00 0.00 O ATOM 263 ND2 ASN A 41 11.392 -3.173 -4.067 1.00 0.00 N ATOM 0 H ASN A 41 10.326 -1.182 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 41 11.720 -2.553 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.304 -1.435 -3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.063 -2.543 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.930 -3.949 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.047 -2.221 -4.191 1.00 0.00 H new ATOM 270 N GLY A 42 12.195 -0.533 0.703 1.00 0.00 N ATOM 271 CA GLY A 42 12.691 0.048 1.939 1.00 0.00 C ATOM 272 C GLY A 42 11.583 0.100 2.982 1.00 0.00 C ATOM 273 O GLY A 42 11.172 1.193 3.343 1.00 0.00 O ATOM 0 H GLY A 42 11.179 -0.491 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.527 -0.542 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.069 1.053 1.750 1.00 0.00 H new ATOM 277 N TYR A 43 11.085 -1.074 3.399 1.00 0.00 N ATOM 278 CA TYR A 43 10.495 -1.399 4.708 1.00 0.00 C ATOM 279 C TYR A 43 9.908 -0.217 5.505 1.00 0.00 C ATOM 280 O TYR A 43 10.636 0.558 6.120 1.00 0.00 O ATOM 281 CB TYR A 43 11.585 -2.113 5.526 1.00 0.00 C ATOM 282 CG TYR A 43 11.241 -2.504 6.953 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.923 -2.823 7.348 1.00 0.00 C ATOM 284 CD2 TYR A 43 12.266 -2.480 7.916 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.625 -3.025 8.705 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.976 -2.713 9.268 1.00 0.00 C ATOM 287 CZ TYR A 43 10.648 -2.962 9.676 1.00 0.00 C ATOM 288 OH TYR A 43 10.370 -3.103 11.004 1.00 0.00 O ATOM 0 H TYR A 43 11.084 -1.885 2.781 1.00 0.00 H new ATOM 0 HA TYR A 43 9.623 -2.025 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.873 -3.017 4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.462 -1.467 5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.144 -2.912 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.283 -2.281 7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.609 -3.230 9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.771 -2.702 9.999 1.00 0.00 H new ATOM 0 HH TYR A 43 11.199 -3.032 11.521 1.00 0.00 H new ATOM 298 N MET A 44 8.576 -0.143 5.559 1.00 0.00 N ATOM 299 CA MET A 44 7.820 0.928 6.208 1.00 0.00 C ATOM 300 C MET A 44 7.102 0.471 7.478 1.00 0.00 C ATOM 301 O MET A 44 7.065 1.214 8.463 1.00 0.00 O ATOM 302 CB MET A 44 6.767 1.456 5.220 1.00 0.00 C ATOM 303 CG MET A 44 7.413 2.230 4.077 1.00 0.00 C ATOM 304 SD MET A 44 8.048 3.829 4.616 1.00 0.00 S ATOM 305 CE MET A 44 9.434 4.075 3.492 1.00 0.00 C ATOM 0 H MET A 44 7.975 -0.851 5.138 1.00 0.00 H new ATOM 0 HA MET A 44 8.535 1.699 6.495 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.193 0.621 4.817 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.064 2.101 5.746 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.227 1.641 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.682 2.380 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.210 4.654 3.992 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.838 3.107 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.094 4.613 2.607 1.00 0.00 H new ATOM 315 N ALA A 45 6.438 -0.687 7.441 1.00 0.00 N ATOM 316 CA ALA A 45 5.511 -1.139 8.475 1.00 0.00 C ATOM 317 C ALA A 45 5.412 -2.659 8.433 1.00 0.00 C ATOM 318 O ALA A 45 5.632 -3.245 7.374 1.00 0.00 O ATOM 319 CB ALA A 45 4.137 -0.489 8.238 1.00 0.00 C ATOM 0 H ALA A 45 6.534 -1.350 6.672 1.00 0.00 H new ATOM 0 HA ALA A 45 5.870 -0.845 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.440 -0.822 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.235 0.596 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.761 -0.779 7.257 1.00 0.00 H new ATOM 325 N THR A 46 5.014 -3.284 9.539 1.00 0.00 N ATOM 326 CA THR A 46 4.855 -4.729 9.647 1.00 0.00 C ATOM 327 C THR A 46 3.614 -5.015 10.486 1.00 0.00 C ATOM 328 O THR A 46 3.570 -4.686 11.674 1.00 0.00 O ATOM 329 CB THR A 46 6.128 -5.363 10.230 1.00 0.00 C ATOM 330 OG1 THR A 46 7.206 -5.137 9.350 1.00 0.00 O ATOM 331 CG2 THR A 46 5.975 -6.871 10.402 1.00 0.00 C ATOM 0 H THR A 46 4.789 -2.788 10.402 1.00 0.00 H new ATOM 0 HA THR A 46 4.713 -5.179 8.664 1.00 0.00 H new ATOM 0 HB THR A 46 6.307 -4.908 11.204 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.020 -5.539 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.894 -7.285 10.816 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.146 -7.078 11.079 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.775 -7.329 9.433 1.00 0.00 H new ATOM 339 N ARG A 47 2.583 -5.583 9.858 1.00 0.00 N ATOM 340 CA ARG A 47 1.270 -5.796 10.460 1.00 0.00 C ATOM 341 C ARG A 47 0.452 -6.741 9.597 1.00 0.00 C ATOM 342 O ARG A 47 0.926 -7.237 8.575 1.00 0.00 O ATOM 343 CB ARG A 47 0.522 -4.460 10.669 1.00 0.00 C ATOM 344 CG ARG A 47 0.890 -3.304 9.716 1.00 0.00 C ATOM 345 CD ARG A 47 -0.253 -2.286 9.642 1.00 0.00 C ATOM 346 NE ARG A 47 -0.466 -1.651 10.951 1.00 0.00 N ATOM 347 CZ ARG A 47 0.269 -0.647 11.442 1.00 0.00 C ATOM 348 NH1 ARG A 47 1.013 0.085 10.618 1.00 0.00 N ATOM 349 NH2 ARG A 47 0.259 -0.390 12.746 1.00 0.00 N ATOM 0 H ARG A 47 2.641 -5.914 8.895 1.00 0.00 H new ATOM 0 HA ARG A 47 1.413 -6.247 11.442 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.547 -4.650 10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.699 -4.127 11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.800 -2.814 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.100 -3.697 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.022 -1.525 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.168 -2.782 9.319 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.231 -2.002 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.021 -0.121 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.576 0.852 10.985 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.310 -0.959 13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.820 0.376 13.119 1.00 0.00 H new ATOM 363 N ASP A 48 -0.765 -7.038 10.028 1.00 0.00 N ATOM 364 CA ASP A 48 -1.794 -7.550 9.142 1.00 0.00 C ATOM 365 C ASP A 48 -2.291 -6.427 8.229 1.00 0.00 C ATOM 366 O ASP A 48 -2.219 -5.248 8.583 1.00 0.00 O ATOM 367 CB ASP A 48 -2.901 -8.191 9.972 1.00 0.00 C ATOM 368 CG ASP A 48 -3.917 -7.189 10.512 1.00 0.00 C ATOM 369 OD1 ASP A 48 -4.993 -7.037 9.892 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.619 -6.600 11.581 1.00 0.00 O ATOM 0 H ASP A 48 -1.064 -6.931 10.997 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.395 -8.328 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.421 -8.929 9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.453 -8.728 10.808 1.00 0.00 H new ATOM 376 N VAL A 49 -2.736 -6.795 7.029 1.00 0.00 N ATOM 377 CA VAL A 49 -3.160 -5.883 5.978 1.00 0.00 C ATOM 378 C VAL A 49 -4.396 -6.503 5.335 1.00 0.00 C ATOM 379 O VAL A 49 -4.288 -7.390 4.490 1.00 0.00 O ATOM 380 CB VAL A 49 -2.009 -5.573 4.982 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.262 -4.253 4.238 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.637 -5.395 5.640 1.00 0.00 C ATOM 0 H VAL A 49 -2.813 -7.775 6.756 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.421 -4.903 6.378 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.998 -6.443 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.441 -4.061 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.196 -4.323 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.329 -3.437 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.109 -5.182 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.678 -4.567 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.365 -6.310 6.167 1.00 0.00 H new ATOM 392 N THR A 50 -5.574 -6.083 5.786 1.00 0.00 N ATOM 393 CA THR A 50 -6.854 -6.573 5.305 1.00 0.00 C ATOM 394 C THR A 50 -7.056 -6.152 3.854 1.00 0.00 C ATOM 395 O THR A 50 -7.352 -4.992 3.564 1.00 0.00 O ATOM 396 CB THR A 50 -7.977 -6.105 6.241 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.584 -6.391 7.570 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.281 -6.845 5.945 1.00 0.00 C ATOM 0 H THR A 50 -5.663 -5.375 6.514 1.00 0.00 H new ATOM 0 HA THR A 50 -6.874 -7.663 5.318 1.00 0.00 H new ATOM 0 HB THR A 50 -8.145 -5.038 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.286 -6.099 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.060 -6.495 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.582 -6.654 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.132 -7.915 6.086 1.00 0.00 H new ATOM 406 N PHE A 51 -6.827 -7.067 2.918 1.00 0.00 N ATOM 407 CA PHE A 51 -7.164 -6.912 1.536 1.00 0.00 C ATOM 408 C PHE A 51 -8.641 -7.190 1.306 1.00 0.00 C ATOM 409 O PHE A 51 -9.315 -7.862 2.083 1.00 0.00 O ATOM 410 CB PHE A 51 -6.280 -7.868 0.745 1.00 0.00 C ATOM 411 CG PHE A 51 -6.331 -9.317 1.191 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.621 -9.764 2.324 1.00 0.00 C ATOM 413 CD2 PHE A 51 -7.033 -10.248 0.413 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.614 -11.134 2.645 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.937 -11.617 0.699 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.251 -12.067 1.828 1.00 0.00 C ATOM 0 H PHE A 51 -6.385 -7.963 3.124 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.990 -5.888 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.568 -7.818 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.249 -7.521 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.085 -9.059 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.649 -9.910 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.107 -11.468 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.400 -12.333 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.214 -13.120 2.065 1.00 0.00 H new ATOM 426 N ASN A 52 -9.140 -6.638 0.210 1.00 0.00 N ATOM 427 CA ASN A 52 -10.534 -6.695 -0.179 1.00 0.00 C ATOM 428 C ASN A 52 -10.588 -7.229 -1.602 1.00 0.00 C ATOM 429 O ASN A 52 -9.560 -7.312 -2.287 1.00 0.00 O ATOM 430 CB ASN A 52 -11.162 -5.296 -0.070 1.00 0.00 C ATOM 431 CG ASN A 52 -11.515 -4.896 1.360 1.00 0.00 C ATOM 432 OD1 ASN A 52 -12.688 -4.727 1.684 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.537 -4.652 2.218 1.00 0.00 N ATOM 0 H ASN A 52 -8.562 -6.121 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.104 -7.353 0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.470 -4.563 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.064 -5.263 -0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.754 -4.321 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.566 -4.796 1.939 1.00 0.00 H new ATOM 440 N THR A 53 -11.790 -7.580 -2.056 1.00 0.00 N ATOM 441 CA THR A 53 -12.044 -7.932 -3.441 1.00 0.00 C ATOM 442 C THR A 53 -11.567 -6.755 -4.302 1.00 0.00 C ATOM 443 O THR A 53 -11.931 -5.606 -4.033 1.00 0.00 O ATOM 444 CB THR A 53 -13.543 -8.242 -3.633 1.00 0.00 C ATOM 445 OG1 THR A 53 -14.143 -8.746 -2.450 1.00 0.00 O ATOM 446 CG2 THR A 53 -13.722 -9.301 -4.717 1.00 0.00 C ATOM 0 H THR A 53 -12.619 -7.627 -1.463 1.00 0.00 H new ATOM 0 HA THR A 53 -11.504 -8.831 -3.740 1.00 0.00 H new ATOM 0 HB THR A 53 -14.021 -7.302 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.092 -8.927 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.783 -9.514 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.309 -8.934 -5.656 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.202 -10.213 -4.424 1.00 0.00 H new ATOM 454 N GLY A 54 -10.701 -7.007 -5.280 1.00 0.00 N ATOM 455 CA GLY A 54 -9.976 -5.971 -5.996 1.00 0.00 C ATOM 456 C GLY A 54 -9.870 -6.331 -7.467 1.00 0.00 C ATOM 457 O GLY A 54 -10.789 -6.908 -8.054 1.00 0.00 O ATOM 0 H GLY A 54 -10.483 -7.951 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.487 -5.015 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.980 -5.852 -5.570 1.00 0.00 H new ATOM 461 N ASP A 55 -8.767 -5.923 -8.077 1.00 0.00 N ATOM 462 CA ASP A 55 -8.235 -6.465 -9.319 1.00 0.00 C ATOM 463 C ASP A 55 -6.735 -6.204 -9.242 1.00 0.00 C ATOM 464 O ASP A 55 -6.357 -5.141 -8.737 1.00 0.00 O ATOM 465 CB ASP A 55 -8.816 -5.732 -10.528 1.00 0.00 C ATOM 466 CG ASP A 55 -8.503 -6.448 -11.839 1.00 0.00 C ATOM 467 OD1 ASP A 55 -8.149 -5.732 -12.805 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.644 -7.693 -11.893 1.00 0.00 O ATOM 0 H ASP A 55 -8.191 -5.169 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.481 -7.520 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.896 -5.643 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.415 -4.719 -10.564 1.00 0.00 H new ATOM 474 N SER A 56 -5.895 -7.141 -9.670 1.00 0.00 N ATOM 475 CA SER A 56 -4.432 -7.096 -9.784 1.00 0.00 C ATOM 476 C SER A 56 -3.998 -8.497 -10.249 1.00 0.00 C ATOM 477 O SER A 56 -4.860 -9.300 -10.610 1.00 0.00 O ATOM 478 CB SER A 56 -3.731 -6.709 -8.460 1.00 0.00 C ATOM 479 OG SER A 56 -3.857 -5.325 -8.226 1.00 0.00 O ATOM 0 H SER A 56 -6.254 -8.045 -9.978 1.00 0.00 H new ATOM 0 HA SER A 56 -4.139 -6.321 -10.492 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.170 -7.266 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.677 -6.983 -8.505 1.00 0.00 H new ATOM 0 HG SER A 56 -4.806 -5.090 -8.158 1.00 0.00 H new ATOM 485 N GLU A 57 -2.704 -8.837 -10.180 1.00 0.00 N ATOM 486 CA GLU A 57 -2.215 -10.189 -10.448 1.00 0.00 C ATOM 487 C GLU A 57 -3.030 -11.222 -9.667 1.00 0.00 C ATOM 488 O GLU A 57 -3.609 -12.131 -10.263 1.00 0.00 O ATOM 489 CB GLU A 57 -0.723 -10.335 -10.120 1.00 0.00 C ATOM 490 CG GLU A 57 0.136 -9.384 -10.971 1.00 0.00 C ATOM 491 CD GLU A 57 1.637 -9.651 -10.845 1.00 0.00 C ATOM 492 OE1 GLU A 57 2.405 -8.668 -10.697 1.00 0.00 O ATOM 493 OE2 GLU A 57 2.045 -10.836 -10.961 1.00 0.00 O ATOM 0 H GLU A 57 -1.966 -8.176 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.339 -10.370 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.560 -10.127 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.410 -11.364 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.157 -9.478 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.070 -8.356 -10.674 1.00 0.00 H new ATOM 501 N GLN A 58 -3.119 -11.038 -8.346 1.00 0.00 N ATOM 502 CA GLN A 58 -3.847 -11.949 -7.463 1.00 0.00 C ATOM 503 C GLN A 58 -5.370 -11.717 -7.500 1.00 0.00 C ATOM 504 O GLN A 58 -6.146 -12.509 -6.964 1.00 0.00 O ATOM 505 CB GLN A 58 -3.356 -11.720 -6.033 1.00 0.00 C ATOM 506 CG GLN A 58 -1.824 -11.684 -5.872 1.00 0.00 C ATOM 507 CD GLN A 58 -1.421 -10.420 -5.130 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.578 -10.414 -3.821 1.00 0.00 O flip ATOM 509 NE2 GLN A 58 -1.074 -9.407 -5.731 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.687 -10.252 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.660 -12.968 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.767 -10.778 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.755 -12.509 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.485 -12.563 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.344 -11.713 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.957 -9.430 -6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.902 -8.543 -5.217 1.00 0.00 H new ATOM 518 N GLY A 59 -5.823 -10.598 -8.064 1.00 0.00 N ATOM 519 CA GLY A 59 -7.217 -10.170 -8.058 1.00 0.00 C ATOM 520 C GLY A 59 -7.667 -9.445 -6.791 1.00 0.00 C ATOM 521 O GLY A 59 -8.808 -9.000 -6.744 1.00 0.00 O ATOM 0 H GLY A 59 -5.209 -9.946 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.383 -9.513 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.850 -11.046 -8.201 1.00 0.00 H new ATOM 525 N ILE A 60 -6.838 -9.333 -5.759 1.00 0.00 N ATOM 526 CA ILE A 60 -7.151 -8.695 -4.475 1.00 0.00 C ATOM 527 C ILE A 60 -6.188 -7.536 -4.290 1.00 0.00 C ATOM 528 O ILE A 60 -5.108 -7.545 -4.886 1.00 0.00 O ATOM 529 CB ILE A 60 -7.048 -9.702 -3.301 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.824 -10.630 -3.475 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.355 -10.510 -3.249 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.476 -11.418 -2.220 1.00 0.00 C ATOM 0 H ILE A 60 -5.886 -9.699 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.179 -8.334 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.908 -9.167 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.020 -11.327 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.962 -10.030 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.307 -11.227 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.195 -9.834 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.491 -11.043 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.608 -12.048 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.249 -10.727 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.322 -12.044 -1.937 1.00 0.00 H new ATOM 544 N VAL A 61 -6.574 -6.564 -3.463 1.00 0.00 N ATOM 545 CA VAL A 61 -5.694 -5.459 -3.113 1.00 0.00 C ATOM 546 C VAL A 61 -5.825 -5.136 -1.609 1.00 0.00 C ATOM 547 O VAL A 61 -6.932 -5.225 -1.067 1.00 0.00 O ATOM 548 CB VAL A 61 -5.971 -4.250 -4.030 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.808 -4.556 -5.526 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.358 -3.628 -3.796 1.00 0.00 C ATOM 0 H VAL A 61 -7.494 -6.524 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.654 -5.739 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.204 -3.529 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.019 -3.658 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.787 -4.882 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.502 -5.345 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.496 -2.782 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.129 -4.374 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.434 -3.286 -2.764 1.00 0.00 H new ATOM 560 N PRO A 62 -4.733 -4.746 -0.923 1.00 0.00 N ATOM 561 CA PRO A 62 -4.714 -4.395 0.501 1.00 0.00 C ATOM 562 C PRO A 62 -5.498 -3.107 0.787 1.00 0.00 C ATOM 563 O PRO A 62 -5.565 -2.201 -0.050 1.00 0.00 O ATOM 564 CB PRO A 62 -3.243 -4.243 0.879 1.00 0.00 C ATOM 565 CG PRO A 62 -2.539 -3.976 -0.440 1.00 0.00 C ATOM 566 CD PRO A 62 -3.403 -4.645 -1.493 1.00 0.00 C ATOM 0 HA PRO A 62 -5.201 -5.169 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.096 -3.422 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.861 -5.144 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.446 -2.906 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.530 -4.388 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.417 -4.061 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.013 -5.631 -1.747 1.00 0.00 H new ATOM 574 N CYS A 63 -6.020 -2.975 2.008 1.00 0.00 N ATOM 575 CA CYS A 63 -6.466 -1.701 2.553 1.00 0.00 C ATOM 576 C CYS A 63 -5.224 -0.911 2.954 1.00 0.00 C ATOM 577 O CYS A 63 -4.453 -1.377 3.797 1.00 0.00 O ATOM 578 CB CYS A 63 -7.352 -1.916 3.786 1.00 0.00 C ATOM 579 SG CYS A 63 -7.854 -0.367 4.585 1.00 0.00 S ATOM 0 H CYS A 63 -6.144 -3.759 2.648 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.051 -1.164 1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.243 -2.471 3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.816 -2.532 4.508 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.601 -0.632 5.616 1.00 0.00 H new ATOM 585 N LEU A 64 -5.044 0.286 2.395 1.00 0.00 N ATOM 586 CA LEU A 64 -4.087 1.278 2.871 1.00 0.00 C ATOM 587 C LEU A 64 -4.883 2.586 3.017 1.00 0.00 C ATOM 588 O LEU A 64 -5.842 2.791 2.282 1.00 0.00 O ATOM 589 CB LEU A 64 -2.879 1.398 1.921 1.00 0.00 C ATOM 590 CG LEU A 64 -2.142 0.102 1.485 1.00 0.00 C ATOM 591 CD1 LEU A 64 -2.277 -0.123 -0.028 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.642 0.196 1.764 1.00 0.00 C ATOM 0 H LEU A 64 -5.573 0.597 1.580 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.647 0.998 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.218 1.905 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.147 2.050 2.398 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.596 -0.711 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.753 -1.037 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.331 -0.215 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.843 0.723 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.155 -0.726 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.221 1.036 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.479 0.345 2.831 1.00 0.00 H new ATOM 604 N THR A 65 -4.501 3.446 3.959 1.00 0.00 N ATOM 605 CA THR A 65 -5.313 4.424 4.698 1.00 0.00 C ATOM 606 C THR A 65 -4.565 5.747 4.779 1.00 0.00 C ATOM 607 O THR A 65 -3.340 5.711 4.862 1.00 0.00 O ATOM 608 CB THR A 65 -5.547 3.887 6.132 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.584 4.304 7.076 1.00 0.00 O ATOM 610 CG2 THR A 65 -5.454 2.360 6.141 1.00 0.00 C ATOM 0 H THR A 65 -3.526 3.483 4.255 1.00 0.00 H new ATOM 0 HA THR A 65 -6.265 4.576 4.190 1.00 0.00 H new ATOM 0 HB THR A 65 -6.527 4.277 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.035 4.615 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.620 1.991 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.211 1.945 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.465 2.054 5.801 1.00 0.00 H new ATOM 618 N ARG A 66 -5.212 6.918 4.835 1.00 0.00 N ATOM 619 CA ARG A 66 -4.426 8.161 4.807 1.00 0.00 C ATOM 620 C ARG A 66 -3.338 8.226 5.869 1.00 0.00 C ATOM 621 O ARG A 66 -2.273 8.778 5.606 1.00 0.00 O ATOM 622 CB ARG A 66 -5.306 9.400 4.935 1.00 0.00 C ATOM 623 CG ARG A 66 -4.541 10.614 4.389 1.00 0.00 C ATOM 624 CD ARG A 66 -5.456 11.615 3.695 1.00 0.00 C ATOM 625 NE ARG A 66 -5.475 12.916 4.377 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.419 13.455 5.155 1.00 0.00 C ATOM 627 NH1 ARG A 66 -7.569 12.840 5.385 1.00 0.00 N ATOM 628 NH2 ARG A 66 -6.192 14.640 5.696 1.00 0.00 N ATOM 0 H ARG A 66 -6.224 7.033 4.897 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.942 8.149 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.235 9.261 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.577 9.563 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.020 11.110 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.780 10.274 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.127 11.752 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.468 11.213 3.656 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.646 13.493 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.754 11.930 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.270 13.277 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.312 15.123 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.897 15.072 6.293 1.00 0.00 H new ATOM 642 N ALA A 67 -3.609 7.623 7.019 1.00 0.00 N ATOM 643 CA ALA A 67 -2.598 7.465 8.049 1.00 0.00 C ATOM 644 C ALA A 67 -1.474 6.534 7.592 1.00 0.00 C ATOM 645 O ALA A 67 -0.327 6.957 7.571 1.00 0.00 O ATOM 646 CB ALA A 67 -3.145 6.953 9.384 1.00 0.00 C ATOM 0 H ALA A 67 -4.522 7.236 7.259 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.214 8.472 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.329 6.862 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.887 7.654 9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.609 5.978 9.237 1.00 0.00 H new ATOM 652 N GLN A 68 -1.782 5.285 7.225 1.00 0.00 N ATOM 653 CA GLN A 68 -0.820 4.248 6.831 1.00 0.00 C ATOM 654 C GLN A 68 0.088 4.780 5.728 1.00 0.00 C ATOM 655 O GLN A 68 1.290 4.540 5.706 1.00 0.00 O ATOM 656 CB GLN A 68 -1.610 3.018 6.341 1.00 0.00 C ATOM 657 CG GLN A 68 -2.071 2.140 7.517 1.00 0.00 C ATOM 658 CD GLN A 68 -1.182 0.905 7.645 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.043 0.955 8.097 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.654 -0.232 7.162 1.00 0.00 N ATOM 0 H GLN A 68 -2.747 4.955 7.193 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.194 3.966 7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.477 3.346 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.987 2.429 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.039 2.715 8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.107 1.835 7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.601 -0.272 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.071 -1.069 7.165 1.00 0.00 H new ATOM 669 N LEU A 69 -0.507 5.545 4.827 1.00 0.00 N ATOM 670 CA LEU A 69 0.119 6.268 3.750 1.00 0.00 C ATOM 671 C LEU A 69 1.022 7.384 4.226 1.00 0.00 C ATOM 672 O LEU A 69 2.231 7.335 3.996 1.00 0.00 O ATOM 673 CB LEU A 69 -0.986 6.824 2.864 1.00 0.00 C ATOM 674 CG LEU A 69 -1.536 5.729 1.959 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.515 4.722 2.411 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.230 6.388 0.757 1.00 0.00 C ATOM 0 H LEU A 69 -1.518 5.682 4.837 1.00 0.00 H new ATOM 0 HA LEU A 69 0.763 5.581 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.786 7.232 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.599 7.645 2.260 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.616 5.162 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.753 4.050 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.092 4.148 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.424 5.222 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.629 5.616 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.044 7.021 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.509 6.995 0.209 1.00 0.00 H new ATOM 688 N ALA A 70 0.467 8.430 4.841 1.00 0.00 N ATOM 689 CA ALA A 70 1.259 9.562 5.300 1.00 0.00 C ATOM 690 C ALA A 70 2.264 9.135 6.377 1.00 0.00 C ATOM 691 O ALA A 70 3.127 9.936 6.745 1.00 0.00 O ATOM 692 CB ALA A 70 0.333 10.659 5.826 1.00 0.00 C ATOM 0 H ALA A 70 -0.532 8.512 5.031 1.00 0.00 H new ATOM 0 HA ALA A 70 1.829 9.952 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.929 11.505 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.335 10.985 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.257 10.270 6.656 1.00 0.00 H new ATOM 698 N SER A 71 2.180 7.892 6.856 1.00 0.00 N ATOM 699 CA SER A 71 3.176 7.279 7.713 1.00 0.00 C ATOM 700 C SER A 71 4.411 7.011 6.861 1.00 0.00 C ATOM 701 O SER A 71 5.493 7.473 7.222 1.00 0.00 O ATOM 702 CB SER A 71 2.598 6.020 8.359 1.00 0.00 C ATOM 703 OG SER A 71 3.439 5.449 9.334 1.00 0.00 O ATOM 0 H SER A 71 1.395 7.275 6.649 1.00 0.00 H new ATOM 0 HA SER A 71 3.464 7.932 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.639 6.264 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.402 5.281 7.582 1.00 0.00 H new ATOM 0 HG SER A 71 3.011 4.651 9.708 1.00 0.00 H new ATOM 709 N MET A 72 4.235 6.350 5.702 1.00 0.00 N ATOM 710 CA MET A 72 5.315 6.028 4.762 1.00 0.00 C ATOM 711 C MET A 72 6.038 7.275 4.237 1.00 0.00 C ATOM 712 O MET A 72 7.084 7.160 3.598 1.00 0.00 O ATOM 713 CB MET A 72 4.813 5.210 3.551 1.00 0.00 C ATOM 714 CG MET A 72 3.657 4.267 3.841 1.00 0.00 C ATOM 715 SD MET A 72 3.481 2.871 2.706 1.00 0.00 S ATOM 716 CE MET A 72 1.671 2.853 2.621 1.00 0.00 C ATOM 0 H MET A 72 3.321 6.021 5.391 1.00 0.00 H new ATOM 0 HA MET A 72 6.018 5.428 5.341 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.508 5.903 2.767 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.646 4.628 3.156 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.775 3.877 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 72 2.731 4.842 3.827 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.314 1.825 2.677 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.262 3.425 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.346 3.298 1.681 1.00 0.00 H new ATOM 726 N GLY A 73 5.464 8.464 4.441 1.00 0.00 N ATOM 727 CA GLY A 73 5.911 9.677 3.789 1.00 0.00 C ATOM 728 C GLY A 73 5.211 9.809 2.445 1.00 0.00 C ATOM 729 O GLY A 73 5.735 10.475 1.554 1.00 0.00 O ATOM 0 H GLY A 73 4.672 8.602 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.691 10.542 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.992 9.652 3.649 1.00 0.00 H new ATOM 733 N LEU A 74 4.051 9.160 2.269 1.00 0.00 N ATOM 734 CA LEU A 74 3.215 9.367 1.103 1.00 0.00 C ATOM 735 C LEU A 74 2.792 10.832 1.079 1.00 0.00 C ATOM 736 O LEU A 74 2.427 11.393 2.117 1.00 0.00 O ATOM 737 CB LEU A 74 2.000 8.449 1.205 1.00 0.00 C ATOM 738 CG LEU A 74 1.017 8.433 0.029 1.00 0.00 C ATOM 739 CD1 LEU A 74 -0.031 9.530 0.192 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.653 8.504 -1.348 1.00 0.00 C ATOM 0 H LEU A 74 3.677 8.483 2.934 1.00 0.00 H new ATOM 0 HA LEU A 74 3.750 9.134 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.361 7.431 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.445 8.725 2.102 1.00 0.00 H new ATOM 0 HG LEU A 74 0.545 7.451 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.720 9.503 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.584 9.370 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.462 10.502 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.874 8.486 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.227 9.427 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.316 7.650 -1.487 1.00 0.00 H new ATOM 752 N ASN A 75 2.765 11.433 -0.104 1.00 0.00 N ATOM 753 CA ASN A 75 2.373 12.822 -0.287 1.00 0.00 C ATOM 754 C ASN A 75 0.872 12.929 -0.552 1.00 0.00 C ATOM 755 O ASN A 75 0.451 12.999 -1.708 1.00 0.00 O ATOM 756 CB ASN A 75 3.178 13.408 -1.447 1.00 0.00 C ATOM 757 CG ASN A 75 3.237 14.921 -1.385 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.255 15.601 -1.090 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.397 15.474 -1.672 1.00 0.00 N ATOM 0 H ASN A 75 3.018 10.963 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 75 2.583 13.387 0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.190 13.004 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.730 13.100 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.497 16.489 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.196 14.887 -1.913 1.00 0.00 H new ATOM 766 N THR A 76 0.015 12.931 0.468 1.00 0.00 N ATOM 767 CA THR A 76 -1.432 12.988 0.267 1.00 0.00 C ATOM 768 C THR A 76 -1.863 14.243 -0.500 1.00 0.00 C ATOM 769 O THR A 76 -2.968 14.276 -1.039 1.00 0.00 O ATOM 770 CB THR A 76 -2.113 12.950 1.636 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.581 13.977 2.447 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.831 11.625 2.341 1.00 0.00 C ATOM 0 H THR A 76 0.300 12.894 1.447 1.00 0.00 H new ATOM 0 HA THR A 76 -1.731 12.131 -0.337 1.00 0.00 H new ATOM 0 HB THR A 76 -3.186 13.073 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.015 13.958 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.324 11.618 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.211 10.802 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.756 11.508 2.479 1.00 0.00 H new ATOM 780 N ALA A 77 -0.998 15.259 -0.570 1.00 0.00 N ATOM 781 CA ALA A 77 -1.272 16.503 -1.247 1.00 0.00 C ATOM 782 C ALA A 77 -0.794 16.508 -2.701 1.00 0.00 C ATOM 783 O ALA A 77 -1.212 17.391 -3.445 1.00 0.00 O ATOM 784 CB ALA A 77 -0.563 17.610 -0.486 1.00 0.00 C ATOM 0 H ALA A 77 -0.072 15.226 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.352 16.648 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.751 18.566 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.937 17.646 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.509 17.414 -0.474 1.00 0.00 H new ATOM 790 N SER A 78 0.081 15.581 -3.110 1.00 0.00 N ATOM 791 CA SER A 78 0.433 15.452 -4.517 1.00 0.00 C ATOM 792 C SER A 78 -0.763 14.924 -5.312 1.00 0.00 C ATOM 793 O SER A 78 -0.869 15.247 -6.490 1.00 0.00 O ATOM 794 CB SER A 78 1.637 14.532 -4.738 1.00 0.00 C ATOM 795 OG SER A 78 2.866 15.147 -4.389 1.00 0.00 O ATOM 0 H SER A 78 0.550 14.920 -2.490 1.00 0.00 H new ATOM 0 HA SER A 78 0.708 16.447 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.509 13.624 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.671 14.230 -5.785 1.00 0.00 H new ATOM 0 HG SER A 78 3.607 14.653 -4.799 1.00 0.00 H new ATOM 801 N VAL A 79 -1.652 14.121 -4.712 1.00 0.00 N ATOM 802 CA VAL A 79 -2.726 13.466 -5.433 1.00 0.00 C ATOM 803 C VAL A 79 -3.933 14.386 -5.347 1.00 0.00 C ATOM 804 O VAL A 79 -4.428 14.648 -4.247 1.00 0.00 O ATOM 805 CB VAL A 79 -3.021 12.101 -4.791 1.00 0.00 C ATOM 806 CG1 VAL A 79 -4.106 11.330 -5.554 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.786 11.197 -4.717 1.00 0.00 C ATOM 0 H VAL A 79 -1.638 13.914 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.463 13.285 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.359 12.339 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.283 10.372 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.029 11.910 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.778 11.160 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.057 10.248 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.407 11.015 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.014 11.684 -4.121 1.00 0.00 H new ATOM 817 N ALA A 80 -4.421 14.840 -6.498 1.00 0.00 N ATOM 818 CA ALA A 80 -5.748 15.410 -6.603 1.00 0.00 C ATOM 819 C ALA A 80 -6.761 14.351 -6.156 1.00 0.00 C ATOM 820 O ALA A 80 -7.025 13.376 -6.871 1.00 0.00 O ATOM 821 CB ALA A 80 -5.979 15.882 -8.035 1.00 0.00 C ATOM 0 H ALA A 80 -3.905 14.820 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.865 16.281 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.977 16.312 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.236 16.636 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.890 15.036 -8.716 1.00 0.00 H new ATOM 827 N GLY A 81 -7.277 14.505 -4.939 1.00 0.00 N ATOM 828 CA GLY A 81 -8.281 13.615 -4.391 1.00 0.00 C ATOM 829 C GLY A 81 -7.697 12.513 -3.514 1.00 0.00 C ATOM 830 O GLY A 81 -8.140 11.377 -3.620 1.00 0.00 O ATOM 0 H GLY A 81 -7.004 15.257 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.992 14.198 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.839 13.161 -5.210 1.00 0.00 H new ATOM 834 N MET A 82 -6.741 12.810 -2.622 1.00 0.00 N ATOM 835 CA MET A 82 -6.402 11.883 -1.529 1.00 0.00 C ATOM 836 C MET A 82 -6.634 12.496 -0.157 1.00 0.00 C ATOM 837 O MET A 82 -7.076 11.823 0.774 1.00 0.00 O ATOM 838 CB MET A 82 -4.959 11.395 -1.643 1.00 0.00 C ATOM 839 CG MET A 82 -4.707 10.283 -0.624 1.00 0.00 C ATOM 840 SD MET A 82 -3.120 9.447 -0.800 1.00 0.00 S ATOM 841 CE MET A 82 -3.302 8.532 -2.350 1.00 0.00 C ATOM 0 H MET A 82 -6.195 13.671 -2.633 1.00 0.00 H new ATOM 0 HA MET A 82 -7.074 11.031 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.768 11.027 -2.651 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.271 12.222 -1.470 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.770 10.706 0.379 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.503 9.544 -0.709 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.324 8.187 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.955 7.674 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.737 9.183 -3.108 1.00 0.00 H new ATOM 851 N ASN A 83 -6.361 13.786 -0.028 1.00 0.00 N ATOM 852 CA ASN A 83 -6.529 14.618 1.152 1.00 0.00 C ATOM 853 C ASN A 83 -7.988 14.787 1.621 1.00 0.00 C ATOM 854 O ASN A 83 -8.274 15.636 2.465 1.00 0.00 O ATOM 855 CB ASN A 83 -5.840 15.967 0.885 1.00 0.00 C ATOM 856 CG ASN A 83 -6.300 16.681 -0.386 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.203 16.140 -1.484 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.772 17.904 -0.282 1.00 0.00 N ATOM 0 H ASN A 83 -5.985 14.321 -0.811 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.057 14.107 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.015 16.623 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.764 15.804 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.061 18.412 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.849 18.345 0.635 1.00 0.00 H new ATOM 865 N LEU A 84 -8.913 13.980 1.103 1.00 0.00 N ATOM 866 CA LEU A 84 -10.344 13.967 1.377 1.00 0.00 C ATOM 867 C LEU A 84 -10.845 12.552 1.730 1.00 0.00 C ATOM 868 O LEU A 84 -12.030 12.389 2.010 1.00 0.00 O ATOM 869 CB LEU A 84 -11.165 14.619 0.241 1.00 0.00 C ATOM 870 CG LEU A 84 -10.673 14.433 -1.205 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.417 15.278 -1.465 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.454 12.958 -1.560 1.00 0.00 C ATOM 0 H LEU A 84 -8.657 13.261 0.426 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.504 14.586 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.182 14.232 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.219 15.689 0.440 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.461 14.791 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.086 15.131 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.647 16.331 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.625 14.972 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.107 12.879 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.707 12.530 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.392 12.414 -1.451 1.00 0.00 H new ATOM 884 N LEU A 85 -9.978 11.531 1.768 1.00 0.00 N ATOM 885 CA LEU A 85 -10.296 10.192 2.275 1.00 0.00 C ATOM 886 C LEU A 85 -9.941 10.108 3.755 1.00 0.00 C ATOM 887 O LEU A 85 -9.159 10.926 4.251 1.00 0.00 O ATOM 888 CB LEU A 85 -9.462 9.156 1.512 1.00 0.00 C ATOM 889 CG LEU A 85 -10.089 8.820 0.148 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.984 8.528 -0.859 1.00 0.00 C ATOM 891 CD2 LEU A 85 -11.008 7.599 0.273 1.00 0.00 C ATOM 0 H LEU A 85 -9.016 11.616 1.440 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.360 9.997 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.452 9.538 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.376 8.247 2.108 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.679 9.671 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.427 8.290 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.343 9.404 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.391 7.681 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.445 7.372 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.430 6.743 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.803 7.814 0.987 1.00 0.00 H new ATOM 903 N ALA A 86 -10.468 9.096 4.448 1.00 0.00 N ATOM 904 CA ALA A 86 -10.136 8.839 5.839 1.00 0.00 C ATOM 905 C ALA A 86 -8.741 8.240 6.004 1.00 0.00 C ATOM 906 O ALA A 86 -8.138 7.666 5.094 1.00 0.00 O ATOM 907 CB ALA A 86 -11.162 7.895 6.464 1.00 0.00 C ATOM 0 H ALA A 86 -11.137 8.435 4.054 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.152 9.803 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.900 7.712 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.152 8.348 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.167 6.951 5.920 1.00 0.00 H new ATOM 913 N ASP A 87 -8.274 8.317 7.242 1.00 0.00 N ATOM 914 CA ASP A 87 -7.087 7.676 7.791 1.00 0.00 C ATOM 915 C ASP A 87 -7.322 6.234 8.219 1.00 0.00 C ATOM 916 O ASP A 87 -6.385 5.535 8.590 1.00 0.00 O ATOM 917 CB ASP A 87 -6.628 8.507 8.982 1.00 0.00 C ATOM 918 CG ASP A 87 -7.538 8.299 10.186 1.00 0.00 C ATOM 919 OD1 ASP A 87 -8.717 8.711 10.093 1.00 0.00 O ATOM 920 OD2 ASP A 87 -7.088 7.711 11.192 1.00 0.00 O ATOM 0 H ASP A 87 -8.755 8.876 7.947 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.327 7.632 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.606 8.236 9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.618 9.562 8.709 1.00 0.00 H new ATOM 926 N ASP A 88 -8.547 5.768 8.052 1.00 0.00 N ATOM 927 CA ASP A 88 -8.967 4.382 8.087 1.00 0.00 C ATOM 928 C ASP A 88 -10.074 4.269 7.041 1.00 0.00 C ATOM 929 O ASP A 88 -11.258 4.137 7.341 1.00 0.00 O ATOM 930 CB ASP A 88 -9.398 3.970 9.497 1.00 0.00 C ATOM 931 CG ASP A 88 -10.059 2.591 9.492 1.00 0.00 C ATOM 932 OD1 ASP A 88 -9.541 1.670 8.819 1.00 0.00 O ATOM 933 OD2 ASP A 88 -11.096 2.424 10.175 1.00 0.00 O ATOM 0 H ASP A 88 -9.331 6.397 7.875 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.159 3.690 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.530 3.958 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.093 4.708 9.898 1.00 0.00 H new ATOM 939 N ALA A 89 -9.666 4.400 5.779 1.00 0.00 N ATOM 940 CA ALA A 89 -10.426 4.024 4.603 1.00 0.00 C ATOM 941 C ALA A 89 -9.512 3.174 3.739 1.00 0.00 C ATOM 942 O ALA A 89 -8.294 3.348 3.797 1.00 0.00 O ATOM 943 CB ALA A 89 -10.906 5.258 3.819 1.00 0.00 C ATOM 0 H ALA A 89 -8.753 4.790 5.546 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.320 3.474 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.472 4.936 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.543 5.870 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.044 5.843 3.498 1.00 0.00 H new ATOM 949 N CYS A 90 -10.093 2.337 2.880 1.00 0.00 N ATOM 950 CA CYS A 90 -9.386 1.824 1.720 1.00 0.00 C ATOM 951 C CYS A 90 -9.211 2.986 0.744 1.00 0.00 C ATOM 952 O CYS A 90 -10.130 3.313 -0.014 1.00 0.00 O ATOM 953 CB CYS A 90 -10.163 0.676 1.069 1.00 0.00 C ATOM 954 SG CYS A 90 -10.197 -0.855 2.027 1.00 0.00 S ATOM 0 H CYS A 90 -11.052 2.003 2.971 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.416 1.422 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.188 1.002 0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.725 0.468 0.093 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.463 -0.717 3.091 1.00 0.00 H new ATOM 960 N VAL A 91 -8.056 3.639 0.797 1.00 0.00 N ATOM 961 CA VAL A 91 -7.562 4.514 -0.250 1.00 0.00 C ATOM 962 C VAL A 91 -7.197 3.596 -1.428 1.00 0.00 C ATOM 963 O VAL A 91 -6.438 2.639 -1.229 1.00 0.00 O ATOM 964 CB VAL A 91 -6.330 5.294 0.268 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.738 6.220 -0.803 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.655 6.136 1.515 1.00 0.00 C ATOM 0 H VAL A 91 -7.422 3.570 1.593 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.300 5.255 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.597 4.531 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.876 6.746 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.426 5.628 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.491 6.944 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.759 6.665 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.435 6.858 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.002 5.482 2.315 1.00 0.00 H new ATOM 976 N PRO A 92 -7.690 3.850 -2.654 1.00 0.00 N ATOM 977 CA PRO A 92 -7.259 3.134 -3.848 1.00 0.00 C ATOM 978 C PRO A 92 -5.904 3.690 -4.279 1.00 0.00 C ATOM 979 O PRO A 92 -5.790 4.334 -5.323 1.00 0.00 O ATOM 980 CB PRO A 92 -8.360 3.380 -4.883 1.00 0.00 C ATOM 981 CG PRO A 92 -8.842 4.782 -4.524 1.00 0.00 C ATOM 982 CD PRO A 92 -8.659 4.875 -3.009 1.00 0.00 C ATOM 0 HA PRO A 92 -7.125 2.062 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.977 3.331 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.160 2.644 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.261 5.546 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.884 4.928 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.303 5.864 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.605 4.713 -2.492 1.00 0.00 H new ATOM 990 N LEU A 93 -4.868 3.503 -3.459 1.00 0.00 N ATOM 991 CA LEU A 93 -3.548 4.063 -3.704 1.00 0.00 C ATOM 992 C LEU A 93 -3.093 3.639 -5.091 1.00 0.00 C ATOM 993 O LEU A 93 -2.694 4.501 -5.858 1.00 0.00 O ATOM 994 CB LEU A 93 -2.556 3.650 -2.600 1.00 0.00 C ATOM 995 CG LEU A 93 -1.274 4.496 -2.555 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.565 4.276 -1.218 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.246 4.120 -3.622 1.00 0.00 C ATOM 0 H LEU A 93 -4.927 2.954 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.590 5.152 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.056 3.718 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.283 2.605 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.603 5.523 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.345 4.876 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.225 4.573 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.308 3.222 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.630 4.761 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.050 3.079 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.684 4.251 -4.611 1.00 0.00 H new ATOM 1009 N THR A 94 -3.209 2.358 -5.437 1.00 0.00 N ATOM 1010 CA THR A 94 -2.689 1.848 -6.701 1.00 0.00 C ATOM 1011 C THR A 94 -3.458 2.373 -7.931 1.00 0.00 C ATOM 1012 O THR A 94 -2.990 2.215 -9.057 1.00 0.00 O ATOM 1013 CB THR A 94 -2.607 0.314 -6.636 1.00 0.00 C ATOM 1014 OG1 THR A 94 -3.856 -0.284 -6.339 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.647 -0.160 -5.533 1.00 0.00 C ATOM 0 H THR A 94 -3.661 1.653 -4.855 1.00 0.00 H new ATOM 0 HA THR A 94 -1.680 2.235 -6.841 1.00 0.00 H new ATOM 0 HB THR A 94 -2.260 0.015 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.754 -1.258 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.617 -1.250 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.647 0.228 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.995 0.205 -4.567 1.00 0.00 H new ATOM 1023 N THR A 95 -4.616 3.018 -7.754 1.00 0.00 N ATOM 1024 CA THR A 95 -5.359 3.676 -8.826 1.00 0.00 C ATOM 1025 C THR A 95 -5.035 5.176 -8.839 1.00 0.00 C ATOM 1026 O THR A 95 -4.867 5.781 -9.899 1.00 0.00 O ATOM 1027 CB THR A 95 -6.865 3.433 -8.609 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.112 2.121 -8.123 1.00 0.00 O ATOM 1029 CG2 THR A 95 -7.669 3.660 -9.889 1.00 0.00 C ATOM 0 H THR A 95 -5.069 3.097 -6.843 1.00 0.00 H new ATOM 0 HA THR A 95 -5.071 3.264 -9.793 1.00 0.00 H new ATOM 0 HB THR A 95 -7.191 4.157 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.075 1.996 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.726 3.478 -9.692 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.534 4.688 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.321 2.976 -10.663 1.00 0.00 H new ATOM 1037 N MET A 96 -4.975 5.783 -7.652 1.00 0.00 N ATOM 1038 CA MET A 96 -4.795 7.213 -7.474 1.00 0.00 C ATOM 1039 C MET A 96 -3.340 7.649 -7.677 1.00 0.00 C ATOM 1040 O MET A 96 -3.098 8.786 -8.081 1.00 0.00 O ATOM 1041 CB MET A 96 -5.312 7.605 -6.082 1.00 0.00 C ATOM 1042 CG MET A 96 -6.719 8.198 -6.196 1.00 0.00 C ATOM 1043 SD MET A 96 -7.726 8.197 -4.695 1.00 0.00 S ATOM 1044 CE MET A 96 -6.510 8.769 -3.499 1.00 0.00 C ATOM 0 H MET A 96 -5.053 5.276 -6.771 1.00 0.00 H new ATOM 0 HA MET A 96 -5.369 7.736 -8.239 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.328 6.731 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.638 8.330 -5.625 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.627 9.227 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.258 7.648 -6.968 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.021 9.211 -2.643 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.904 7.927 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.867 9.517 -3.963 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.382 6.766 -7.402 1.00 0.00 N ATOM 1055 CA VAL A 97 -0.970 6.918 -7.681 1.00 0.00 C ATOM 1056 C VAL A 97 -0.656 5.910 -8.787 1.00 0.00 C ATOM 1057 O VAL A 97 -0.571 4.710 -8.529 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.165 6.646 -6.397 1.00 0.00 C ATOM 1059 CG1 VAL A 97 1.327 6.865 -6.638 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.646 7.495 -5.209 1.00 0.00 C ATOM 0 H VAL A 97 -2.591 5.875 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.705 7.924 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.334 5.602 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.877 6.667 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.672 6.188 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.498 7.896 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.045 7.264 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.542 8.553 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.693 7.271 -5.002 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.534 6.372 -10.030 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.131 5.476 -11.111 1.00 0.00 C ATOM 1072 C GLN A 98 1.298 4.974 -10.848 1.00 0.00 C ATOM 1073 O GLN A 98 2.098 5.734 -10.303 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.248 6.199 -12.463 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.497 5.217 -13.619 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.913 4.641 -13.568 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -2.859 5.240 -14.075 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -2.104 3.495 -12.942 1.00 0.00 N ATOM 0 H GLN A 98 -0.704 7.338 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.792 4.610 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.063 6.922 -12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.666 6.761 -12.655 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.344 5.727 -14.570 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.229 4.406 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.314 3.004 -12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.042 3.100 -12.876 1.00 0.00 H new ATOM 1087 N ASP A 99 1.619 3.729 -11.236 1.00 0.00 N ATOM 1088 CA ASP A 99 2.871 2.964 -11.007 1.00 0.00 C ATOM 1089 C ASP A 99 2.854 2.280 -9.645 1.00 0.00 C ATOM 1090 O ASP A 99 3.547 1.280 -9.435 1.00 0.00 O ATOM 1091 CB ASP A 99 4.139 3.830 -11.071 1.00 0.00 C ATOM 1092 CG ASP A 99 5.341 3.218 -11.780 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.308 2.804 -11.104 1.00 0.00 O ATOM 1094 OD2 ASP A 99 5.429 3.399 -13.018 1.00 0.00 O ATOM 0 H ASP A 99 0.950 3.174 -11.769 1.00 0.00 H new ATOM 0 HA ASP A 99 2.905 2.234 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.889 4.767 -11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.434 4.080 -10.052 1.00 0.00 H new ATOM 1100 N ALA A 100 2.073 2.819 -8.701 1.00 0.00 N ATOM 1101 CA ALA A 100 2.016 2.243 -7.383 1.00 0.00 C ATOM 1102 C ALA A 100 1.329 0.897 -7.464 1.00 0.00 C ATOM 1103 O ALA A 100 0.299 0.733 -8.117 1.00 0.00 O ATOM 1104 CB ALA A 100 1.299 3.139 -6.389 1.00 0.00 C ATOM 0 H ALA A 100 1.485 3.642 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 100 3.037 2.127 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.284 2.658 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.821 4.093 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.276 3.310 -6.725 1.00 0.00 H new ATOM 1110 N THR A 101 1.903 -0.056 -6.753 1.00 0.00 N ATOM 1111 CA THR A 101 1.525 -1.457 -6.835 1.00 0.00 C ATOM 1112 C THR A 101 1.625 -2.081 -5.443 1.00 0.00 C ATOM 1113 O THR A 101 2.382 -1.573 -4.613 1.00 0.00 O ATOM 1114 CB THR A 101 2.400 -2.152 -7.904 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.725 -1.641 -7.988 1.00 0.00 O ATOM 1116 CG2 THR A 101 1.799 -1.989 -9.301 1.00 0.00 C ATOM 0 H THR A 101 2.658 0.124 -6.091 1.00 0.00 H new ATOM 0 HA THR A 101 0.490 -1.580 -7.155 1.00 0.00 H new ATOM 0 HB THR A 101 2.431 -3.194 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.708 -0.755 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.436 -2.488 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.804 -2.434 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.728 -0.929 -9.545 1.00 0.00 H new ATOM 1124 N ALA A 102 0.830 -3.126 -5.166 1.00 0.00 N ATOM 1125 CA ALA A 102 0.783 -3.861 -3.913 1.00 0.00 C ATOM 1126 C ALA A 102 0.703 -5.383 -4.133 1.00 0.00 C ATOM 1127 O ALA A 102 -0.370 -5.977 -4.004 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.396 -3.330 -3.083 1.00 0.00 C ATOM 0 H ALA A 102 0.171 -3.493 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 102 1.711 -3.699 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.448 -3.870 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.253 -2.267 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.324 -3.475 -3.635 1.00 0.00 H new ATOM 1134 N HIS A 103 1.834 -6.023 -4.433 1.00 0.00 N ATOM 1135 CA HIS A 103 1.953 -7.478 -4.581 1.00 0.00 C ATOM 1136 C HIS A 103 2.183 -8.079 -3.188 1.00 0.00 C ATOM 1137 O HIS A 103 3.182 -7.773 -2.535 1.00 0.00 O ATOM 1138 CB HIS A 103 3.103 -7.793 -5.570 1.00 0.00 C ATOM 1139 CG HIS A 103 3.904 -9.068 -5.382 1.00 0.00 C ATOM 1140 ND1 HIS A 103 3.461 -10.277 -4.925 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 5.230 -9.238 -5.721 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 4.527 -11.181 -4.946 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 5.574 -10.507 -5.445 1.00 0.00 N flip ATOM 0 H HIS A 103 2.716 -5.533 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 103 1.047 -7.921 -4.995 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.678 -7.816 -6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.802 -6.957 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.880 -8.482 -6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.511 -12.212 -4.626 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.502 -10.903 -5.594 1.00 0.00 H new ATOM 1152 N LEU A 104 1.267 -8.930 -2.713 1.00 0.00 N ATOM 1153 CA LEU A 104 1.498 -9.727 -1.510 1.00 0.00 C ATOM 1154 C LEU A 104 2.363 -10.914 -1.904 1.00 0.00 C ATOM 1155 O LEU A 104 1.918 -11.814 -2.619 1.00 0.00 O ATOM 1156 CB LEU A 104 0.186 -10.159 -0.822 1.00 0.00 C ATOM 1157 CG LEU A 104 0.228 -11.479 -0.016 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.577 -11.238 1.445 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -0.972 -12.393 -0.326 1.00 0.00 C ATOM 0 H LEU A 104 0.357 -9.083 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 104 2.013 -9.123 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.125 -9.359 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.585 -10.251 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 104 1.065 -12.086 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.596 -12.190 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.557 -10.765 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.172 -10.586 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.896 -13.306 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.898 -11.875 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.973 -12.646 -1.386 1.00 0.00 H new ATOM 1171 N ASP A 105 3.569 -10.932 -1.362 1.00 0.00 N ATOM 1172 CA ASP A 105 4.478 -12.057 -1.392 1.00 0.00 C ATOM 1173 C ASP A 105 4.248 -12.897 -0.140 1.00 0.00 C ATOM 1174 O ASP A 105 4.836 -12.631 0.908 1.00 0.00 O ATOM 1175 CB ASP A 105 5.899 -11.501 -1.421 1.00 0.00 C ATOM 1176 CG ASP A 105 6.976 -12.528 -1.682 1.00 0.00 C ATOM 1177 OD1 ASP A 105 6.776 -13.726 -1.379 1.00 0.00 O ATOM 1178 OD2 ASP A 105 8.063 -12.087 -2.112 1.00 0.00 O ATOM 0 H ASP A 105 3.954 -10.127 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 105 4.316 -12.686 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.957 -10.731 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.104 -11.015 -0.467 1.00 0.00 H new ATOM 1184 N VAL A 106 3.363 -13.888 -0.200 1.00 0.00 N ATOM 1185 CA VAL A 106 3.226 -14.904 0.851 1.00 0.00 C ATOM 1186 C VAL A 106 4.426 -15.867 0.892 1.00 0.00 C ATOM 1187 O VAL A 106 4.541 -16.651 1.841 1.00 0.00 O ATOM 1188 CB VAL A 106 1.840 -15.583 0.720 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.741 -17.073 1.053 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.890 -14.861 1.672 1.00 0.00 C ATOM 0 H VAL A 106 2.717 -14.014 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 106 3.254 -14.432 1.833 1.00 0.00 H new ATOM 0 HB VAL A 106 1.602 -15.511 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.713 -17.409 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.398 -17.638 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.041 -17.235 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.100 -15.312 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.263 -14.947 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.828 -13.808 1.395 1.00 0.00 H new ATOM 1200 N GLY A 107 5.361 -15.795 -0.056 1.00 0.00 N ATOM 1201 CA GLY A 107 6.634 -16.477 0.079 1.00 0.00 C ATOM 1202 C GLY A 107 7.399 -15.873 1.256 1.00 0.00 C ATOM 1203 O GLY A 107 7.747 -16.595 2.189 1.00 0.00 O ATOM 0 H GLY A 107 5.254 -15.269 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.475 -17.543 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.214 -16.377 -0.838 1.00 0.00 H new ATOM 1207 N GLN A 108 7.611 -14.553 1.226 1.00 0.00 N ATOM 1208 CA GLN A 108 8.462 -13.822 2.170 1.00 0.00 C ATOM 1209 C GLN A 108 7.660 -13.098 3.262 1.00 0.00 C ATOM 1210 O GLN A 108 8.241 -12.513 4.173 1.00 0.00 O ATOM 1211 CB GLN A 108 9.332 -12.827 1.370 1.00 0.00 C ATOM 1212 CG GLN A 108 10.600 -12.345 2.098 1.00 0.00 C ATOM 1213 CD GLN A 108 11.706 -13.396 2.073 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.719 -14.365 2.834 1.00 0.00 O ATOM 1215 NE2 GLN A 108 12.659 -13.236 1.177 1.00 0.00 N ATOM 0 H GLN A 108 7.184 -13.947 0.525 1.00 0.00 H new ATOM 0 HA GLN A 108 9.091 -14.541 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.626 -13.297 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.724 -11.959 1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.960 -11.428 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.354 -12.101 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.640 -12.431 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.415 -13.917 1.110 1.00 0.00 H new ATOM 1224 N GLN A 109 6.330 -13.094 3.174 1.00 0.00 N ATOM 1225 CA GLN A 109 5.449 -12.214 3.924 1.00 0.00 C ATOM 1226 C GLN A 109 5.801 -10.750 3.659 1.00 0.00 C ATOM 1227 O GLN A 109 5.766 -9.926 4.568 1.00 0.00 O ATOM 1228 CB GLN A 109 5.381 -12.607 5.411 1.00 0.00 C ATOM 1229 CG GLN A 109 4.873 -14.042 5.545 1.00 0.00 C ATOM 1230 CD GLN A 109 4.508 -14.376 6.986 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.307 -14.931 7.734 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.334 -13.981 7.447 1.00 0.00 N ATOM 0 H GLN A 109 5.824 -13.728 2.555 1.00 0.00 H new ATOM 0 HA GLN A 109 4.427 -12.339 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.367 -12.517 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.720 -11.926 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.000 -14.181 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.638 -14.734 5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.671 -13.520 6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.091 -14.137 8.425 1.00 0.00 H new ATOM 1241 N ARG A 110 6.099 -10.410 2.402 1.00 0.00 N ATOM 1242 CA ARG A 110 6.487 -9.067 1.991 1.00 0.00 C ATOM 1243 C ARG A 110 5.381 -8.472 1.142 1.00 0.00 C ATOM 1244 O ARG A 110 5.130 -8.921 0.023 1.00 0.00 O ATOM 1245 CB ARG A 110 7.848 -9.098 1.294 1.00 0.00 C ATOM 1246 CG ARG A 110 8.354 -7.684 0.956 1.00 0.00 C ATOM 1247 CD ARG A 110 9.619 -7.694 0.079 1.00 0.00 C ATOM 1248 NE ARG A 110 9.504 -8.615 -1.070 1.00 0.00 N ATOM 1249 CZ ARG A 110 10.480 -9.398 -1.546 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.745 -9.141 -1.262 1.00 0.00 N ATOM 1251 NH2 ARG A 110 10.205 -10.460 -2.291 1.00 0.00 N ATOM 0 H ARG A 110 6.075 -11.077 1.630 1.00 0.00 H new ATOM 0 HA ARG A 110 6.612 -8.418 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.573 -9.599 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.773 -9.685 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.566 -7.135 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.564 -7.148 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.812 -6.685 -0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.476 -7.982 0.687 1.00 0.00 H new ATOM 0 HE ARG A 110 8.601 -8.658 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.984 -8.341 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.482 -9.743 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.236 -10.692 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.962 -11.045 -2.645 1.00 0.00 H new ATOM 1265 N LEU A 111 4.702 -7.449 1.645 1.00 0.00 N ATOM 1266 CA LEU A 111 3.791 -6.676 0.825 1.00 0.00 C ATOM 1267 C LEU A 111 4.650 -5.711 0.020 1.00 0.00 C ATOM 1268 O LEU A 111 5.013 -4.632 0.496 1.00 0.00 O ATOM 1269 CB LEU A 111 2.731 -6.002 1.693 1.00 0.00 C ATOM 1270 CG LEU A 111 1.595 -5.353 0.893 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.948 -6.309 -0.114 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.538 -4.836 1.868 1.00 0.00 C ATOM 0 H LEU A 111 4.768 -7.139 2.615 1.00 0.00 H new ATOM 0 HA LEU A 111 3.221 -7.296 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.307 -6.742 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.210 -5.241 2.309 1.00 0.00 H new ATOM 0 HG LEU A 111 2.025 -4.536 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.152 -5.790 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.699 -6.651 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.532 -7.167 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.275 -4.372 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.147 -5.667 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.987 -4.100 2.535 1.00 0.00 H new ATOM 1284 N ASN A 112 5.034 -6.167 -1.170 1.00 0.00 N ATOM 1285 CA ASN A 112 5.859 -5.443 -2.118 1.00 0.00 C ATOM 1286 C ASN A 112 5.058 -4.221 -2.528 1.00 0.00 C ATOM 1287 O ASN A 112 3.953 -4.373 -3.055 1.00 0.00 O ATOM 1288 CB ASN A 112 6.156 -6.270 -3.381 1.00 0.00 C ATOM 1289 CG ASN A 112 7.114 -7.438 -3.229 1.00 0.00 C ATOM 1290 OD1 ASN A 112 6.773 -8.452 -2.455 1.00 0.00 O flip ATOM 1291 ND2 ASN A 112 8.167 -7.474 -3.853 1.00 0.00 N flip ATOM 0 H ASN A 112 4.764 -7.091 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 112 6.815 -5.198 -1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.211 -6.654 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.558 -5.598 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.432 -6.692 -4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.779 -8.286 -3.774 1.00 0.00 H new ATOM 1298 N LEU A 113 5.581 -3.031 -2.250 1.00 0.00 N ATOM 1299 CA LEU A 113 4.892 -1.765 -2.439 1.00 0.00 C ATOM 1300 C LEU A 113 5.795 -0.869 -3.287 1.00 0.00 C ATOM 1301 O LEU A 113 7.003 -0.802 -3.051 1.00 0.00 O ATOM 1302 CB LEU A 113 4.532 -1.179 -1.046 1.00 0.00 C ATOM 1303 CG LEU A 113 3.043 -0.905 -0.775 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.529 0.329 -1.522 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.162 -2.110 -1.094 1.00 0.00 C ATOM 0 H LEU A 113 6.524 -2.921 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 113 3.948 -1.870 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.895 -1.867 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.079 -0.245 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 113 2.975 -0.707 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.473 0.477 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.094 1.206 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.653 0.183 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.121 -1.865 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.270 -2.371 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.466 -2.956 -0.478 1.00 0.00 H new ATOM 1317 N THR A 114 5.238 -0.147 -4.251 1.00 0.00 N ATOM 1318 CA THR A 114 5.955 0.898 -4.983 1.00 0.00 C ATOM 1319 C THR A 114 5.115 2.167 -4.927 1.00 0.00 C ATOM 1320 O THR A 114 3.889 2.069 -4.894 1.00 0.00 O ATOM 1321 CB THR A 114 6.219 0.466 -6.446 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.946 -0.750 -6.505 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.010 1.529 -7.221 1.00 0.00 C ATOM 0 H THR A 114 4.271 -0.268 -4.551 1.00 0.00 H new ATOM 0 HA THR A 114 6.929 1.077 -4.527 1.00 0.00 H new ATOM 0 HB THR A 114 5.238 0.336 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.095 -0.997 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.174 1.187 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.447 2.462 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.971 1.694 -6.735 1.00 0.00 H new ATOM 1331 N ILE A 115 5.766 3.333 -4.944 1.00 0.00 N ATOM 1332 CA ILE A 115 5.214 4.650 -5.232 1.00 0.00 C ATOM 1333 C ILE A 115 6.290 5.444 -5.978 1.00 0.00 C ATOM 1334 O ILE A 115 7.426 5.486 -5.501 1.00 0.00 O ATOM 1335 CB ILE A 115 4.790 5.357 -3.926 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.512 4.664 -3.425 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.595 6.874 -4.082 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.805 5.406 -2.319 1.00 0.00 C ATOM 0 H ILE A 115 6.765 3.379 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 115 4.319 4.570 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 115 5.594 5.265 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.825 4.541 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.767 3.665 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.298 7.303 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.530 7.329 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.819 7.067 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.914 4.853 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.473 5.506 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.516 6.396 -2.672 1.00 0.00 H new ATOM 1350 N PRO A 116 5.960 6.111 -7.094 1.00 0.00 N ATOM 1351 CA PRO A 116 6.877 7.006 -7.783 1.00 0.00 C ATOM 1352 C PRO A 116 7.224 8.227 -6.914 1.00 0.00 C ATOM 1353 O PRO A 116 6.378 8.717 -6.168 1.00 0.00 O ATOM 1354 CB PRO A 116 6.152 7.406 -9.066 1.00 0.00 C ATOM 1355 CG PRO A 116 4.674 7.208 -8.770 1.00 0.00 C ATOM 1356 CD PRO A 116 4.645 6.119 -7.707 1.00 0.00 C ATOM 0 HA PRO A 116 7.832 6.528 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.365 8.442 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.471 6.790 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.214 8.128 -8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.126 6.907 -9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.872 6.320 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.417 5.150 -8.150 1.00 0.00 H new ATOM 1364 N GLN A 117 8.446 8.758 -7.037 1.00 0.00 N ATOM 1365 CA GLN A 117 8.987 9.807 -6.155 1.00 0.00 C ATOM 1366 C GLN A 117 8.097 11.051 -6.065 1.00 0.00 C ATOM 1367 O GLN A 117 7.974 11.634 -4.991 1.00 0.00 O ATOM 1368 CB GLN A 117 10.402 10.218 -6.610 1.00 0.00 C ATOM 1369 CG GLN A 117 11.505 9.293 -6.081 1.00 0.00 C ATOM 1370 CD GLN A 117 11.591 9.325 -4.551 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.724 10.383 -3.949 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.514 8.185 -3.886 1.00 0.00 N ATOM 0 H GLN A 117 9.100 8.468 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 117 9.023 9.369 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.437 10.227 -7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.601 11.236 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.313 8.273 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.464 9.591 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.403 7.306 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.565 8.184 -2.867 1.00 0.00 H new ATOM 1381 N ALA A 118 7.435 11.417 -7.161 1.00 0.00 N ATOM 1382 CA ALA A 118 6.492 12.529 -7.241 1.00 0.00 C ATOM 1383 C ALA A 118 5.391 12.483 -6.164 1.00 0.00 C ATOM 1384 O ALA A 118 4.828 13.515 -5.774 1.00 0.00 O ATOM 1385 CB ALA A 118 5.866 12.461 -8.634 1.00 0.00 C ATOM 0 H ALA A 118 7.545 10.929 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 118 7.026 13.463 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.149 13.273 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.647 12.555 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.356 11.506 -8.757 1.00 0.00 H new ATOM 1391 N PHE A 119 5.067 11.287 -5.673 1.00 0.00 N ATOM 1392 CA PHE A 119 3.979 11.051 -4.755 1.00 0.00 C ATOM 1393 C PHE A 119 4.577 10.721 -3.379 1.00 0.00 C ATOM 1394 O PHE A 119 4.022 9.937 -2.612 1.00 0.00 O ATOM 1395 CB PHE A 119 3.140 9.926 -5.390 1.00 0.00 C ATOM 1396 CG PHE A 119 2.334 10.327 -6.622 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.956 10.464 -7.869 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.940 10.449 -6.561 1.00 0.00 C ATOM 1399 CE1 PHE A 119 2.207 10.686 -9.035 1.00 0.00 C ATOM 1400 CE2 PHE A 119 0.173 10.643 -7.728 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.808 10.739 -8.974 1.00 0.00 C ATOM 0 H PHE A 119 5.576 10.438 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 119 3.324 11.906 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.807 9.108 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.453 9.539 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 119 4.032 10.398 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.444 10.393 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.710 10.816 -9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.902 10.718 -7.662 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.226 10.852 -9.877 1.00 0.00 H new ATOM 1411 N MET A 120 5.673 11.385 -2.994 1.00 0.00 N ATOM 1412 CA MET A 120 6.339 11.214 -1.704 1.00 0.00 C ATOM 1413 C MET A 120 6.657 12.594 -1.123 1.00 0.00 C ATOM 1414 O MET A 120 6.716 13.588 -1.854 1.00 0.00 O ATOM 1415 CB MET A 120 7.581 10.319 -1.870 1.00 0.00 C ATOM 1416 CG MET A 120 7.204 8.922 -2.392 1.00 0.00 C ATOM 1417 SD MET A 120 8.043 7.541 -1.563 1.00 0.00 S ATOM 1418 CE MET A 120 7.267 7.635 0.083 1.00 0.00 C ATOM 0 H MET A 120 6.131 12.074 -3.590 1.00 0.00 H new ATOM 0 HA MET A 120 5.688 10.705 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.280 10.790 -2.561 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.093 10.225 -0.913 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.127 8.789 -2.286 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.428 8.876 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.592 6.788 0.687 1.00 0.00 H new ATOM 0 HE2 MET A 120 7.561 8.564 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 120 6.183 7.609 -0.024 1.00 0.00 H new ATOM 1428 N SER A 121 6.737 12.704 0.205 1.00 0.00 N ATOM 1429 CA SER A 121 6.929 13.990 0.861 1.00 0.00 C ATOM 1430 C SER A 121 8.407 14.363 0.808 1.00 0.00 C ATOM 1431 O SER A 121 8.716 15.522 0.524 1.00 0.00 O ATOM 1432 CB SER A 121 6.329 13.996 2.284 1.00 0.00 C ATOM 1433 OG SER A 121 7.225 13.663 3.331 1.00 0.00 O ATOM 0 H SER A 121 6.671 11.912 0.845 1.00 0.00 H new ATOM 0 HA SER A 121 6.380 14.766 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.920 14.987 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.494 13.296 2.309 1.00 0.00 H new ATOM 0 HG SER A 121 6.752 13.696 4.189 1.00 0.00 H new ATOM 1439 N ASN A 122 9.269 13.407 1.176 1.00 0.00 N ATOM 1440 CA ASN A 122 10.719 13.390 1.405 1.00 0.00 C ATOM 1441 C ASN A 122 10.945 12.427 2.594 1.00 0.00 C ATOM 1442 O ASN A 122 9.973 11.992 3.218 1.00 0.00 O ATOM 1443 CB ASN A 122 11.284 14.805 1.634 1.00 0.00 C ATOM 1444 CG ASN A 122 12.755 14.849 1.989 1.00 0.00 C ATOM 1445 OD1 ASN A 122 13.118 15.348 3.043 1.00 0.00 O ATOM 1446 ND2 ASN A 122 13.619 14.306 1.155 1.00 0.00 N ATOM 0 H ASN A 122 8.899 12.472 1.348 1.00 0.00 H new ATOM 0 HA ASN A 122 11.265 13.037 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 122 11.124 15.396 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 122 10.717 15.283 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 122 14.613 14.297 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 122 13.294 13.895 0.280 1.00 0.00 H new ATOM 1453 N ARG A 123 12.192 12.130 2.977 1.00 0.00 N ATOM 1454 CA ARG A 123 12.608 11.349 4.159 1.00 0.00 C ATOM 1455 C ARG A 123 12.281 9.874 4.029 1.00 0.00 C ATOM 1456 O ARG A 123 13.226 9.098 3.994 1.00 0.00 O ATOM 1457 CB ARG A 123 12.054 11.871 5.503 1.00 0.00 C ATOM 1458 CG ARG A 123 12.285 13.353 5.735 1.00 0.00 C ATOM 1459 CD ARG A 123 10.970 14.148 5.851 1.00 0.00 C ATOM 1460 NE ARG A 123 11.132 15.550 5.436 1.00 0.00 N ATOM 1461 CZ ARG A 123 12.060 16.408 5.883 1.00 0.00 C ATOM 1462 NH1 ARG A 123 12.807 16.128 6.941 1.00 0.00 N ATOM 1463 NH2 ARG A 123 12.233 17.561 5.254 1.00 0.00 N ATOM 0 H ARG A 123 12.996 12.448 2.436 1.00 0.00 H new ATOM 0 HA ARG A 123 13.690 11.483 4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.983 11.670 5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.516 11.311 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.868 13.488 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.878 13.757 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.205 13.674 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.616 14.114 6.881 1.00 0.00 H new ATOM 0 HE ARG A 123 10.475 15.904 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 123 12.682 15.244 7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 123 13.507 16.797 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.663 17.788 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.936 18.222 5.585 1.00 0.00 H new ATOM 1477 N ALA A 124 10.993 9.514 4.026 1.00 0.00 N ATOM 1478 CA ALA A 124 10.439 8.164 4.078 1.00 0.00 C ATOM 1479 C ALA A 124 11.280 7.247 4.981 1.00 0.00 C ATOM 1480 O ALA A 124 12.178 6.549 4.503 1.00 0.00 O ATOM 1481 CB ALA A 124 10.271 7.661 2.642 1.00 0.00 C ATOM 0 H ALA A 124 10.256 10.218 3.984 1.00 0.00 H new ATOM 0 HA ALA A 124 9.454 8.165 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.858 6.652 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.594 8.323 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.241 7.649 2.145 1.00 0.00 H new ATOM 1487 N ARG A 125 11.056 7.330 6.297 1.00 0.00 N ATOM 1488 CA ARG A 125 11.816 6.561 7.279 1.00 0.00 C ATOM 1489 C ARG A 125 11.505 5.088 7.115 1.00 0.00 C ATOM 1490 O ARG A 125 10.312 4.768 6.983 1.00 0.00 O ATOM 1491 CB ARG A 125 11.468 6.964 8.721 1.00 0.00 C ATOM 1492 CG ARG A 125 11.650 8.435 9.103 1.00 0.00 C ATOM 1493 CD ARG A 125 13.068 8.926 8.826 1.00 0.00 C ATOM 1494 NE ARG A 125 13.437 10.064 9.681 1.00 0.00 N ATOM 1495 CZ ARG A 125 14.404 10.947 9.418 1.00 0.00 C ATOM 1496 NH1 ARG A 125 15.056 10.917 8.257 1.00 0.00 N ATOM 1497 NH2 ARG A 125 14.709 11.857 10.334 1.00 0.00 N ATOM 0 H ARG A 125 10.343 7.933 6.707 1.00 0.00 H new ATOM 0 HA ARG A 125 12.872 6.765 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 125 10.428 6.694 8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 125 12.077 6.363 9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 125 10.940 9.045 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 125 11.421 8.566 10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 125 13.772 8.109 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 125 13.152 9.218 7.779 1.00 0.00 H new ATOM 0 HE ARG A 125 12.911 10.189 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 125 14.819 10.214 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.793 11.597 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.208 11.875 11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.445 12.539 10.150 1.00 0.00 H new TER 1511 ARG A 125