USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 103 HIS : no HD1:sc= -0.695 X(o=-0.33,f=-0.34) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.362 X(o=-0.33,f=-0.34) USER MOD Set 2.1: A 65 THR OG1 : rot 156:sc= 1.24 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -0.147 F(o=-0.15,f=1.1) USER MOD Set 3.1: A 63 CYS SG : rot -74:sc= 2.06 USER MOD Set 3.2: A 90 CYS SG : rot -43:sc= 1.35 USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 50 THR OG1 : rot 35:sc= 0.722 USER MOD Set 5.1: A 43 TYR OH : rot 34:sc= 1.25 USER MOD Set 5.2: A 46 THR OG1 : rot 180:sc= 1.14 USER MOD Set 6.1: A 40 ASN : amide:sc= 1.14 K(o=0.29,f=-7!) USER MOD Set 6.2: A 120 MET CE :methyl 155:sc= -0.854 (180deg=-1.52) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0824 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -154:sc= -0.507 (180deg=-1.13) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 56 SER OG : rot 32:sc= 1.2 USER MOD Single : A 58 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 150:sc= -0.0532 (180deg=-0.252) USER MOD Single : A 75 ASN : amide:sc= -0.821 K(o=-0.82,f=-3) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.409 USER MOD Single : A 78 SER OG : rot 167:sc= 0.00191 USER MOD Single : A 82 MET CE :methyl -140:sc= -3.45 (180deg=-6.06!) USER MOD Single : A 83 ASN : amide:sc= -0.572 K(o=-0.57,f=-4.1!) USER MOD Single : A 94 THR OG1 : rot 57:sc= 1.3 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 96 MET CE :methyl 167:sc= -0.0153 (180deg=-0.237) USER MOD Single : A 98 GLN : amide:sc= 0.371 X(o=0.37,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.085) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -2.690 -16.726 7.788 1.00 0.00 N ATOM 26 CA GLU A 27 -1.596 -15.914 8.297 1.00 0.00 C ATOM 27 C GLU A 27 -0.281 -16.686 8.165 1.00 0.00 C ATOM 28 O GLU A 27 -0.139 -17.756 8.759 1.00 0.00 O ATOM 29 CB GLU A 27 -1.915 -15.544 9.755 1.00 0.00 C ATOM 30 CG GLU A 27 -0.904 -14.573 10.398 1.00 0.00 C ATOM 31 CD GLU A 27 -0.037 -15.145 11.529 1.00 0.00 C ATOM 32 OE1 GLU A 27 -0.341 -16.212 12.120 1.00 0.00 O ATOM 33 OE2 GLU A 27 0.970 -14.494 11.875 1.00 0.00 O ATOM 0 HA GLU A 27 -1.483 -14.994 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.908 -15.096 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.953 -16.457 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.243 -14.199 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.453 -13.716 10.788 1.00 0.00 H new ATOM 41 N LEU A 28 0.669 -16.173 7.368 1.00 0.00 N ATOM 42 CA LEU A 28 2.043 -16.705 7.324 1.00 0.00 C ATOM 43 C LEU A 28 3.186 -15.667 7.132 1.00 0.00 C ATOM 44 O LEU A 28 4.077 -15.859 6.297 1.00 0.00 O ATOM 45 CB LEU A 28 2.138 -17.907 6.355 1.00 0.00 C ATOM 46 CG LEU A 28 1.620 -17.795 4.898 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.141 -18.145 4.768 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.856 -16.433 4.247 1.00 0.00 C ATOM 0 H LEU A 28 0.510 -15.385 6.740 1.00 0.00 H new ATOM 0 HA LEU A 28 2.235 -17.058 8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.189 -18.192 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.607 -18.737 6.821 1.00 0.00 H new ATOM 0 HG LEU A 28 2.220 -18.531 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.165 -18.049 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.021 -19.170 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.449 -17.466 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.463 -16.443 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.348 -15.661 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.925 -16.223 4.221 1.00 0.00 H new ATOM 60 N PRO A 29 3.282 -14.622 7.967 1.00 0.00 N ATOM 61 CA PRO A 29 4.213 -13.508 7.799 1.00 0.00 C ATOM 62 C PRO A 29 5.659 -13.892 8.123 1.00 0.00 C ATOM 63 O PRO A 29 5.906 -14.389 9.224 1.00 0.00 O ATOM 64 CB PRO A 29 3.748 -12.421 8.774 1.00 0.00 C ATOM 65 CG PRO A 29 2.936 -13.174 9.837 1.00 0.00 C ATOM 66 CD PRO A 29 2.398 -14.377 9.077 1.00 0.00 C ATOM 0 HA PRO A 29 4.209 -13.180 6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.595 -11.899 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.140 -11.670 8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.558 -13.476 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.131 -12.559 10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.349 -15.250 9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.385 -14.185 8.724 1.00 0.00 H new ATOM 74 N PRO A 30 6.630 -13.641 7.231 1.00 0.00 N ATOM 75 CA PRO A 30 8.024 -13.511 7.614 1.00 0.00 C ATOM 76 C PRO A 30 8.280 -12.142 8.262 1.00 0.00 C ATOM 77 O PRO A 30 9.013 -12.052 9.246 1.00 0.00 O ATOM 78 CB PRO A 30 8.796 -13.651 6.301 1.00 0.00 C ATOM 79 CG PRO A 30 7.845 -13.107 5.234 1.00 0.00 C ATOM 80 CD PRO A 30 6.452 -13.336 5.824 1.00 0.00 C ATOM 0 HA PRO A 30 8.327 -14.256 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.728 -13.086 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.059 -14.690 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.027 -12.050 5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.968 -13.631 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.830 -12.450 5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.947 -14.156 5.313 1.00 0.00 H new ATOM 88 N GLY A 31 7.688 -11.070 7.721 1.00 0.00 N ATOM 89 CA GLY A 31 8.079 -9.698 7.980 1.00 0.00 C ATOM 90 C GLY A 31 8.206 -8.972 6.650 1.00 0.00 C ATOM 91 O GLY A 31 7.399 -8.089 6.358 1.00 0.00 O ATOM 0 H GLY A 31 6.903 -11.146 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.339 -9.206 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.026 -9.670 8.519 1.00 0.00 H new ATOM 95 N THR A 32 9.160 -9.381 5.805 1.00 0.00 N ATOM 96 CA THR A 32 9.503 -8.627 4.601 1.00 0.00 C ATOM 97 C THR A 32 9.502 -9.552 3.383 1.00 0.00 C ATOM 98 O THR A 32 9.881 -10.725 3.448 1.00 0.00 O ATOM 99 CB THR A 32 10.837 -7.869 4.801 1.00 0.00 C ATOM 100 OG1 THR A 32 10.936 -7.362 6.119 1.00 0.00 O ATOM 101 CG2 THR A 32 11.091 -6.657 3.888 1.00 0.00 C ATOM 0 H THR A 32 9.707 -10.232 5.936 1.00 0.00 H new ATOM 0 HA THR A 32 8.746 -7.866 4.412 1.00 0.00 H new ATOM 0 HB THR A 32 11.571 -8.637 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.787 -6.888 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.058 -6.216 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.089 -6.979 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.306 -5.916 4.040 1.00 0.00 H new ATOM 109 N TYR A 33 9.006 -9.035 2.265 1.00 0.00 N ATOM 110 CA TYR A 33 9.001 -9.635 0.954 1.00 0.00 C ATOM 111 C TYR A 33 9.041 -8.514 -0.095 1.00 0.00 C ATOM 112 O TYR A 33 8.546 -7.410 0.131 1.00 0.00 O ATOM 113 CB TYR A 33 7.795 -10.578 0.825 1.00 0.00 C ATOM 114 CG TYR A 33 6.476 -9.968 0.381 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.937 -8.825 1.002 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.780 -10.565 -0.685 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.721 -8.277 0.560 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.612 -9.973 -1.182 1.00 0.00 C ATOM 119 CZ TYR A 33 4.073 -8.827 -0.557 1.00 0.00 C ATOM 120 OH TYR A 33 2.927 -8.258 -1.020 1.00 0.00 O ATOM 0 H TYR A 33 8.565 -8.115 2.261 1.00 0.00 H new ATOM 0 HA TYR A 33 9.882 -10.255 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.057 -11.365 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.637 -11.057 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.463 -8.365 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.147 -11.482 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.286 -7.435 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.121 -10.395 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 33 2.605 -8.758 -1.799 1.00 0.00 H new ATOM 130 N ARG A 34 9.650 -8.757 -1.255 1.00 0.00 N ATOM 131 CA ARG A 34 9.928 -7.704 -2.230 1.00 0.00 C ATOM 132 C ARG A 34 9.380 -8.167 -3.566 1.00 0.00 C ATOM 133 O ARG A 34 9.776 -9.231 -4.040 1.00 0.00 O ATOM 134 CB ARG A 34 11.434 -7.404 -2.209 1.00 0.00 C ATOM 135 CG ARG A 34 11.801 -6.116 -2.958 1.00 0.00 C ATOM 136 CD ARG A 34 12.035 -6.298 -4.454 1.00 0.00 C ATOM 137 NE ARG A 34 13.284 -7.038 -4.642 1.00 0.00 N ATOM 138 CZ ARG A 34 13.809 -7.480 -5.793 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.101 -7.456 -6.919 1.00 0.00 N ATOM 140 NH2 ARG A 34 15.051 -7.956 -5.819 1.00 0.00 N ATOM 0 H ARG A 34 9.963 -9.684 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 34 9.439 -6.757 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.768 -7.324 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.972 -8.242 -2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.003 -5.387 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.702 -5.695 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.203 -6.839 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.091 -5.329 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 34 13.818 -7.241 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.146 -7.098 -6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.513 -7.796 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.604 -7.985 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.450 -8.292 -6.695 1.00 0.00 H new ATOM 154 N VAL A 35 8.409 -7.433 -4.108 1.00 0.00 N ATOM 155 CA VAL A 35 7.495 -7.935 -5.135 1.00 0.00 C ATOM 156 C VAL A 35 7.105 -6.833 -6.114 1.00 0.00 C ATOM 157 O VAL A 35 7.411 -5.669 -5.857 1.00 0.00 O ATOM 158 CB VAL A 35 6.242 -8.531 -4.467 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.646 -9.755 -3.643 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.444 -7.533 -3.601 1.00 0.00 C ATOM 0 H VAL A 35 8.232 -6.464 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 35 8.006 -8.714 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 35 5.564 -8.813 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.763 -10.181 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.101 -10.499 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.362 -9.458 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.579 -8.036 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.081 -7.155 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.108 -6.701 -4.220 1.00 0.00 H new ATOM 170 N ASP A 36 6.394 -7.186 -7.191 1.00 0.00 N ATOM 171 CA ASP A 36 5.753 -6.228 -8.084 1.00 0.00 C ATOM 172 C ASP A 36 4.439 -5.856 -7.393 1.00 0.00 C ATOM 173 O ASP A 36 3.666 -6.732 -6.989 1.00 0.00 O ATOM 174 CB ASP A 36 5.483 -6.820 -9.487 1.00 0.00 C ATOM 175 CG ASP A 36 6.670 -6.745 -10.469 1.00 0.00 C ATOM 176 OD1 ASP A 36 6.541 -6.114 -11.549 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.739 -7.349 -10.205 1.00 0.00 O ATOM 0 H ASP A 36 6.249 -8.158 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 36 6.396 -5.365 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.191 -7.864 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.634 -6.297 -9.927 1.00 0.00 H new ATOM 183 N ILE A 37 4.205 -4.563 -7.200 1.00 0.00 N ATOM 184 CA ILE A 37 3.023 -4.009 -6.550 1.00 0.00 C ATOM 185 C ILE A 37 2.032 -3.662 -7.663 1.00 0.00 C ATOM 186 O ILE A 37 2.430 -3.183 -8.727 1.00 0.00 O ATOM 187 CB ILE A 37 3.432 -2.763 -5.726 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.493 -3.106 -4.649 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.206 -2.109 -5.064 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.317 -1.883 -4.232 1.00 0.00 C ATOM 0 H ILE A 37 4.860 -3.843 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 37 2.562 -4.713 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 37 3.876 -2.054 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.996 -3.522 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.161 -3.877 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.523 -1.237 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.498 -1.801 -5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.727 -2.826 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.046 -2.176 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.837 -1.481 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.655 -1.121 -3.821 1.00 0.00 H new ATOM 202 N TYR A 38 0.745 -3.909 -7.433 1.00 0.00 N ATOM 203 CA TYR A 38 -0.240 -4.051 -8.487 1.00 0.00 C ATOM 204 C TYR A 38 -1.592 -3.512 -8.034 1.00 0.00 C ATOM 205 O TYR A 38 -2.265 -4.132 -7.210 1.00 0.00 O ATOM 206 CB TYR A 38 -0.318 -5.537 -8.859 1.00 0.00 C ATOM 207 CG TYR A 38 -0.145 -5.739 -10.334 1.00 0.00 C ATOM 208 CD1 TYR A 38 -1.228 -5.481 -11.189 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.104 -6.134 -10.843 1.00 0.00 C ATOM 210 CE1 TYR A 38 -1.075 -5.643 -12.571 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.267 -6.295 -12.227 1.00 0.00 C ATOM 212 CZ TYR A 38 0.167 -6.063 -13.084 1.00 0.00 C ATOM 213 OH TYR A 38 0.289 -6.229 -14.419 1.00 0.00 O ATOM 0 H TYR A 38 0.358 -4.016 -6.495 1.00 0.00 H new ATOM 0 HA TYR A 38 0.050 -3.471 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.452 -6.090 -8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.280 -5.943 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.175 -5.159 -10.782 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.932 -6.312 -10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.902 -5.448 -13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.222 -6.593 -12.633 1.00 0.00 H new ATOM 0 HH TYR A 38 1.201 -6.520 -14.631 1.00 0.00 H new ATOM 223 N LEU A 39 -2.021 -2.374 -8.567 1.00 0.00 N ATOM 224 CA LEU A 39 -3.205 -1.662 -8.115 1.00 0.00 C ATOM 225 C LEU A 39 -4.216 -1.516 -9.242 1.00 0.00 C ATOM 226 O LEU A 39 -3.879 -1.066 -10.336 1.00 0.00 O ATOM 227 CB LEU A 39 -2.777 -0.317 -7.519 1.00 0.00 C ATOM 228 CG LEU A 39 -4.013 0.492 -7.096 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.869 1.042 -5.689 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.348 1.610 -8.082 1.00 0.00 C ATOM 0 H LEU A 39 -1.544 -1.913 -9.342 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.710 -2.232 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.129 -0.482 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.198 0.246 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.850 -0.207 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.763 1.608 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.742 0.218 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.998 1.696 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.229 2.149 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.505 2.298 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.549 1.181 -9.064 1.00 0.00 H new ATOM 242 N ASN A 40 -5.478 -1.856 -8.948 1.00 0.00 N ATOM 243 CA ASN A 40 -6.599 -1.871 -9.896 1.00 0.00 C ATOM 244 C ASN A 40 -6.251 -2.620 -11.172 1.00 0.00 C ATOM 245 O ASN A 40 -6.690 -2.249 -12.261 1.00 0.00 O ATOM 246 CB ASN A 40 -7.110 -0.448 -10.196 1.00 0.00 C ATOM 247 CG ASN A 40 -7.828 0.227 -9.048 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.380 -0.424 -8.168 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.896 1.542 -9.053 1.00 0.00 N ATOM 0 H ASN A 40 -5.756 -2.139 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.414 -2.414 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.263 0.172 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.784 -0.493 -11.051 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.412 2.029 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.433 2.074 -9.790 1.00 0.00 H new ATOM 256 N ASN A 41 -5.498 -3.718 -11.036 1.00 0.00 N ATOM 257 CA ASN A 41 -4.972 -4.448 -12.177 1.00 0.00 C ATOM 258 C ASN A 41 -4.217 -3.477 -13.081 1.00 0.00 C ATOM 259 O ASN A 41 -4.571 -3.248 -14.245 1.00 0.00 O ATOM 260 CB ASN A 41 -6.077 -5.249 -12.866 1.00 0.00 C ATOM 261 CG ASN A 41 -6.311 -6.547 -12.131 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.623 -7.524 -12.395 1.00 0.00 O ATOM 263 ND2 ASN A 41 -7.214 -6.579 -11.170 1.00 0.00 N ATOM 0 H ASN A 41 -5.242 -4.117 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.249 -5.201 -11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.997 -4.666 -12.892 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.799 -5.452 -13.900 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.351 -7.432 -10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.775 -5.751 -10.969 1.00 0.00 H new ATOM 270 N GLY A 42 -3.195 -2.866 -12.496 1.00 0.00 N ATOM 271 CA GLY A 42 -2.257 -1.963 -13.119 1.00 0.00 C ATOM 272 C GLY A 42 -0.969 -2.010 -12.310 1.00 0.00 C ATOM 273 O GLY A 42 -0.996 -1.800 -11.097 1.00 0.00 O ATOM 0 H GLY A 42 -2.992 -3.003 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.071 -2.256 -14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.658 -0.950 -13.142 1.00 0.00 H new ATOM 277 N TYR A 43 0.144 -2.373 -12.940 1.00 0.00 N ATOM 278 CA TYR A 43 1.431 -2.458 -12.265 1.00 0.00 C ATOM 279 C TYR A 43 1.866 -1.071 -11.792 1.00 0.00 C ATOM 280 O TYR A 43 1.733 -0.089 -12.526 1.00 0.00 O ATOM 281 CB TYR A 43 2.463 -3.063 -13.227 1.00 0.00 C ATOM 282 CG TYR A 43 3.892 -2.977 -12.729 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.242 -3.472 -11.458 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.865 -2.355 -13.527 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.537 -3.268 -10.956 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.170 -2.175 -13.042 1.00 0.00 C ATOM 287 CZ TYR A 43 6.501 -2.598 -11.741 1.00 0.00 C ATOM 288 OH TYR A 43 7.743 -2.334 -11.259 1.00 0.00 O ATOM 0 H TYR A 43 0.177 -2.616 -13.930 1.00 0.00 H new ATOM 0 HA TYR A 43 1.349 -3.100 -11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.212 -4.109 -13.402 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.392 -2.553 -14.188 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.513 -4.009 -10.869 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.608 -2.013 -14.519 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.796 -3.623 -9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.920 -1.712 -13.667 1.00 0.00 H new ATOM 0 HH TYR A 43 8.023 -3.058 -10.661 1.00 0.00 H new ATOM 298 N MET A 44 2.412 -1.006 -10.580 1.00 0.00 N ATOM 299 CA MET A 44 2.986 0.194 -10.000 1.00 0.00 C ATOM 300 C MET A 44 4.505 0.062 -10.045 1.00 0.00 C ATOM 301 O MET A 44 5.113 0.332 -11.081 1.00 0.00 O ATOM 302 CB MET A 44 2.410 0.424 -8.584 1.00 0.00 C ATOM 303 CG MET A 44 0.929 0.810 -8.624 1.00 0.00 C ATOM 304 SD MET A 44 0.671 2.335 -9.570 1.00 0.00 S ATOM 305 CE MET A 44 -1.045 2.087 -10.035 1.00 0.00 C ATOM 0 H MET A 44 2.466 -1.814 -9.960 1.00 0.00 H new ATOM 0 HA MET A 44 2.720 1.086 -10.568 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.533 -0.482 -7.991 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.976 1.210 -8.085 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.352 0.000 -9.071 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.558 0.943 -7.608 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.255 2.632 -10.955 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.229 1.024 -10.193 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.694 2.454 -9.240 1.00 0.00 H new ATOM 315 N ALA A 45 5.107 -0.361 -8.936 1.00 0.00 N ATOM 316 CA ALA A 45 6.548 -0.391 -8.700 1.00 0.00 C ATOM 317 C ALA A 45 6.951 -1.711 -8.032 1.00 0.00 C ATOM 318 O ALA A 45 6.078 -2.507 -7.681 1.00 0.00 O ATOM 319 CB ALA A 45 6.920 0.810 -7.824 1.00 0.00 C ATOM 0 H ALA A 45 4.576 -0.710 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 45 7.086 -0.328 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.994 0.805 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.645 1.732 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.386 0.748 -6.876 1.00 0.00 H new ATOM 325 N THR A 46 8.247 -1.938 -7.825 1.00 0.00 N ATOM 326 CA THR A 46 8.793 -3.202 -7.336 1.00 0.00 C ATOM 327 C THR A 46 9.775 -2.948 -6.194 1.00 0.00 C ATOM 328 O THR A 46 10.966 -2.715 -6.425 1.00 0.00 O ATOM 329 CB THR A 46 9.416 -3.975 -8.503 1.00 0.00 C ATOM 330 OG1 THR A 46 8.410 -4.209 -9.465 1.00 0.00 O ATOM 331 CG2 THR A 46 10.027 -5.320 -8.106 1.00 0.00 C ATOM 0 H THR A 46 8.963 -1.232 -7.997 1.00 0.00 H new ATOM 0 HA THR A 46 7.997 -3.823 -6.925 1.00 0.00 H new ATOM 0 HB THR A 46 10.232 -3.363 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.790 -4.702 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.446 -5.804 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.816 -5.159 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.255 -5.957 -7.675 1.00 0.00 H new ATOM 339 N ARG A 47 9.272 -2.957 -4.957 1.00 0.00 N ATOM 340 CA ARG A 47 10.008 -2.547 -3.760 1.00 0.00 C ATOM 341 C ARG A 47 9.597 -3.424 -2.568 1.00 0.00 C ATOM 342 O ARG A 47 8.752 -4.305 -2.728 1.00 0.00 O ATOM 343 CB ARG A 47 9.742 -1.053 -3.492 1.00 0.00 C ATOM 344 CG ARG A 47 10.040 -0.063 -4.631 1.00 0.00 C ATOM 345 CD ARG A 47 11.541 0.029 -4.913 1.00 0.00 C ATOM 346 NE ARG A 47 11.816 0.682 -6.197 1.00 0.00 N ATOM 347 CZ ARG A 47 12.819 0.374 -7.028 1.00 0.00 C ATOM 348 NH1 ARG A 47 13.711 -0.552 -6.692 1.00 0.00 N ATOM 349 NH2 ARG A 47 12.942 0.993 -8.196 1.00 0.00 N ATOM 0 H ARG A 47 8.318 -3.257 -4.756 1.00 0.00 H new ATOM 0 HA ARG A 47 11.079 -2.681 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.693 -0.942 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.333 -0.756 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.517 -0.377 -5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.657 0.923 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.028 0.584 -4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.972 -0.972 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 47 11.189 1.435 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.634 -1.033 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.473 -0.782 -7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.269 1.710 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.710 0.752 -8.823 1.00 0.00 H new ATOM 363 N ASP A 48 10.257 -3.268 -1.413 1.00 0.00 N ATOM 364 CA ASP A 48 9.941 -3.904 -0.134 1.00 0.00 C ATOM 365 C ASP A 48 8.530 -3.476 0.299 1.00 0.00 C ATOM 366 O ASP A 48 8.171 -2.306 0.121 1.00 0.00 O ATOM 367 CB ASP A 48 10.993 -3.466 0.875 1.00 0.00 C ATOM 368 CG ASP A 48 10.830 -3.949 2.287 1.00 0.00 C ATOM 369 OD1 ASP A 48 11.928 -4.142 2.836 1.00 0.00 O ATOM 370 OD2 ASP A 48 9.709 -4.043 2.835 1.00 0.00 O ATOM 0 H ASP A 48 11.072 -2.659 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 48 9.953 -4.991 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.966 -3.798 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.014 -2.376 0.891 1.00 0.00 H new ATOM 376 N VAL A 49 7.741 -4.396 0.852 1.00 0.00 N ATOM 377 CA VAL A 49 6.375 -4.186 1.318 1.00 0.00 C ATOM 378 C VAL A 49 6.194 -4.881 2.680 1.00 0.00 C ATOM 379 O VAL A 49 5.697 -6.002 2.758 1.00 0.00 O ATOM 380 CB VAL A 49 5.445 -4.753 0.227 1.00 0.00 C ATOM 381 CG1 VAL A 49 3.985 -4.522 0.591 1.00 0.00 C ATOM 382 CG2 VAL A 49 5.706 -4.207 -1.186 1.00 0.00 C ATOM 0 H VAL A 49 8.055 -5.356 0.993 1.00 0.00 H new ATOM 0 HA VAL A 49 6.139 -3.133 1.474 1.00 0.00 H new ATOM 0 HB VAL A 49 5.672 -5.819 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.346 -4.930 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.763 -5.018 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.800 -3.452 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.006 -4.661 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.572 -3.125 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.726 -4.447 -1.486 1.00 0.00 H new ATOM 392 N THR A 50 6.746 -4.336 3.762 1.00 0.00 N ATOM 393 CA THR A 50 6.828 -5.005 5.071 1.00 0.00 C ATOM 394 C THR A 50 5.400 -5.245 5.598 1.00 0.00 C ATOM 395 O THR A 50 4.573 -4.330 5.529 1.00 0.00 O ATOM 396 CB THR A 50 7.648 -4.093 5.991 1.00 0.00 C ATOM 397 OG1 THR A 50 9.001 -4.080 5.562 1.00 0.00 O ATOM 398 CG2 THR A 50 7.651 -4.585 7.436 1.00 0.00 C ATOM 0 H THR A 50 7.157 -3.403 3.760 1.00 0.00 H new ATOM 0 HA THR A 50 7.315 -5.978 5.013 1.00 0.00 H new ATOM 0 HB THR A 50 7.191 -3.105 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.035 -4.134 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.244 -3.907 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.628 -4.614 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.082 -5.585 7.479 1.00 0.00 H new ATOM 406 N PHE A 51 5.065 -6.441 6.102 1.00 0.00 N ATOM 407 CA PHE A 51 3.708 -6.829 6.440 1.00 0.00 C ATOM 408 C PHE A 51 3.714 -7.725 7.684 1.00 0.00 C ATOM 409 O PHE A 51 4.640 -8.503 7.909 1.00 0.00 O ATOM 410 CB PHE A 51 3.025 -7.492 5.223 1.00 0.00 C ATOM 411 CG PHE A 51 3.633 -8.775 4.696 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.978 -8.837 4.283 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.821 -9.913 4.585 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.553 -10.054 3.893 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.391 -11.140 4.195 1.00 0.00 C ATOM 416 CZ PHE A 51 4.752 -11.200 3.879 1.00 0.00 C ATOM 0 H PHE A 51 5.751 -7.173 6.286 1.00 0.00 H new ATOM 0 HA PHE A 51 3.120 -5.945 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.987 -7.695 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.010 -6.767 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.573 -7.936 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.764 -9.849 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.594 -10.106 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.781 -12.029 4.140 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.193 -12.151 3.619 1.00 0.00 H new ATOM 426 N ASN A 52 2.684 -7.569 8.514 1.00 0.00 N ATOM 427 CA ASN A 52 2.532 -8.120 9.865 1.00 0.00 C ATOM 428 C ASN A 52 1.039 -8.114 10.190 1.00 0.00 C ATOM 429 O ASN A 52 0.260 -7.522 9.442 1.00 0.00 O ATOM 430 CB ASN A 52 3.285 -7.292 10.924 1.00 0.00 C ATOM 431 CG ASN A 52 3.257 -5.808 10.623 1.00 0.00 C ATOM 432 OD1 ASN A 52 2.341 -5.081 11.002 1.00 0.00 O ATOM 433 ND2 ASN A 52 4.261 -5.341 9.909 1.00 0.00 N ATOM 0 H ASN A 52 1.873 -7.014 8.242 1.00 0.00 H new ATOM 0 HA ASN A 52 2.954 -9.125 9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.841 -7.470 11.903 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.320 -7.630 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.292 -4.353 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.008 -5.967 9.608 1.00 0.00 H new ATOM 440 N THR A 53 0.626 -8.782 11.270 1.00 0.00 N ATOM 441 CA THR A 53 -0.778 -8.967 11.613 1.00 0.00 C ATOM 442 C THR A 53 -1.490 -7.622 11.802 1.00 0.00 C ATOM 443 O THR A 53 -0.905 -6.648 12.288 1.00 0.00 O ATOM 444 CB THR A 53 -0.896 -9.895 12.833 1.00 0.00 C ATOM 445 OG1 THR A 53 0.099 -9.624 13.804 1.00 0.00 O ATOM 446 CG2 THR A 53 -0.744 -11.351 12.387 1.00 0.00 C ATOM 0 H THR A 53 1.268 -9.213 11.936 1.00 0.00 H new ATOM 0 HA THR A 53 -1.292 -9.454 10.784 1.00 0.00 H new ATOM 0 HB THR A 53 -1.875 -9.721 13.278 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.011 -10.233 14.564 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.828 -12.007 13.253 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.527 -11.595 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.231 -11.489 11.921 1.00 0.00 H new ATOM 454 N GLY A 54 -2.750 -7.557 11.391 1.00 0.00 N ATOM 455 CA GLY A 54 -3.589 -6.378 11.361 1.00 0.00 C ATOM 456 C GLY A 54 -5.006 -6.882 11.240 1.00 0.00 C ATOM 457 O GLY A 54 -5.506 -7.505 12.183 1.00 0.00 O ATOM 0 H GLY A 54 -3.240 -8.384 11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.461 -5.785 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.330 -5.735 10.520 1.00 0.00 H new ATOM 461 N ASP A 55 -5.642 -6.645 10.099 1.00 0.00 N ATOM 462 CA ASP A 55 -6.980 -7.140 9.850 1.00 0.00 C ATOM 463 C ASP A 55 -7.155 -7.363 8.352 1.00 0.00 C ATOM 464 O ASP A 55 -7.116 -6.412 7.567 1.00 0.00 O ATOM 465 CB ASP A 55 -8.012 -6.159 10.419 1.00 0.00 C ATOM 466 CG ASP A 55 -9.280 -6.884 10.852 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.936 -6.365 11.786 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.545 -8.020 10.392 1.00 0.00 O ATOM 0 H ASP A 55 -5.244 -6.108 9.329 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.136 -8.095 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.584 -5.630 11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.257 -5.409 9.668 1.00 0.00 H new ATOM 474 N SER A 56 -7.227 -8.627 7.936 1.00 0.00 N ATOM 475 CA SER A 56 -7.453 -9.083 6.571 1.00 0.00 C ATOM 476 C SER A 56 -7.693 -10.596 6.589 1.00 0.00 C ATOM 477 O SER A 56 -7.572 -11.234 7.638 1.00 0.00 O ATOM 478 CB SER A 56 -6.229 -8.735 5.706 1.00 0.00 C ATOM 479 OG SER A 56 -6.343 -7.413 5.227 1.00 0.00 O ATOM 0 H SER A 56 -7.122 -9.406 8.586 1.00 0.00 H new ATOM 0 HA SER A 56 -8.327 -8.590 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.316 -8.842 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.154 -9.430 4.869 1.00 0.00 H new ATOM 0 HG SER A 56 -6.826 -6.868 5.883 1.00 0.00 H new ATOM 485 N GLU A 57 -7.949 -11.179 5.416 1.00 0.00 N ATOM 486 CA GLU A 57 -8.004 -12.615 5.152 1.00 0.00 C ATOM 487 C GLU A 57 -6.806 -13.334 5.782 1.00 0.00 C ATOM 488 O GLU A 57 -6.975 -14.161 6.674 1.00 0.00 O ATOM 489 CB GLU A 57 -8.026 -12.796 3.626 1.00 0.00 C ATOM 490 CG GLU A 57 -7.967 -14.253 3.147 1.00 0.00 C ATOM 491 CD GLU A 57 -9.190 -15.034 3.607 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.059 -15.969 4.430 1.00 0.00 O ATOM 493 OE2 GLU A 57 -10.301 -14.698 3.131 1.00 0.00 O ATOM 0 H GLU A 57 -8.134 -10.628 4.578 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.897 -13.054 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.933 -12.336 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.183 -12.254 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.904 -14.279 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.064 -14.728 3.530 1.00 0.00 H new ATOM 501 N GLN A 58 -5.591 -13.002 5.335 1.00 0.00 N ATOM 502 CA GLN A 58 -4.355 -13.572 5.864 1.00 0.00 C ATOM 503 C GLN A 58 -4.033 -13.033 7.267 1.00 0.00 C ATOM 504 O GLN A 58 -2.957 -13.310 7.775 1.00 0.00 O ATOM 505 CB GLN A 58 -3.190 -13.339 4.867 1.00 0.00 C ATOM 506 CG GLN A 58 -3.382 -14.108 3.549 1.00 0.00 C ATOM 507 CD GLN A 58 -2.091 -14.325 2.739 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.258 -15.168 3.050 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.899 -13.651 1.620 1.00 0.00 N ATOM 0 H GLN A 58 -5.440 -12.323 4.589 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.493 -14.647 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.106 -12.273 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.252 -13.646 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.823 -15.080 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.097 -13.567 2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.572 -12.942 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.078 -13.840 1.046 1.00 0.00 H new ATOM 518 N GLY A 59 -4.874 -12.209 7.897 1.00 0.00 N ATOM 519 CA GLY A 59 -4.577 -11.526 9.152 1.00 0.00 C ATOM 520 C GLY A 59 -3.591 -10.379 8.934 1.00 0.00 C ATOM 521 O GLY A 59 -3.804 -9.267 9.410 1.00 0.00 O ATOM 0 H GLY A 59 -5.804 -11.995 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.499 -11.140 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.161 -12.236 9.867 1.00 0.00 H new ATOM 525 N ILE A 60 -2.547 -10.617 8.142 1.00 0.00 N ATOM 526 CA ILE A 60 -1.490 -9.674 7.859 1.00 0.00 C ATOM 527 C ILE A 60 -1.933 -8.652 6.833 1.00 0.00 C ATOM 528 O ILE A 60 -2.744 -8.922 5.939 1.00 0.00 O ATOM 529 CB ILE A 60 -0.209 -10.385 7.369 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.446 -11.419 6.243 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.567 -10.976 8.546 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.785 -12.252 5.870 1.00 0.00 C ATOM 0 H ILE A 60 -2.418 -11.510 7.666 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.262 -9.161 8.793 1.00 0.00 H new ATOM 0 HB ILE A 60 0.406 -9.615 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.245 -12.094 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.796 -10.894 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.465 -11.472 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.849 -10.178 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.059 -11.700 9.068 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.525 -12.949 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.582 -11.591 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.125 -12.809 6.743 1.00 0.00 H new ATOM 544 N VAL A 61 -1.319 -7.488 6.966 1.00 0.00 N ATOM 545 CA VAL A 61 -1.535 -6.289 6.193 1.00 0.00 C ATOM 546 C VAL A 61 -0.159 -5.687 5.895 1.00 0.00 C ATOM 547 O VAL A 61 0.749 -5.815 6.723 1.00 0.00 O ATOM 548 CB VAL A 61 -2.393 -5.305 7.009 1.00 0.00 C ATOM 549 CG1 VAL A 61 -3.834 -5.805 7.171 1.00 0.00 C ATOM 550 CG2 VAL A 61 -1.790 -5.015 8.394 1.00 0.00 C ATOM 0 H VAL A 61 -0.600 -7.353 7.676 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.060 -6.504 5.262 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.405 -4.376 6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.407 -5.082 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.291 -5.923 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.830 -6.765 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.431 -4.316 8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.713 -5.944 8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.798 -4.579 8.275 1.00 0.00 H new ATOM 560 N PRO A 62 0.026 -5.033 4.743 1.00 0.00 N ATOM 561 CA PRO A 62 1.269 -4.357 4.422 1.00 0.00 C ATOM 562 C PRO A 62 1.334 -2.950 5.029 1.00 0.00 C ATOM 563 O PRO A 62 0.312 -2.308 5.294 1.00 0.00 O ATOM 564 CB PRO A 62 1.285 -4.343 2.896 1.00 0.00 C ATOM 565 CG PRO A 62 -0.197 -4.163 2.553 1.00 0.00 C ATOM 566 CD PRO A 62 -0.896 -4.995 3.618 1.00 0.00 C ATOM 0 HA PRO A 62 2.143 -4.858 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.895 -3.529 2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.687 -5.269 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.497 -3.116 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.425 -4.519 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.848 -4.548 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.113 -5.999 3.253 1.00 0.00 H new ATOM 574 N CYS A 63 2.560 -2.448 5.191 1.00 0.00 N ATOM 575 CA CYS A 63 2.870 -1.044 5.388 1.00 0.00 C ATOM 576 C CYS A 63 2.599 -0.353 4.057 1.00 0.00 C ATOM 577 O CYS A 63 3.278 -0.625 3.065 1.00 0.00 O ATOM 578 CB CYS A 63 4.337 -0.871 5.801 1.00 0.00 C ATOM 579 SG CYS A 63 5.001 0.813 5.713 1.00 0.00 S ATOM 0 H CYS A 63 3.392 -3.038 5.187 1.00 0.00 H new ATOM 0 HA CYS A 63 2.262 -0.613 6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.449 -1.230 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.949 -1.514 5.168 1.00 0.00 H new ATOM 0 HG CYS A 63 5.206 1.134 4.470 1.00 0.00 H new ATOM 585 N LEU A 64 1.609 0.535 4.027 1.00 0.00 N ATOM 586 CA LEU A 64 1.332 1.432 2.917 1.00 0.00 C ATOM 587 C LEU A 64 1.248 2.806 3.564 1.00 0.00 C ATOM 588 O LEU A 64 0.447 2.985 4.484 1.00 0.00 O ATOM 589 CB LEU A 64 0.012 1.077 2.203 1.00 0.00 C ATOM 590 CG LEU A 64 -0.236 -0.412 1.887 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.660 -0.600 1.364 1.00 0.00 C ATOM 592 CD2 LEU A 64 0.730 -1.013 0.855 1.00 0.00 C ATOM 0 H LEU A 64 0.957 0.651 4.803 1.00 0.00 H new ATOM 0 HA LEU A 64 2.099 1.372 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.813 1.434 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.026 1.633 1.266 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.071 -0.937 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.830 -1.654 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.372 -0.269 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.795 -0.012 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.483 -2.062 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.641 -0.470 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.752 -0.934 1.224 1.00 0.00 H new ATOM 604 N THR A 65 2.096 3.753 3.168 1.00 0.00 N ATOM 605 CA THR A 65 2.100 5.071 3.793 1.00 0.00 C ATOM 606 C THR A 65 1.418 6.081 2.884 1.00 0.00 C ATOM 607 O THR A 65 1.170 5.777 1.718 1.00 0.00 O ATOM 608 CB THR A 65 3.516 5.463 4.238 1.00 0.00 C ATOM 609 OG1 THR A 65 4.361 5.713 3.127 1.00 0.00 O ATOM 610 CG2 THR A 65 4.142 4.365 5.104 1.00 0.00 C ATOM 0 H THR A 65 2.783 3.633 2.424 1.00 0.00 H new ATOM 0 HA THR A 65 1.513 5.051 4.711 1.00 0.00 H new ATOM 0 HB THR A 65 3.422 6.378 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.095 6.302 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.145 4.667 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.528 4.207 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.199 3.439 4.532 1.00 0.00 H new ATOM 618 N ARG A 66 1.086 7.282 3.375 1.00 0.00 N ATOM 619 CA ARG A 66 0.346 8.263 2.571 1.00 0.00 C ATOM 620 C ARG A 66 1.070 8.530 1.255 1.00 0.00 C ATOM 621 O ARG A 66 0.438 8.554 0.201 1.00 0.00 O ATOM 622 CB ARG A 66 0.191 9.613 3.299 1.00 0.00 C ATOM 623 CG ARG A 66 -0.216 9.489 4.766 1.00 0.00 C ATOM 624 CD ARG A 66 -0.716 10.804 5.355 1.00 0.00 C ATOM 625 NE ARG A 66 0.229 11.922 5.256 1.00 0.00 N ATOM 626 CZ ARG A 66 0.072 13.076 5.912 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.033 13.307 6.615 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.021 13.994 5.842 1.00 0.00 N ATOM 0 H ARG A 66 1.316 7.596 4.318 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.640 7.833 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.134 10.156 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.555 10.212 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.997 8.735 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.637 9.138 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.641 11.083 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.961 10.646 6.405 1.00 0.00 H new ATOM 0 HE ARG A 66 1.047 11.813 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.768 12.601 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.145 14.190 7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.862 13.818 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.913 14.879 6.338 1.00 0.00 H new ATOM 642 N ALA A 67 2.386 8.730 1.334 1.00 0.00 N ATOM 643 CA ALA A 67 3.246 8.993 0.194 1.00 0.00 C ATOM 644 C ALA A 67 3.238 7.816 -0.781 1.00 0.00 C ATOM 645 O ALA A 67 3.095 8.012 -1.989 1.00 0.00 O ATOM 646 CB ALA A 67 4.666 9.256 0.686 1.00 0.00 C ATOM 0 H ALA A 67 2.891 8.712 2.220 1.00 0.00 H new ATOM 0 HA ALA A 67 2.871 9.869 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.316 9.454 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.667 10.120 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.032 8.382 1.226 1.00 0.00 H new ATOM 652 N GLN A 68 3.366 6.593 -0.269 1.00 0.00 N ATOM 653 CA GLN A 68 3.340 5.401 -1.099 1.00 0.00 C ATOM 654 C GLN A 68 1.967 5.246 -1.770 1.00 0.00 C ATOM 655 O GLN A 68 1.889 5.042 -2.975 1.00 0.00 O ATOM 656 CB GLN A 68 3.730 4.172 -0.262 1.00 0.00 C ATOM 657 CG GLN A 68 4.957 3.458 -0.845 1.00 0.00 C ATOM 658 CD GLN A 68 6.276 4.227 -0.704 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.487 4.983 0.363 1.00 0.00 O flip ATOM 660 NE2 GLN A 68 7.138 4.169 -1.577 1.00 0.00 N flip ATOM 0 H GLN A 68 3.490 6.406 0.726 1.00 0.00 H new ATOM 0 HA GLN A 68 4.074 5.495 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.940 4.480 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.890 3.478 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.063 2.490 -0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.778 3.263 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.988 3.591 -2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.003 4.699 -1.475 1.00 0.00 H new ATOM 669 N LEU A 69 0.875 5.416 -1.025 1.00 0.00 N ATOM 670 CA LEU A 69 -0.482 5.286 -1.549 1.00 0.00 C ATOM 671 C LEU A 69 -0.748 6.297 -2.654 1.00 0.00 C ATOM 672 O LEU A 69 -1.324 5.967 -3.695 1.00 0.00 O ATOM 673 CB LEU A 69 -1.520 5.467 -0.435 1.00 0.00 C ATOM 674 CG LEU A 69 -1.578 4.296 0.561 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.603 4.593 1.658 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.950 2.999 -0.155 1.00 0.00 C ATOM 0 H LEU A 69 0.909 5.650 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.571 4.281 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.297 6.384 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.504 5.596 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.592 4.176 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.638 3.759 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.316 5.501 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.587 4.731 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.986 2.183 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.927 3.111 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.203 2.777 -0.917 1.00 0.00 H new ATOM 688 N ALA A 70 -0.318 7.534 -2.427 1.00 0.00 N ATOM 689 CA ALA A 70 -0.334 8.590 -3.417 1.00 0.00 C ATOM 690 C ALA A 70 0.478 8.204 -4.650 1.00 0.00 C ATOM 691 O ALA A 70 0.049 8.476 -5.767 1.00 0.00 O ATOM 692 CB ALA A 70 0.270 9.836 -2.777 1.00 0.00 C ATOM 0 H ALA A 70 0.059 7.831 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.359 8.771 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.272 10.652 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.323 10.123 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.293 9.625 -2.465 1.00 0.00 H new ATOM 698 N SER A 71 1.605 7.511 -4.465 1.00 0.00 N ATOM 699 CA SER A 71 2.422 7.005 -5.553 1.00 0.00 C ATOM 700 C SER A 71 1.656 5.992 -6.407 1.00 0.00 C ATOM 701 O SER A 71 1.953 5.877 -7.599 1.00 0.00 O ATOM 702 CB SER A 71 3.738 6.435 -4.993 1.00 0.00 C ATOM 703 OG SER A 71 4.752 6.442 -5.982 1.00 0.00 O ATOM 0 H SER A 71 1.974 7.287 -3.541 1.00 0.00 H new ATOM 0 HA SER A 71 2.673 7.828 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.058 7.024 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.577 5.417 -4.639 1.00 0.00 H new ATOM 0 HG SER A 71 5.580 6.077 -5.605 1.00 0.00 H new ATOM 709 N MET A 72 0.656 5.294 -5.859 1.00 0.00 N ATOM 710 CA MET A 72 -0.211 4.423 -6.645 1.00 0.00 C ATOM 711 C MET A 72 -1.448 5.171 -7.157 1.00 0.00 C ATOM 712 O MET A 72 -2.254 4.587 -7.878 1.00 0.00 O ATOM 713 CB MET A 72 -0.642 3.174 -5.861 1.00 0.00 C ATOM 714 CG MET A 72 0.372 2.568 -4.897 1.00 0.00 C ATOM 715 SD MET A 72 2.080 2.376 -5.457 1.00 0.00 S ATOM 716 CE MET A 72 2.731 1.921 -3.834 1.00 0.00 C ATOM 0 H MET A 72 0.429 5.319 -4.865 1.00 0.00 H new ATOM 0 HA MET A 72 0.379 4.097 -7.502 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.538 3.425 -5.294 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.925 2.405 -6.580 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.384 3.184 -3.998 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.006 1.584 -4.605 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.588 1.259 -3.958 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.041 2.820 -3.301 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.957 1.409 -3.262 1.00 0.00 H new ATOM 726 N GLY A 73 -1.675 6.420 -6.736 1.00 0.00 N ATOM 727 CA GLY A 73 -2.693 7.303 -7.309 1.00 0.00 C ATOM 728 C GLY A 73 -3.847 7.587 -6.354 1.00 0.00 C ATOM 729 O GLY A 73 -4.903 8.061 -6.766 1.00 0.00 O ATOM 0 H GLY A 73 -1.148 6.851 -5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.227 8.246 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.086 6.851 -8.220 1.00 0.00 H new ATOM 733 N LEU A 74 -3.703 7.276 -5.068 1.00 0.00 N ATOM 734 CA LEU A 74 -4.777 7.518 -4.122 1.00 0.00 C ATOM 735 C LEU A 74 -4.852 9.016 -3.839 1.00 0.00 C ATOM 736 O LEU A 74 -3.850 9.672 -3.555 1.00 0.00 O ATOM 737 CB LEU A 74 -4.505 6.758 -2.829 1.00 0.00 C ATOM 738 CG LEU A 74 -5.536 7.096 -1.724 1.00 0.00 C ATOM 739 CD1 LEU A 74 -6.726 6.171 -1.598 1.00 0.00 C ATOM 740 CD2 LEU A 74 -4.788 7.257 -0.433 1.00 0.00 C ATOM 0 H LEU A 74 -2.862 6.861 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.724 7.174 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.526 5.687 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.503 6.996 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.022 8.026 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.371 6.516 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.286 6.169 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.380 5.161 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.489 7.496 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.269 6.328 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.061 8.064 -0.532 1.00 0.00 H new ATOM 752 N ASN A 75 -6.074 9.528 -3.749 1.00 0.00 N ATOM 753 CA ASN A 75 -6.351 10.796 -3.113 1.00 0.00 C ATOM 754 C ASN A 75 -6.384 10.646 -1.590 1.00 0.00 C ATOM 755 O ASN A 75 -7.442 10.445 -0.985 1.00 0.00 O ATOM 756 CB ASN A 75 -7.676 11.346 -3.632 1.00 0.00 C ATOM 757 CG ASN A 75 -7.848 12.833 -3.353 1.00 0.00 C ATOM 758 OD1 ASN A 75 -7.088 13.463 -2.614 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.824 13.436 -4.003 1.00 0.00 N ATOM 0 H ASN A 75 -6.903 9.065 -4.121 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.554 11.498 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.740 11.173 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.497 10.797 -3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.961 14.441 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.442 12.897 -4.610 1.00 0.00 H new ATOM 766 N THR A 76 -5.226 10.771 -0.944 1.00 0.00 N ATOM 767 CA THR A 76 -5.100 10.809 0.520 1.00 0.00 C ATOM 768 C THR A 76 -5.995 11.892 1.136 1.00 0.00 C ATOM 769 O THR A 76 -6.483 11.740 2.254 1.00 0.00 O ATOM 770 CB THR A 76 -3.618 11.058 0.892 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.206 12.380 0.583 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.602 10.134 0.226 1.00 0.00 C ATOM 0 H THR A 76 -4.331 10.850 -1.427 1.00 0.00 H new ATOM 0 HA THR A 76 -5.428 9.851 0.923 1.00 0.00 H new ATOM 0 HB THR A 76 -3.617 10.860 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.102 12.472 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.598 10.398 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.815 9.101 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.666 10.243 -0.857 1.00 0.00 H new ATOM 780 N ALA A 77 -6.276 12.963 0.390 1.00 0.00 N ATOM 781 CA ALA A 77 -7.130 14.050 0.814 1.00 0.00 C ATOM 782 C ALA A 77 -8.545 13.915 0.240 1.00 0.00 C ATOM 783 O ALA A 77 -9.274 14.903 0.145 1.00 0.00 O ATOM 784 CB ALA A 77 -6.440 15.373 0.492 1.00 0.00 C ATOM 0 H ALA A 77 -5.900 13.092 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.277 14.017 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.075 16.201 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.488 15.425 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.264 15.440 -0.582 1.00 0.00 H new ATOM 790 N SER A 78 -8.945 12.714 -0.170 1.00 0.00 N ATOM 791 CA SER A 78 -10.343 12.323 -0.240 1.00 0.00 C ATOM 792 C SER A 78 -10.678 11.656 1.089 1.00 0.00 C ATOM 793 O SER A 78 -11.620 12.082 1.756 1.00 0.00 O ATOM 794 CB SER A 78 -10.577 11.407 -1.448 1.00 0.00 C ATOM 795 OG SER A 78 -11.852 11.562 -2.027 1.00 0.00 O ATOM 0 H SER A 78 -8.299 11.981 -0.465 1.00 0.00 H new ATOM 0 HA SER A 78 -11.002 13.179 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.816 11.610 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.450 10.370 -1.138 1.00 0.00 H new ATOM 0 HG SER A 78 -11.871 11.118 -2.901 1.00 0.00 H new ATOM 801 N VAL A 79 -9.892 10.666 1.532 1.00 0.00 N ATOM 802 CA VAL A 79 -10.243 9.942 2.736 1.00 0.00 C ATOM 803 C VAL A 79 -9.824 10.790 3.927 1.00 0.00 C ATOM 804 O VAL A 79 -8.646 11.111 4.119 1.00 0.00 O ATOM 805 CB VAL A 79 -9.692 8.510 2.728 1.00 0.00 C ATOM 806 CG1 VAL A 79 -10.361 7.732 1.595 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.182 8.342 2.624 1.00 0.00 C ATOM 0 H VAL A 79 -9.030 10.361 1.079 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.320 9.789 2.802 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.932 8.123 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.978 6.712 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.439 7.712 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.144 8.217 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.933 7.281 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.829 8.793 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.702 8.832 3.471 1.00 0.00 H new ATOM 817 N ALA A 80 -10.809 11.241 4.696 1.00 0.00 N ATOM 818 CA ALA A 80 -10.515 11.877 5.959 1.00 0.00 C ATOM 819 C ALA A 80 -9.819 10.868 6.867 1.00 0.00 C ATOM 820 O ALA A 80 -10.050 9.669 6.739 1.00 0.00 O ATOM 821 CB ALA A 80 -11.807 12.371 6.576 1.00 0.00 C ATOM 0 H ALA A 80 -11.801 11.176 4.466 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.853 12.732 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.594 12.853 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.280 13.088 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.479 11.528 6.737 1.00 0.00 H new ATOM 827 N GLY A 81 -8.971 11.345 7.776 1.00 0.00 N ATOM 828 CA GLY A 81 -8.154 10.491 8.627 1.00 0.00 C ATOM 829 C GLY A 81 -6.723 10.434 8.109 1.00 0.00 C ATOM 830 O GLY A 81 -5.800 10.760 8.853 1.00 0.00 O ATOM 0 H GLY A 81 -8.833 12.342 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.162 10.871 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.576 9.487 8.657 1.00 0.00 H new ATOM 834 N MET A 82 -6.500 10.089 6.832 1.00 0.00 N ATOM 835 CA MET A 82 -5.151 10.051 6.273 1.00 0.00 C ATOM 836 C MET A 82 -4.445 11.410 6.403 1.00 0.00 C ATOM 837 O MET A 82 -3.263 11.463 6.727 1.00 0.00 O ATOM 838 CB MET A 82 -5.201 9.497 4.847 1.00 0.00 C ATOM 839 CG MET A 82 -3.830 8.989 4.414 1.00 0.00 C ATOM 840 SD MET A 82 -3.817 8.039 2.880 1.00 0.00 S ATOM 841 CE MET A 82 -4.970 6.710 3.311 1.00 0.00 C ATOM 0 H MET A 82 -7.236 9.834 6.174 1.00 0.00 H new ATOM 0 HA MET A 82 -4.531 9.367 6.852 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.928 8.687 4.792 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.539 10.275 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.162 9.843 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.421 8.368 5.211 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.602 5.765 2.912 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.053 6.638 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.950 6.926 2.885 1.00 0.00 H new ATOM 851 N ASN A 83 -5.192 12.509 6.308 1.00 0.00 N ATOM 852 CA ASN A 83 -4.690 13.883 6.455 1.00 0.00 C ATOM 853 C ASN A 83 -4.303 14.232 7.897 1.00 0.00 C ATOM 854 O ASN A 83 -4.042 15.407 8.172 1.00 0.00 O ATOM 855 CB ASN A 83 -5.734 14.895 5.952 1.00 0.00 C ATOM 856 CG ASN A 83 -6.275 14.450 4.619 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.604 14.584 3.600 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.439 13.815 4.609 1.00 0.00 N ATOM 0 H ASN A 83 -6.194 12.471 6.121 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.785 13.941 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.546 14.982 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.282 15.882 5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.798 13.423 3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.975 13.719 5.472 1.00 0.00 H new ATOM 865 N LEU A 84 -4.343 13.270 8.830 1.00 0.00 N ATOM 866 CA LEU A 84 -4.167 13.495 10.263 1.00 0.00 C ATOM 867 C LEU A 84 -2.999 12.648 10.769 1.00 0.00 C ATOM 868 O LEU A 84 -2.310 13.035 11.715 1.00 0.00 O ATOM 869 CB LEU A 84 -5.452 13.132 11.036 1.00 0.00 C ATOM 870 CG LEU A 84 -6.793 13.628 10.448 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.941 13.245 11.389 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.836 15.140 10.205 1.00 0.00 C ATOM 0 H LEU A 84 -4.503 12.290 8.598 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.955 14.551 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.501 12.046 11.120 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.360 13.526 12.048 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.898 13.144 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.885 13.596 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.974 12.161 11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.781 13.705 12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.807 15.415 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.681 15.665 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.051 15.418 9.502 1.00 0.00 H new ATOM 884 N LEU A 85 -2.749 11.514 10.107 1.00 0.00 N ATOM 885 CA LEU A 85 -1.637 10.603 10.343 1.00 0.00 C ATOM 886 C LEU A 85 -0.290 11.313 10.205 1.00 0.00 C ATOM 887 O LEU A 85 -0.218 12.445 9.716 1.00 0.00 O ATOM 888 CB LEU A 85 -1.763 9.447 9.331 1.00 0.00 C ATOM 889 CG LEU A 85 -2.700 8.338 9.844 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.688 7.864 8.790 1.00 0.00 C ATOM 891 CD2 LEU A 85 -1.897 7.116 10.252 1.00 0.00 C ATOM 0 H LEU A 85 -3.354 11.194 9.351 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.677 10.221 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.140 9.833 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.777 9.027 9.134 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.240 8.777 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.321 7.083 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.309 8.701 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.143 7.468 7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.573 6.340 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.341 6.742 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.200 7.387 11.045 1.00 0.00 H new ATOM 903 N ALA A 86 0.798 10.655 10.614 1.00 0.00 N ATOM 904 CA ALA A 86 2.125 11.073 10.193 1.00 0.00 C ATOM 905 C ALA A 86 2.252 10.852 8.688 1.00 0.00 C ATOM 906 O ALA A 86 1.422 10.182 8.065 1.00 0.00 O ATOM 907 CB ALA A 86 3.196 10.306 10.962 1.00 0.00 C ATOM 0 H ALA A 86 0.781 9.841 11.229 1.00 0.00 H new ATOM 0 HA ALA A 86 2.269 12.131 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.183 10.632 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.086 10.499 12.029 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.085 9.238 10.773 1.00 0.00 H new ATOM 913 N ASP A 87 3.298 11.416 8.103 1.00 0.00 N ATOM 914 CA ASP A 87 3.394 11.462 6.655 1.00 0.00 C ATOM 915 C ASP A 87 3.769 10.108 6.082 1.00 0.00 C ATOM 916 O ASP A 87 3.176 9.665 5.096 1.00 0.00 O ATOM 917 CB ASP A 87 4.343 12.566 6.219 1.00 0.00 C ATOM 918 CG ASP A 87 4.157 12.918 4.744 1.00 0.00 C ATOM 919 OD1 ASP A 87 2.987 12.927 4.285 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.151 13.370 4.135 1.00 0.00 O ATOM 0 H ASP A 87 4.080 11.842 8.601 1.00 0.00 H new ATOM 0 HA ASP A 87 2.412 11.703 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.175 13.453 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.372 12.251 6.391 1.00 0.00 H new ATOM 926 N ASP A 88 4.666 9.405 6.777 1.00 0.00 N ATOM 927 CA ASP A 88 5.077 8.054 6.394 1.00 0.00 C ATOM 928 C ASP A 88 4.527 7.041 7.367 1.00 0.00 C ATOM 929 O ASP A 88 5.156 6.054 7.744 1.00 0.00 O ATOM 930 CB ASP A 88 6.585 7.943 6.370 1.00 0.00 C ATOM 931 CG ASP A 88 7.028 6.780 5.467 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.473 6.646 4.345 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.879 5.986 5.921 1.00 0.00 O ATOM 0 H ASP A 88 5.126 9.755 7.618 1.00 0.00 H new ATOM 0 HA ASP A 88 4.684 7.854 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.018 8.876 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.960 7.788 7.382 1.00 0.00 H new ATOM 939 N ALA A 89 3.306 7.293 7.801 1.00 0.00 N ATOM 940 CA ALA A 89 2.697 6.414 8.753 1.00 0.00 C ATOM 941 C ALA A 89 2.170 5.204 8.005 1.00 0.00 C ATOM 942 O ALA A 89 1.612 5.394 6.930 1.00 0.00 O ATOM 943 CB ALA A 89 1.539 7.168 9.364 1.00 0.00 C ATOM 0 H ALA A 89 2.734 8.086 7.510 1.00 0.00 H new ATOM 0 HA ALA A 89 3.399 6.092 9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.041 6.536 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.909 8.070 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.831 7.442 8.582 1.00 0.00 H new ATOM 949 N CYS A 90 2.251 3.998 8.566 1.00 0.00 N ATOM 950 CA CYS A 90 1.493 2.858 8.063 1.00 0.00 C ATOM 951 C CYS A 90 0.004 3.219 8.185 1.00 0.00 C ATOM 952 O CYS A 90 -0.540 3.204 9.293 1.00 0.00 O ATOM 953 CB CYS A 90 1.819 1.608 8.887 1.00 0.00 C ATOM 954 SG CYS A 90 3.542 1.053 8.838 1.00 0.00 S ATOM 0 H CYS A 90 2.838 3.787 9.373 1.00 0.00 H new ATOM 0 HA CYS A 90 1.748 2.642 7.026 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.549 1.801 9.925 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.185 0.792 8.539 1.00 0.00 H new ATOM 0 HG CYS A 90 3.982 1.112 7.616 1.00 0.00 H new ATOM 960 N VAL A 91 -0.664 3.600 7.101 1.00 0.00 N ATOM 961 CA VAL A 91 -2.083 3.901 7.099 1.00 0.00 C ATOM 962 C VAL A 91 -2.787 2.609 6.660 1.00 0.00 C ATOM 963 O VAL A 91 -2.259 1.893 5.807 1.00 0.00 O ATOM 964 CB VAL A 91 -2.367 5.127 6.199 1.00 0.00 C ATOM 965 CG1 VAL A 91 -1.276 6.200 6.277 1.00 0.00 C ATOM 966 CG2 VAL A 91 -2.692 4.861 4.758 1.00 0.00 C ATOM 0 H VAL A 91 -0.224 3.709 6.187 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.463 4.191 8.079 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.292 5.494 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.536 7.032 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.191 6.558 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.324 5.774 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.868 5.806 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.857 4.342 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.587 4.241 4.695 1.00 0.00 H new ATOM 976 N PRO A 92 -3.949 2.268 7.224 1.00 0.00 N ATOM 977 CA PRO A 92 -4.694 1.140 6.705 1.00 0.00 C ATOM 978 C PRO A 92 -5.299 1.503 5.366 1.00 0.00 C ATOM 979 O PRO A 92 -5.616 2.674 5.117 1.00 0.00 O ATOM 980 CB PRO A 92 -5.797 0.864 7.686 1.00 0.00 C ATOM 981 CG PRO A 92 -6.065 2.240 8.290 1.00 0.00 C ATOM 982 CD PRO A 92 -4.714 2.962 8.244 1.00 0.00 C ATOM 0 HA PRO A 92 -4.049 0.271 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.682 0.458 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.493 0.142 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.821 2.781 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.434 2.157 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.838 4.016 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.212 2.920 9.210 1.00 0.00 H new ATOM 990 N LEU A 93 -5.583 0.479 4.570 1.00 0.00 N ATOM 991 CA LEU A 93 -6.290 0.674 3.331 1.00 0.00 C ATOM 992 C LEU A 93 -7.770 0.420 3.547 1.00 0.00 C ATOM 993 O LEU A 93 -8.555 1.364 3.524 1.00 0.00 O ATOM 994 CB LEU A 93 -5.658 -0.159 2.207 1.00 0.00 C ATOM 995 CG LEU A 93 -5.854 0.482 0.823 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.220 1.880 0.738 1.00 0.00 C ATOM 997 CD2 LEU A 93 -5.174 -0.409 -0.210 1.00 0.00 C ATOM 0 H LEU A 93 -5.331 -0.489 4.769 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.201 1.709 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.592 -0.278 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.096 -1.157 2.208 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.924 0.582 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.383 2.294 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.677 2.533 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.149 1.806 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.299 0.024 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.112 -0.488 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.625 -1.401 -0.188 1.00 0.00 H new ATOM 1009 N THR A 94 -8.144 -0.825 3.829 1.00 0.00 N ATOM 1010 CA THR A 94 -9.538 -1.268 3.819 1.00 0.00 C ATOM 1011 C THR A 94 -10.327 -0.664 4.996 1.00 0.00 C ATOM 1012 O THR A 94 -11.553 -0.565 4.963 1.00 0.00 O ATOM 1013 CB THR A 94 -9.534 -2.815 3.744 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.696 -3.344 3.133 1.00 0.00 O ATOM 1015 CG2 THR A 94 -9.334 -3.509 5.095 1.00 0.00 C ATOM 0 H THR A 94 -7.483 -1.563 4.073 1.00 0.00 H new ATOM 0 HA THR A 94 -10.075 -0.900 2.944 1.00 0.00 H new ATOM 0 HB THR A 94 -8.667 -3.030 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.794 -2.966 2.234 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.344 -4.590 4.954 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.377 -3.207 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.139 -3.224 5.773 1.00 0.00 H new ATOM 1023 N THR A 95 -9.620 -0.208 6.030 1.00 0.00 N ATOM 1024 CA THR A 95 -10.178 0.456 7.195 1.00 0.00 C ATOM 1025 C THR A 95 -10.511 1.907 6.843 1.00 0.00 C ATOM 1026 O THR A 95 -11.643 2.345 7.040 1.00 0.00 O ATOM 1027 CB THR A 95 -9.151 0.425 8.326 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.483 -0.822 8.389 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.754 0.678 9.703 1.00 0.00 C ATOM 0 H THR A 95 -8.605 -0.297 6.075 1.00 0.00 H new ATOM 0 HA THR A 95 -11.087 -0.055 7.512 1.00 0.00 H new ATOM 0 HB THR A 95 -8.459 1.232 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.832 -0.808 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.968 0.641 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.226 1.660 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.500 -0.087 9.920 1.00 0.00 H new ATOM 1037 N MET A 96 -9.518 2.664 6.357 1.00 0.00 N ATOM 1038 CA MET A 96 -9.626 4.082 6.099 1.00 0.00 C ATOM 1039 C MET A 96 -10.657 4.254 4.998 1.00 0.00 C ATOM 1040 O MET A 96 -11.647 4.974 5.142 1.00 0.00 O ATOM 1041 CB MET A 96 -8.235 4.586 5.674 1.00 0.00 C ATOM 1042 CG MET A 96 -8.181 6.083 5.394 1.00 0.00 C ATOM 1043 SD MET A 96 -8.312 7.144 6.848 1.00 0.00 S ATOM 1044 CE MET A 96 -6.767 6.774 7.714 1.00 0.00 C ATOM 0 H MET A 96 -8.599 2.284 6.131 1.00 0.00 H new ATOM 0 HA MET A 96 -9.943 4.654 6.971 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.517 4.347 6.458 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.921 4.047 4.780 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.244 6.307 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.987 6.337 4.706 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.603 7.514 8.497 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.828 5.781 8.160 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.938 6.804 7.007 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.381 3.585 3.885 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.089 3.766 2.639 1.00 0.00 C ATOM 1056 C VAL A 97 -12.243 2.772 2.560 1.00 0.00 C ATOM 1057 O VAL A 97 -12.115 1.614 2.954 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.087 3.583 1.489 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -10.748 4.059 0.182 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -8.745 4.280 1.831 1.00 0.00 C ATOM 0 H VAL A 97 -9.640 2.887 3.830 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.519 4.765 2.570 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.829 2.534 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.049 3.936 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.644 3.468 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -11.020 5.111 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.044 4.143 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.918 5.345 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.329 3.843 2.739 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.374 3.237 2.038 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.514 2.417 1.689 1.00 0.00 C ATOM 1072 C GLN A 98 -14.156 1.487 0.535 1.00 0.00 C ATOM 1073 O GLN A 98 -13.600 1.933 -0.471 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.657 3.370 1.322 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.788 2.804 0.459 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.834 3.351 -0.969 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.737 4.098 -1.340 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.868 3.030 -1.810 1.00 0.00 N ATOM 0 H GLN A 98 -13.520 4.227 1.843 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.819 1.781 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -16.094 3.746 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.229 4.226 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.686 1.720 0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.740 3.016 0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.115 2.411 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.875 3.401 -2.760 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.587 0.232 0.638 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.590 -0.839 -0.367 1.00 0.00 C ATOM 1089 C ASP A 99 -13.199 -1.326 -0.779 1.00 0.00 C ATOM 1090 O ASP A 99 -13.050 -2.488 -1.140 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.401 -0.424 -1.603 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.649 -1.620 -2.528 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -14.889 -1.791 -3.504 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -16.587 -2.401 -2.257 1.00 0.00 O ATOM 0 H ASP A 99 -14.985 -0.098 1.517 1.00 0.00 H new ATOM 0 HA ASP A 99 -15.068 -1.689 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.355 0.001 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.867 0.356 -2.147 1.00 0.00 H new ATOM 1100 N ALA A 100 -12.181 -0.467 -0.716 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.818 -0.743 -1.148 1.00 0.00 C ATOM 1102 C ALA A 100 -10.198 -1.906 -0.385 1.00 0.00 C ATOM 1103 O ALA A 100 -10.545 -2.184 0.765 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.972 0.503 -0.876 1.00 0.00 C ATOM 0 H ALA A 100 -12.292 0.477 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.844 -1.003 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.945 0.321 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.379 1.347 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.989 0.729 0.190 1.00 0.00 H new ATOM 1110 N THR A 101 -9.206 -2.535 -1.005 1.00 0.00 N ATOM 1111 CA THR A 101 -8.627 -3.781 -0.527 1.00 0.00 C ATOM 1112 C THR A 101 -7.143 -3.835 -0.854 1.00 0.00 C ATOM 1113 O THR A 101 -6.637 -3.079 -1.690 1.00 0.00 O ATOM 1114 CB THR A 101 -9.371 -4.981 -1.157 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.126 -5.018 -2.550 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.885 -4.947 -0.959 1.00 0.00 C ATOM 0 H THR A 101 -8.778 -2.189 -1.863 1.00 0.00 H new ATOM 0 HA THR A 101 -8.737 -3.832 0.556 1.00 0.00 H new ATOM 0 HB THR A 101 -8.986 -5.863 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.598 -5.781 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.333 -5.822 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.113 -4.952 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.291 -4.043 -1.413 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.472 -4.783 -0.210 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.128 -5.219 -0.488 1.00 0.00 C ATOM 1126 C ALA A 102 -5.138 -6.728 -0.314 1.00 0.00 C ATOM 1127 O ALA A 102 -5.821 -7.230 0.584 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.184 -4.527 0.497 1.00 0.00 C ATOM 0 H ALA A 102 -6.888 -5.294 0.569 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.787 -4.967 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.159 -4.844 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.259 -3.446 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.460 -4.797 1.516 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.416 -7.452 -1.162 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.181 -8.871 -0.992 1.00 0.00 C ATOM 1136 C HIS A 103 -2.782 -9.191 -1.464 1.00 0.00 C ATOM 1137 O HIS A 103 -2.215 -8.541 -2.338 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.302 -9.693 -1.668 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.064 -10.304 -3.035 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -5.902 -10.181 -4.117 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.130 -11.251 -3.368 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -5.460 -10.997 -5.087 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.355 -11.650 -4.690 1.00 0.00 N ATOM 0 H HIS A 103 -3.975 -7.061 -1.994 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.228 -9.157 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.565 -10.505 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.177 -9.048 -1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.352 -11.626 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.928 -11.113 -6.053 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.795 -12.302 -5.239 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.201 -10.219 -0.871 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.849 -10.645 -1.144 1.00 0.00 C ATOM 1154 C LEU A 104 -0.968 -11.939 -1.932 1.00 0.00 C ATOM 1155 O LEU A 104 -1.481 -12.928 -1.405 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.142 -10.820 0.205 1.00 0.00 C ATOM 1157 CG LEU A 104 0.977 -11.872 0.222 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.011 -11.651 -0.872 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.684 -11.784 1.550 1.00 0.00 C ATOM 0 H LEU A 104 -2.672 -10.791 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.263 -9.935 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.278 -9.860 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.885 -11.091 0.955 1.00 0.00 H new ATOM 0 HG LEU A 104 0.516 -12.846 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.777 -12.424 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.525 -11.698 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.473 -10.672 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.484 -12.523 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.106 -10.786 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.974 -11.979 2.354 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.529 -11.947 -3.187 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.332 -13.182 -3.929 1.00 0.00 C ATOM 1173 C ASP A 105 1.050 -13.722 -3.588 1.00 0.00 C ATOM 1174 O ASP A 105 2.044 -13.318 -4.192 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.431 -12.956 -5.450 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.640 -14.287 -6.182 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -0.121 -15.327 -5.703 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -1.346 -14.280 -7.219 1.00 0.00 O ATOM 0 H ASP A 105 -0.302 -11.103 -3.713 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.113 -13.889 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.258 -12.281 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.478 -12.475 -5.811 1.00 0.00 H new ATOM 1184 N VAL A 106 1.179 -14.545 -2.550 1.00 0.00 N ATOM 1185 CA VAL A 106 2.511 -14.980 -2.147 1.00 0.00 C ATOM 1186 C VAL A 106 3.068 -15.979 -3.161 1.00 0.00 C ATOM 1187 O VAL A 106 4.276 -16.004 -3.389 1.00 0.00 O ATOM 1188 CB VAL A 106 2.484 -15.500 -0.706 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.995 -16.938 -0.576 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.861 -15.370 -0.046 1.00 0.00 C ATOM 0 H VAL A 106 0.408 -14.912 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 106 3.200 -14.135 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 106 1.760 -14.869 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.005 -17.232 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.979 -17.013 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.651 -17.598 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.812 -15.747 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.592 -15.949 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.160 -14.322 -0.032 1.00 0.00 H new ATOM 1200 N GLY A 107 2.201 -16.761 -3.811 1.00 0.00 N ATOM 1201 CA GLY A 107 2.614 -17.839 -4.689 1.00 0.00 C ATOM 1202 C GLY A 107 3.062 -17.341 -6.061 1.00 0.00 C ATOM 1203 O GLY A 107 3.743 -18.078 -6.782 1.00 0.00 O ATOM 0 H GLY A 107 1.189 -16.656 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.431 -18.390 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.787 -18.539 -4.813 1.00 0.00 H new ATOM 1207 N GLN A 108 2.717 -16.101 -6.427 1.00 0.00 N ATOM 1208 CA GLN A 108 3.310 -15.406 -7.564 1.00 0.00 C ATOM 1209 C GLN A 108 4.196 -14.236 -7.144 1.00 0.00 C ATOM 1210 O GLN A 108 4.894 -13.680 -7.988 1.00 0.00 O ATOM 1211 CB GLN A 108 2.246 -15.023 -8.602 1.00 0.00 C ATOM 1212 CG GLN A 108 1.515 -16.253 -9.163 1.00 0.00 C ATOM 1213 CD GLN A 108 1.081 -16.045 -10.612 1.00 0.00 C ATOM 1214 OE1 GLN A 108 0.396 -15.083 -10.958 1.00 0.00 O ATOM 1215 NE2 GLN A 108 1.477 -16.912 -11.524 1.00 0.00 N ATOM 0 H GLN A 108 2.012 -15.552 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 108 3.985 -16.107 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.522 -14.348 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.718 -14.478 -9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.168 -17.123 -9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.640 -16.467 -8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.045 -17.714 -11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.215 -16.780 -12.501 1.00 0.00 H new ATOM 1224 N GLN A 109 4.296 -13.946 -5.844 1.00 0.00 N ATOM 1225 CA GLN A 109 4.948 -12.769 -5.290 1.00 0.00 C ATOM 1226 C GLN A 109 4.396 -11.494 -5.940 1.00 0.00 C ATOM 1227 O GLN A 109 5.032 -10.863 -6.788 1.00 0.00 O ATOM 1228 CB GLN A 109 6.483 -12.895 -5.360 1.00 0.00 C ATOM 1229 CG GLN A 109 7.099 -13.561 -4.123 1.00 0.00 C ATOM 1230 CD GLN A 109 8.585 -13.208 -4.018 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.322 -13.235 -4.995 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.057 -12.840 -2.838 1.00 0.00 N ATOM 0 H GLN A 109 3.907 -14.554 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 109 4.714 -12.695 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.752 -13.471 -6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.916 -11.902 -5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.575 -13.233 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.978 -14.642 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.440 -12.819 -2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.038 -12.578 -2.740 1.00 0.00 H new ATOM 1241 N ARG A 110 3.205 -11.083 -5.507 1.00 0.00 N ATOM 1242 CA ARG A 110 2.616 -9.801 -5.904 1.00 0.00 C ATOM 1243 C ARG A 110 1.859 -9.196 -4.748 1.00 0.00 C ATOM 1244 O ARG A 110 1.316 -9.910 -3.906 1.00 0.00 O ATOM 1245 CB ARG A 110 1.816 -9.987 -7.207 1.00 0.00 C ATOM 1246 CG ARG A 110 1.025 -8.782 -7.736 1.00 0.00 C ATOM 1247 CD ARG A 110 0.036 -9.191 -8.840 1.00 0.00 C ATOM 1248 NE ARG A 110 0.708 -9.449 -10.122 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.208 -9.237 -11.346 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.038 -8.818 -11.528 1.00 0.00 N ATOM 1251 NH2 ARG A 110 0.975 -9.439 -12.410 1.00 0.00 N ATOM 0 H ARG A 110 2.621 -11.627 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 110 3.384 -9.064 -6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.511 -10.300 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.115 -10.808 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.481 -8.315 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.717 -8.035 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.504 -10.085 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.704 -8.402 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 110 1.653 -9.829 -10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.642 -8.649 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.392 -8.665 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.938 -9.754 -12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.601 -9.280 -13.346 1.00 0.00 H new ATOM 1265 N LEU A 111 1.858 -7.866 -4.689 1.00 0.00 N ATOM 1266 CA LEU A 111 0.940 -7.140 -3.835 1.00 0.00 C ATOM 1267 C LEU A 111 -0.202 -6.661 -4.719 1.00 0.00 C ATOM 1268 O LEU A 111 0.002 -5.723 -5.485 1.00 0.00 O ATOM 1269 CB LEU A 111 1.628 -5.975 -3.111 1.00 0.00 C ATOM 1270 CG LEU A 111 0.621 -5.302 -2.162 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.238 -6.198 -0.987 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.159 -3.962 -1.642 1.00 0.00 C ATOM 0 H LEU A 111 2.489 -7.273 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 111 0.565 -7.789 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.489 -6.338 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.002 -5.252 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.279 -5.121 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.474 -5.676 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.216 -7.116 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.130 -6.443 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.426 -3.510 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.089 -4.129 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.344 -3.293 -2.483 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.363 -7.310 -4.668 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.578 -6.816 -5.305 1.00 0.00 C ATOM 1286 C ASN A 112 -3.236 -5.775 -4.400 1.00 0.00 C ATOM 1287 O ASN A 112 -3.150 -5.870 -3.175 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.556 -7.968 -5.572 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.274 -8.641 -6.906 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.255 -7.976 -7.942 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.056 -9.948 -6.911 1.00 0.00 N ATOM 0 H ASN A 112 -1.486 -8.198 -4.181 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.316 -6.360 -6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.482 -8.702 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.578 -7.588 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.866 -10.430 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.078 -10.472 -6.036 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.908 -4.792 -4.998 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.625 -3.703 -4.343 1.00 0.00 C ATOM 1300 C LEU A 113 -5.821 -3.334 -5.228 1.00 0.00 C ATOM 1301 O LEU A 113 -5.718 -3.418 -6.457 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.714 -2.466 -4.219 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.439 -2.612 -3.361 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.258 -1.888 -4.014 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.667 -2.074 -1.949 1.00 0.00 C ATOM 0 H LEU A 113 -3.969 -4.733 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.943 -4.015 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.413 -2.166 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.307 -1.650 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.203 -3.674 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.371 -2.005 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.069 -2.315 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.493 -0.828 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.754 -2.188 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.935 -1.019 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.474 -2.631 -1.473 1.00 0.00 H new ATOM 1317 N THR A 114 -6.905 -2.821 -4.644 1.00 0.00 N ATOM 1318 CA THR A 114 -8.019 -2.204 -5.367 1.00 0.00 C ATOM 1319 C THR A 114 -8.411 -0.922 -4.635 1.00 0.00 C ATOM 1320 O THR A 114 -8.465 -0.924 -3.404 1.00 0.00 O ATOM 1321 CB THR A 114 -9.218 -3.163 -5.429 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.881 -4.377 -6.081 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.421 -2.559 -6.159 1.00 0.00 C ATOM 0 H THR A 114 -7.036 -2.823 -3.632 1.00 0.00 H new ATOM 0 HA THR A 114 -7.716 -1.978 -6.389 1.00 0.00 H new ATOM 0 HB THR A 114 -9.487 -3.352 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.664 -4.965 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.238 -3.280 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.743 -1.655 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.139 -2.311 -7.182 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.707 0.152 -5.375 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.255 1.398 -4.844 1.00 0.00 C ATOM 1333 C ILE A 115 -10.277 1.943 -5.852 1.00 0.00 C ATOM 1334 O ILE A 115 -9.929 2.095 -7.031 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.144 2.442 -4.584 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -7.039 1.851 -3.686 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.739 3.705 -3.930 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.929 2.831 -3.320 1.00 0.00 C ATOM 0 H ILE A 115 -8.567 0.176 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.736 1.199 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.701 2.715 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.495 1.479 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.597 0.993 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.946 4.431 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.487 4.140 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.205 3.438 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.196 2.331 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.442 3.185 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.354 3.678 -2.782 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.504 2.279 -5.419 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.495 2.885 -6.292 1.00 0.00 C ATOM 1352 C PRO A 116 -12.124 4.308 -6.711 1.00 0.00 C ATOM 1353 O PRO A 116 -11.419 5.023 -5.997 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.808 2.866 -5.516 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.449 2.602 -4.056 1.00 0.00 C ATOM 1356 CD PRO A 116 -12.017 2.085 -4.072 1.00 0.00 C ATOM 0 HA PRO A 116 -12.566 2.326 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.333 3.815 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.472 2.091 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.530 3.512 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.125 1.871 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.406 2.622 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.986 1.031 -3.797 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.694 4.749 -7.838 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.470 6.076 -8.411 1.00 0.00 C ATOM 1366 C GLN A 117 -12.880 7.204 -7.465 1.00 0.00 C ATOM 1367 O GLN A 117 -12.400 8.329 -7.605 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.225 6.184 -9.747 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.444 5.556 -10.910 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.270 6.445 -11.317 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -11.445 7.416 -12.050 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.078 6.167 -10.818 1.00 0.00 N ATOM 0 H GLN A 117 -13.337 4.179 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.399 6.192 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.193 5.692 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.420 7.233 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.077 4.572 -10.618 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.107 5.409 -11.762 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.955 5.356 -10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.281 6.764 -11.039 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.714 6.900 -6.472 1.00 0.00 N ATOM 1382 CA ALA A 118 -14.150 7.837 -5.457 1.00 0.00 C ATOM 1383 C ALA A 118 -12.989 8.425 -4.644 1.00 0.00 C ATOM 1384 O ALA A 118 -13.150 9.525 -4.116 1.00 0.00 O ATOM 1385 CB ALA A 118 -15.149 7.135 -4.538 1.00 0.00 C ATOM 0 H ALA A 118 -14.112 5.968 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.622 8.681 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.486 7.830 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.005 6.797 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.670 6.277 -4.067 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.834 7.754 -4.543 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.729 8.202 -3.686 1.00 0.00 C ATOM 1393 C PHE A 119 -9.405 8.269 -4.444 1.00 0.00 C ATOM 1394 O PHE A 119 -8.359 7.920 -3.899 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.632 7.334 -2.424 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.939 7.184 -1.675 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.432 8.179 -0.811 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.667 6.003 -1.840 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.595 7.950 -0.055 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.818 5.768 -1.079 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.283 6.735 -0.174 1.00 0.00 C ATOM 0 H PHE A 119 -11.640 6.890 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.948 9.221 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.270 6.345 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.889 7.767 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.914 9.123 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.340 5.267 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.959 8.712 0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.352 4.836 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 119 -15.162 6.545 0.424 1.00 0.00 H new ATOM 1411 N MET A 120 -9.421 8.733 -5.690 1.00 0.00 N ATOM 1412 CA MET A 120 -8.287 8.645 -6.605 1.00 0.00 C ATOM 1413 C MET A 120 -7.811 10.042 -6.991 1.00 0.00 C ATOM 1414 O MET A 120 -8.616 10.853 -7.461 1.00 0.00 O ATOM 1415 CB MET A 120 -8.721 7.832 -7.839 1.00 0.00 C ATOM 1416 CG MET A 120 -7.745 6.693 -8.109 1.00 0.00 C ATOM 1417 SD MET A 120 -7.680 5.450 -6.801 1.00 0.00 S ATOM 1418 CE MET A 120 -6.300 4.498 -7.464 1.00 0.00 C ATOM 0 H MET A 120 -10.237 9.189 -6.100 1.00 0.00 H new ATOM 0 HA MET A 120 -7.448 8.141 -6.125 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.722 7.429 -7.681 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.774 8.485 -8.710 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.022 6.206 -9.044 1.00 0.00 H new ATOM 0 HG3 MET A 120 -6.748 7.109 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.799 3.970 -6.653 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.672 3.776 -8.191 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.593 5.171 -7.949 1.00 0.00 H new ATOM 1428 N SER A 121 -6.534 10.369 -6.774 1.00 0.00 N ATOM 1429 CA SER A 121 -5.941 11.578 -7.340 1.00 0.00 C ATOM 1430 C SER A 121 -4.443 11.326 -7.583 1.00 0.00 C ATOM 1431 O SER A 121 -4.072 10.398 -8.295 1.00 0.00 O ATOM 1432 CB SER A 121 -6.252 12.762 -6.406 1.00 0.00 C ATOM 1433 OG SER A 121 -6.082 14.008 -7.034 1.00 0.00 O ATOM 0 H SER A 121 -5.893 9.811 -6.210 1.00 0.00 H new ATOM 0 HA SER A 121 -6.365 11.836 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.278 12.677 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.604 12.709 -5.531 1.00 0.00 H new ATOM 0 HG SER A 121 -6.293 14.725 -6.400 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.568 12.061 -6.899 1.00 0.00 N ATOM 1440 CA ASN A 122 -2.162 11.738 -6.701 1.00 0.00 C ATOM 1441 C ASN A 122 -1.731 12.354 -5.387 1.00 0.00 C ATOM 1442 O ASN A 122 -1.285 11.652 -4.497 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.290 12.270 -7.846 1.00 0.00 C ATOM 1444 CG ASN A 122 0.081 11.616 -7.779 1.00 0.00 C ATOM 1445 OD1 ASN A 122 1.059 12.239 -7.368 1.00 0.00 O ATOM 1446 ND2 ASN A 122 0.168 10.358 -8.170 1.00 0.00 N ATOM 0 H ASN A 122 -3.835 12.936 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.037 10.655 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.761 12.057 -8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.193 13.353 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 122 1.065 9.874 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.662 9.870 -8.506 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.969 13.659 -5.243 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.685 14.507 -4.092 1.00 0.00 C ATOM 1455 C ARG A 123 -1.600 13.765 -2.746 1.00 0.00 C ATOM 1456 O ARG A 123 -2.625 13.507 -2.091 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.705 15.665 -4.091 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.173 15.214 -4.271 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.222 16.157 -3.678 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.192 17.509 -4.254 1.00 0.00 N ATOM 1461 CZ ARG A 123 -5.627 18.618 -3.640 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -6.111 18.572 -2.398 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -5.597 19.772 -4.288 1.00 0.00 N ATOM 0 H ARG A 123 -2.403 14.192 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.675 14.902 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.617 16.212 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.449 16.361 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.373 15.098 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.293 14.231 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -6.212 15.728 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.068 16.227 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.810 17.611 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.154 17.683 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -6.438 19.426 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.245 19.811 -5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.926 20.622 -3.831 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.378 13.473 -2.283 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.111 13.250 -0.870 1.00 0.00 C ATOM 1479 C ALA A 124 -0.252 14.578 -0.093 1.00 0.00 C ATOM 1480 O ALA A 124 -0.918 15.527 -0.531 1.00 0.00 O ATOM 1481 CB ALA A 124 1.250 12.563 -0.710 1.00 0.00 C ATOM 0 H ALA A 124 0.445 13.387 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.846 12.573 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.451 12.396 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.239 11.607 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.030 13.198 -1.131 1.00 0.00 H new ATOM 1487 N ARG A 125 0.262 14.625 1.133 1.00 0.00 N ATOM 1488 CA ARG A 125 0.006 15.684 2.116 1.00 0.00 C ATOM 1489 C ARG A 125 1.336 16.038 2.793 1.00 0.00 C ATOM 1490 O ARG A 125 1.397 16.246 4.002 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.108 15.197 3.066 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.229 16.204 3.368 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.754 17.446 4.127 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.875 18.117 4.818 1.00 0.00 N ATOM 1495 CZ ARG A 125 -3.032 18.236 6.145 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -2.045 17.914 6.976 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -4.191 18.669 6.635 1.00 0.00 N ATOM 0 H ARG A 125 0.891 13.903 1.486 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.361 16.609 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.558 14.302 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.649 14.902 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.687 16.516 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.004 15.707 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.994 17.161 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.284 18.142 3.432 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.599 18.529 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.158 17.573 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.175 18.008 7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.955 18.908 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.316 18.761 7.643 1.00 0.00 H new ATOM 1511 N GLY A 126 2.396 16.037 1.995 1.00 0.00 N ATOM 1512 CA GLY A 126 3.751 15.683 2.351 1.00 0.00 C ATOM 1513 C GLY A 126 4.236 14.722 1.259 1.00 0.00 C ATOM 1514 O GLY A 126 3.425 14.242 0.466 1.00 0.00 O ATOM 0 H GLY A 126 2.318 16.304 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.385 16.568 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.786 15.209 3.332 1.00 0.00 H new ATOM 1518 N TYR A 127 5.536 14.460 1.160 1.00 0.00 N ATOM 1519 CA TYR A 127 6.136 13.656 0.095 1.00 0.00 C ATOM 1520 C TYR A 127 7.280 12.862 0.715 1.00 0.00 C ATOM 1521 O TYR A 127 8.157 13.468 1.344 1.00 0.00 O ATOM 1522 CB TYR A 127 6.652 14.582 -1.037 1.00 0.00 C ATOM 1523 CG TYR A 127 8.006 14.243 -1.660 1.00 0.00 C ATOM 1524 CD1 TYR A 127 8.270 12.961 -2.182 1.00 0.00 C ATOM 1525 CD2 TYR A 127 9.022 15.218 -1.700 1.00 0.00 C ATOM 1526 CE1 TYR A 127 9.541 12.637 -2.692 1.00 0.00 C ATOM 1527 CE2 TYR A 127 10.276 14.921 -2.262 1.00 0.00 C ATOM 1528 CZ TYR A 127 10.551 13.626 -2.755 1.00 0.00 C ATOM 1529 OH TYR A 127 11.772 13.383 -3.308 1.00 0.00 O ATOM 0 H TYR A 127 6.219 14.808 1.833 1.00 0.00 H new ATOM 0 HA TYR A 127 5.405 12.977 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 127 5.907 14.589 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.707 15.597 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.487 12.217 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.836 16.202 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 127 9.745 11.634 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 127 11.034 15.688 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 127 12.322 14.192 -3.254 1.00 0.00 H new ATOM 1539 N ILE A 128 7.292 11.539 0.518 1.00 0.00 N ATOM 1540 CA ILE A 128 8.374 10.662 0.950 1.00 0.00 C ATOM 1541 C ILE A 128 8.688 9.666 -0.177 1.00 0.00 C ATOM 1542 O ILE A 128 7.771 9.013 -0.688 1.00 0.00 O ATOM 1543 CB ILE A 128 8.026 9.977 2.287 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.778 11.021 3.394 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.106 8.980 2.742 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.007 11.839 3.823 1.00 0.00 C ATOM 0 H ILE A 128 6.535 11.044 0.046 1.00 0.00 H new ATOM 0 HA ILE A 128 9.276 11.242 1.142 1.00 0.00 H new ATOM 0 HB ILE A 128 7.111 9.412 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.006 11.711 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.381 10.508 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.808 8.528 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.223 8.201 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.053 9.504 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.721 12.542 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.777 11.167 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.396 12.388 2.966 1.00 0.00 H new ATOM 1558 N PRO A 129 9.956 9.564 -0.604 1.00 0.00 N ATOM 1559 CA PRO A 129 10.373 8.662 -1.662 1.00 0.00 C ATOM 1560 C PRO A 129 10.497 7.216 -1.153 1.00 0.00 C ATOM 1561 O PRO A 129 10.636 6.989 0.053 1.00 0.00 O ATOM 1562 CB PRO A 129 11.714 9.223 -2.141 1.00 0.00 C ATOM 1563 CG PRO A 129 12.298 9.953 -0.933 1.00 0.00 C ATOM 1564 CD PRO A 129 11.092 10.284 -0.057 1.00 0.00 C ATOM 0 HA PRO A 129 9.646 8.610 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.377 8.426 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.579 9.901 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 129 13.014 9.327 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.828 10.857 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.274 9.989 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.902 11.357 -0.053 1.00 0.00 H new ATOM 1572 N PRO A 130 10.577 6.227 -2.062 1.00 0.00 N ATOM 1573 CA PRO A 130 10.759 4.819 -1.712 1.00 0.00 C ATOM 1574 C PRO A 130 12.171 4.524 -1.174 1.00 0.00 C ATOM 1575 O PRO A 130 12.523 3.363 -0.979 1.00 0.00 O ATOM 1576 CB PRO A 130 10.471 4.053 -3.010 1.00 0.00 C ATOM 1577 CG PRO A 130 10.963 5.022 -4.078 1.00 0.00 C ATOM 1578 CD PRO A 130 10.538 6.374 -3.511 1.00 0.00 C ATOM 0 HA PRO A 130 10.093 4.520 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.003 3.103 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.410 3.829 -3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 130 12.042 4.960 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.505 4.825 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 130 11.210 7.166 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.538 6.643 -3.850 1.00 0.00 H new ATOM 1586 N GLU A 131 12.992 5.554 -0.973 1.00 0.00 N ATOM 1587 CA GLU A 131 14.412 5.516 -0.649 1.00 0.00 C ATOM 1588 C GLU A 131 14.689 6.293 0.650 1.00 0.00 C ATOM 1589 O GLU A 131 15.840 6.617 0.960 1.00 0.00 O ATOM 1590 CB GLU A 131 15.127 6.079 -1.886 1.00 0.00 C ATOM 1591 CG GLU A 131 16.651 5.925 -1.897 1.00 0.00 C ATOM 1592 CD GLU A 131 17.263 6.117 -3.301 1.00 0.00 C ATOM 1593 OE1 GLU A 131 18.472 5.849 -3.487 1.00 0.00 O ATOM 1594 OE2 GLU A 131 16.573 6.596 -4.237 1.00 0.00 O ATOM 0 H GLU A 131 12.650 6.513 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 131 14.780 4.511 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.724 5.588 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.886 7.139 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.090 6.651 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.914 4.935 -1.524 1.00 0.00 H new ATOM 1602 N LEU A 132 13.621 6.638 1.385 1.00 0.00 N ATOM 1603 CA LEU A 132 13.692 7.115 2.761 1.00 0.00 C ATOM 1604 C LEU A 132 12.621 6.470 3.647 1.00 0.00 C ATOM 1605 O LEU A 132 12.777 6.471 4.867 1.00 0.00 O ATOM 1606 CB LEU A 132 13.528 8.641 2.834 1.00 0.00 C ATOM 1607 CG LEU A 132 14.722 9.460 2.317 1.00 0.00 C ATOM 1608 CD1 LEU A 132 14.304 10.934 2.248 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.925 9.352 3.264 1.00 0.00 C ATOM 0 H LEU A 132 12.668 6.590 1.026 1.00 0.00 H new ATOM 0 HA LEU A 132 14.679 6.832 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.643 8.922 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 132 13.340 8.920 3.871 1.00 0.00 H new ATOM 0 HG LEU A 132 15.008 9.074 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 132 15.139 11.532 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 132 13.457 11.041 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 132 14.018 11.278 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.752 9.942 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.648 9.728 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 132 16.230 8.309 3.347 1.00 0.00 H new ATOM 1621 N TRP A 133 11.543 5.919 3.081 1.00 0.00 N ATOM 1622 CA TRP A 133 10.587 5.087 3.822 1.00 0.00 C ATOM 1623 C TRP A 133 11.169 3.709 4.183 1.00 0.00 C ATOM 1624 O TRP A 133 10.466 2.923 4.815 1.00 0.00 O ATOM 1625 CB TRP A 133 9.280 4.993 3.032 1.00 0.00 C ATOM 1626 CG TRP A 133 9.076 3.805 2.160 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.973 3.267 1.308 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.907 2.945 2.114 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.418 2.157 0.721 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.137 1.908 1.172 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.664 2.952 2.773 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.182 0.918 0.901 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.670 2.002 2.460 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.936 0.982 1.538 1.00 0.00 C ATOM 0 H TRP A 133 11.307 6.037 2.096 1.00 0.00 H new ATOM 0 HA TRP A 133 10.374 5.562 4.780 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.456 5.030 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.202 5.883 2.408 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.966 3.647 1.119 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.898 1.581 0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.468 3.697 3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.404 0.117 0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.701 2.061 2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.179 0.244 1.318 1.00 0.00 H new ATOM 1645 N ASP A 134 12.411 3.418 3.758 1.00 0.00 N ATOM 1646 CA ASP A 134 13.105 2.128 3.691 1.00 0.00 C ATOM 1647 C ASP A 134 12.545 1.132 4.694 1.00 0.00 C ATOM 1648 O ASP A 134 12.926 1.181 5.869 1.00 0.00 O ATOM 1649 CB ASP A 134 14.608 2.260 3.954 1.00 0.00 C ATOM 1650 CG ASP A 134 15.360 3.196 3.024 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.798 3.618 1.994 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.520 3.519 3.375 1.00 0.00 O ATOM 0 H ASP A 134 13.015 4.165 3.417 1.00 0.00 H new ATOM 0 HA ASP A 134 12.943 1.768 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.750 2.604 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.059 1.270 3.885 1.00 0.00 H new ATOM 1658 N PRO A 135 11.599 0.276 4.287 1.00 0.00 N ATOM 1659 CA PRO A 135 10.884 -0.535 5.244 1.00 0.00 C ATOM 1660 C PRO A 135 11.825 -1.604 5.795 1.00 0.00 C ATOM 1661 O PRO A 135 11.967 -1.705 7.010 1.00 0.00 O ATOM 1662 CB PRO A 135 9.677 -1.107 4.508 1.00 0.00 C ATOM 1663 CG PRO A 135 9.567 -0.266 3.243 1.00 0.00 C ATOM 1664 CD PRO A 135 11.000 0.170 2.974 1.00 0.00 C ATOM 0 HA PRO A 135 10.532 0.030 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.819 -2.162 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.773 -1.035 5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 135 9.162 -0.843 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 135 8.908 0.590 3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.526 -0.557 2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.032 1.122 2.445 1.00 0.00 H new ATOM 1672 N GLY A 136 12.509 -2.340 4.912 1.00 0.00 N ATOM 1673 CA GLY A 136 13.521 -3.309 5.303 1.00 0.00 C ATOM 1674 C GLY A 136 14.708 -3.338 4.350 1.00 0.00 C ATOM 1675 O GLY A 136 15.841 -3.539 4.784 1.00 0.00 O ATOM 0 H GLY A 136 12.370 -2.275 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 136 13.873 -3.075 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.071 -4.301 5.346 1.00 0.00 H new ATOM 1679 N ILE A 137 14.476 -3.110 3.053 1.00 0.00 N ATOM 1680 CA ILE A 137 15.452 -3.055 1.962 1.00 0.00 C ATOM 1681 C ILE A 137 16.120 -4.420 1.696 1.00 0.00 C ATOM 1682 O ILE A 137 16.646 -4.607 0.600 1.00 0.00 O ATOM 1683 CB ILE A 137 16.449 -1.879 2.184 1.00 0.00 C ATOM 1684 CG1 ILE A 137 15.769 -0.493 2.126 1.00 0.00 C ATOM 1685 CG2 ILE A 137 17.666 -1.890 1.254 1.00 0.00 C ATOM 1686 CD1 ILE A 137 15.426 0.092 0.748 1.00 0.00 C ATOM 0 H ILE A 137 13.528 -2.947 2.714 1.00 0.00 H new ATOM 0 HA ILE A 137 14.924 -2.838 1.034 1.00 0.00 H new ATOM 0 HB ILE A 137 16.816 -2.052 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.845 -0.551 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 137 16.419 0.218 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 137 18.304 -1.036 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 137 18.228 -2.812 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 137 17.333 -1.830 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.955 1.067 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 137 16.339 0.203 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.741 -0.578 0.229 1.00 0.00 H new