USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 647 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 59 ASN : amide:sc= -0.0849 K(o=-0.37,f=-5.8!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.289 X(o=-0.37,f=-0.079) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.303 K(o=-0.27,f=-8.8!) USER MOD Set 2.2: A 58 MET CE :methyl -179:sc= -0.57 (180deg=-0.574) USER MOD Set 3.1: A 7 CYS SG : rot 100:sc= -1.04! USER MOD Set 3.2: A 35 SER OG : rot -104:sc= 1.31 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 117:sc= 0.655 USER MOD Single : A 9 TYR OH : rot 87:sc= 0.0724 USER MOD Single : A 11 GLN : amide:sc= 0.0907 X(o=0.091,f=-0.16) USER MOD Single : A 17 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.7!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.336) USER MOD Single : A 31 TYR OH : rot -112:sc= 0.419 USER MOD Single : A 32 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.036) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.13) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0379 F(o=-0.65,f=-0.038) USER MOD Single : A 44 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0198) USER MOD Single : A 46 GLN : amide:sc= 0.717 K(o=0.72,f=-2.6) USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 48 MET CE :methyl -167:sc= -0.11 (180deg=-0.491) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.567 (180deg=0.0677) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 156:sc= 0 (180deg=-0.226) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.849) USER MOD Single : A 68 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.26) USER MOD Single : A 70 MET CE :methyl -162:sc= -0.0774 (180deg=-0.432) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.18 (180deg=-0.0233) USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 3 -1.091 -22.902 8.209 1.00 0.00 N ATOM 32 CA ARG A 3 -2.008 -21.775 8.220 1.00 0.00 C ATOM 33 C ARG A 3 -1.969 -21.123 6.847 1.00 0.00 C ATOM 34 O ARG A 3 -1.140 -20.255 6.569 1.00 0.00 O ATOM 35 CB ARG A 3 -1.654 -20.762 9.321 1.00 0.00 C ATOM 36 CG ARG A 3 -2.485 -19.483 9.269 1.00 0.00 C ATOM 37 CD ARG A 3 -2.272 -18.614 10.501 1.00 0.00 C ATOM 38 NE ARG A 3 -2.856 -19.217 11.697 1.00 0.00 N ATOM 39 CZ ARG A 3 -2.906 -18.626 12.893 1.00 0.00 C ATOM 40 NH1 ARG A 3 -2.380 -17.419 13.077 1.00 0.00 N ATOM 41 NH2 ARG A 3 -3.483 -19.249 13.910 1.00 0.00 N ATOM 0 HA ARG A 3 -3.015 -22.129 8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.790 -21.234 10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.599 -20.503 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.223 -18.916 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.541 -19.740 9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.204 -18.459 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.716 -17.632 10.335 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.252 -20.153 11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.932 -16.934 12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.425 -16.978 13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.887 -20.176 13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.524 -18.801 14.826 1.00 0.00 H new ATOM 55 N THR A 4 -2.857 -21.582 5.984 1.00 0.00 N ATOM 56 CA THR A 4 -2.821 -21.212 4.587 1.00 0.00 C ATOM 57 C THR A 4 -4.055 -20.426 4.182 1.00 0.00 C ATOM 58 O THR A 4 -5.135 -20.588 4.755 1.00 0.00 O ATOM 59 CB THR A 4 -2.694 -22.462 3.694 1.00 0.00 C ATOM 60 OG1 THR A 4 -3.676 -23.437 4.073 1.00 0.00 O ATOM 61 CG2 THR A 4 -1.302 -23.070 3.805 1.00 0.00 C ATOM 0 H THR A 4 -3.616 -22.216 6.232 1.00 0.00 H new ATOM 0 HA THR A 4 -1.947 -20.576 4.448 1.00 0.00 H new ATOM 0 HB THR A 4 -2.860 -22.160 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.590 -24.227 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.238 -23.951 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.559 -22.338 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.112 -23.358 4.839 1.00 0.00 H new ATOM 69 N ILE A 5 -3.872 -19.564 3.203 1.00 0.00 N ATOM 70 CA ILE A 5 -4.952 -18.784 2.640 1.00 0.00 C ATOM 71 C ILE A 5 -4.911 -18.884 1.125 1.00 0.00 C ATOM 72 O ILE A 5 -3.841 -19.109 0.546 1.00 0.00 O ATOM 73 CB ILE A 5 -4.871 -17.300 3.089 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.483 -16.697 2.807 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.201 -17.175 4.570 1.00 0.00 C ATOM 76 CD1 ILE A 5 -3.304 -16.158 1.402 1.00 0.00 C ATOM 0 H ILE A 5 -2.964 -19.385 2.774 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.897 -19.185 3.005 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.605 -16.741 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.300 -15.891 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.726 -17.460 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.140 -16.129 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.210 -17.546 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.490 -17.761 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.298 -15.753 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.451 -16.963 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.034 -15.370 1.219 1.00 0.00 H new ATOM 88 N PHE A 6 -6.057 -18.740 0.482 1.00 0.00 N ATOM 89 CA PHE A 6 -6.101 -18.782 -0.968 1.00 0.00 C ATOM 90 C PHE A 6 -5.637 -17.447 -1.522 1.00 0.00 C ATOM 91 O PHE A 6 -6.334 -16.439 -1.415 1.00 0.00 O ATOM 92 CB PHE A 6 -7.506 -19.115 -1.474 1.00 0.00 C ATOM 93 CG PHE A 6 -7.553 -19.393 -2.951 1.00 0.00 C ATOM 94 CD1 PHE A 6 -7.263 -20.658 -3.439 1.00 0.00 C ATOM 95 CD2 PHE A 6 -7.884 -18.393 -3.851 1.00 0.00 C ATOM 96 CE1 PHE A 6 -7.299 -20.919 -4.794 1.00 0.00 C ATOM 97 CE2 PHE A 6 -7.924 -18.650 -5.208 1.00 0.00 C ATOM 98 CZ PHE A 6 -7.632 -19.913 -5.680 1.00 0.00 C ATOM 0 H PHE A 6 -6.959 -18.595 0.935 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.435 -19.572 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.883 -19.984 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.174 -18.284 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -7.006 -21.449 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.113 -17.402 -3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.067 -21.908 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.184 -17.862 -5.899 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.664 -20.115 -6.740 1.00 0.00 H new ATOM 108 N CYS A 7 -4.448 -17.445 -2.093 1.00 0.00 N ATOM 109 CA CYS A 7 -3.848 -16.225 -2.595 1.00 0.00 C ATOM 110 C CYS A 7 -4.570 -15.732 -3.841 1.00 0.00 C ATOM 111 O CYS A 7 -4.736 -16.477 -4.805 1.00 0.00 O ATOM 112 CB CYS A 7 -2.379 -16.468 -2.912 1.00 0.00 C ATOM 113 SG CYS A 7 -1.444 -17.188 -1.546 1.00 0.00 S ATOM 0 H CYS A 7 -3.876 -18.280 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.935 -15.458 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.309 -17.129 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.918 -15.522 -3.196 1.00 0.00 H new ATOM 0 HG CYS A 7 -1.314 -18.468 -1.736 1.00 0.00 H new ATOM 119 N THR A 8 -4.978 -14.475 -3.826 1.00 0.00 N ATOM 120 CA THR A 8 -5.673 -13.879 -4.954 1.00 0.00 C ATOM 121 C THR A 8 -4.753 -13.759 -6.163 1.00 0.00 C ATOM 122 O THR A 8 -5.135 -14.073 -7.288 1.00 0.00 O ATOM 123 CB THR A 8 -6.213 -12.490 -4.577 1.00 0.00 C ATOM 124 OG1 THR A 8 -5.201 -11.767 -3.858 1.00 0.00 O ATOM 125 CG2 THR A 8 -7.468 -12.610 -3.727 1.00 0.00 C ATOM 0 H THR A 8 -4.838 -13.843 -3.038 1.00 0.00 H new ATOM 0 HA THR A 8 -6.506 -14.531 -5.214 1.00 0.00 H new ATOM 0 HB THR A 8 -6.471 -11.953 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.940 -10.973 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.832 -11.614 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.236 -13.145 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.237 -13.157 -2.813 1.00 0.00 H new ATOM 133 N TYR A 9 -3.526 -13.327 -5.916 1.00 0.00 N ATOM 134 CA TYR A 9 -2.568 -13.106 -6.988 1.00 0.00 C ATOM 135 C TYR A 9 -1.887 -14.405 -7.421 1.00 0.00 C ATOM 136 O TYR A 9 -1.535 -14.566 -8.589 1.00 0.00 O ATOM 137 CB TYR A 9 -1.518 -12.075 -6.558 1.00 0.00 C ATOM 138 CG TYR A 9 -0.498 -11.770 -7.630 1.00 0.00 C ATOM 139 CD1 TYR A 9 -0.858 -11.073 -8.777 1.00 0.00 C ATOM 140 CD2 TYR A 9 0.816 -12.198 -7.507 1.00 0.00 C ATOM 141 CE1 TYR A 9 0.066 -10.807 -9.768 1.00 0.00 C ATOM 142 CE2 TYR A 9 1.745 -11.939 -8.497 1.00 0.00 C ATOM 143 CZ TYR A 9 1.364 -11.243 -9.624 1.00 0.00 C ATOM 144 OH TYR A 9 2.283 -10.996 -10.619 1.00 0.00 O ATOM 0 H TYR A 9 -3.170 -13.122 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.119 -12.722 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.022 -11.151 -6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.002 -12.442 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.877 -10.734 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.118 -12.742 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.228 -10.260 -10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.764 -12.280 -8.388 1.00 0.00 H new ATOM 0 HH TYR A 9 2.686 -10.114 -10.480 1.00 0.00 H new ATOM 154 N LEU A 10 -1.706 -15.334 -6.492 1.00 0.00 N ATOM 155 CA LEU A 10 -0.975 -16.564 -6.795 1.00 0.00 C ATOM 156 C LEU A 10 -1.919 -17.709 -7.152 1.00 0.00 C ATOM 157 O LEU A 10 -1.506 -18.676 -7.790 1.00 0.00 O ATOM 158 CB LEU A 10 -0.089 -16.967 -5.614 1.00 0.00 C ATOM 159 CG LEU A 10 1.004 -15.959 -5.244 1.00 0.00 C ATOM 160 CD1 LEU A 10 1.816 -16.462 -4.062 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.914 -15.690 -6.432 1.00 0.00 C ATOM 0 H LEU A 10 -2.049 -15.265 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.347 -16.363 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.724 -17.127 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.383 -17.922 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 10 0.521 -15.024 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.587 -15.733 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.160 -16.603 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.284 -17.412 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.682 -14.972 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.386 -16.621 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.327 -15.285 -7.256 1.00 0.00 H new ATOM 173 N GLN A 11 -3.176 -17.601 -6.723 1.00 0.00 N ATOM 174 CA GLN A 11 -4.203 -18.603 -7.027 1.00 0.00 C ATOM 175 C GLN A 11 -3.883 -19.967 -6.408 1.00 0.00 C ATOM 176 O GLN A 11 -4.445 -20.987 -6.809 1.00 0.00 O ATOM 177 CB GLN A 11 -4.394 -18.743 -8.544 1.00 0.00 C ATOM 178 CG GLN A 11 -5.097 -17.557 -9.190 1.00 0.00 C ATOM 179 CD GLN A 11 -6.494 -17.339 -8.636 1.00 0.00 C ATOM 180 OE1 GLN A 11 -7.463 -17.933 -9.111 1.00 0.00 O ATOM 181 NE2 GLN A 11 -6.613 -16.475 -7.643 1.00 0.00 N ATOM 0 H GLN A 11 -3.512 -16.821 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.133 -18.249 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.419 -18.874 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.968 -19.647 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.503 -16.657 -9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.157 -17.716 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.787 -16.003 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.531 -16.281 -7.243 1.00 0.00 H new ATOM 190 N ARG A 12 -2.998 -19.983 -5.422 1.00 0.00 N ATOM 191 CA ARG A 12 -2.648 -21.218 -4.731 1.00 0.00 C ATOM 192 C ARG A 12 -2.844 -21.056 -3.233 1.00 0.00 C ATOM 193 O ARG A 12 -3.123 -19.955 -2.748 1.00 0.00 O ATOM 194 CB ARG A 12 -1.195 -21.612 -5.004 1.00 0.00 C ATOM 195 CG ARG A 12 -0.873 -21.836 -6.471 1.00 0.00 C ATOM 196 CD ARG A 12 0.577 -22.250 -6.659 1.00 0.00 C ATOM 197 NE ARG A 12 0.924 -22.404 -8.070 1.00 0.00 N ATOM 198 CZ ARG A 12 2.170 -22.373 -8.539 1.00 0.00 C ATOM 199 NH1 ARG A 12 3.195 -22.230 -7.706 1.00 0.00 N ATOM 200 NH2 ARG A 12 2.393 -22.499 -9.841 1.00 0.00 N ATOM 0 H ARG A 12 -2.508 -19.155 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.303 -22.004 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.540 -20.832 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.968 -22.523 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.529 -22.606 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.069 -20.922 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.229 -21.504 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.756 -23.190 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 12 0.165 -22.544 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.029 -22.144 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.148 -22.207 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.610 -22.620 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.348 -22.475 -10.200 1.00 0.00 H new ATOM 214 N ASP A 13 -2.689 -22.154 -2.513 1.00 0.00 N ATOM 215 CA ASP A 13 -2.771 -22.142 -1.060 1.00 0.00 C ATOM 216 C ASP A 13 -1.388 -21.928 -0.474 1.00 0.00 C ATOM 217 O ASP A 13 -0.520 -22.798 -0.568 1.00 0.00 O ATOM 218 CB ASP A 13 -3.345 -23.456 -0.522 1.00 0.00 C ATOM 219 CG ASP A 13 -4.752 -23.740 -1.005 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.717 -23.303 -0.344 1.00 0.00 O ATOM 221 OD2 ASP A 13 -4.895 -24.424 -2.038 1.00 0.00 O ATOM 0 H ASP A 13 -2.504 -23.073 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.436 -21.329 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.694 -24.278 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.342 -23.426 0.568 1.00 0.00 H new ATOM 226 N ALA A 14 -1.179 -20.771 0.121 1.00 0.00 N ATOM 227 CA ALA A 14 0.111 -20.446 0.700 1.00 0.00 C ATOM 228 C ALA A 14 -0.059 -19.927 2.114 1.00 0.00 C ATOM 229 O ALA A 14 -1.165 -19.560 2.517 1.00 0.00 O ATOM 230 CB ALA A 14 0.840 -19.432 -0.163 1.00 0.00 C ATOM 0 H ALA A 14 -1.884 -20.040 0.217 1.00 0.00 H new ATOM 0 HA ALA A 14 0.713 -21.354 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.806 -19.199 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.993 -19.846 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.245 -18.522 -0.236 1.00 0.00 H new ATOM 236 N GLU A 15 1.030 -19.911 2.863 1.00 0.00 N ATOM 237 CA GLU A 15 0.998 -19.478 4.249 1.00 0.00 C ATOM 238 C GLU A 15 0.607 -18.010 4.343 1.00 0.00 C ATOM 239 O GLU A 15 1.254 -17.141 3.747 1.00 0.00 O ATOM 240 CB GLU A 15 2.354 -19.715 4.908 1.00 0.00 C ATOM 241 CG GLU A 15 2.381 -19.381 6.389 1.00 0.00 C ATOM 242 CD GLU A 15 3.708 -19.716 7.034 1.00 0.00 C ATOM 243 OE1 GLU A 15 4.686 -18.969 6.818 1.00 0.00 O ATOM 244 OE2 GLU A 15 3.780 -20.721 7.769 1.00 0.00 O ATOM 0 H GLU A 15 1.952 -20.195 2.532 1.00 0.00 H new ATOM 0 HA GLU A 15 0.247 -20.065 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.635 -20.760 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.106 -19.115 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.173 -18.319 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.586 -19.928 6.896 1.00 0.00 H new ATOM 251 N GLY A 16 -0.456 -17.750 5.086 1.00 0.00 N ATOM 252 CA GLY A 16 -0.973 -16.404 5.215 1.00 0.00 C ATOM 253 C GLY A 16 -0.006 -15.476 5.916 1.00 0.00 C ATOM 254 O GLY A 16 0.781 -15.904 6.767 1.00 0.00 O ATOM 0 H GLY A 16 -0.976 -18.456 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.198 -16.008 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.912 -16.430 5.768 1.00 0.00 H new ATOM 258 N GLN A 17 -0.057 -14.205 5.552 1.00 0.00 N ATOM 259 CA GLN A 17 0.801 -13.201 6.153 1.00 0.00 C ATOM 260 C GLN A 17 0.332 -12.924 7.581 1.00 0.00 C ATOM 261 O GLN A 17 -0.600 -12.161 7.806 1.00 0.00 O ATOM 262 CB GLN A 17 0.774 -11.930 5.300 1.00 0.00 C ATOM 263 CG GLN A 17 2.119 -11.223 5.191 1.00 0.00 C ATOM 264 CD GLN A 17 2.584 -10.588 6.490 1.00 0.00 C ATOM 265 OE1 GLN A 17 3.781 -10.504 6.759 1.00 0.00 O ATOM 266 NE2 GLN A 17 1.644 -10.133 7.300 1.00 0.00 N ATOM 0 H GLN A 17 -0.689 -13.844 4.838 1.00 0.00 H new ATOM 0 HA GLN A 17 1.829 -13.560 6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.428 -12.185 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.045 -11.238 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.870 -11.940 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.053 -10.452 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.661 -10.221 7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.901 -9.694 8.184 1.00 0.00 H new ATOM 275 N ASP A 18 0.984 -13.559 8.537 1.00 0.00 N ATOM 276 CA ASP A 18 0.516 -13.562 9.921 1.00 0.00 C ATOM 277 C ASP A 18 1.095 -12.392 10.719 1.00 0.00 C ATOM 278 O ASP A 18 0.857 -12.258 11.918 1.00 0.00 O ATOM 279 CB ASP A 18 0.900 -14.897 10.563 1.00 0.00 C ATOM 280 CG ASP A 18 0.198 -15.164 11.880 1.00 0.00 C ATOM 281 OD1 ASP A 18 -1.019 -15.443 11.861 1.00 0.00 O ATOM 282 OD2 ASP A 18 0.871 -15.144 12.934 1.00 0.00 O ATOM 0 H ASP A 18 1.845 -14.084 8.384 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.567 -13.442 9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.669 -15.704 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.978 -14.915 10.726 1.00 0.00 H new ATOM 287 N PHE A 19 1.836 -11.532 10.041 1.00 0.00 N ATOM 288 CA PHE A 19 2.488 -10.404 10.694 1.00 0.00 C ATOM 289 C PHE A 19 1.664 -9.129 10.557 1.00 0.00 C ATOM 290 O PHE A 19 1.729 -8.442 9.537 1.00 0.00 O ATOM 291 CB PHE A 19 3.878 -10.174 10.104 1.00 0.00 C ATOM 292 CG PHE A 19 4.823 -11.323 10.305 1.00 0.00 C ATOM 293 CD1 PHE A 19 5.602 -11.403 11.447 1.00 0.00 C ATOM 294 CD2 PHE A 19 4.932 -12.323 9.352 1.00 0.00 C ATOM 295 CE1 PHE A 19 6.473 -12.457 11.635 1.00 0.00 C ATOM 296 CE2 PHE A 19 5.801 -13.380 9.535 1.00 0.00 C ATOM 297 CZ PHE A 19 6.572 -13.448 10.678 1.00 0.00 C ATOM 0 H PHE A 19 2.003 -11.592 9.036 1.00 0.00 H new ATOM 0 HA PHE A 19 2.577 -10.648 11.753 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.781 -9.979 9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.309 -9.279 10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.527 -10.632 12.199 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.331 -12.275 8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.076 -12.507 12.529 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.878 -14.153 8.785 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.251 -14.275 10.824 1.00 0.00 H new ATOM 307 N GLN A 20 0.871 -8.827 11.572 1.00 0.00 N ATOM 308 CA GLN A 20 0.133 -7.575 11.612 1.00 0.00 C ATOM 309 C GLN A 20 0.910 -6.564 12.440 1.00 0.00 C ATOM 310 O GLN A 20 1.110 -6.755 13.641 1.00 0.00 O ATOM 311 CB GLN A 20 -1.266 -7.785 12.191 1.00 0.00 C ATOM 312 CG GLN A 20 -2.094 -6.514 12.244 1.00 0.00 C ATOM 313 CD GLN A 20 -3.500 -6.747 12.758 1.00 0.00 C ATOM 314 OE1 GLN A 20 -3.755 -6.679 13.959 1.00 0.00 O ATOM 315 NE2 GLN A 20 -4.420 -7.016 11.848 1.00 0.00 N ATOM 0 H GLN A 20 0.722 -9.432 12.380 1.00 0.00 H new ATOM 0 HA GLN A 20 0.016 -7.197 10.596 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.792 -8.527 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.177 -8.194 13.197 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.594 -5.787 12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.145 -6.078 11.246 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.164 -7.063 10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.386 -7.177 12.132 1.00 0.00 H new ATOM 324 N LEU A 21 1.369 -5.505 11.791 1.00 0.00 N ATOM 325 CA LEU A 21 2.233 -4.533 12.446 1.00 0.00 C ATOM 326 C LEU A 21 1.917 -3.105 12.006 1.00 0.00 C ATOM 327 O LEU A 21 2.549 -2.153 12.463 1.00 0.00 O ATOM 328 CB LEU A 21 3.728 -4.885 12.209 1.00 0.00 C ATOM 329 CG LEU A 21 4.317 -4.738 10.779 1.00 0.00 C ATOM 330 CD1 LEU A 21 3.401 -5.304 9.703 1.00 0.00 C ATOM 331 CD2 LEU A 21 4.687 -3.291 10.475 1.00 0.00 C ATOM 0 H LEU A 21 1.159 -5.296 10.815 1.00 0.00 H new ATOM 0 HA LEU A 21 2.038 -4.582 13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.323 -4.261 12.876 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.877 -5.918 12.522 1.00 0.00 H new ATOM 0 HG LEU A 21 5.229 -5.335 10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.864 -5.173 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.236 -6.366 9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.446 -4.779 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.096 -3.224 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.798 -2.665 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.432 -2.948 11.192 1.00 0.00 H new ATOM 343 N TYR A 22 0.924 -2.955 11.142 1.00 0.00 N ATOM 344 CA TYR A 22 0.585 -1.645 10.609 1.00 0.00 C ATOM 345 C TYR A 22 -0.914 -1.541 10.306 1.00 0.00 C ATOM 346 O TYR A 22 -1.583 -0.658 10.836 1.00 0.00 O ATOM 347 CB TYR A 22 1.418 -1.339 9.354 1.00 0.00 C ATOM 348 CG TYR A 22 1.614 0.135 9.084 1.00 0.00 C ATOM 349 CD1 TYR A 22 2.669 0.825 9.666 1.00 0.00 C ATOM 350 CD2 TYR A 22 0.764 0.831 8.236 1.00 0.00 C ATOM 351 CE1 TYR A 22 2.872 2.168 9.413 1.00 0.00 C ATOM 352 CE2 TYR A 22 0.958 2.177 7.979 1.00 0.00 C ATOM 353 CZ TYR A 22 2.014 2.839 8.570 1.00 0.00 C ATOM 354 OH TYR A 22 2.221 4.176 8.309 1.00 0.00 O ATOM 0 H TYR A 22 0.343 -3.719 10.797 1.00 0.00 H new ATOM 0 HA TYR A 22 0.823 -0.901 11.369 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.395 -1.811 9.456 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.933 -1.794 8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.343 0.302 10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.062 0.314 7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.699 2.689 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.286 2.706 7.319 1.00 0.00 H new ATOM 0 HH TYR A 22 1.529 4.500 7.695 1.00 0.00 H new ATOM 364 N PRO A 23 -1.480 -2.439 9.466 1.00 0.00 N ATOM 365 CA PRO A 23 -2.882 -2.376 9.082 1.00 0.00 C ATOM 366 C PRO A 23 -3.776 -3.275 9.940 1.00 0.00 C ATOM 367 O PRO A 23 -3.356 -4.346 10.382 1.00 0.00 O ATOM 368 CB PRO A 23 -2.847 -2.867 7.629 1.00 0.00 C ATOM 369 CG PRO A 23 -1.527 -3.570 7.451 1.00 0.00 C ATOM 370 CD PRO A 23 -0.841 -3.570 8.794 1.00 0.00 C ATOM 0 HA PRO A 23 -3.304 -1.379 9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.678 -3.543 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.940 -2.032 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.678 -4.589 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.916 -3.060 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.998 -4.505 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.236 -3.433 8.701 1.00 0.00 H new ATOM 378 N GLY A 24 -5.010 -2.839 10.157 1.00 0.00 N ATOM 379 CA GLY A 24 -5.920 -3.576 11.013 1.00 0.00 C ATOM 380 C GLY A 24 -6.827 -4.508 10.238 1.00 0.00 C ATOM 381 O GLY A 24 -6.395 -5.570 9.780 1.00 0.00 O ATOM 0 H GLY A 24 -5.398 -1.986 9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.344 -4.154 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.529 -2.872 11.580 1.00 0.00 H new ATOM 385 N GLU A 25 -8.084 -4.103 10.076 1.00 0.00 N ATOM 386 CA GLU A 25 -9.073 -4.910 9.367 1.00 0.00 C ATOM 387 C GLU A 25 -8.684 -5.044 7.898 1.00 0.00 C ATOM 388 O GLU A 25 -8.812 -6.113 7.301 1.00 0.00 O ATOM 389 CB GLU A 25 -10.465 -4.284 9.496 1.00 0.00 C ATOM 390 CG GLU A 25 -11.575 -5.127 8.894 1.00 0.00 C ATOM 391 CD GLU A 25 -11.697 -6.489 9.548 1.00 0.00 C ATOM 392 OE1 GLU A 25 -12.059 -6.552 10.741 1.00 0.00 O ATOM 393 OE2 GLU A 25 -11.444 -7.506 8.868 1.00 0.00 O ATOM 0 H GLU A 25 -8.443 -3.216 10.428 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.100 -5.904 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.681 -4.116 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.460 -3.307 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.522 -4.596 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.390 -5.256 7.828 1.00 0.00 H new ATOM 400 N LEU A 26 -8.198 -3.953 7.325 1.00 0.00 N ATOM 401 CA LEU A 26 -7.689 -3.973 5.964 1.00 0.00 C ATOM 402 C LEU A 26 -6.457 -4.867 5.893 1.00 0.00 C ATOM 403 O LEU A 26 -6.229 -5.557 4.900 1.00 0.00 O ATOM 404 CB LEU A 26 -7.347 -2.554 5.505 1.00 0.00 C ATOM 405 CG LEU A 26 -6.868 -2.432 4.057 1.00 0.00 C ATOM 406 CD1 LEU A 26 -7.958 -2.880 3.094 1.00 0.00 C ATOM 407 CD2 LEU A 26 -6.452 -1.003 3.755 1.00 0.00 C ATOM 0 H LEU A 26 -8.146 -3.043 7.783 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.456 -4.372 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.229 -1.926 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.574 -2.154 6.161 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.003 -3.081 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.599 -2.786 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.216 -3.920 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.841 -2.255 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.114 -0.933 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.302 -0.337 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.641 -0.711 4.422 1.00 0.00 H new ATOM 419 N GLY A 27 -5.689 -4.865 6.977 1.00 0.00 N ATOM 420 CA GLY A 27 -4.503 -5.687 7.058 1.00 0.00 C ATOM 421 C GLY A 27 -4.820 -7.158 6.975 1.00 0.00 C ATOM 422 O GLY A 27 -4.334 -7.850 6.085 1.00 0.00 O ATOM 0 H GLY A 27 -5.872 -4.302 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.822 -5.418 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.984 -5.482 7.995 1.00 0.00 H new ATOM 426 N LYS A 28 -5.656 -7.632 7.891 1.00 0.00 N ATOM 427 CA LYS A 28 -6.026 -9.042 7.931 1.00 0.00 C ATOM 428 C LYS A 28 -6.741 -9.462 6.648 1.00 0.00 C ATOM 429 O LYS A 28 -6.719 -10.634 6.279 1.00 0.00 O ATOM 430 CB LYS A 28 -6.895 -9.341 9.158 1.00 0.00 C ATOM 431 CG LYS A 28 -8.083 -8.409 9.309 1.00 0.00 C ATOM 432 CD LYS A 28 -8.848 -8.664 10.599 1.00 0.00 C ATOM 433 CE LYS A 28 -9.611 -9.980 10.565 1.00 0.00 C ATOM 434 NZ LYS A 28 -10.632 -10.002 9.486 1.00 0.00 N ATOM 0 H LYS A 28 -6.091 -7.061 8.616 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.109 -9.626 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.256 -10.367 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.277 -9.275 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.737 -7.375 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.753 -8.536 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.151 -8.672 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.547 -7.846 10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.910 -10.802 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.096 -10.143 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.518 -10.404 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.805 -9.032 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.289 -10.585 8.696 1.00 0.00 H new ATOM 448 N ARG A 29 -7.372 -8.507 5.968 1.00 0.00 N ATOM 449 CA ARG A 29 -7.990 -8.780 4.677 1.00 0.00 C ATOM 450 C ARG A 29 -6.913 -9.135 3.664 1.00 0.00 C ATOM 451 O ARG A 29 -6.955 -10.196 3.048 1.00 0.00 O ATOM 452 CB ARG A 29 -8.768 -7.567 4.169 1.00 0.00 C ATOM 453 CG ARG A 29 -9.730 -7.901 3.038 1.00 0.00 C ATOM 454 CD ARG A 29 -10.025 -6.687 2.170 1.00 0.00 C ATOM 455 NE ARG A 29 -9.190 -6.664 0.966 1.00 0.00 N ATOM 456 CZ ARG A 29 -9.197 -5.683 0.064 1.00 0.00 C ATOM 457 NH1 ARG A 29 -9.935 -4.594 0.257 1.00 0.00 N ATOM 458 NH2 ARG A 29 -8.463 -5.800 -1.034 1.00 0.00 N ATOM 0 H ARG A 29 -7.467 -7.544 6.289 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.683 -9.612 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.328 -7.130 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.063 -6.809 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.305 -8.694 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.661 -8.285 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.077 -6.692 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.856 -5.778 2.747 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.561 -7.452 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.502 -4.505 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.935 -3.848 -0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.899 -6.636 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.463 -5.054 -1.729 1.00 0.00 H new ATOM 472 N ILE A 30 -5.937 -8.246 3.523 1.00 0.00 N ATOM 473 CA ILE A 30 -4.850 -8.438 2.573 1.00 0.00 C ATOM 474 C ILE A 30 -4.017 -9.661 2.943 1.00 0.00 C ATOM 475 O ILE A 30 -3.578 -10.399 2.078 1.00 0.00 O ATOM 476 CB ILE A 30 -3.938 -7.193 2.499 1.00 0.00 C ATOM 477 CG1 ILE A 30 -4.762 -5.950 2.148 1.00 0.00 C ATOM 478 CG2 ILE A 30 -2.829 -7.401 1.475 1.00 0.00 C ATOM 479 CD1 ILE A 30 -3.973 -4.657 2.202 1.00 0.00 C ATOM 0 H ILE A 30 -5.877 -7.380 4.059 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.301 -8.595 1.593 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.479 -7.043 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.176 -6.071 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.605 -5.879 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.197 -6.513 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.227 -8.263 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.269 -7.575 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.624 -3.822 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.582 -4.511 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.145 -4.706 1.495 1.00 0.00 H new ATOM 491 N TYR A 31 -3.823 -9.877 4.237 1.00 0.00 N ATOM 492 CA TYR A 31 -3.081 -11.042 4.721 1.00 0.00 C ATOM 493 C TYR A 31 -3.816 -12.336 4.387 1.00 0.00 C ATOM 494 O TYR A 31 -3.207 -13.399 4.263 1.00 0.00 O ATOM 495 CB TYR A 31 -2.884 -10.951 6.231 1.00 0.00 C ATOM 496 CG TYR A 31 -2.078 -9.754 6.690 1.00 0.00 C ATOM 497 CD1 TYR A 31 -1.272 -9.040 5.810 1.00 0.00 C ATOM 498 CD2 TYR A 31 -2.118 -9.350 8.015 1.00 0.00 C ATOM 499 CE1 TYR A 31 -0.530 -7.959 6.241 1.00 0.00 C ATOM 500 CE2 TYR A 31 -1.382 -8.268 8.451 1.00 0.00 C ATOM 501 CZ TYR A 31 -0.591 -7.577 7.562 1.00 0.00 C ATOM 502 OH TYR A 31 0.164 -6.515 8.004 1.00 0.00 O ATOM 0 H TYR A 31 -4.168 -9.262 4.974 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.111 -11.050 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.862 -10.919 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.389 -11.859 6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.226 -9.336 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.735 -9.891 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.094 -7.416 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.426 -7.964 9.486 1.00 0.00 H new ATOM 0 HH TYR A 31 0.863 -6.840 8.609 1.00 0.00 H new ATOM 512 N ASN A 32 -5.126 -12.228 4.257 1.00 0.00 N ATOM 513 CA ASN A 32 -5.972 -13.367 3.934 1.00 0.00 C ATOM 514 C ASN A 32 -6.000 -13.614 2.427 1.00 0.00 C ATOM 515 O ASN A 32 -6.288 -14.718 1.971 1.00 0.00 O ATOM 516 CB ASN A 32 -7.385 -13.123 4.486 1.00 0.00 C ATOM 517 CG ASN A 32 -8.468 -13.917 3.783 1.00 0.00 C ATOM 518 OD1 ASN A 32 -8.739 -15.069 4.127 1.00 0.00 O ATOM 519 ND2 ASN A 32 -9.110 -13.290 2.807 1.00 0.00 N ATOM 0 H ASN A 32 -5.634 -11.351 4.372 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.562 -14.263 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.397 -13.372 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.617 -12.061 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.863 -13.762 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.851 -12.336 2.557 1.00 0.00 H new ATOM 526 N GLU A 33 -5.687 -12.581 1.659 1.00 0.00 N ATOM 527 CA GLU A 33 -5.703 -12.679 0.205 1.00 0.00 C ATOM 528 C GLU A 33 -4.286 -12.833 -0.348 1.00 0.00 C ATOM 529 O GLU A 33 -4.082 -13.368 -1.440 1.00 0.00 O ATOM 530 CB GLU A 33 -6.372 -11.435 -0.391 1.00 0.00 C ATOM 531 CG GLU A 33 -7.765 -11.180 0.171 1.00 0.00 C ATOM 532 CD GLU A 33 -8.430 -9.938 -0.388 1.00 0.00 C ATOM 533 OE1 GLU A 33 -8.005 -8.812 -0.039 1.00 0.00 O ATOM 534 OE2 GLU A 33 -9.405 -10.083 -1.158 1.00 0.00 O ATOM 0 H GLU A 33 -5.419 -11.665 2.017 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.274 -13.564 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.744 -10.565 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.438 -11.548 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.395 -12.044 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.699 -11.089 1.255 1.00 0.00 H new ATOM 541 N ILE A 34 -3.311 -12.370 0.418 1.00 0.00 N ATOM 542 CA ILE A 34 -1.922 -12.379 -0.001 1.00 0.00 C ATOM 543 C ILE A 34 -1.045 -13.103 1.014 1.00 0.00 C ATOM 544 O ILE A 34 -1.098 -12.832 2.215 1.00 0.00 O ATOM 545 CB ILE A 34 -1.413 -10.934 -0.215 1.00 0.00 C ATOM 546 CG1 ILE A 34 -2.013 -10.351 -1.495 1.00 0.00 C ATOM 547 CG2 ILE A 34 0.107 -10.876 -0.266 1.00 0.00 C ATOM 548 CD1 ILE A 34 -1.625 -11.115 -2.746 1.00 0.00 C ATOM 0 H ILE A 34 -3.462 -11.978 1.347 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.861 -12.918 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.736 -10.335 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.099 -10.342 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.693 -9.314 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.427 -9.845 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.517 -11.249 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.467 -11.492 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.086 -10.647 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.541 -11.102 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.969 -12.146 -2.664 1.00 0.00 H new ATOM 560 N SER A 35 -0.247 -14.029 0.515 1.00 0.00 N ATOM 561 CA SER A 35 0.665 -14.788 1.346 1.00 0.00 C ATOM 562 C SER A 35 1.951 -14.015 1.602 1.00 0.00 C ATOM 563 O SER A 35 2.198 -12.978 0.986 1.00 0.00 O ATOM 564 CB SER A 35 0.985 -16.107 0.657 1.00 0.00 C ATOM 565 OG SER A 35 1.269 -15.902 -0.718 1.00 0.00 O ATOM 0 H SER A 35 -0.214 -14.274 -0.474 1.00 0.00 H new ATOM 0 HA SER A 35 0.188 -14.973 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.839 -16.578 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.142 -16.790 0.761 1.00 0.00 H new ATOM 0 HG SER A 35 0.499 -16.182 -1.256 1.00 0.00 H new ATOM 571 N LYS A 36 2.776 -14.540 2.498 1.00 0.00 N ATOM 572 CA LYS A 36 4.059 -13.923 2.820 1.00 0.00 C ATOM 573 C LYS A 36 4.945 -13.825 1.579 1.00 0.00 C ATOM 574 O LYS A 36 5.750 -12.902 1.453 1.00 0.00 O ATOM 575 CB LYS A 36 4.777 -14.723 3.906 1.00 0.00 C ATOM 576 CG LYS A 36 3.979 -14.865 5.193 1.00 0.00 C ATOM 577 CD LYS A 36 4.744 -15.682 6.218 1.00 0.00 C ATOM 578 CE LYS A 36 3.933 -15.914 7.486 1.00 0.00 C ATOM 579 NZ LYS A 36 4.633 -16.826 8.433 1.00 0.00 N ATOM 0 H LYS A 36 2.580 -15.395 3.018 1.00 0.00 H new ATOM 0 HA LYS A 36 3.864 -12.916 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.007 -15.716 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.728 -14.240 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.759 -13.878 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.023 -15.343 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.019 -16.643 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.672 -15.169 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.743 -14.959 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.963 -16.337 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.974 -17.121 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.972 -17.665 7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.442 -16.330 8.859 1.00 0.00 H new ATOM 593 N ASP A 37 4.776 -14.774 0.662 1.00 0.00 N ATOM 594 CA ASP A 37 5.565 -14.812 -0.564 1.00 0.00 C ATOM 595 C ASP A 37 5.291 -13.584 -1.419 1.00 0.00 C ATOM 596 O ASP A 37 6.202 -12.816 -1.732 1.00 0.00 O ATOM 597 CB ASP A 37 5.250 -16.073 -1.373 1.00 0.00 C ATOM 598 CG ASP A 37 5.592 -17.348 -0.632 1.00 0.00 C ATOM 599 OD1 ASP A 37 6.761 -17.779 -0.688 1.00 0.00 O ATOM 600 OD2 ASP A 37 4.688 -17.933 -0.001 1.00 0.00 O ATOM 0 H ASP A 37 4.096 -15.530 0.746 1.00 0.00 H new ATOM 0 HA ASP A 37 6.617 -14.823 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.190 -16.080 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.804 -16.044 -2.312 1.00 0.00 H new ATOM 605 N ALA A 38 4.025 -13.402 -1.782 1.00 0.00 N ATOM 606 CA ALA A 38 3.621 -12.278 -2.620 1.00 0.00 C ATOM 607 C ALA A 38 3.808 -10.956 -1.884 1.00 0.00 C ATOM 608 O ALA A 38 4.131 -9.937 -2.494 1.00 0.00 O ATOM 609 CB ALA A 38 2.176 -12.448 -3.068 1.00 0.00 C ATOM 0 H ALA A 38 3.260 -14.019 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 38 4.258 -12.261 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.887 -11.603 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.078 -13.371 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.527 -12.492 -2.194 1.00 0.00 H new ATOM 615 N TRP A 39 3.611 -10.990 -0.571 1.00 0.00 N ATOM 616 CA TRP A 39 3.790 -9.817 0.280 1.00 0.00 C ATOM 617 C TRP A 39 5.218 -9.286 0.167 1.00 0.00 C ATOM 618 O TRP A 39 5.436 -8.112 -0.131 1.00 0.00 O ATOM 619 CB TRP A 39 3.471 -10.195 1.730 1.00 0.00 C ATOM 620 CG TRP A 39 3.496 -9.044 2.693 1.00 0.00 C ATOM 621 CD1 TRP A 39 4.455 -8.785 3.629 1.00 0.00 C ATOM 622 CD2 TRP A 39 2.516 -8.007 2.823 1.00 0.00 C ATOM 623 NE1 TRP A 39 4.129 -7.655 4.336 1.00 0.00 N ATOM 624 CE2 TRP A 39 2.947 -7.158 3.860 1.00 0.00 C ATOM 625 CE3 TRP A 39 1.317 -7.712 2.166 1.00 0.00 C ATOM 626 CZ2 TRP A 39 2.222 -6.038 4.257 1.00 0.00 C ATOM 627 CZ3 TRP A 39 0.601 -6.597 2.559 1.00 0.00 C ATOM 628 CH2 TRP A 39 1.056 -5.771 3.595 1.00 0.00 C ATOM 0 H TRP A 39 3.323 -11.829 -0.066 1.00 0.00 H new ATOM 0 HA TRP A 39 3.112 -9.028 -0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.485 -10.658 1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.188 -10.946 2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 39 5.341 -9.382 3.790 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.679 -7.251 5.094 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.958 -8.343 1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.568 -5.403 5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.326 -6.358 2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.474 -4.906 3.876 1.00 0.00 H new ATOM 639 N ALA A 40 6.185 -10.171 0.380 1.00 0.00 N ATOM 640 CA ALA A 40 7.592 -9.804 0.302 1.00 0.00 C ATOM 641 C ALA A 40 7.981 -9.445 -1.127 1.00 0.00 C ATOM 642 O ALA A 40 8.693 -8.463 -1.359 1.00 0.00 O ATOM 643 CB ALA A 40 8.459 -10.941 0.819 1.00 0.00 C ATOM 0 H ALA A 40 6.018 -11.151 0.609 1.00 0.00 H new ATOM 0 HA ALA A 40 7.754 -8.926 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.509 -10.656 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.202 -11.152 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.288 -11.832 0.215 1.00 0.00 H new ATOM 649 N GLN A 41 7.499 -10.243 -2.074 1.00 0.00 N ATOM 650 CA GLN A 41 7.777 -10.032 -3.492 1.00 0.00 C ATOM 651 C GLN A 41 7.368 -8.629 -3.932 1.00 0.00 C ATOM 652 O GLN A 41 8.163 -7.896 -4.525 1.00 0.00 O ATOM 653 CB GLN A 41 7.037 -11.076 -4.330 1.00 0.00 C ATOM 654 CG GLN A 41 7.220 -10.912 -5.829 1.00 0.00 C ATOM 655 CD GLN A 41 6.350 -11.864 -6.621 1.00 0.00 C ATOM 656 OE1 GLN A 41 5.263 -12.241 -6.184 1.00 0.00 O ATOM 657 NE2 GLN A 41 6.820 -12.265 -7.790 1.00 0.00 N ATOM 0 H GLN A 41 6.907 -11.051 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 41 8.851 -10.137 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.380 -12.069 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.973 -11.026 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.983 -9.886 -6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.266 -11.080 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.726 -11.930 -8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.277 -12.910 -8.364 1.00 0.00 H new ATOM 666 N TRP A 42 6.131 -8.255 -3.626 1.00 0.00 N ATOM 667 CA TRP A 42 5.608 -6.965 -4.038 1.00 0.00 C ATOM 668 C TRP A 42 6.337 -5.830 -3.337 1.00 0.00 C ATOM 669 O TRP A 42 6.766 -4.879 -3.981 1.00 0.00 O ATOM 670 CB TRP A 42 4.105 -6.877 -3.765 1.00 0.00 C ATOM 671 CG TRP A 42 3.517 -5.536 -4.103 1.00 0.00 C ATOM 672 CD1 TRP A 42 2.787 -4.730 -3.277 1.00 0.00 C ATOM 673 CD2 TRP A 42 3.622 -4.838 -5.354 1.00 0.00 C ATOM 674 NE1 TRP A 42 2.430 -3.582 -3.936 1.00 0.00 N ATOM 675 CE2 TRP A 42 2.931 -3.622 -5.210 1.00 0.00 C ATOM 676 CE3 TRP A 42 4.236 -5.122 -6.580 1.00 0.00 C ATOM 677 CZ2 TRP A 42 2.830 -2.696 -6.244 1.00 0.00 C ATOM 678 CZ3 TRP A 42 4.135 -4.200 -7.605 1.00 0.00 C ATOM 679 CH2 TRP A 42 3.438 -2.999 -7.432 1.00 0.00 C ATOM 0 H TRP A 42 5.475 -8.828 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 42 5.774 -6.867 -5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.592 -7.647 -4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.921 -7.092 -2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.529 -4.963 -2.254 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.879 -2.820 -3.541 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.779 -6.045 -6.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.290 -1.770 -6.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.602 -4.410 -8.556 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.379 -2.298 -8.251 1.00 0.00 H new ATOM 690 N GLN A 43 6.497 -5.940 -2.026 1.00 0.00 N ATOM 691 CA GLN A 43 7.119 -4.876 -1.247 1.00 0.00 C ATOM 692 C GLN A 43 8.556 -4.621 -1.684 1.00 0.00 C ATOM 693 O GLN A 43 8.974 -3.470 -1.811 1.00 0.00 O ATOM 694 CB GLN A 43 7.077 -5.191 0.245 1.00 0.00 C ATOM 695 CG GLN A 43 5.684 -5.105 0.843 1.00 0.00 C ATOM 696 CD GLN A 43 5.695 -5.192 2.357 1.00 0.00 C ATOM 697 OE1 GLN A 43 6.642 -5.933 2.902 1.00 0.00 O flip ATOM 698 NE2 GLN A 43 4.858 -4.598 3.034 1.00 0.00 N flip ATOM 0 H GLN A 43 6.207 -6.751 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 43 6.542 -3.970 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.472 -6.194 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.734 -4.500 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.219 -4.167 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.069 -5.910 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.140 -4.034 2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.881 -4.669 4.051 1.00 0.00 H new ATOM 707 N HIS A 44 9.307 -5.687 -1.933 1.00 0.00 N ATOM 708 CA HIS A 44 10.714 -5.545 -2.297 1.00 0.00 C ATOM 709 C HIS A 44 10.846 -4.860 -3.655 1.00 0.00 C ATOM 710 O HIS A 44 11.711 -4.002 -3.851 1.00 0.00 O ATOM 711 CB HIS A 44 11.406 -6.910 -2.321 1.00 0.00 C ATOM 712 CG HIS A 44 12.906 -6.826 -2.317 1.00 0.00 C ATOM 713 ND1 HIS A 44 13.704 -7.512 -3.206 1.00 0.00 N ATOM 714 CD2 HIS A 44 13.752 -6.140 -1.511 1.00 0.00 C ATOM 715 CE1 HIS A 44 14.973 -7.254 -2.945 1.00 0.00 C ATOM 716 NE2 HIS A 44 15.030 -6.425 -1.920 1.00 0.00 N ATOM 0 H HIS A 44 8.972 -6.649 -1.891 1.00 0.00 H new ATOM 0 HA HIS A 44 11.201 -4.925 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.081 -7.488 -1.456 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.084 -7.455 -3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.472 -5.489 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.821 -7.654 -3.481 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.884 -6.057 -1.501 1.00 0.00 H new ATOM 725 N LYS A 45 9.970 -5.225 -4.582 1.00 0.00 N ATOM 726 CA LYS A 45 9.979 -4.628 -5.910 1.00 0.00 C ATOM 727 C LYS A 45 9.442 -3.199 -5.845 1.00 0.00 C ATOM 728 O LYS A 45 9.957 -2.301 -6.507 1.00 0.00 O ATOM 729 CB LYS A 45 9.147 -5.480 -6.882 1.00 0.00 C ATOM 730 CG LYS A 45 9.458 -5.232 -8.356 1.00 0.00 C ATOM 731 CD LYS A 45 8.867 -3.925 -8.866 1.00 0.00 C ATOM 732 CE LYS A 45 7.360 -4.015 -9.069 1.00 0.00 C ATOM 733 NZ LYS A 45 7.006 -4.794 -10.284 1.00 0.00 N ATOM 0 H LYS A 45 9.246 -5.930 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 45 11.005 -4.595 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.315 -6.534 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.089 -5.282 -6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.539 -5.218 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.069 -6.059 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.089 -3.127 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.343 -3.656 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.904 -4.480 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.945 -3.010 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.977 -4.759 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.488 -4.386 -11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.305 -5.783 -10.162 1.00 0.00 H new ATOM 747 N GLN A 46 8.417 -2.993 -5.032 1.00 0.00 N ATOM 748 CA GLN A 46 7.813 -1.680 -4.883 1.00 0.00 C ATOM 749 C GLN A 46 8.802 -0.705 -4.257 1.00 0.00 C ATOM 750 O GLN A 46 8.872 0.449 -4.659 1.00 0.00 O ATOM 751 CB GLN A 46 6.538 -1.761 -4.038 1.00 0.00 C ATOM 752 CG GLN A 46 5.779 -0.447 -3.947 1.00 0.00 C ATOM 753 CD GLN A 46 5.373 0.089 -5.306 1.00 0.00 C ATOM 754 OE1 GLN A 46 5.177 -0.667 -6.254 1.00 0.00 O ATOM 755 NE2 GLN A 46 5.245 1.401 -5.405 1.00 0.00 N ATOM 0 H GLN A 46 7.986 -3.722 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 46 7.545 -1.315 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.881 -2.521 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.800 -2.089 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.888 -0.588 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.399 0.292 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.417 1.993 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.974 1.821 -6.294 1.00 0.00 H new ATOM 764 N THR A 47 9.573 -1.177 -3.284 1.00 0.00 N ATOM 765 CA THR A 47 10.601 -0.350 -2.670 1.00 0.00 C ATOM 766 C THR A 47 11.631 0.063 -3.717 1.00 0.00 C ATOM 767 O THR A 47 12.107 1.200 -3.722 1.00 0.00 O ATOM 768 CB THR A 47 11.296 -1.084 -1.508 1.00 0.00 C ATOM 769 OG1 THR A 47 10.312 -1.559 -0.580 1.00 0.00 O ATOM 770 CG2 THR A 47 12.266 -0.163 -0.786 1.00 0.00 C ATOM 0 H THR A 47 9.506 -2.122 -2.906 1.00 0.00 H new ATOM 0 HA THR A 47 10.119 0.539 -2.264 1.00 0.00 H new ATOM 0 HB THR A 47 11.855 -1.924 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.022 -2.458 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.744 -0.705 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.027 0.184 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.724 0.693 -0.384 1.00 0.00 H new ATOM 778 N MET A 48 11.942 -0.861 -4.624 1.00 0.00 N ATOM 779 CA MET A 48 12.808 -0.565 -5.759 1.00 0.00 C ATOM 780 C MET A 48 12.223 0.586 -6.572 1.00 0.00 C ATOM 781 O MET A 48 12.911 1.556 -6.886 1.00 0.00 O ATOM 782 CB MET A 48 12.958 -1.802 -6.649 1.00 0.00 C ATOM 783 CG MET A 48 13.838 -1.583 -7.869 1.00 0.00 C ATOM 784 SD MET A 48 13.729 -2.941 -9.053 1.00 0.00 S ATOM 785 CE MET A 48 14.154 -4.340 -8.018 1.00 0.00 C ATOM 0 H MET A 48 11.605 -1.823 -4.593 1.00 0.00 H new ATOM 0 HA MET A 48 13.791 -0.278 -5.384 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.374 -2.616 -6.055 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.970 -2.121 -6.979 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.549 -0.654 -8.359 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.874 -1.466 -7.550 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.355 -5.209 -8.645 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.042 -4.103 -7.432 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.324 -4.561 -7.347 1.00 0.00 H new ATOM 795 N LEU A 49 10.932 0.476 -6.884 1.00 0.00 N ATOM 796 CA LEU A 49 10.232 1.503 -7.646 1.00 0.00 C ATOM 797 C LEU A 49 10.211 2.822 -6.895 1.00 0.00 C ATOM 798 O LEU A 49 10.386 3.874 -7.489 1.00 0.00 O ATOM 799 CB LEU A 49 8.796 1.079 -7.952 1.00 0.00 C ATOM 800 CG LEU A 49 8.647 -0.162 -8.828 1.00 0.00 C ATOM 801 CD1 LEU A 49 7.179 -0.430 -9.111 1.00 0.00 C ATOM 802 CD2 LEU A 49 9.424 -0.005 -10.127 1.00 0.00 C ATOM 0 H LEU A 49 10.350 -0.318 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 49 10.774 1.632 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.280 0.900 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.287 1.910 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 49 9.060 -1.015 -8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.085 -1.318 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.651 -0.591 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.746 0.426 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.302 -0.902 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.046 0.858 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.481 0.141 -9.903 1.00 0.00 H new ATOM 814 N ILE A 50 9.989 2.762 -5.589 1.00 0.00 N ATOM 815 CA ILE A 50 9.956 3.961 -4.761 1.00 0.00 C ATOM 816 C ILE A 50 11.272 4.724 -4.865 1.00 0.00 C ATOM 817 O ILE A 50 11.283 5.956 -4.899 1.00 0.00 O ATOM 818 CB ILE A 50 9.665 3.620 -3.280 1.00 0.00 C ATOM 819 CG1 ILE A 50 8.285 2.972 -3.148 1.00 0.00 C ATOM 820 CG2 ILE A 50 9.743 4.872 -2.418 1.00 0.00 C ATOM 821 CD1 ILE A 50 7.961 2.494 -1.749 1.00 0.00 C ATOM 0 H ILE A 50 9.829 1.894 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 50 9.147 4.590 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 50 10.420 2.914 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.526 3.690 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.225 2.126 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.536 4.613 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.742 5.303 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.008 5.599 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.967 2.047 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.696 1.751 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.987 3.339 -1.061 1.00 0.00 H new ATOM 833 N ASN A 51 12.373 3.987 -4.942 1.00 0.00 N ATOM 834 CA ASN A 51 13.694 4.592 -5.090 1.00 0.00 C ATOM 835 C ASN A 51 13.819 5.285 -6.442 1.00 0.00 C ATOM 836 O ASN A 51 14.335 6.396 -6.538 1.00 0.00 O ATOM 837 CB ASN A 51 14.803 3.537 -4.961 1.00 0.00 C ATOM 838 CG ASN A 51 14.826 2.848 -3.610 1.00 0.00 C ATOM 839 OD1 ASN A 51 14.418 3.416 -2.595 1.00 0.00 O ATOM 840 ND2 ASN A 51 15.323 1.619 -3.585 1.00 0.00 N ATOM 0 H ASN A 51 12.379 2.968 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 51 13.808 5.327 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.673 2.787 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.768 4.013 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.378 1.109 -2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.650 1.184 -4.447 1.00 0.00 H new ATOM 847 N GLU A 52 13.326 4.624 -7.481 1.00 0.00 N ATOM 848 CA GLU A 52 13.486 5.101 -8.848 1.00 0.00 C ATOM 849 C GLU A 52 12.437 6.157 -9.207 1.00 0.00 C ATOM 850 O GLU A 52 12.720 7.100 -9.952 1.00 0.00 O ATOM 851 CB GLU A 52 13.417 3.916 -9.811 1.00 0.00 C ATOM 852 CG GLU A 52 14.452 2.844 -9.499 1.00 0.00 C ATOM 853 CD GLU A 52 14.547 1.773 -10.565 1.00 0.00 C ATOM 854 OE1 GLU A 52 13.796 0.779 -10.496 1.00 0.00 O ATOM 855 OE2 GLU A 52 15.391 1.915 -11.471 1.00 0.00 O ATOM 0 H GLU A 52 12.808 3.749 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 52 14.461 5.580 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.421 3.476 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.565 4.272 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.428 3.315 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.205 2.377 -8.546 1.00 0.00 H new ATOM 862 N LYS A 53 11.233 6.003 -8.672 1.00 0.00 N ATOM 863 CA LYS A 53 10.171 6.981 -8.872 1.00 0.00 C ATOM 864 C LYS A 53 10.409 8.197 -7.984 1.00 0.00 C ATOM 865 O LYS A 53 9.853 9.268 -8.227 1.00 0.00 O ATOM 866 CB LYS A 53 8.798 6.383 -8.547 1.00 0.00 C ATOM 867 CG LYS A 53 8.361 5.256 -9.473 1.00 0.00 C ATOM 868 CD LYS A 53 6.945 4.798 -9.147 1.00 0.00 C ATOM 869 CE LYS A 53 6.495 3.665 -10.055 1.00 0.00 C ATOM 870 NZ LYS A 53 5.076 3.288 -9.817 1.00 0.00 N ATOM 0 H LYS A 53 10.966 5.206 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 53 10.184 7.278 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.813 6.009 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.052 7.177 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.409 5.593 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.049 4.416 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.899 4.471 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.259 5.639 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.621 3.963 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.133 2.796 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.896 2.344 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.887 3.274 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.451 3.982 -10.275 1.00 0.00 H new ATOM 884 N LYS A 54 11.235 8.008 -6.949 1.00 0.00 N ATOM 885 CA LYS A 54 11.565 9.073 -5.999 1.00 0.00 C ATOM 886 C LYS A 54 10.296 9.596 -5.332 1.00 0.00 C ATOM 887 O LYS A 54 10.124 10.803 -5.144 1.00 0.00 O ATOM 888 CB LYS A 54 12.321 10.200 -6.715 1.00 0.00 C ATOM 889 CG LYS A 54 13.631 9.735 -7.339 1.00 0.00 C ATOM 890 CD LYS A 54 14.255 10.804 -8.226 1.00 0.00 C ATOM 891 CE LYS A 54 14.686 12.026 -7.430 1.00 0.00 C ATOM 892 NZ LYS A 54 15.264 13.074 -8.310 1.00 0.00 N ATOM 0 H LYS A 54 11.690 7.118 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 54 12.213 8.671 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.684 10.621 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.527 11.000 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.332 9.465 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.452 8.835 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.118 10.386 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.538 11.104 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.829 12.433 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.421 11.733 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.547 13.893 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.096 12.693 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.553 13.371 -9.009 1.00 0.00 H new ATOM 906 N LEU A 55 9.422 8.662 -4.965 1.00 0.00 N ATOM 907 CA LEU A 55 8.113 8.989 -4.409 1.00 0.00 C ATOM 908 C LEU A 55 8.225 9.777 -3.113 1.00 0.00 C ATOM 909 O LEU A 55 8.902 9.362 -2.169 1.00 0.00 O ATOM 910 CB LEU A 55 7.289 7.722 -4.164 1.00 0.00 C ATOM 911 CG LEU A 55 6.930 6.915 -5.410 1.00 0.00 C ATOM 912 CD1 LEU A 55 6.039 5.743 -5.041 1.00 0.00 C ATOM 913 CD2 LEU A 55 6.238 7.795 -6.437 1.00 0.00 C ATOM 0 H LEU A 55 9.601 7.661 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 55 7.608 9.612 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.843 7.076 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.366 8.003 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 55 7.852 6.532 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.791 5.177 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.562 5.096 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.123 6.113 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.991 7.201 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.324 8.206 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.902 8.610 -6.724 1.00 0.00 H new ATOM 925 N ASN A 56 7.563 10.923 -3.089 1.00 0.00 N ATOM 926 CA ASN A 56 7.468 11.736 -1.889 1.00 0.00 C ATOM 927 C ASN A 56 6.167 11.429 -1.155 1.00 0.00 C ATOM 928 O ASN A 56 5.077 11.711 -1.658 1.00 0.00 O ATOM 929 CB ASN A 56 7.537 13.220 -2.251 1.00 0.00 C ATOM 930 CG ASN A 56 7.346 14.126 -1.053 1.00 0.00 C ATOM 931 OD1 ASN A 56 7.653 13.753 0.078 1.00 0.00 O ATOM 932 ND2 ASN A 56 6.834 15.320 -1.297 1.00 0.00 N ATOM 0 H ASN A 56 7.079 11.314 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 56 8.306 11.500 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.502 13.432 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.773 13.444 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.679 15.975 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.594 15.587 -2.252 1.00 0.00 H new ATOM 939 N MET A 57 6.287 10.848 0.032 1.00 0.00 N ATOM 940 CA MET A 57 5.123 10.455 0.823 1.00 0.00 C ATOM 941 C MET A 57 4.523 11.644 1.563 1.00 0.00 C ATOM 942 O MET A 57 3.504 11.512 2.244 1.00 0.00 O ATOM 943 CB MET A 57 5.487 9.353 1.825 1.00 0.00 C ATOM 944 CG MET A 57 5.582 7.962 1.213 1.00 0.00 C ATOM 945 SD MET A 57 6.884 7.813 -0.025 1.00 0.00 S ATOM 946 CE MET A 57 6.662 6.109 -0.529 1.00 0.00 C ATOM 0 H MET A 57 7.183 10.637 0.472 1.00 0.00 H new ATOM 0 HA MET A 57 4.378 10.070 0.127 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.442 9.600 2.289 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.741 9.338 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.760 7.235 2.006 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.626 7.708 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.060 5.972 -1.534 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.190 5.453 0.163 1.00 0.00 H new ATOM 0 HE3 MET A 57 5.600 5.863 -0.523 1.00 0.00 H new ATOM 956 N MET A 58 5.152 12.804 1.425 1.00 0.00 N ATOM 957 CA MET A 58 4.643 14.027 2.035 1.00 0.00 C ATOM 958 C MET A 58 3.641 14.699 1.100 1.00 0.00 C ATOM 959 O MET A 58 3.095 15.763 1.403 1.00 0.00 O ATOM 960 CB MET A 58 5.795 14.985 2.365 1.00 0.00 C ATOM 961 CG MET A 58 6.838 14.375 3.291 1.00 0.00 C ATOM 962 SD MET A 58 8.170 15.514 3.727 1.00 0.00 S ATOM 963 CE MET A 58 8.837 15.909 2.112 1.00 0.00 C ATOM 0 H MET A 58 6.016 12.924 0.896 1.00 0.00 H new ATOM 0 HA MET A 58 4.137 13.769 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.278 15.294 1.438 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.389 15.884 2.828 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.348 14.036 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.266 13.494 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.680 16.591 2.223 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.172 14.994 1.623 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.065 16.383 1.505 1.00 0.00 H new ATOM 973 N ASN A 59 3.405 14.061 -0.038 1.00 0.00 N ATOM 974 CA ASN A 59 2.457 14.553 -1.029 1.00 0.00 C ATOM 975 C ASN A 59 1.405 13.485 -1.323 1.00 0.00 C ATOM 976 O ASN A 59 1.736 12.310 -1.510 1.00 0.00 O ATOM 977 CB ASN A 59 3.193 14.957 -2.311 1.00 0.00 C ATOM 978 CG ASN A 59 2.254 15.195 -3.480 1.00 0.00 C ATOM 979 OD1 ASN A 59 1.957 14.276 -4.241 1.00 0.00 O ATOM 980 ND2 ASN A 59 1.778 16.423 -3.629 1.00 0.00 N ATOM 0 H ASN A 59 3.864 13.189 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 59 1.953 15.434 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.769 15.863 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.905 14.176 -2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.141 16.633 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.049 17.158 -2.976 1.00 0.00 H new ATOM 987 N ALA A 60 0.145 13.901 -1.367 1.00 0.00 N ATOM 988 CA ALA A 60 -0.976 12.974 -1.487 1.00 0.00 C ATOM 989 C ALA A 60 -0.976 12.212 -2.812 1.00 0.00 C ATOM 990 O ALA A 60 -1.363 11.044 -2.854 1.00 0.00 O ATOM 991 CB ALA A 60 -2.290 13.719 -1.317 1.00 0.00 C ATOM 0 H ALA A 60 -0.128 14.883 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.862 12.235 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.120 13.018 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.318 14.188 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.376 14.486 -2.087 1.00 0.00 H new ATOM 997 N GLU A 61 -0.527 12.855 -3.884 1.00 0.00 N ATOM 998 CA GLU A 61 -0.606 12.258 -5.216 1.00 0.00 C ATOM 999 C GLU A 61 0.311 11.045 -5.339 1.00 0.00 C ATOM 1000 O GLU A 61 -0.042 10.055 -5.978 1.00 0.00 O ATOM 1001 CB GLU A 61 -0.279 13.286 -6.304 1.00 0.00 C ATOM 1002 CG GLU A 61 -1.155 14.530 -6.255 1.00 0.00 C ATOM 1003 CD GLU A 61 -2.622 14.210 -6.030 1.00 0.00 C ATOM 1004 OE1 GLU A 61 -3.232 13.528 -6.881 1.00 0.00 O ATOM 1005 OE2 GLU A 61 -3.171 14.637 -4.993 1.00 0.00 O ATOM 0 H GLU A 61 -0.107 13.784 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.633 11.922 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.765 13.584 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.387 12.815 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.804 15.184 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.048 15.081 -7.189 1.00 0.00 H new ATOM 1012 N HIS A 62 1.478 11.105 -4.715 1.00 0.00 N ATOM 1013 CA HIS A 62 2.401 9.974 -4.755 1.00 0.00 C ATOM 1014 C HIS A 62 1.995 8.938 -3.717 1.00 0.00 C ATOM 1015 O HIS A 62 2.288 7.751 -3.853 1.00 0.00 O ATOM 1016 CB HIS A 62 3.845 10.425 -4.522 1.00 0.00 C ATOM 1017 CG HIS A 62 4.295 11.503 -5.458 1.00 0.00 C ATOM 1018 ND1 HIS A 62 4.581 11.286 -6.789 1.00 0.00 N ATOM 1019 CD2 HIS A 62 4.478 12.825 -5.249 1.00 0.00 C ATOM 1020 CE1 HIS A 62 4.917 12.432 -7.355 1.00 0.00 C ATOM 1021 NE2 HIS A 62 4.863 13.381 -6.441 1.00 0.00 N ATOM 0 H HIS A 62 1.807 11.910 -4.182 1.00 0.00 H new ATOM 0 HA HIS A 62 2.350 9.527 -5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.945 10.781 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.507 9.565 -4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.345 13.348 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.190 12.568 -8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.073 14.367 -6.596 1.00 0.00 H new ATOM 1030 N ARG A 63 1.301 9.401 -2.683 1.00 0.00 N ATOM 1031 CA ARG A 63 0.797 8.523 -1.637 1.00 0.00 C ATOM 1032 C ARG A 63 -0.348 7.659 -2.168 1.00 0.00 C ATOM 1033 O ARG A 63 -0.387 6.448 -1.931 1.00 0.00 O ATOM 1034 CB ARG A 63 0.332 9.354 -0.434 1.00 0.00 C ATOM 1035 CG ARG A 63 -0.293 8.536 0.687 1.00 0.00 C ATOM 1036 CD ARG A 63 0.687 7.534 1.278 1.00 0.00 C ATOM 1037 NE ARG A 63 0.037 6.643 2.234 1.00 0.00 N ATOM 1038 CZ ARG A 63 -0.361 5.404 1.940 1.00 0.00 C ATOM 1039 NH1 ARG A 63 -0.156 4.907 0.729 1.00 0.00 N ATOM 1040 NH2 ARG A 63 -0.974 4.660 2.850 1.00 0.00 N ATOM 0 H ARG A 63 1.074 10.386 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 63 1.602 7.862 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.185 9.904 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.392 10.093 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.644 9.206 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.166 8.007 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.133 6.945 0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.499 8.067 1.772 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.122 6.987 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.308 5.472 0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.462 3.959 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.145 5.034 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.275 3.714 2.617 1.00 0.00 H new ATOM 1054 N LYS A 64 -1.269 8.285 -2.898 1.00 0.00 N ATOM 1055 CA LYS A 64 -2.393 7.564 -3.485 1.00 0.00 C ATOM 1056 C LYS A 64 -1.897 6.620 -4.573 1.00 0.00 C ATOM 1057 O LYS A 64 -2.428 5.526 -4.737 1.00 0.00 O ATOM 1058 CB LYS A 64 -3.440 8.533 -4.058 1.00 0.00 C ATOM 1059 CG LYS A 64 -2.940 9.355 -5.240 1.00 0.00 C ATOM 1060 CD LYS A 64 -4.000 10.299 -5.786 1.00 0.00 C ATOM 1061 CE LYS A 64 -4.451 11.305 -4.740 1.00 0.00 C ATOM 1062 NZ LYS A 64 -5.219 12.421 -5.347 1.00 0.00 N ATOM 0 H LYS A 64 -1.258 9.286 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.871 6.982 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.316 7.964 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.764 9.211 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.068 9.932 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.614 8.683 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.604 10.828 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.859 9.722 -6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.067 10.803 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.580 11.703 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.349 13.176 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.698 12.796 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.149 12.074 -5.658 1.00 0.00 H new ATOM 1076 N LEU A 65 -0.864 7.050 -5.301 1.00 0.00 N ATOM 1077 CA LEU A 65 -0.261 6.229 -6.344 1.00 0.00 C ATOM 1078 C LEU A 65 0.237 4.915 -5.756 1.00 0.00 C ATOM 1079 O LEU A 65 0.074 3.852 -6.359 1.00 0.00 O ATOM 1080 CB LEU A 65 0.896 6.982 -7.006 1.00 0.00 C ATOM 1081 CG LEU A 65 1.656 6.204 -8.086 1.00 0.00 C ATOM 1082 CD1 LEU A 65 0.731 5.827 -9.234 1.00 0.00 C ATOM 1083 CD2 LEU A 65 2.836 7.015 -8.597 1.00 0.00 C ATOM 0 H LEU A 65 -0.429 7.965 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.016 6.012 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.504 7.897 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.603 7.280 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 65 2.035 5.285 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.293 5.276 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.080 5.203 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.317 6.731 -9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.364 6.447 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.476 7.952 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.515 7.229 -7.772 1.00 0.00 H new ATOM 1095 N LEU A 66 0.825 5.003 -4.569 1.00 0.00 N ATOM 1096 CA LEU A 66 1.301 3.829 -3.855 1.00 0.00 C ATOM 1097 C LEU A 66 0.152 2.856 -3.605 1.00 0.00 C ATOM 1098 O LEU A 66 0.263 1.669 -3.905 1.00 0.00 O ATOM 1099 CB LEU A 66 1.938 4.247 -2.525 1.00 0.00 C ATOM 1100 CG LEU A 66 2.622 3.126 -1.744 1.00 0.00 C ATOM 1101 CD1 LEU A 66 3.841 2.612 -2.496 1.00 0.00 C ATOM 1102 CD2 LEU A 66 3.011 3.610 -0.353 1.00 0.00 C ATOM 0 H LEU A 66 0.984 5.884 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 66 2.052 3.329 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.672 5.029 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.166 4.687 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 66 1.918 2.301 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.313 1.814 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.533 2.226 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.551 3.426 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.497 2.800 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.697 4.452 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.117 3.924 0.186 1.00 0.00 H new ATOM 1114 N GLU A 67 -0.954 3.373 -3.066 1.00 0.00 N ATOM 1115 CA GLU A 67 -2.147 2.560 -2.820 1.00 0.00 C ATOM 1116 C GLU A 67 -2.663 1.955 -4.120 1.00 0.00 C ATOM 1117 O GLU A 67 -3.018 0.774 -4.183 1.00 0.00 O ATOM 1118 CB GLU A 67 -3.258 3.411 -2.200 1.00 0.00 C ATOM 1119 CG GLU A 67 -2.887 4.053 -0.877 1.00 0.00 C ATOM 1120 CD GLU A 67 -2.651 3.040 0.223 1.00 0.00 C ATOM 1121 OE1 GLU A 67 -3.632 2.618 0.863 1.00 0.00 O ATOM 1122 OE2 GLU A 67 -1.478 2.686 0.464 1.00 0.00 O ATOM 0 H GLU A 67 -1.048 4.351 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.868 1.762 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.536 4.194 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.139 2.786 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.987 4.654 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.683 4.733 -0.573 1.00 0.00 H new ATOM 1129 N GLN A 68 -2.696 2.789 -5.150 1.00 0.00 N ATOM 1130 CA GLN A 68 -3.206 2.409 -6.456 1.00 0.00 C ATOM 1131 C GLN A 68 -2.523 1.156 -6.996 1.00 0.00 C ATOM 1132 O GLN A 68 -3.181 0.141 -7.231 1.00 0.00 O ATOM 1133 CB GLN A 68 -3.028 3.575 -7.427 1.00 0.00 C ATOM 1134 CG GLN A 68 -4.039 4.694 -7.225 1.00 0.00 C ATOM 1135 CD GLN A 68 -3.653 5.976 -7.939 1.00 0.00 C ATOM 1136 OE1 GLN A 68 -4.012 7.069 -7.510 1.00 0.00 O ATOM 1137 NE2 GLN A 68 -2.903 5.856 -9.024 1.00 0.00 N ATOM 0 H GLN A 68 -2.367 3.753 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.265 2.173 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.022 3.980 -7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.110 3.203 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.014 4.364 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.142 4.895 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.624 4.931 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.605 6.688 -9.532 1.00 0.00 H new ATOM 1146 N GLU A 69 -1.208 1.211 -7.176 1.00 0.00 N ATOM 1147 CA GLU A 69 -0.498 0.089 -7.777 1.00 0.00 C ATOM 1148 C GLU A 69 -0.360 -1.077 -6.796 1.00 0.00 C ATOM 1149 O GLU A 69 -0.295 -2.233 -7.211 1.00 0.00 O ATOM 1150 CB GLU A 69 0.864 0.525 -8.341 1.00 0.00 C ATOM 1151 CG GLU A 69 1.789 1.232 -7.356 1.00 0.00 C ATOM 1152 CD GLU A 69 3.075 1.708 -8.022 1.00 0.00 C ATOM 1153 OE1 GLU A 69 3.382 1.234 -9.138 1.00 0.00 O ATOM 1154 OE2 GLU A 69 3.785 2.561 -7.446 1.00 0.00 O ATOM 0 H GLU A 69 -0.621 2.005 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.096 -0.267 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.377 -0.357 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.691 1.188 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.270 2.085 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.034 0.555 -6.538 1.00 0.00 H new ATOM 1161 N MET A 70 -0.366 -0.773 -5.500 1.00 0.00 N ATOM 1162 CA MET A 70 -0.297 -1.803 -4.468 1.00 0.00 C ATOM 1163 C MET A 70 -1.478 -2.759 -4.573 1.00 0.00 C ATOM 1164 O MET A 70 -1.308 -3.966 -4.737 1.00 0.00 O ATOM 1165 CB MET A 70 -0.282 -1.166 -3.076 1.00 0.00 C ATOM 1166 CG MET A 70 -0.161 -2.173 -1.943 1.00 0.00 C ATOM 1167 SD MET A 70 -0.439 -1.442 -0.319 1.00 0.00 S ATOM 1168 CE MET A 70 0.753 -0.104 -0.323 1.00 0.00 C ATOM 0 H MET A 70 -0.418 0.180 -5.140 1.00 0.00 H new ATOM 0 HA MET A 70 0.625 -2.364 -4.619 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.550 -0.464 -3.017 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.197 -0.589 -2.941 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.879 -2.978 -2.101 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.832 -2.622 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.928 0.230 0.700 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.690 -0.453 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.367 0.726 -0.915 1.00 0.00 H new ATOM 1178 N VAL A 71 -2.679 -2.204 -4.493 1.00 0.00 N ATOM 1179 CA VAL A 71 -3.894 -3.003 -4.514 1.00 0.00 C ATOM 1180 C VAL A 71 -4.128 -3.615 -5.895 1.00 0.00 C ATOM 1181 O VAL A 71 -4.683 -4.705 -6.017 1.00 0.00 O ATOM 1182 CB VAL A 71 -5.120 -2.161 -4.096 1.00 0.00 C ATOM 1183 CG1 VAL A 71 -6.393 -2.992 -4.112 1.00 0.00 C ATOM 1184 CG2 VAL A 71 -4.908 -1.551 -2.716 1.00 0.00 C ATOM 0 H VAL A 71 -2.837 -1.200 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.765 -3.811 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.231 -1.356 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.237 -2.370 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.564 -3.377 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.292 -3.825 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.783 -0.962 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.761 -2.346 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.028 -0.908 -2.734 1.00 0.00 H new ATOM 1194 N SER A 72 -3.683 -2.928 -6.934 1.00 0.00 N ATOM 1195 CA SER A 72 -3.852 -3.421 -8.293 1.00 0.00 C ATOM 1196 C SER A 72 -2.992 -4.662 -8.524 1.00 0.00 C ATOM 1197 O SER A 72 -3.304 -5.489 -9.373 1.00 0.00 O ATOM 1198 CB SER A 72 -3.500 -2.331 -9.306 1.00 0.00 C ATOM 1199 OG SER A 72 -3.884 -2.702 -10.620 1.00 0.00 O ATOM 0 H SER A 72 -3.204 -2.030 -6.864 1.00 0.00 H new ATOM 0 HA SER A 72 -4.898 -3.696 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.996 -1.401 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.427 -2.140 -9.279 1.00 0.00 H new ATOM 0 HG SER A 72 -3.648 -1.985 -11.245 1.00 0.00 H new ATOM 1205 N PHE A 73 -1.913 -4.793 -7.764 1.00 0.00 N ATOM 1206 CA PHE A 73 -1.052 -5.961 -7.872 1.00 0.00 C ATOM 1207 C PHE A 73 -1.525 -7.066 -6.933 1.00 0.00 C ATOM 1208 O PHE A 73 -1.657 -8.220 -7.335 1.00 0.00 O ATOM 1209 CB PHE A 73 0.395 -5.579 -7.547 1.00 0.00 C ATOM 1210 CG PHE A 73 1.386 -6.695 -7.741 1.00 0.00 C ATOM 1211 CD1 PHE A 73 2.016 -6.874 -8.963 1.00 0.00 C ATOM 1212 CD2 PHE A 73 1.698 -7.555 -6.700 1.00 0.00 C ATOM 1213 CE1 PHE A 73 2.938 -7.888 -9.141 1.00 0.00 C ATOM 1214 CE2 PHE A 73 2.618 -8.572 -6.873 1.00 0.00 C ATOM 1215 CZ PHE A 73 3.239 -8.737 -8.096 1.00 0.00 C ATOM 0 H PHE A 73 -1.615 -4.108 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.101 -6.333 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.686 -4.736 -8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.446 -5.239 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.784 -6.213 -9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.216 -7.429 -5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.423 -8.016 -10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.851 -9.236 -6.054 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.959 -9.530 -8.234 1.00 0.00 H new ATOM 1225 N LEU A 74 -1.785 -6.699 -5.684 1.00 0.00 N ATOM 1226 CA LEU A 74 -2.132 -7.669 -4.653 1.00 0.00 C ATOM 1227 C LEU A 74 -3.564 -8.188 -4.806 1.00 0.00 C ATOM 1228 O LEU A 74 -3.829 -9.370 -4.584 1.00 0.00 O ATOM 1229 CB LEU A 74 -1.945 -7.050 -3.267 1.00 0.00 C ATOM 1230 CG LEU A 74 -0.506 -6.659 -2.916 1.00 0.00 C ATOM 1231 CD1 LEU A 74 -0.453 -6.014 -1.544 1.00 0.00 C ATOM 1232 CD2 LEU A 74 0.414 -7.873 -2.959 1.00 0.00 C ATOM 0 H LEU A 74 -1.762 -5.732 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.462 -8.521 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.573 -6.162 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.305 -7.757 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.161 -5.940 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.576 -5.742 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.075 -5.119 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.822 -6.717 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.430 -7.569 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.069 -8.617 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.403 -8.303 -3.961 1.00 0.00 H new ATOM 1244 N PHE A 75 -4.485 -7.311 -5.180 1.00 0.00 N ATOM 1245 CA PHE A 75 -5.892 -7.684 -5.267 1.00 0.00 C ATOM 1246 C PHE A 75 -6.332 -7.865 -6.716 1.00 0.00 C ATOM 1247 O PHE A 75 -7.110 -8.772 -7.018 1.00 0.00 O ATOM 1248 CB PHE A 75 -6.768 -6.624 -4.590 1.00 0.00 C ATOM 1249 CG PHE A 75 -8.234 -6.957 -4.597 1.00 0.00 C ATOM 1250 CD1 PHE A 75 -8.749 -7.892 -3.715 1.00 0.00 C ATOM 1251 CD2 PHE A 75 -9.096 -6.334 -5.485 1.00 0.00 C ATOM 1252 CE1 PHE A 75 -10.095 -8.199 -3.717 1.00 0.00 C ATOM 1253 CE2 PHE A 75 -10.442 -6.637 -5.493 1.00 0.00 C ATOM 1254 CZ PHE A 75 -10.943 -7.571 -4.607 1.00 0.00 C ATOM 0 H PHE A 75 -4.286 -6.342 -5.427 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.013 -8.637 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.438 -6.497 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.619 -5.668 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.090 -8.387 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.710 -5.602 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.484 -8.930 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.103 -6.145 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.996 -7.809 -4.611 1.00 0.00 H new ATOM 1264 N GLU A 76 -5.836 -6.990 -7.595 1.00 0.00 N ATOM 1265 CA GLU A 76 -6.229 -6.985 -9.006 1.00 0.00 C ATOM 1266 C GLU A 76 -7.682 -6.541 -9.154 1.00 0.00 C ATOM 1267 O GLU A 76 -8.609 -7.357 -9.108 1.00 0.00 O ATOM 1268 CB GLU A 76 -6.018 -8.363 -9.649 1.00 0.00 C ATOM 1269 CG GLU A 76 -4.557 -8.751 -9.806 1.00 0.00 C ATOM 1270 CD GLU A 76 -3.907 -8.124 -11.022 1.00 0.00 C ATOM 1271 OE1 GLU A 76 -4.468 -7.156 -11.581 1.00 0.00 O ATOM 1272 OE2 GLU A 76 -2.838 -8.615 -11.446 1.00 0.00 O ATOM 0 H GLU A 76 -5.156 -6.270 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.591 -6.272 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.521 -9.117 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.494 -8.372 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.009 -8.452 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.480 -9.836 -9.878 1.00 0.00 H new ATOM 1279 N GLY A 77 -7.874 -5.238 -9.308 1.00 0.00 N ATOM 1280 CA GLY A 77 -9.208 -4.693 -9.439 1.00 0.00 C ATOM 1281 C GLY A 77 -9.402 -3.452 -8.600 1.00 0.00 C ATOM 1282 O GLY A 77 -10.184 -3.449 -7.649 1.00 0.00 O ATOM 0 H GLY A 77 -7.125 -4.547 -9.344 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.401 -4.456 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.937 -5.447 -9.143 1.00 0.00 H new ATOM 1286 N LYS A 78 -8.685 -2.393 -8.943 1.00 0.00 N ATOM 1287 CA LYS A 78 -8.785 -1.144 -8.210 1.00 0.00 C ATOM 1288 C LYS A 78 -9.877 -0.245 -8.765 1.00 0.00 C ATOM 1289 O LYS A 78 -9.979 -0.039 -9.976 1.00 0.00 O ATOM 1290 CB LYS A 78 -7.453 -0.393 -8.219 1.00 0.00 C ATOM 1291 CG LYS A 78 -6.649 -0.573 -6.945 1.00 0.00 C ATOM 1292 CD LYS A 78 -7.400 -0.037 -5.728 1.00 0.00 C ATOM 1293 CE LYS A 78 -7.640 1.464 -5.804 1.00 0.00 C ATOM 1294 NZ LYS A 78 -8.430 1.947 -4.637 1.00 0.00 N ATOM 0 H LYS A 78 -8.029 -2.375 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.044 -1.404 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.858 -0.734 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.645 0.669 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.427 -1.630 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.694 -0.057 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.358 -0.551 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.833 -0.265 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.684 1.986 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.168 1.704 -6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.217 2.950 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.445 1.838 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.181 1.390 -3.795 1.00 0.00 H new ATOM 1308 N ASP A 79 -10.683 0.289 -7.859 1.00 0.00 N ATOM 1309 CA ASP A 79 -11.703 1.269 -8.201 1.00 0.00 C ATOM 1310 C ASP A 79 -11.048 2.543 -8.729 1.00 0.00 C ATOM 1311 O ASP A 79 -11.424 3.063 -9.781 1.00 0.00 O ATOM 1312 CB ASP A 79 -12.564 1.579 -6.966 1.00 0.00 C ATOM 1313 CG ASP A 79 -11.738 2.042 -5.778 1.00 0.00 C ATOM 1314 OD1 ASP A 79 -10.941 1.230 -5.248 1.00 0.00 O ATOM 1315 OD2 ASP A 79 -11.859 3.215 -5.376 1.00 0.00 O ATOM 0 H ASP A 79 -10.648 0.055 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.345 0.860 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.292 2.349 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.127 0.688 -6.687 1.00 0.00 H new ATOM 1320 N VAL A 80 -10.050 3.026 -7.997 1.00 0.00 N ATOM 1321 CA VAL A 80 -9.284 4.187 -8.416 1.00 0.00 C ATOM 1322 C VAL A 80 -8.490 3.865 -9.676 1.00 0.00 C ATOM 1323 O VAL A 80 -7.737 2.889 -9.714 1.00 0.00 O ATOM 1324 CB VAL A 80 -8.317 4.668 -7.312 1.00 0.00 C ATOM 1325 CG1 VAL A 80 -7.523 5.880 -7.777 1.00 0.00 C ATOM 1326 CG2 VAL A 80 -9.073 4.994 -6.038 1.00 0.00 C ATOM 0 H VAL A 80 -9.754 2.627 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.995 4.988 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.619 3.857 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.849 6.200 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.942 5.617 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.208 6.692 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.371 5.331 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.799 5.783 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.593 4.103 -5.685 1.00 0.00 H new