USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 626 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 64 SER OG : rot 62:sc= 0.421 USER MOD Set 1.2: A 67 ASN : amide:sc= -4.73! C(o=-18!,f=-38!) USER MOD Set 1.3: A 68 GLN :FLIP amide:sc= -14! C(o=-21!,f=-18!) USER MOD Set 2.1: A 57 TYR OH : rot -92:sc= 1.04 USER MOD Set 2.2: A 61 HIS : no HE2:sc= -3.17! C(o=-2.1!,f=-10!) USER MOD Set 3.1: A 31 GLN : amide:sc= -1.93 K(o=-3.7,f=-9.5!) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -111:sc= -1.82 (180deg=-5.35!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.365) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0897 (180deg=-0.591) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc=-0.000365 (180deg=-0.219) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 47 SER OG : rot -68:sc= 0.656 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.68! C(o=-5.1!,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 128:sc= -0.213 (180deg=-1.14) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 72 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.34!) USER MOD Single : A 76 GLN : amide:sc= -0.89! C(o=-0.89!,f=-2.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 107:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.486 0.140 20.258 1.00 0.00 N ATOM 45 CA ILE A 4 -7.621 -0.571 19.670 1.00 0.00 C ATOM 46 C ILE A 4 -7.830 -0.139 18.223 1.00 0.00 C ATOM 47 O ILE A 4 -7.876 1.053 17.921 1.00 0.00 O ATOM 48 CB ILE A 4 -8.883 -0.287 20.473 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.585 -0.417 21.973 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.984 -1.274 20.074 1.00 0.00 C ATOM 51 CD1 ILE A 4 -7.934 -1.771 22.270 1.00 0.00 C ATOM 0 HA ILE A 4 -7.409 -1.640 19.692 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.220 0.728 20.263 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.924 0.389 22.291 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.508 -0.316 22.544 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.885 -1.067 20.651 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.201 -1.167 19.011 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.650 -2.292 20.275 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.728 -1.849 23.338 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.609 -2.573 21.971 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.001 -1.856 21.713 1.00 0.00 H new ATOM 63 N PHE A 5 -7.953 -1.117 17.332 1.00 0.00 N ATOM 64 CA PHE A 5 -8.155 -0.825 15.919 1.00 0.00 C ATOM 65 C PHE A 5 -9.545 -0.240 15.686 1.00 0.00 C ATOM 66 O PHE A 5 -10.539 -0.741 16.212 1.00 0.00 O ATOM 67 CB PHE A 5 -7.986 -2.108 15.094 1.00 0.00 C ATOM 68 CG PHE A 5 -6.513 -2.432 14.945 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.689 -1.588 14.191 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.972 -3.573 15.556 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.329 -1.881 14.048 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.611 -3.866 15.410 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.789 -3.020 14.656 1.00 0.00 C ATOM 0 H PHE A 5 -7.917 -2.110 17.561 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.412 -0.092 15.605 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.502 -2.935 15.581 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.441 -1.982 14.112 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.104 -0.710 13.719 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.605 -4.225 16.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.695 -1.227 13.468 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.195 -4.745 15.879 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.739 -3.246 14.544 1.00 0.00 H new ATOM 83 N THR A 6 -9.602 0.826 14.895 1.00 0.00 N ATOM 84 CA THR A 6 -10.870 1.478 14.594 1.00 0.00 C ATOM 85 C THR A 6 -11.635 0.691 13.539 1.00 0.00 C ATOM 86 O THR A 6 -11.036 0.033 12.688 1.00 0.00 O ATOM 87 CB THR A 6 -10.621 2.899 14.086 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.656 3.535 14.913 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.928 3.692 14.122 1.00 0.00 C ATOM 0 H THR A 6 -8.789 1.255 14.453 1.00 0.00 H new ATOM 0 HA THR A 6 -11.462 1.517 15.508 1.00 0.00 H new ATOM 0 HB THR A 6 -10.251 2.859 13.061 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.495 4.445 14.587 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.749 4.704 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.667 3.204 13.486 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.300 3.733 15.146 1.00 0.00 H new ATOM 97 N VAL A 7 -12.960 0.760 13.597 1.00 0.00 N ATOM 98 CA VAL A 7 -13.786 0.045 12.634 1.00 0.00 C ATOM 99 C VAL A 7 -13.518 0.548 11.221 1.00 0.00 C ATOM 100 O VAL A 7 -13.335 -0.244 10.299 1.00 0.00 O ATOM 101 CB VAL A 7 -15.268 0.231 12.977 1.00 0.00 C ATOM 102 CG1 VAL A 7 -16.144 -0.359 11.863 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.573 -0.482 14.296 1.00 0.00 C ATOM 0 H VAL A 7 -13.479 1.297 14.292 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.534 -1.014 12.682 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.484 1.295 13.073 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.195 -0.222 12.116 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.928 0.148 10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.932 -1.423 11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.626 -0.353 14.544 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.352 -1.545 14.195 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.958 -0.057 15.090 1.00 0.00 H new ATOM 113 N GLN A 8 -13.494 1.867 11.059 1.00 0.00 N ATOM 114 CA GLN A 8 -13.253 2.464 9.750 1.00 0.00 C ATOM 115 C GLN A 8 -11.923 2.000 9.172 1.00 0.00 C ATOM 116 O GLN A 8 -11.819 1.733 7.975 1.00 0.00 O ATOM 117 CB GLN A 8 -13.255 3.988 9.859 1.00 0.00 C ATOM 118 CG GLN A 8 -14.679 4.474 10.124 1.00 0.00 C ATOM 119 CD GLN A 8 -14.680 5.989 10.313 1.00 0.00 C ATOM 120 OE1 GLN A 8 -13.635 6.629 10.195 1.00 0.00 O ATOM 121 NE2 GLN A 8 -15.795 6.604 10.597 1.00 0.00 N ATOM 0 H GLN A 8 -13.637 2.539 11.813 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.053 2.143 9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.594 4.307 10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.873 4.430 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.327 4.202 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.080 3.987 11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.660 6.072 10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.802 7.616 10.722 1.00 0.00 H new ATOM 130 N GLU A 9 -10.910 1.911 10.022 1.00 0.00 N ATOM 131 CA GLU A 9 -9.595 1.481 9.569 1.00 0.00 C ATOM 132 C GLU A 9 -9.644 0.028 9.108 1.00 0.00 C ATOM 133 O GLU A 9 -9.141 -0.310 8.037 1.00 0.00 O ATOM 134 CB GLU A 9 -8.586 1.621 10.709 1.00 0.00 C ATOM 135 CG GLU A 9 -7.185 1.261 10.210 1.00 0.00 C ATOM 136 CD GLU A 9 -6.168 1.460 11.329 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.590 1.622 12.463 1.00 0.00 O ATOM 138 OE2 GLU A 9 -4.984 1.448 11.037 1.00 0.00 O ATOM 0 H GLU A 9 -10.971 2.128 11.017 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.289 2.109 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.595 2.642 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.866 0.969 11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.166 0.226 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.923 1.883 9.354 1.00 0.00 H new ATOM 145 N LEU A 10 -10.255 -0.823 9.923 1.00 0.00 N ATOM 146 CA LEU A 10 -10.372 -2.236 9.591 1.00 0.00 C ATOM 147 C LEU A 10 -11.358 -2.440 8.442 1.00 0.00 C ATOM 148 O LEU A 10 -11.325 -3.461 7.758 1.00 0.00 O ATOM 149 CB LEU A 10 -10.829 -3.041 10.820 1.00 0.00 C ATOM 150 CG LEU A 10 -10.458 -4.532 10.648 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.005 -4.773 11.082 1.00 0.00 C ATOM 152 CD2 LEU A 10 -11.379 -5.399 11.512 1.00 0.00 C ATOM 0 H LEU A 10 -10.675 -0.560 10.815 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.391 -2.593 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.360 -2.643 11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.906 -2.939 10.951 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.573 -4.797 9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.758 -5.827 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.337 -4.167 10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.887 -4.496 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.113 -6.449 11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.266 -5.118 12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.414 -5.248 11.205 1.00 0.00 H new ATOM 164 N LYS A 11 -12.252 -1.472 8.253 1.00 0.00 N ATOM 165 CA LYS A 11 -13.259 -1.573 7.201 1.00 0.00 C ATOM 166 C LYS A 11 -12.596 -1.745 5.838 1.00 0.00 C ATOM 167 O LYS A 11 -13.001 -2.595 5.045 1.00 0.00 O ATOM 168 CB LYS A 11 -14.129 -0.305 7.196 1.00 0.00 C ATOM 169 CG LYS A 11 -15.480 -0.595 6.542 1.00 0.00 C ATOM 170 CD LYS A 11 -16.380 0.634 6.664 1.00 0.00 C ATOM 171 CE LYS A 11 -17.790 0.272 6.204 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.752 -0.169 4.781 1.00 0.00 N ATOM 0 H LYS A 11 -12.300 -0.618 8.808 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.883 -2.445 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.279 0.046 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.619 0.493 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.340 -0.853 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.951 -1.453 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.400 0.984 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.985 1.450 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.196 -0.522 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.451 1.132 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.717 -0.171 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.158 0.484 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.354 -1.128 4.725 1.00 0.00 H new ATOM 186 N GLU A 12 -11.577 -0.936 5.572 1.00 0.00 N ATOM 187 CA GLU A 12 -10.867 -1.013 4.301 1.00 0.00 C ATOM 188 C GLU A 12 -10.132 -2.344 4.177 1.00 0.00 C ATOM 189 O GLU A 12 -10.179 -2.996 3.134 1.00 0.00 O ATOM 190 CB GLU A 12 -9.867 0.139 4.196 1.00 0.00 C ATOM 191 CG GLU A 12 -9.189 0.109 2.823 1.00 0.00 C ATOM 192 CD GLU A 12 -8.246 1.298 2.681 1.00 0.00 C ATOM 193 OE1 GLU A 12 -8.346 2.209 3.486 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.436 1.281 1.768 1.00 0.00 O ATOM 0 H GLU A 12 -11.226 -0.225 6.213 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.594 -0.939 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.378 1.091 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.118 0.057 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.635 -0.822 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.942 0.136 2.036 1.00 0.00 H new ATOM 201 N ARG A 13 -9.455 -2.742 5.249 1.00 0.00 N ATOM 202 CA ARG A 13 -8.716 -3.997 5.248 1.00 0.00 C ATOM 203 C ARG A 13 -9.672 -5.183 5.288 1.00 0.00 C ATOM 204 O ARG A 13 -9.320 -6.290 4.880 1.00 0.00 O ATOM 205 CB ARG A 13 -7.778 -4.052 6.454 1.00 0.00 C ATOM 206 CG ARG A 13 -6.636 -3.053 6.261 1.00 0.00 C ATOM 207 CD ARG A 13 -5.713 -3.089 7.480 1.00 0.00 C ATOM 208 NE ARG A 13 -4.602 -2.161 7.300 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.533 -2.207 8.089 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.473 -3.086 9.053 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.546 -1.374 7.904 1.00 0.00 N ATOM 0 H ARG A 13 -9.403 -2.218 6.122 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.130 -4.050 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.328 -3.820 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.378 -5.059 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.074 -3.297 5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.037 -2.049 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.274 -2.827 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.332 -4.100 7.627 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.646 -1.465 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.246 -3.736 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.654 -3.123 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.594 -0.686 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.727 -1.411 8.511 1.00 0.00 H new ATOM 225 N ALA A 14 -10.881 -4.945 5.785 1.00 0.00 N ATOM 226 CA ALA A 14 -11.878 -6.004 5.876 1.00 0.00 C ATOM 227 C ALA A 14 -12.433 -6.339 4.501 1.00 0.00 C ATOM 228 O ALA A 14 -13.102 -7.356 4.320 1.00 0.00 O ATOM 229 CB ALA A 14 -13.020 -5.570 6.795 1.00 0.00 C ATOM 0 H ALA A 14 -11.192 -4.036 6.128 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.397 -6.892 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.760 -6.368 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.627 -5.362 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.488 -4.671 6.394 1.00 0.00 H new ATOM 235 N LYS A 15 -12.152 -5.479 3.537 1.00 0.00 N ATOM 236 CA LYS A 15 -12.631 -5.699 2.182 1.00 0.00 C ATOM 237 C LYS A 15 -12.046 -6.986 1.605 1.00 0.00 C ATOM 238 O LYS A 15 -12.763 -7.766 0.981 1.00 0.00 O ATOM 239 CB LYS A 15 -12.234 -4.508 1.306 1.00 0.00 C ATOM 240 CG LYS A 15 -13.016 -3.252 1.700 1.00 0.00 C ATOM 241 CD LYS A 15 -14.434 -3.307 1.127 1.00 0.00 C ATOM 242 CE LYS A 15 -15.138 -1.994 1.438 1.00 0.00 C ATOM 243 NZ LYS A 15 -16.528 -2.041 0.912 1.00 0.00 N ATOM 0 H LYS A 15 -11.601 -4.630 3.664 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.717 -5.796 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.165 -4.321 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.422 -4.744 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.058 -3.168 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.502 -2.365 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.400 -3.472 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.984 -4.142 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.151 -1.822 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.595 -1.162 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.010 -1.144 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.505 -2.187 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.043 -2.825 1.361 1.00 0.00 H new ATOM 257 N VAL A 16 -10.748 -7.200 1.823 1.00 0.00 N ATOM 258 CA VAL A 16 -10.071 -8.396 1.326 1.00 0.00 C ATOM 259 C VAL A 16 -10.453 -8.670 -0.129 1.00 0.00 C ATOM 260 O VAL A 16 -11.206 -7.912 -0.740 1.00 0.00 O ATOM 261 CB VAL A 16 -10.388 -9.610 2.239 1.00 0.00 C ATOM 262 CG1 VAL A 16 -11.874 -9.997 2.168 1.00 0.00 C ATOM 263 CG2 VAL A 16 -9.527 -10.824 1.839 1.00 0.00 C ATOM 0 H VAL A 16 -10.145 -6.560 2.341 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.994 -8.228 1.353 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.155 -9.316 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.059 -10.851 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.485 -9.154 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.133 -10.261 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.762 -11.667 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.738 -11.094 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.472 -10.571 1.940 1.00 0.00 H new ATOM 273 N PHE A 17 -9.921 -9.754 -0.683 1.00 0.00 N ATOM 274 CA PHE A 17 -10.211 -10.130 -2.065 1.00 0.00 C ATOM 275 C PHE A 17 -11.200 -11.281 -2.075 1.00 0.00 C ATOM 276 O PHE A 17 -10.930 -12.347 -1.523 1.00 0.00 O ATOM 277 CB PHE A 17 -8.927 -10.553 -2.782 1.00 0.00 C ATOM 278 CG PHE A 17 -8.037 -9.352 -2.949 1.00 0.00 C ATOM 279 CD1 PHE A 17 -8.196 -8.512 -4.056 1.00 0.00 C ATOM 280 CD2 PHE A 17 -7.055 -9.073 -1.993 1.00 0.00 C ATOM 281 CE1 PHE A 17 -7.372 -7.393 -4.209 1.00 0.00 C ATOM 282 CE2 PHE A 17 -6.231 -7.954 -2.143 1.00 0.00 C ATOM 283 CZ PHE A 17 -6.389 -7.113 -3.253 1.00 0.00 C ATOM 0 H PHE A 17 -9.287 -10.389 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.637 -9.272 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.413 -11.325 -2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.164 -10.983 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.956 -8.728 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.933 -9.722 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.494 -6.745 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.473 -7.738 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.752 -6.249 -3.371 1.00 0.00 H new ATOM 293 N ALA A 18 -12.349 -11.057 -2.693 1.00 0.00 N ATOM 294 CA ALA A 18 -13.379 -12.084 -2.752 1.00 0.00 C ATOM 295 C ALA A 18 -13.796 -12.508 -1.349 1.00 0.00 C ATOM 296 O ALA A 18 -12.982 -13.017 -0.577 1.00 0.00 O ATOM 297 CB ALA A 18 -12.864 -13.308 -3.507 1.00 0.00 C ATOM 0 H ALA A 18 -12.591 -10.182 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.240 -11.666 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.645 -14.068 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.590 -13.021 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.990 -13.710 -2.995 1.00 0.00 H new ATOM 303 N LYS A 19 -15.071 -12.316 -1.027 1.00 0.00 N ATOM 304 CA LYS A 19 -15.583 -12.701 0.284 1.00 0.00 C ATOM 305 C LYS A 19 -17.088 -13.028 0.206 1.00 0.00 C ATOM 306 O LYS A 19 -17.892 -12.133 -0.057 1.00 0.00 O ATOM 307 CB LYS A 19 -15.372 -11.558 1.282 1.00 0.00 C ATOM 308 CG LYS A 19 -15.890 -11.987 2.681 1.00 0.00 C ATOM 309 CD LYS A 19 -14.910 -11.540 3.771 1.00 0.00 C ATOM 310 CE LYS A 19 -15.508 -11.839 5.147 1.00 0.00 C ATOM 311 NZ LYS A 19 -15.882 -13.280 5.228 1.00 0.00 N ATOM 0 H LYS A 19 -15.764 -11.900 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.042 -13.587 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.314 -11.301 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.900 -10.666 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.871 -11.549 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.013 -13.070 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.959 -12.059 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.705 -10.474 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.788 -11.595 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.386 -11.215 5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.013 -13.549 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.768 -13.438 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.126 -13.859 4.810 1.00 0.00 H new ATOM 325 N PRO A 20 -17.499 -14.264 0.444 1.00 0.00 N ATOM 326 CA PRO A 20 -18.950 -14.633 0.405 1.00 0.00 C ATOM 327 C PRO A 20 -19.812 -13.715 1.276 1.00 0.00 C ATOM 328 O PRO A 20 -19.398 -13.295 2.357 1.00 0.00 O ATOM 329 CB PRO A 20 -18.983 -16.076 0.943 1.00 0.00 C ATOM 330 CG PRO A 20 -17.615 -16.628 0.694 1.00 0.00 C ATOM 331 CD PRO A 20 -16.649 -15.440 0.747 1.00 0.00 C ATOM 0 HA PRO A 20 -19.359 -14.536 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.225 -16.093 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.743 -16.667 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.355 -17.373 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.567 -17.123 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.181 -15.351 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.845 -15.548 0.019 1.00 0.00 H new ATOM 339 N ILE A 21 -21.017 -13.418 0.794 1.00 0.00 N ATOM 340 CA ILE A 21 -21.940 -12.557 1.527 1.00 0.00 C ATOM 341 C ILE A 21 -22.550 -13.313 2.701 1.00 0.00 C ATOM 342 O ILE A 21 -22.932 -14.477 2.571 1.00 0.00 O ATOM 343 CB ILE A 21 -23.058 -12.070 0.600 1.00 0.00 C ATOM 344 CG1 ILE A 21 -23.932 -11.060 1.349 1.00 0.00 C ATOM 345 CG2 ILE A 21 -23.915 -13.258 0.160 1.00 0.00 C ATOM 346 CD1 ILE A 21 -24.897 -10.391 0.366 1.00 0.00 C ATOM 0 H ILE A 21 -21.375 -13.760 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.384 -11.699 1.904 1.00 0.00 H new ATOM 0 HB ILE A 21 -22.621 -11.596 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -24.491 -11.562 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -23.306 -10.308 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -24.710 -12.909 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -23.293 -13.978 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -24.354 -13.734 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -25.519 -9.672 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -24.329 -9.875 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -25.531 -11.149 -0.094 1.00 0.00 H new ATOM 358 N GLY A 22 -22.637 -12.647 3.847 1.00 0.00 N ATOM 359 CA GLY A 22 -23.200 -13.268 5.041 1.00 0.00 C ATOM 360 C GLY A 22 -23.650 -12.212 6.044 1.00 0.00 C ATOM 361 O GLY A 22 -24.551 -12.453 6.848 1.00 0.00 O ATOM 0 H GLY A 22 -22.327 -11.684 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.047 -13.896 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.457 -13.919 5.502 1.00 0.00 H new ATOM 365 N ALA A 23 -23.020 -11.043 5.989 1.00 0.00 N ATOM 366 CA ALA A 23 -23.367 -9.952 6.896 1.00 0.00 C ATOM 367 C ALA A 23 -23.013 -10.316 8.336 1.00 0.00 C ATOM 368 O ALA A 23 -23.117 -9.485 9.238 1.00 0.00 O ATOM 369 CB ALA A 23 -24.863 -9.640 6.791 1.00 0.00 C ATOM 0 H ALA A 23 -22.271 -10.826 5.331 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.794 -9.070 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.113 -8.825 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -25.103 -9.347 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.439 -10.526 7.059 1.00 0.00 H new ATOM 375 N SER A 24 -22.596 -11.560 8.542 1.00 0.00 N ATOM 376 CA SER A 24 -22.232 -12.022 9.877 1.00 0.00 C ATOM 377 C SER A 24 -20.849 -11.508 10.264 1.00 0.00 C ATOM 378 O SER A 24 -20.484 -11.502 11.439 1.00 0.00 O ATOM 379 CB SER A 24 -22.239 -13.549 9.916 1.00 0.00 C ATOM 380 OG SER A 24 -21.318 -14.048 8.954 1.00 0.00 O ATOM 0 H SER A 24 -22.502 -12.262 7.808 1.00 0.00 H new ATOM 0 HA SER A 24 -22.962 -11.635 10.588 1.00 0.00 H new ATOM 0 HB2 SER A 24 -21.968 -13.900 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.240 -13.925 9.707 1.00 0.00 H new ATOM 0 HG SER A 24 -21.319 -15.028 8.978 1.00 0.00 H new ATOM 386 N TYR A 25 -20.084 -11.072 9.267 1.00 0.00 N ATOM 387 CA TYR A 25 -18.744 -10.553 9.518 1.00 0.00 C ATOM 388 C TYR A 25 -18.813 -9.134 10.074 1.00 0.00 C ATOM 389 O TYR A 25 -17.887 -8.673 10.742 1.00 0.00 O ATOM 390 CB TYR A 25 -17.931 -10.556 8.222 1.00 0.00 C ATOM 391 CG TYR A 25 -18.566 -9.614 7.228 1.00 0.00 C ATOM 392 CD1 TYR A 25 -18.190 -8.267 7.202 1.00 0.00 C ATOM 393 CD2 TYR A 25 -19.530 -10.089 6.330 1.00 0.00 C ATOM 394 CE1 TYR A 25 -18.778 -7.393 6.279 1.00 0.00 C ATOM 395 CE2 TYR A 25 -20.117 -9.216 5.407 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.742 -7.868 5.383 1.00 0.00 C ATOM 397 OH TYR A 25 -20.320 -7.007 4.472 1.00 0.00 O ATOM 0 H TYR A 25 -20.366 -11.068 8.287 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.259 -11.195 10.253 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -16.904 -10.251 8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.889 -11.564 7.809 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.446 -7.901 7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -19.820 -11.129 6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.488 -6.353 6.259 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.859 -9.583 4.713 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.968 -7.497 3.924 1.00 0.00 H new ATOM 407 N GLN A 26 -19.916 -8.446 9.794 1.00 0.00 N ATOM 408 CA GLN A 26 -20.097 -7.079 10.270 1.00 0.00 C ATOM 409 C GLN A 26 -20.177 -7.050 11.793 1.00 0.00 C ATOM 410 O GLN A 26 -19.754 -6.084 12.429 1.00 0.00 O ATOM 411 CB GLN A 26 -21.375 -6.482 9.677 1.00 0.00 C ATOM 412 CG GLN A 26 -21.475 -5.004 10.059 1.00 0.00 C ATOM 413 CD GLN A 26 -22.726 -4.389 9.442 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.411 -5.069 8.562 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -23.090 -3.260 9.769 1.00 0.00 N flip ATOM 0 H GLN A 26 -20.693 -8.810 9.243 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.240 -6.486 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.369 -6.588 8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.246 -7.023 10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.507 -4.902 11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -20.589 -4.470 9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.554 -2.730 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.928 -2.854 9.353 1.00 0.00 H new ATOM 424 N GLY A 27 -20.724 -8.113 12.369 1.00 0.00 N ATOM 425 CA GLY A 27 -20.857 -8.205 13.819 1.00 0.00 C ATOM 426 C GLY A 27 -19.489 -8.177 14.493 1.00 0.00 C ATOM 427 O GLY A 27 -19.349 -7.688 15.613 1.00 0.00 O ATOM 0 H GLY A 27 -21.081 -8.920 11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.465 -7.378 14.186 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.378 -9.125 14.083 1.00 0.00 H new ATOM 431 N ILE A 28 -18.486 -8.710 13.805 1.00 0.00 N ATOM 432 CA ILE A 28 -17.133 -8.745 14.349 1.00 0.00 C ATOM 433 C ILE A 28 -16.555 -7.336 14.443 1.00 0.00 C ATOM 434 O ILE A 28 -15.671 -7.072 15.258 1.00 0.00 O ATOM 435 CB ILE A 28 -16.233 -9.607 13.462 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.852 -10.999 13.313 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.847 -9.731 14.102 1.00 0.00 C ATOM 438 CD1 ILE A 28 -16.036 -11.821 12.315 1.00 0.00 C ATOM 0 H ILE A 28 -18.582 -9.121 12.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.177 -9.176 15.349 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.137 -9.142 12.481 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -16.876 -11.502 14.280 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.884 -10.914 12.972 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.207 -10.346 13.468 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.406 -8.740 14.210 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.940 -10.196 15.084 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.479 -12.811 12.211 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.035 -11.321 11.347 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.012 -11.918 12.675 1.00 0.00 H new ATOM 450 N LEU A 29 -17.056 -6.434 13.601 1.00 0.00 N ATOM 451 CA LEU A 29 -16.579 -5.052 13.593 1.00 0.00 C ATOM 452 C LEU A 29 -17.421 -4.195 14.536 1.00 0.00 C ATOM 453 O LEU A 29 -16.920 -3.255 15.150 1.00 0.00 O ATOM 454 CB LEU A 29 -16.661 -4.487 12.166 1.00 0.00 C ATOM 455 CG LEU A 29 -15.449 -4.953 11.355 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.453 -6.480 11.255 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.512 -4.348 9.949 1.00 0.00 C ATOM 0 H LEU A 29 -17.788 -6.633 12.919 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.544 -5.034 13.933 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.581 -4.819 11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.693 -3.398 12.197 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.535 -4.626 11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.589 -6.809 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.406 -6.910 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.367 -6.810 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.649 -4.680 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.427 -4.673 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.505 -3.260 10.020 1.00 0.00 H new ATOM 469 N ASP A 30 -18.698 -4.530 14.650 1.00 0.00 N ATOM 470 CA ASP A 30 -19.595 -3.788 15.527 1.00 0.00 C ATOM 471 C ASP A 30 -19.123 -3.888 16.975 1.00 0.00 C ATOM 472 O ASP A 30 -19.201 -2.920 17.731 1.00 0.00 O ATOM 473 CB ASP A 30 -21.022 -4.327 15.404 1.00 0.00 C ATOM 474 CG ASP A 30 -21.621 -3.909 14.064 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.032 -3.063 13.412 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.657 -4.444 13.708 1.00 0.00 O ATOM 0 H ASP A 30 -19.135 -5.305 14.151 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.586 -2.741 15.226 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.018 -5.414 15.487 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.635 -3.947 16.221 1.00 0.00 H new ATOM 481 N GLN A 31 -18.633 -5.064 17.355 1.00 0.00 N ATOM 482 CA GLN A 31 -18.151 -5.273 18.716 1.00 0.00 C ATOM 483 C GLN A 31 -16.935 -4.407 19.007 1.00 0.00 C ATOM 484 O GLN A 31 -16.704 -4.018 20.149 1.00 0.00 O ATOM 485 CB GLN A 31 -17.787 -6.744 18.936 1.00 0.00 C ATOM 486 CG GLN A 31 -19.062 -7.576 19.033 1.00 0.00 C ATOM 487 CD GLN A 31 -18.710 -9.050 19.219 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.540 -9.392 19.382 1.00 0.00 O ATOM 489 NE2 GLN A 31 -19.656 -9.949 19.205 1.00 0.00 N ATOM 0 H GLN A 31 -18.559 -5.879 16.747 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.955 -4.991 19.396 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.168 -7.103 18.114 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.200 -6.852 19.848 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -19.669 -7.230 19.870 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -19.660 -7.447 18.131 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -20.627 -9.666 19.070 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.425 -10.935 19.329 1.00 0.00 H new ATOM 498 N LEU A 32 -16.149 -4.117 17.981 1.00 0.00 N ATOM 499 CA LEU A 32 -14.957 -3.306 18.177 1.00 0.00 C ATOM 500 C LEU A 32 -15.351 -1.931 18.702 1.00 0.00 C ATOM 501 O LEU A 32 -14.765 -1.431 19.663 1.00 0.00 O ATOM 502 CB LEU A 32 -14.214 -3.151 16.850 1.00 0.00 C ATOM 503 CG LEU A 32 -13.782 -4.528 16.327 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.120 -4.363 14.955 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.793 -5.188 17.308 1.00 0.00 C ATOM 0 H LEU A 32 -16.310 -4.424 17.022 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.306 -3.797 18.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.857 -2.660 16.119 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.340 -2.514 16.985 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.660 -5.167 16.236 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.812 -5.339 14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.830 -3.915 14.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.247 -3.717 15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.496 -6.164 16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.911 -4.556 17.416 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.272 -5.311 18.279 1.00 0.00 H new ATOM 517 N ASP A 33 -16.364 -1.332 18.083 1.00 0.00 N ATOM 518 CA ASP A 33 -16.842 -0.027 18.519 1.00 0.00 C ATOM 519 C ASP A 33 -17.435 -0.125 19.922 1.00 0.00 C ATOM 520 O ASP A 33 -17.196 0.734 20.769 1.00 0.00 O ATOM 521 CB ASP A 33 -17.894 0.508 17.548 1.00 0.00 C ATOM 522 CG ASP A 33 -18.439 1.837 18.058 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.867 2.371 18.995 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.421 2.305 17.504 1.00 0.00 O ATOM 0 H ASP A 33 -16.864 -1.726 17.286 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.997 0.661 18.536 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.455 0.640 16.559 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.705 -0.212 17.444 1.00 0.00 H new ATOM 529 N LEU A 34 -18.217 -1.178 20.159 1.00 0.00 N ATOM 530 CA LEU A 34 -18.842 -1.375 21.463 1.00 0.00 C ATOM 531 C LEU A 34 -17.781 -1.589 22.538 1.00 0.00 C ATOM 532 O LEU A 34 -17.865 -1.021 23.625 1.00 0.00 O ATOM 533 CB LEU A 34 -19.780 -2.588 21.419 1.00 0.00 C ATOM 534 CG LEU A 34 -20.418 -2.827 22.800 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.176 -1.571 23.266 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.385 -4.011 22.703 1.00 0.00 C ATOM 0 H LEU A 34 -18.430 -1.900 19.471 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.417 -0.482 21.707 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.560 -2.425 20.675 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.225 -3.474 21.110 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.635 -3.046 23.526 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -21.621 -1.756 24.244 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.483 -0.733 23.336 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.962 -1.333 22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.842 -4.188 23.677 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.162 -3.787 21.973 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.840 -4.902 22.391 1.00 0.00 H new ATOM 548 N VAL A 35 -16.786 -2.415 22.229 1.00 0.00 N ATOM 549 CA VAL A 35 -15.719 -2.697 23.187 1.00 0.00 C ATOM 550 C VAL A 35 -15.058 -1.398 23.645 1.00 0.00 C ATOM 551 O VAL A 35 -14.462 -1.343 24.720 1.00 0.00 O ATOM 552 CB VAL A 35 -14.669 -3.621 22.545 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.384 -3.636 23.391 1.00 0.00 C ATOM 554 CG2 VAL A 35 -15.225 -5.050 22.449 1.00 0.00 C ATOM 0 H VAL A 35 -16.695 -2.896 21.334 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.151 -3.194 24.055 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.439 -3.247 21.548 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.650 -4.293 22.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.978 -2.626 23.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.612 -3.999 24.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.479 -5.701 21.994 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.464 -5.415 23.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.127 -5.049 21.837 1.00 0.00 H new ATOM 564 N HIS A 36 -15.164 -0.358 22.828 1.00 0.00 N ATOM 565 CA HIS A 36 -14.563 0.925 23.172 1.00 0.00 C ATOM 566 C HIS A 36 -15.438 1.672 24.174 1.00 0.00 C ATOM 567 O HIS A 36 -14.961 2.120 25.217 1.00 0.00 O ATOM 568 CB HIS A 36 -14.391 1.769 21.909 1.00 0.00 C ATOM 569 CG HIS A 36 -13.698 3.055 22.258 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.342 3.111 22.530 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.160 4.341 22.381 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.035 4.392 22.800 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.107 5.184 22.723 1.00 0.00 N ATOM 0 H HIS A 36 -15.654 -0.375 21.933 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.588 0.744 23.625 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.810 1.220 21.168 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.363 1.977 21.462 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.184 4.651 22.235 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.043 4.738 23.049 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.146 6.191 22.881 1.00 0.00 H new ATOM 581 N GLN A 37 -16.724 1.798 23.853 1.00 0.00 N ATOM 582 CA GLN A 37 -17.667 2.488 24.733 1.00 0.00 C ATOM 583 C GLN A 37 -18.303 1.507 25.713 1.00 0.00 C ATOM 584 O GLN A 37 -19.218 1.865 26.456 1.00 0.00 O ATOM 585 CB GLN A 37 -18.757 3.170 23.901 1.00 0.00 C ATOM 586 CG GLN A 37 -19.480 2.130 23.042 1.00 0.00 C ATOM 587 CD GLN A 37 -20.578 2.804 22.227 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.182 3.777 22.682 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.876 2.344 21.044 1.00 0.00 N ATOM 0 H GLN A 37 -17.136 1.433 22.994 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.121 3.243 25.299 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.468 3.671 24.557 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -18.315 3.937 23.265 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.770 1.638 22.376 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.910 1.356 23.678 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -20.375 1.539 20.669 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -21.610 2.790 20.494 1.00 0.00 H new ATOM 598 N ALA A 38 -17.817 0.269 25.714 1.00 0.00 N ATOM 599 CA ALA A 38 -18.354 -0.745 26.609 1.00 0.00 C ATOM 600 C ALA A 38 -17.979 -0.428 28.053 1.00 0.00 C ATOM 601 O ALA A 38 -16.899 0.097 28.324 1.00 0.00 O ATOM 602 CB ALA A 38 -17.806 -2.125 26.228 1.00 0.00 C ATOM 0 H ALA A 38 -17.060 -0.052 25.111 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.440 -0.750 26.516 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.213 -2.877 26.903 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.096 -2.361 25.204 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.719 -2.119 26.305 1.00 0.00 H new ATOM 608 N LYS A 39 -18.876 -0.758 28.973 1.00 0.00 N ATOM 609 CA LYS A 39 -18.633 -0.514 30.389 1.00 0.00 C ATOM 610 C LYS A 39 -17.577 -1.484 30.912 1.00 0.00 C ATOM 611 O LYS A 39 -17.453 -2.590 30.406 1.00 0.00 O ATOM 612 CB LYS A 39 -19.939 -0.684 31.179 1.00 0.00 C ATOM 613 CG LYS A 39 -19.684 -0.457 32.691 1.00 0.00 C ATOM 614 CD LYS A 39 -19.597 -1.806 33.421 1.00 0.00 C ATOM 615 CE LYS A 39 -18.959 -1.604 34.800 1.00 0.00 C ATOM 616 NZ LYS A 39 -19.779 -0.640 35.590 1.00 0.00 N ATOM 0 H LYS A 39 -19.775 -1.193 28.766 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.270 0.506 30.517 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.685 0.024 30.818 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.343 -1.683 31.017 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.759 0.102 32.832 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.487 0.144 33.117 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.592 -2.237 33.529 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.006 -2.510 32.835 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.892 -2.557 35.325 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.942 -1.228 34.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.518 -0.704 36.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.605 0.326 35.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.787 -0.870 35.479 1.00 0.00 H new ATOM 630 N GLY A 40 -16.811 -1.052 31.911 1.00 0.00 N ATOM 631 CA GLY A 40 -15.752 -1.887 32.488 1.00 0.00 C ATOM 632 C GLY A 40 -16.121 -3.373 32.495 1.00 0.00 C ATOM 633 O GLY A 40 -15.538 -4.168 31.757 1.00 0.00 O ATOM 0 H GLY A 40 -16.901 -0.131 32.339 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.832 -1.746 31.921 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.550 -1.560 33.508 1.00 0.00 H new ATOM 637 N ARG A 41 -17.084 -3.741 33.332 1.00 0.00 N ATOM 638 CA ARG A 41 -17.515 -5.134 33.430 1.00 0.00 C ATOM 639 C ARG A 41 -17.996 -5.640 32.073 1.00 0.00 C ATOM 640 O ARG A 41 -17.683 -6.760 31.673 1.00 0.00 O ATOM 641 CB ARG A 41 -18.653 -5.254 34.453 1.00 0.00 C ATOM 642 CG ARG A 41 -19.039 -6.726 34.639 1.00 0.00 C ATOM 643 CD ARG A 41 -20.232 -6.825 35.592 1.00 0.00 C ATOM 644 NE ARG A 41 -19.852 -6.373 36.925 1.00 0.00 N ATOM 645 CZ ARG A 41 -19.094 -7.126 37.714 1.00 0.00 C ATOM 646 NH1 ARG A 41 -18.674 -8.290 37.300 1.00 0.00 N ATOM 647 NH2 ARG A 41 -18.769 -6.701 38.904 1.00 0.00 N ATOM 0 H ARG A 41 -17.580 -3.099 33.950 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.667 -5.739 33.752 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.342 -4.828 35.407 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -19.518 -4.683 34.116 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -19.291 -7.171 33.677 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -18.194 -7.287 35.038 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -21.057 -6.220 35.217 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -20.586 -7.855 35.637 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.173 -5.464 37.257 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.928 -8.622 36.370 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.092 -8.867 37.907 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.097 -5.791 39.228 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.187 -7.279 39.511 1.00 0.00 H new ATOM 661 N ASP A 42 -18.759 -4.809 31.375 1.00 0.00 N ATOM 662 CA ASP A 42 -19.284 -5.180 30.065 1.00 0.00 C ATOM 663 C ASP A 42 -18.149 -5.374 29.064 1.00 0.00 C ATOM 664 O ASP A 42 -18.271 -6.150 28.116 1.00 0.00 O ATOM 665 CB ASP A 42 -20.235 -4.096 29.551 1.00 0.00 C ATOM 666 CG ASP A 42 -20.985 -4.598 28.321 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.938 -5.791 28.069 1.00 0.00 O ATOM 668 OD2 ASP A 42 -21.592 -3.782 27.647 1.00 0.00 O ATOM 0 H ASP A 42 -19.028 -3.877 31.691 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.827 -6.119 30.171 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.944 -3.823 30.333 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -19.673 -3.196 29.302 1.00 0.00 H new ATOM 673 N GLN A 43 -17.053 -4.655 29.274 1.00 0.00 N ATOM 674 CA GLN A 43 -15.908 -4.744 28.381 1.00 0.00 C ATOM 675 C GLN A 43 -15.258 -6.120 28.482 1.00 0.00 C ATOM 676 O GLN A 43 -14.806 -6.681 27.485 1.00 0.00 O ATOM 677 CB GLN A 43 -14.882 -3.663 28.733 1.00 0.00 C ATOM 678 CG GLN A 43 -13.780 -3.640 27.673 1.00 0.00 C ATOM 679 CD GLN A 43 -12.787 -2.523 27.974 1.00 0.00 C ATOM 680 OE1 GLN A 43 -13.082 -1.624 28.762 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.622 -2.522 27.387 1.00 0.00 N ATOM 0 H GLN A 43 -16.934 -4.007 30.052 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.255 -4.592 27.359 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -15.369 -2.689 28.788 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.452 -3.861 29.715 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.264 -4.600 27.653 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.217 -3.492 26.686 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.379 -3.267 26.735 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.954 -1.776 27.581 1.00 0.00 H new ATOM 690 N ILE A 44 -15.217 -6.656 29.697 1.00 0.00 N ATOM 691 CA ILE A 44 -14.622 -7.968 29.928 1.00 0.00 C ATOM 692 C ILE A 44 -15.417 -9.046 29.197 1.00 0.00 C ATOM 693 O ILE A 44 -14.845 -9.926 28.559 1.00 0.00 O ATOM 694 CB ILE A 44 -14.601 -8.274 31.432 1.00 0.00 C ATOM 695 CG1 ILE A 44 -13.618 -7.329 32.132 1.00 0.00 C ATOM 696 CG2 ILE A 44 -14.162 -9.725 31.661 1.00 0.00 C ATOM 697 CD1 ILE A 44 -13.799 -7.439 33.648 1.00 0.00 C ATOM 0 H ILE A 44 -15.587 -6.205 30.534 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.601 -7.961 29.546 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.601 -8.131 31.841 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.594 -7.583 31.858 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.790 -6.303 31.808 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.149 -9.937 32.730 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.861 -10.399 31.166 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.163 -9.872 31.250 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.101 -6.768 34.147 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.820 -7.164 33.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.606 -8.464 33.964 1.00 0.00 H new ATOM 709 N ALA A 45 -16.739 -8.973 29.292 1.00 0.00 N ATOM 710 CA ALA A 45 -17.592 -9.951 28.630 1.00 0.00 C ATOM 711 C ALA A 45 -17.392 -9.903 27.116 1.00 0.00 C ATOM 712 O ALA A 45 -17.398 -10.934 26.444 1.00 0.00 O ATOM 713 CB ALA A 45 -19.060 -9.680 28.968 1.00 0.00 C ATOM 0 H ALA A 45 -17.239 -8.255 29.815 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.318 -10.944 28.986 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.690 -10.416 28.469 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -19.204 -9.751 30.046 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.333 -8.680 28.630 1.00 0.00 H new ATOM 719 N ALA A 46 -17.211 -8.695 26.590 1.00 0.00 N ATOM 720 CA ALA A 46 -17.005 -8.508 25.161 1.00 0.00 C ATOM 721 C ALA A 46 -15.714 -9.181 24.713 1.00 0.00 C ATOM 722 O ALA A 46 -15.636 -9.728 23.612 1.00 0.00 O ATOM 723 CB ALA A 46 -16.950 -7.013 24.839 1.00 0.00 C ATOM 0 H ALA A 46 -17.203 -7.832 27.134 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.838 -8.964 24.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.796 -6.877 23.769 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.888 -6.543 25.133 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.127 -6.553 25.386 1.00 0.00 H new ATOM 729 N SER A 47 -14.696 -9.128 25.565 1.00 0.00 N ATOM 730 CA SER A 47 -13.412 -9.726 25.230 1.00 0.00 C ATOM 731 C SER A 47 -13.552 -11.229 25.022 1.00 0.00 C ATOM 732 O SER A 47 -12.983 -11.791 24.086 1.00 0.00 O ATOM 733 CB SER A 47 -12.394 -9.461 26.340 1.00 0.00 C ATOM 734 OG SER A 47 -12.775 -10.172 27.508 1.00 0.00 O ATOM 0 H SER A 47 -14.735 -8.682 26.482 1.00 0.00 H new ATOM 0 HA SER A 47 -13.063 -9.271 24.303 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.400 -9.773 26.019 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.340 -8.393 26.552 1.00 0.00 H new ATOM 0 HG SER A 47 -13.601 -9.788 27.870 1.00 0.00 H new ATOM 740 N PHE A 48 -14.317 -11.873 25.895 1.00 0.00 N ATOM 741 CA PHE A 48 -14.528 -13.313 25.791 1.00 0.00 C ATOM 742 C PHE A 48 -15.266 -13.654 24.502 1.00 0.00 C ATOM 743 O PHE A 48 -15.007 -14.685 23.886 1.00 0.00 O ATOM 744 CB PHE A 48 -15.326 -13.824 26.999 1.00 0.00 C ATOM 745 CG PHE A 48 -14.422 -13.915 28.211 1.00 0.00 C ATOM 746 CD1 PHE A 48 -13.493 -14.958 28.303 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.511 -12.966 29.237 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.653 -15.054 29.418 1.00 0.00 C ATOM 749 CE2 PHE A 48 -13.670 -13.063 30.354 1.00 0.00 C ATOM 750 CZ PHE A 48 -12.743 -14.107 30.444 1.00 0.00 C ATOM 0 H PHE A 48 -14.798 -11.427 26.676 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.553 -13.801 25.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.160 -13.153 27.206 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.752 -14.803 26.777 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.424 -15.690 27.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.227 -12.160 29.168 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.936 -15.859 29.487 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.738 -12.331 31.146 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.097 -14.182 31.306 1.00 0.00 H new ATOM 760 N GLU A 49 -16.188 -12.792 24.101 1.00 0.00 N ATOM 761 CA GLU A 49 -16.954 -13.031 22.886 1.00 0.00 C ATOM 762 C GLU A 49 -16.034 -13.020 21.667 1.00 0.00 C ATOM 763 O GLU A 49 -16.044 -13.951 20.862 1.00 0.00 O ATOM 764 CB GLU A 49 -18.022 -11.947 22.734 1.00 0.00 C ATOM 765 CG GLU A 49 -18.974 -12.317 21.595 1.00 0.00 C ATOM 766 CD GLU A 49 -19.836 -13.504 22.008 1.00 0.00 C ATOM 767 OE1 GLU A 49 -19.776 -13.882 23.167 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.550 -14.015 21.161 1.00 0.00 O ATOM 0 H GLU A 49 -16.423 -11.930 24.592 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.432 -14.008 22.956 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.578 -11.838 23.665 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.551 -10.985 22.530 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.607 -11.465 21.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.405 -12.563 20.699 1.00 0.00 H new ATOM 775 N LEU A 50 -15.237 -11.965 21.544 1.00 0.00 N ATOM 776 CA LEU A 50 -14.308 -11.842 20.427 1.00 0.00 C ATOM 777 C LEU A 50 -13.264 -12.951 20.459 1.00 0.00 C ATOM 778 O LEU A 50 -12.854 -13.458 19.416 1.00 0.00 O ATOM 779 CB LEU A 50 -13.617 -10.477 20.462 1.00 0.00 C ATOM 780 CG LEU A 50 -14.616 -9.370 20.084 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.034 -8.015 20.490 1.00 0.00 C ATOM 782 CD2 LEU A 50 -14.879 -9.371 18.564 1.00 0.00 C ATOM 0 H LEU A 50 -15.215 -11.185 22.201 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.878 -11.933 19.503 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.214 -10.290 21.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.774 -10.469 19.770 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.557 -9.551 20.603 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.736 -7.224 20.226 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.860 -8.001 21.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.091 -7.853 19.968 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.588 -8.581 18.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.943 -9.198 18.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.292 -10.335 18.267 1.00 0.00 H new ATOM 794 N ASN A 51 -12.823 -13.314 21.656 1.00 0.00 N ATOM 795 CA ASN A 51 -11.812 -14.352 21.797 1.00 0.00 C ATOM 796 C ASN A 51 -12.207 -15.602 21.016 1.00 0.00 C ATOM 797 O ASN A 51 -11.407 -16.141 20.254 1.00 0.00 O ATOM 798 CB ASN A 51 -11.650 -14.710 23.274 1.00 0.00 C ATOM 799 CG ASN A 51 -11.027 -13.544 24.035 1.00 0.00 C ATOM 800 OD1 ASN A 51 -10.537 -12.528 23.376 1.00 0.00 O flip ATOM 801 ND2 ASN A 51 -10.991 -13.556 25.264 1.00 0.00 N flip ATOM 0 H ASN A 51 -13.146 -12.910 22.535 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.870 -13.974 21.399 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.621 -14.957 23.704 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.022 -15.596 23.374 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.374 -14.350 25.778 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.578 -12.772 25.770 1.00 0.00 H new ATOM 808 N LYS A 52 -13.442 -16.055 21.204 1.00 0.00 N ATOM 809 CA LYS A 52 -13.922 -17.239 20.497 1.00 0.00 C ATOM 810 C LYS A 52 -13.977 -16.975 18.993 1.00 0.00 C ATOM 811 O LYS A 52 -13.584 -17.822 18.192 1.00 0.00 O ATOM 812 CB LYS A 52 -15.321 -17.648 21.013 1.00 0.00 C ATOM 813 CG LYS A 52 -15.213 -18.535 22.273 1.00 0.00 C ATOM 814 CD LYS A 52 -14.918 -17.684 23.526 1.00 0.00 C ATOM 815 CE LYS A 52 -16.230 -17.221 24.168 1.00 0.00 C ATOM 816 NZ LYS A 52 -16.990 -18.416 24.632 1.00 0.00 N ATOM 0 H LYS A 52 -14.122 -15.627 21.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.226 -18.056 20.686 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.903 -16.755 21.242 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.857 -18.186 20.231 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.143 -19.086 22.414 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.422 -19.273 22.136 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.339 -18.266 24.243 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.312 -16.820 23.254 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.025 -16.556 25.007 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.822 -16.654 23.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.256 -18.292 25.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.848 -18.527 24.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.396 -19.264 24.535 1.00 0.00 H new ATOM 830 N LYS A 53 -14.470 -15.801 18.611 1.00 0.00 N ATOM 831 CA LYS A 53 -14.567 -15.460 17.197 1.00 0.00 C ATOM 832 C LYS A 53 -13.184 -15.415 16.555 1.00 0.00 C ATOM 833 O LYS A 53 -12.958 -16.020 15.508 1.00 0.00 O ATOM 834 CB LYS A 53 -15.248 -14.103 17.045 1.00 0.00 C ATOM 835 CG LYS A 53 -16.722 -14.227 17.410 1.00 0.00 C ATOM 836 CD LYS A 53 -17.361 -12.845 17.349 1.00 0.00 C ATOM 837 CE LYS A 53 -18.875 -12.982 17.443 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.244 -13.629 18.733 1.00 0.00 N ATOM 0 H LYS A 53 -14.804 -15.080 19.250 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.157 -16.226 16.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.764 -13.368 17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.146 -13.746 16.020 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.225 -14.906 16.722 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.829 -14.649 18.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.990 -12.225 18.165 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.087 -12.347 16.419 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.343 -12.000 17.371 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.248 -13.575 16.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.620 -14.581 18.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.402 -13.701 19.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.968 -13.058 19.213 1.00 0.00 H new ATOM 852 N ILE A 54 -12.256 -14.708 17.195 1.00 0.00 N ATOM 853 CA ILE A 54 -10.896 -14.612 16.677 1.00 0.00 C ATOM 854 C ILE A 54 -10.183 -15.955 16.800 1.00 0.00 C ATOM 855 O ILE A 54 -9.520 -16.405 15.866 1.00 0.00 O ATOM 856 CB ILE A 54 -10.117 -13.536 17.446 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.702 -12.158 17.114 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.632 -13.583 17.054 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.126 -11.105 18.065 1.00 0.00 C ATOM 0 H ILE A 54 -12.419 -14.199 18.064 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.944 -14.336 15.624 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.202 -13.720 18.517 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.471 -11.894 16.082 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.788 -12.184 17.201 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.086 -12.816 17.604 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.223 -14.564 17.296 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.532 -13.402 15.984 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.546 -10.128 17.824 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.380 -11.365 19.093 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.042 -11.071 17.957 1.00 0.00 H new ATOM 871 N ASN A 55 -10.320 -16.586 17.960 1.00 0.00 N ATOM 872 CA ASN A 55 -9.680 -17.874 18.193 1.00 0.00 C ATOM 873 C ASN A 55 -10.219 -18.923 17.226 1.00 0.00 C ATOM 874 O ASN A 55 -9.458 -19.695 16.644 1.00 0.00 O ATOM 875 CB ASN A 55 -9.925 -18.327 19.634 1.00 0.00 C ATOM 876 CG ASN A 55 -9.263 -19.678 19.877 1.00 0.00 C ATOM 877 OD1 ASN A 55 -8.180 -19.943 19.353 1.00 0.00 O ATOM 878 ND2 ASN A 55 -9.852 -20.554 20.644 1.00 0.00 N ATOM 0 H ASN A 55 -10.863 -16.231 18.747 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.609 -17.762 18.027 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.527 -17.588 20.329 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.996 -18.398 19.824 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.416 -21.461 20.811 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.749 -20.332 21.077 1.00 0.00 H new ATOM 885 N ASP A 56 -11.537 -18.939 17.059 1.00 0.00 N ATOM 886 CA ASP A 56 -12.175 -19.892 16.157 1.00 0.00 C ATOM 887 C ASP A 56 -11.768 -19.619 14.713 1.00 0.00 C ATOM 888 O ASP A 56 -11.567 -20.545 13.927 1.00 0.00 O ATOM 889 CB ASP A 56 -13.696 -19.798 16.289 1.00 0.00 C ATOM 890 CG ASP A 56 -14.364 -20.813 15.368 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.655 -21.439 14.597 1.00 0.00 O ATOM 892 OD2 ASP A 56 -15.574 -20.951 15.448 1.00 0.00 O ATOM 0 H ASP A 56 -12.182 -18.307 17.533 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.849 -20.896 16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.992 -19.982 17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.029 -18.791 16.037 1.00 0.00 H new ATOM 897 N TYR A 57 -11.655 -18.340 14.372 1.00 0.00 N ATOM 898 CA TYR A 57 -11.280 -17.949 13.018 1.00 0.00 C ATOM 899 C TYR A 57 -9.915 -18.527 12.657 1.00 0.00 C ATOM 900 O TYR A 57 -9.710 -19.009 11.543 1.00 0.00 O ATOM 901 CB TYR A 57 -11.238 -16.423 12.906 1.00 0.00 C ATOM 902 CG TYR A 57 -11.074 -16.029 11.456 1.00 0.00 C ATOM 903 CD1 TYR A 57 -12.198 -15.950 10.628 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.804 -15.741 10.941 1.00 0.00 C ATOM 905 CE1 TYR A 57 -12.056 -15.586 9.284 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.662 -15.377 9.595 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.788 -15.299 8.768 1.00 0.00 C ATOM 908 OH TYR A 57 -10.648 -14.940 7.443 1.00 0.00 O ATOM 0 H TYR A 57 -11.817 -17.561 15.010 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.025 -18.341 12.325 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.155 -15.993 13.310 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.413 -16.027 13.497 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.177 -16.170 11.026 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.935 -15.799 11.580 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.925 -15.527 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.683 -15.157 9.196 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.481 -15.741 6.903 1.00 0.00 H new ATOM 918 N ILE A 58 -8.986 -18.475 13.607 1.00 0.00 N ATOM 919 CA ILE A 58 -7.643 -18.997 13.379 1.00 0.00 C ATOM 920 C ILE A 58 -7.696 -20.497 13.107 1.00 0.00 C ATOM 921 O ILE A 58 -7.025 -20.998 12.205 1.00 0.00 O ATOM 922 CB ILE A 58 -6.762 -18.726 14.604 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.531 -17.219 14.744 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.410 -19.430 14.437 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.894 -16.924 16.103 1.00 0.00 C ATOM 0 H ILE A 58 -9.137 -18.080 14.535 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.217 -18.495 12.510 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.262 -19.106 15.495 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.884 -16.864 13.942 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.477 -16.685 14.650 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.788 -19.234 15.310 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.569 -20.504 14.338 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.911 -19.053 13.544 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.730 -15.851 16.203 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.558 -17.265 16.898 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.940 -17.446 16.179 1.00 0.00 H new ATOM 937 N ALA A 59 -8.497 -21.209 13.892 1.00 0.00 N ATOM 938 CA ALA A 59 -8.625 -22.652 13.723 1.00 0.00 C ATOM 939 C ALA A 59 -9.167 -22.980 12.335 1.00 0.00 C ATOM 940 O ALA A 59 -8.722 -23.930 11.693 1.00 0.00 O ATOM 941 CB ALA A 59 -9.567 -23.220 14.787 1.00 0.00 C ATOM 0 H ALA A 59 -9.062 -20.816 14.644 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.639 -23.102 13.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.658 -24.298 14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.166 -23.009 15.778 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.549 -22.758 14.687 1.00 0.00 H new ATOM 947 N GLU A 60 -10.128 -22.184 11.878 1.00 0.00 N ATOM 948 CA GLU A 60 -10.723 -22.395 10.563 1.00 0.00 C ATOM 949 C GLU A 60 -9.779 -21.920 9.461 1.00 0.00 C ATOM 950 O GLU A 60 -10.064 -22.080 8.275 1.00 0.00 O ATOM 951 CB GLU A 60 -12.050 -21.639 10.465 1.00 0.00 C ATOM 952 CG GLU A 60 -13.069 -22.270 11.416 1.00 0.00 C ATOM 953 CD GLU A 60 -14.370 -21.477 11.383 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.423 -20.494 10.663 1.00 0.00 O ATOM 955 OE2 GLU A 60 -15.295 -21.865 12.076 1.00 0.00 O ATOM 0 H GLU A 60 -10.510 -21.392 12.395 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.902 -23.462 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.902 -20.589 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.424 -21.670 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.256 -23.304 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.670 -22.289 12.430 1.00 0.00 H new ATOM 962 N HIS A 61 -8.653 -21.330 9.864 1.00 0.00 N ATOM 963 CA HIS A 61 -7.662 -20.823 8.909 1.00 0.00 C ATOM 964 C HIS A 61 -6.283 -21.413 9.207 1.00 0.00 C ATOM 965 O HIS A 61 -5.366 -20.694 9.605 1.00 0.00 O ATOM 966 CB HIS A 61 -7.603 -19.295 9.000 1.00 0.00 C ATOM 967 CG HIS A 61 -8.855 -18.715 8.398 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.098 -18.868 8.991 1.00 0.00 N ATOM 969 CD2 HIS A 61 -9.075 -17.998 7.248 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.003 -18.261 8.202 1.00 0.00 C ATOM 971 NE2 HIS A 61 -10.432 -17.713 7.126 1.00 0.00 N ATOM 0 H HIS A 61 -8.403 -21.191 10.843 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.956 -21.119 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.507 -18.984 10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.725 -18.921 8.474 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -10.292 -19.353 9.867 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.311 -17.700 6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.061 -18.222 8.413 1.00 0.00 H new ATOM 979 N PRO A 62 -6.120 -22.703 9.029 1.00 0.00 N ATOM 980 CA PRO A 62 -4.821 -23.394 9.294 1.00 0.00 C ATOM 981 C PRO A 62 -3.750 -23.010 8.273 1.00 0.00 C ATOM 982 O PRO A 62 -2.561 -23.247 8.487 1.00 0.00 O ATOM 983 CB PRO A 62 -5.176 -24.889 9.212 1.00 0.00 C ATOM 984 CG PRO A 62 -6.386 -24.954 8.335 1.00 0.00 C ATOM 985 CD PRO A 62 -7.153 -23.646 8.555 1.00 0.00 C ATOM 0 HA PRO A 62 -4.393 -23.117 10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.353 -25.467 8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.383 -25.300 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.101 -25.066 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.005 -25.814 8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.620 -23.297 7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.949 -23.769 9.289 1.00 0.00 H new ATOM 993 N THR A 63 -4.181 -22.416 7.163 1.00 0.00 N ATOM 994 CA THR A 63 -3.255 -22.001 6.110 1.00 0.00 C ATOM 995 C THR A 63 -2.711 -20.604 6.392 1.00 0.00 C ATOM 996 O THR A 63 -1.847 -20.107 5.670 1.00 0.00 O ATOM 997 CB THR A 63 -3.971 -22.007 4.757 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.988 -21.015 4.757 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.593 -23.383 4.516 1.00 0.00 C ATOM 0 H THR A 63 -5.161 -22.211 6.969 1.00 0.00 H new ATOM 0 HA THR A 63 -2.422 -22.704 6.086 1.00 0.00 H new ATOM 0 HB THR A 63 -3.256 -21.791 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.446 -21.016 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.103 -23.388 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.810 -24.141 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.310 -23.602 5.307 1.00 0.00 H new ATOM 1007 N SER A 64 -3.222 -19.978 7.447 1.00 0.00 N ATOM 1008 CA SER A 64 -2.779 -18.639 7.818 1.00 0.00 C ATOM 1009 C SER A 64 -3.008 -17.660 6.672 1.00 0.00 C ATOM 1010 O SER A 64 -2.954 -18.033 5.500 1.00 0.00 O ATOM 1011 CB SER A 64 -1.294 -18.662 8.180 1.00 0.00 C ATOM 1012 OG SER A 64 -0.939 -17.427 8.788 1.00 0.00 O ATOM 0 H SER A 64 -3.938 -20.373 8.056 1.00 0.00 H new ATOM 0 HA SER A 64 -3.359 -18.313 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.087 -19.488 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.693 -18.826 7.286 1.00 0.00 H new ATOM 0 HG SER A 64 -1.446 -17.314 9.619 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.267 -16.406 7.019 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.505 -15.380 6.012 1.00 0.00 C ATOM 1020 C GLY A 65 -4.032 -14.100 6.650 1.00 0.00 C ATOM 1021 O GLY A 65 -3.270 -13.314 7.213 1.00 0.00 O ATOM 0 H GLY A 65 -3.317 -16.076 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.579 -15.169 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.222 -15.746 5.277 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.343 -13.895 6.554 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.973 -12.706 7.121 1.00 0.00 C ATOM 1027 C ARG A 66 -6.239 -12.910 8.612 1.00 0.00 C ATOM 1028 O ARG A 66 -6.579 -11.967 9.326 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.292 -12.417 6.382 1.00 0.00 C ATOM 1030 CG ARG A 66 -7.020 -11.599 5.114 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.136 -12.405 4.157 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.980 -11.694 2.891 1.00 0.00 N ATOM 1033 CZ ARG A 66 -5.021 -10.789 2.716 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -4.193 -10.513 3.687 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -4.907 -10.177 1.570 1.00 0.00 N ATOM 0 H ARG A 66 -5.988 -14.535 6.090 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.302 -11.855 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.784 -13.354 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.972 -11.872 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.961 -11.343 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.530 -10.661 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.159 -12.575 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.580 -13.385 3.979 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.621 -11.896 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.280 -10.992 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.459 -9.818 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.552 -10.393 0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.172 -9.483 1.434 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.082 -14.147 9.074 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.307 -14.461 10.480 1.00 0.00 C ATOM 1051 C ASN A 67 -5.261 -13.777 11.356 1.00 0.00 C ATOM 1052 O ASN A 67 -5.465 -13.596 12.556 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.244 -15.974 10.698 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.832 -16.478 10.425 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -4.161 -15.983 9.519 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -4.337 -17.435 11.160 1.00 0.00 N ATOM 0 H ASN A 67 -5.802 -14.942 8.500 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.296 -14.096 10.758 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.535 -16.215 11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.952 -16.475 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.392 -17.775 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.895 -17.843 11.910 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.141 -13.400 10.749 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.069 -12.736 11.483 1.00 0.00 C ATOM 1065 C GLN A 68 -3.549 -11.383 12.008 1.00 0.00 C ATOM 1066 O GLN A 68 -3.150 -10.954 13.090 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.842 -12.543 10.571 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.992 -13.821 10.555 1.00 0.00 C ATOM 1069 CD GLN A 68 -1.780 -14.962 9.923 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -1.988 -16.055 10.605 1.00 0.00 O flip ATOM 1071 NE2 GLN A 68 -2.225 -14.851 8.781 1.00 0.00 N flip ATOM 0 H GLN A 68 -3.952 -13.541 9.757 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.785 -13.361 12.329 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.166 -12.299 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.244 -11.703 10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.072 -13.649 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.702 -14.087 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.061 -13.995 8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.758 -15.615 8.365 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.401 -10.716 11.236 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.920 -9.412 11.641 1.00 0.00 C ATOM 1082 C ALA A 69 -5.911 -9.558 12.794 1.00 0.00 C ATOM 1083 O ALA A 69 -5.912 -8.761 13.728 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.610 -8.737 10.456 1.00 0.00 C ATOM 0 H ALA A 69 -4.744 -11.051 10.336 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.084 -8.798 11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.995 -7.765 10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.893 -8.603 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.435 -9.361 10.111 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.752 -10.583 12.721 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.739 -10.823 13.769 1.00 0.00 C ATOM 1092 C LEU A 70 -7.048 -11.166 15.086 1.00 0.00 C ATOM 1093 O LEU A 70 -7.482 -10.739 16.153 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.677 -11.964 13.351 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.771 -11.422 12.428 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.124 -10.706 11.243 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.626 -12.586 11.924 1.00 0.00 C ATOM 0 H LEU A 70 -6.772 -11.256 11.955 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.324 -9.915 13.913 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.111 -12.744 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.126 -12.420 14.233 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.401 -10.719 12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.901 -10.319 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.512 -9.881 11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.497 -11.407 10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.407 -12.205 11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.998 -13.287 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.083 -13.096 12.772 1.00 0.00 H new ATOM 1109 N THR A 71 -5.975 -11.943 15.003 1.00 0.00 N ATOM 1110 CA THR A 71 -5.239 -12.344 16.197 1.00 0.00 C ATOM 1111 C THR A 71 -4.767 -11.119 16.973 1.00 0.00 C ATOM 1112 O THR A 71 -4.725 -11.130 18.203 1.00 0.00 O ATOM 1113 CB THR A 71 -4.037 -13.206 15.808 1.00 0.00 C ATOM 1114 OG1 THR A 71 -4.449 -14.187 14.866 1.00 0.00 O ATOM 1115 CG2 THR A 71 -3.479 -13.895 17.054 1.00 0.00 C ATOM 0 H THR A 71 -5.597 -12.306 14.128 1.00 0.00 H new ATOM 0 HA THR A 71 -5.906 -12.925 16.834 1.00 0.00 H new ATOM 0 HB THR A 71 -3.264 -12.578 15.366 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.437 -13.801 13.965 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.622 -14.509 16.777 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.167 -13.142 17.777 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.250 -14.526 17.497 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.410 -10.069 16.249 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.938 -8.843 16.882 1.00 0.00 C ATOM 1125 C GLN A 72 -5.022 -8.241 17.772 1.00 0.00 C ATOM 1126 O GLN A 72 -4.729 -7.716 18.845 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.550 -7.828 15.810 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.327 -8.327 15.035 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.109 -8.375 15.952 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.731 -7.362 16.537 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.472 -9.503 16.114 1.00 0.00 N ATOM 0 H GLN A 72 -4.437 -10.039 15.230 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.071 -9.086 17.497 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.385 -7.671 15.127 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.331 -6.865 16.271 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.525 -9.319 14.628 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.129 -7.669 14.189 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.788 -10.342 15.627 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.342 -9.546 16.727 1.00 0.00 H new ATOM 1140 N LEU A 73 -6.272 -8.314 17.325 1.00 0.00 N ATOM 1141 CA LEU A 73 -7.379 -7.765 18.102 1.00 0.00 C ATOM 1142 C LEU A 73 -7.493 -8.488 19.439 1.00 0.00 C ATOM 1143 O LEU A 73 -7.683 -7.858 20.479 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.692 -7.910 17.318 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.811 -6.796 16.260 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.840 -7.211 15.201 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.266 -5.478 16.918 1.00 0.00 C ATOM 0 H LEU A 73 -6.542 -8.742 16.440 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.188 -6.708 18.287 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.728 -8.886 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.539 -7.862 18.002 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.836 -6.644 15.796 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.927 -6.425 14.451 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.517 -8.136 14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.808 -7.368 15.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.346 -4.701 16.158 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.237 -5.624 17.391 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.537 -5.177 17.671 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.377 -9.808 19.409 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.468 -10.586 20.639 1.00 0.00 C ATOM 1161 C LYS A 74 -6.378 -10.160 21.622 1.00 0.00 C ATOM 1162 O LYS A 74 -6.640 -9.984 22.811 1.00 0.00 O ATOM 1163 CB LYS A 74 -7.340 -12.077 20.329 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.562 -12.885 21.606 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.515 -14.375 21.272 1.00 0.00 C ATOM 1166 CE LYS A 74 -7.758 -15.191 22.540 1.00 0.00 C ATOM 1167 NZ LYS A 74 -7.732 -16.643 22.206 1.00 0.00 N ATOM 0 H LYS A 74 -7.222 -10.356 18.563 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.441 -10.401 21.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.069 -12.366 19.572 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.353 -12.290 19.918 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.797 -12.641 22.343 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.524 -12.630 22.050 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.270 -14.614 20.523 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.547 -14.631 20.842 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.994 -14.964 23.284 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.720 -14.924 22.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.575 -17.105 22.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.725 -16.761 21.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.878 -17.077 22.610 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.157 -9.994 21.116 1.00 0.00 N ATOM 1182 CA GLU A 75 -4.034 -9.583 21.955 1.00 0.00 C ATOM 1183 C GLU A 75 -4.240 -8.163 22.483 1.00 0.00 C ATOM 1184 O GLU A 75 -3.906 -7.860 23.629 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.734 -9.654 21.151 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.439 -11.111 20.781 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.136 -11.924 22.037 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.774 -11.323 23.035 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.273 -13.135 21.982 1.00 0.00 O ATOM 0 H GLU A 75 -4.921 -10.137 20.134 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.973 -10.261 22.806 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.819 -9.049 20.248 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.911 -9.242 21.734 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.293 -11.541 20.258 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.591 -11.156 20.097 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.780 -7.290 21.643 1.00 0.00 N ATOM 1197 CA GLN A 76 -5.021 -5.913 22.054 1.00 0.00 C ATOM 1198 C GLN A 76 -6.157 -5.830 23.073 1.00 0.00 C ATOM 1199 O GLN A 76 -6.025 -5.178 24.109 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.353 -5.046 20.838 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.089 -4.826 20.007 1.00 0.00 C ATOM 1202 CD GLN A 76 -4.411 -3.975 18.786 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -5.549 -3.538 18.617 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -3.471 -3.707 17.923 1.00 0.00 N ATOM 0 H GLN A 76 -5.056 -7.506 20.685 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.110 -5.542 22.524 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.120 -5.529 20.232 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.759 -4.088 21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.327 -4.335 20.612 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.678 -5.786 19.694 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.529 -4.071 18.066 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.678 -3.134 17.105 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.278 -6.478 22.763 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.436 -6.451 23.653 1.00 0.00 C ATOM 1215 C VAL A 77 -8.106 -7.065 25.014 1.00 0.00 C ATOM 1216 O VAL A 77 -8.378 -6.466 26.056 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.593 -7.225 23.011 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -10.759 -7.327 23.998 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -10.056 -6.500 21.743 1.00 0.00 C ATOM 0 H VAL A 77 -7.409 -7.023 21.911 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.721 -5.411 23.808 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.253 -8.228 22.751 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.579 -7.878 23.537 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.431 -7.850 24.896 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.099 -6.326 24.264 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.879 -7.052 21.288 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.391 -5.495 22.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.228 -6.436 21.037 1.00 0.00 H new ATOM 1229 N THR A 78 -7.519 -8.258 24.998 1.00 0.00 N ATOM 1230 CA THR A 78 -7.158 -8.940 26.238 1.00 0.00 C ATOM 1231 C THR A 78 -6.127 -8.125 27.012 1.00 0.00 C ATOM 1232 O THR A 78 -6.184 -8.034 28.238 1.00 0.00 O ATOM 1233 CB THR A 78 -6.612 -10.342 25.934 1.00 0.00 C ATOM 1234 OG1 THR A 78 -6.558 -11.099 27.134 1.00 0.00 O ATOM 1235 CG2 THR A 78 -5.213 -10.240 25.332 1.00 0.00 C ATOM 0 H THR A 78 -7.284 -8.770 24.148 1.00 0.00 H new ATOM 0 HA THR A 78 -8.052 -9.040 26.853 1.00 0.00 H new ATOM 0 HB THR A 78 -7.272 -10.834 25.219 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.211 -11.995 26.940 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.834 -11.240 25.120 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.256 -9.664 24.407 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.548 -9.743 26.038 1.00 0.00 H new ATOM 1243 N SER A 79 -5.184 -7.539 26.283 1.00 0.00 N ATOM 1244 CA SER A 79 -4.137 -6.734 26.900 1.00 0.00 C ATOM 1245 C SER A 79 -4.740 -5.536 27.626 1.00 0.00 C ATOM 1246 O SER A 79 -4.250 -5.123 28.677 1.00 0.00 O ATOM 1247 CB SER A 79 -3.156 -6.248 25.834 1.00 0.00 C ATOM 1248 OG SER A 79 -2.370 -7.344 25.386 1.00 0.00 O ATOM 0 H SER A 79 -5.123 -7.606 25.267 1.00 0.00 H new ATOM 0 HA SER A 79 -3.607 -7.353 27.624 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.699 -5.808 24.997 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.514 -5.468 26.243 1.00 0.00 H new ATOM 0 HG SER A 79 -2.655 -7.605 24.485 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.805 -4.978 27.058 1.00 0.00 N ATOM 1255 CA ALA A 80 -6.462 -3.826 27.661 1.00 0.00 C ATOM 1256 C ALA A 80 -6.947 -4.159 29.067 1.00 0.00 C ATOM 1257 O ALA A 80 -6.890 -3.324 29.969 1.00 0.00 O ATOM 1258 CB ALA A 80 -7.647 -3.388 26.800 1.00 0.00 C ATOM 0 H ALA A 80 -6.228 -5.302 26.188 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.739 -3.013 27.722 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.132 -2.526 27.259 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.294 -3.118 25.805 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.362 -4.207 26.721 1.00 0.00 H new ATOM 1264 N LEU A 81 -7.421 -5.383 29.245 1.00 0.00 N ATOM 1265 CA LEU A 81 -7.911 -5.819 30.544 1.00 0.00 C ATOM 1266 C LEU A 81 -6.769 -5.873 31.555 1.00 0.00 C ATOM 1267 O LEU A 81 -6.979 -5.694 32.755 1.00 0.00 O ATOM 1268 CB LEU A 81 -8.551 -7.200 30.414 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.581 -7.179 29.282 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -10.193 -8.576 29.141 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -10.690 -6.159 29.594 1.00 0.00 C ATOM 0 H LEU A 81 -7.477 -6.089 28.511 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.655 -5.104 30.896 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.786 -7.950 30.211 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.031 -7.480 31.352 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.091 -6.891 28.352 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.929 -8.572 28.337 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.408 -9.296 28.910 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.679 -8.856 30.075 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.417 -6.152 28.782 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.187 -6.435 30.524 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.252 -5.166 29.697 1.00 0.00 H new