USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 743 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 36 SER OG : rot -118:sc= 0.849 USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.577 K(o=0.78,f=-4.7!) USER MOD Set 1.3: A 56 MET CE :methyl -165:sc= -0.643 (180deg=-0.902) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 47:sc= -0.202 USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= -0.355 (180deg=-1.47) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.089) USER MOD Single : A 18 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 27 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.44) USER MOD Single : A 30 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= -0.784 (180deg=-2.36!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -84:sc= 0.568 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc=-0.000323 F(o=-0.58,f=-0.00032) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -0.983 (180deg=-3.09!) USER MOD Single : A 72 TYR OH : rot -69:sc= 0.0185 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0828 (180deg=-0.457) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.494 -4.861 -3.866 1.00 0.00 N ATOM 2 CA MET A 1 -0.280 -4.355 -5.244 1.00 0.00 C ATOM 3 C MET A 1 -1.475 -3.464 -5.633 1.00 0.00 C ATOM 4 O MET A 1 -2.551 -3.985 -5.973 1.00 0.00 O ATOM 5 CB MET A 1 -0.095 -5.545 -6.237 1.00 0.00 C ATOM 6 CG MET A 1 0.352 -5.147 -7.659 1.00 0.00 C ATOM 7 SD MET A 1 -0.897 -4.212 -8.583 1.00 0.00 S ATOM 8 CE MET A 1 0.048 -3.649 -9.997 1.00 0.00 C ATOM 0 H1 MET A 1 0.306 -5.465 -3.590 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.565 -4.058 -3.209 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.374 -5.415 -3.832 1.00 0.00 H new ATOM 0 HA MET A 1 0.631 -3.758 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.640 -6.234 -5.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.037 -6.089 -6.308 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.262 -4.551 -7.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.603 -6.049 -8.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.594 -3.060 -10.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.881 -3.034 -9.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.432 -4.510 -10.544 1.00 0.00 H new ATOM 20 N LYS A 2 -1.273 -2.128 -5.508 1.00 0.00 N ATOM 21 CA LYS A 2 -2.264 -1.083 -5.852 1.00 0.00 C ATOM 22 C LYS A 2 -3.568 -1.251 -5.036 1.00 0.00 C ATOM 23 O LYS A 2 -4.500 -1.932 -5.461 1.00 0.00 O ATOM 24 CB LYS A 2 -2.531 -1.043 -7.387 1.00 0.00 C ATOM 25 CG LYS A 2 -3.476 0.092 -7.854 1.00 0.00 C ATOM 26 CD LYS A 2 -3.655 0.116 -9.389 1.00 0.00 C ATOM 27 CE LYS A 2 -2.344 0.398 -10.138 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.525 0.313 -11.603 1.00 0.00 N ATOM 0 H LYS A 2 -0.397 -1.741 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.842 -0.117 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.577 -0.938 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.956 -1.999 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.449 -0.031 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.079 1.051 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.057 -0.842 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.389 0.877 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.979 1.390 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.583 -0.316 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.620 0.509 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.850 -0.642 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.233 1.012 -11.906 1.00 0.00 H new ATOM 42 N CYS A 3 -3.593 -0.666 -3.828 1.00 0.00 N ATOM 43 CA CYS A 3 -4.773 -0.681 -2.950 1.00 0.00 C ATOM 44 C CYS A 3 -5.350 0.739 -2.871 1.00 0.00 C ATOM 45 O CYS A 3 -4.995 1.506 -1.963 1.00 0.00 O ATOM 46 CB CYS A 3 -4.384 -1.224 -1.552 1.00 0.00 C ATOM 47 SG CYS A 3 -2.994 -0.368 -0.770 1.00 0.00 S ATOM 0 H CYS A 3 -2.795 -0.169 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.539 -1.343 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.252 -1.155 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.137 -2.282 -1.644 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.162 0.917 -0.873 1.00 0.00 H new ATOM 53 N LYS A 4 -6.203 1.100 -3.862 1.00 0.00 N ATOM 54 CA LYS A 4 -6.772 2.461 -3.961 1.00 0.00 C ATOM 55 C LYS A 4 -7.548 2.831 -2.697 1.00 0.00 C ATOM 56 O LYS A 4 -7.278 3.860 -2.101 1.00 0.00 O ATOM 57 CB LYS A 4 -7.745 2.634 -5.162 1.00 0.00 C ATOM 58 CG LYS A 4 -7.120 2.657 -6.568 1.00 0.00 C ATOM 59 CD LYS A 4 -8.004 3.409 -7.627 1.00 0.00 C ATOM 60 CE LYS A 4 -9.503 2.984 -7.648 1.00 0.00 C ATOM 61 NZ LYS A 4 -10.321 3.660 -6.596 1.00 0.00 N ATOM 0 H LYS A 4 -6.509 0.467 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.911 3.114 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.473 1.824 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.296 3.564 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.142 3.135 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.957 1.633 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.947 4.480 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.580 3.243 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.924 3.210 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.570 1.904 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.291 3.796 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.341 3.071 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.901 4.584 -6.371 1.00 0.00 H new ATOM 75 N ARG A 5 -8.463 1.925 -2.281 1.00 0.00 N ATOM 76 CA ARG A 5 -9.459 2.191 -1.213 1.00 0.00 C ATOM 77 C ARG A 5 -8.763 2.584 0.100 1.00 0.00 C ATOM 78 O ARG A 5 -9.185 3.508 0.774 1.00 0.00 O ATOM 79 CB ARG A 5 -10.366 0.956 -0.991 1.00 0.00 C ATOM 80 CG ARG A 5 -11.058 0.458 -2.272 1.00 0.00 C ATOM 81 CD ARG A 5 -11.926 -0.783 -2.019 1.00 0.00 C ATOM 82 NE ARG A 5 -13.081 -0.488 -1.144 1.00 0.00 N ATOM 83 CZ ARG A 5 -13.582 -1.306 -0.213 1.00 0.00 C ATOM 84 NH1 ARG A 5 -12.986 -2.452 0.083 1.00 0.00 N ATOM 85 NH2 ARG A 5 -14.696 -0.976 0.415 1.00 0.00 N ATOM 0 H ARG A 5 -8.533 0.987 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.082 3.026 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.767 0.146 -0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.127 1.203 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.678 1.256 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.303 0.224 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.284 -1.174 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.317 -1.563 -1.563 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.535 0.418 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.131 -2.722 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.383 -3.064 0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.169 -0.101 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.083 -1.596 1.126 1.00 0.00 H new ATOM 99 N LEU A 6 -7.647 1.901 0.380 1.00 0.00 N ATOM 100 CA LEU A 6 -6.828 2.123 1.579 1.00 0.00 C ATOM 101 C LEU A 6 -6.117 3.493 1.489 1.00 0.00 C ATOM 102 O LEU A 6 -6.059 4.223 2.476 1.00 0.00 O ATOM 103 CB LEU A 6 -5.827 0.923 1.724 1.00 0.00 C ATOM 104 CG LEU A 6 -5.010 0.760 3.060 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.803 1.714 3.145 1.00 0.00 C ATOM 106 CD2 LEU A 6 -5.928 0.885 4.299 1.00 0.00 C ATOM 0 H LEU A 6 -7.282 1.168 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.447 2.157 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.393 0.004 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.109 0.995 0.907 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.597 -0.249 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.279 1.555 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.124 1.517 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.150 2.746 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.334 0.768 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.404 1.865 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.694 0.110 4.264 1.00 0.00 H new ATOM 118 N ASN A 7 -5.600 3.838 0.295 1.00 0.00 N ATOM 119 CA ASN A 7 -4.863 5.103 0.084 1.00 0.00 C ATOM 120 C ASN A 7 -5.806 6.320 0.177 1.00 0.00 C ATOM 121 O ASN A 7 -5.516 7.285 0.896 1.00 0.00 O ATOM 122 CB ASN A 7 -4.132 5.097 -1.287 1.00 0.00 C ATOM 123 CG ASN A 7 -3.062 4.003 -1.435 1.00 0.00 C ATOM 124 OD1 ASN A 7 -2.398 3.623 -0.344 1.00 0.00 O flip ATOM 125 ND2 ASN A 7 -2.812 3.512 -2.537 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.678 3.259 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.118 5.185 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.872 4.973 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.663 6.069 -1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.331 3.816 -3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.086 2.801 -2.626 1.00 0.00 H new ATOM 132 N GLU A 8 -6.957 6.232 -0.501 1.00 0.00 N ATOM 133 CA GLU A 8 -7.878 7.363 -0.697 1.00 0.00 C ATOM 134 C GLU A 8 -8.652 7.697 0.592 1.00 0.00 C ATOM 135 O GLU A 8 -8.948 8.872 0.865 1.00 0.00 O ATOM 136 CB GLU A 8 -8.804 7.111 -1.916 1.00 0.00 C ATOM 137 CG GLU A 8 -9.676 5.845 -1.844 1.00 0.00 C ATOM 138 CD GLU A 8 -10.457 5.578 -3.138 1.00 0.00 C ATOM 139 OE1 GLU A 8 -11.311 6.405 -3.488 1.00 0.00 O ATOM 140 OE2 GLU A 8 -10.196 4.562 -3.831 1.00 0.00 O ATOM 0 H GLU A 8 -7.280 5.367 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.289 8.251 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.459 7.974 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.186 7.053 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.042 4.986 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.378 5.941 -1.016 1.00 0.00 H new ATOM 147 N VAL A 9 -8.941 6.669 1.411 1.00 0.00 N ATOM 148 CA VAL A 9 -9.461 6.902 2.767 1.00 0.00 C ATOM 149 C VAL A 9 -8.378 7.594 3.633 1.00 0.00 C ATOM 150 O VAL A 9 -8.675 8.524 4.347 1.00 0.00 O ATOM 151 CB VAL A 9 -10.018 5.600 3.462 1.00 0.00 C ATOM 152 CG1 VAL A 9 -11.204 4.988 2.671 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.909 4.560 3.740 1.00 0.00 C ATOM 0 H VAL A 9 -8.825 5.687 1.162 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.322 7.564 2.672 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.404 5.905 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.559 4.093 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.013 5.715 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.874 4.725 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.344 3.683 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.442 4.266 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.157 4.997 4.397 1.00 0.00 H new ATOM 163 N ILE A 10 -7.102 7.178 3.515 1.00 0.00 N ATOM 164 CA ILE A 10 -5.973 7.854 4.212 1.00 0.00 C ATOM 165 C ILE A 10 -5.650 9.248 3.571 1.00 0.00 C ATOM 166 O ILE A 10 -4.832 10.006 4.089 1.00 0.00 O ATOM 167 CB ILE A 10 -4.719 6.883 4.289 1.00 0.00 C ATOM 168 CG1 ILE A 10 -5.098 5.600 5.102 1.00 0.00 C ATOM 169 CG2 ILE A 10 -3.447 7.540 4.894 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.513 5.862 6.550 1.00 0.00 C ATOM 0 H ILE A 10 -6.820 6.379 2.946 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.267 8.073 5.238 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.464 6.626 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.915 5.090 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.246 4.920 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.635 6.813 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.154 8.395 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.658 7.874 5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.757 4.917 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.692 6.342 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.386 6.514 6.566 1.00 0.00 H new ATOM 182 N GLU A 11 -6.331 9.614 2.473 1.00 0.00 N ATOM 183 CA GLU A 11 -6.261 10.993 1.942 1.00 0.00 C ATOM 184 C GLU A 11 -7.153 11.935 2.796 1.00 0.00 C ATOM 185 O GLU A 11 -6.658 12.911 3.363 1.00 0.00 O ATOM 186 CB GLU A 11 -6.656 11.071 0.438 1.00 0.00 C ATOM 187 CG GLU A 11 -5.766 10.237 -0.522 1.00 0.00 C ATOM 188 CD GLU A 11 -4.306 10.712 -0.607 1.00 0.00 C ATOM 189 OE1 GLU A 11 -3.474 10.291 0.222 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.983 11.503 -1.513 1.00 0.00 O ATOM 0 H GLU A 11 -6.931 8.986 1.938 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.223 11.320 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.688 10.738 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.624 12.114 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.779 9.196 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.203 10.265 -1.520 1.00 0.00 H new ATOM 197 N LEU A 12 -8.468 11.622 2.908 1.00 0.00 N ATOM 198 CA LEU A 12 -9.445 12.515 3.637 1.00 0.00 C ATOM 199 C LEU A 12 -9.759 12.013 5.073 1.00 0.00 C ATOM 200 O LEU A 12 -9.667 12.769 6.036 1.00 0.00 O ATOM 201 CB LEU A 12 -10.775 12.790 2.806 1.00 0.00 C ATOM 202 CG LEU A 12 -11.300 11.726 1.771 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.450 11.714 0.484 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.433 10.321 2.389 1.00 0.00 C ATOM 0 H LEU A 12 -8.885 10.778 2.516 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.939 13.475 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.575 12.962 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.629 13.724 2.263 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.307 12.034 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.844 10.967 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.487 12.697 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.417 11.470 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.798 9.625 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.459 9.988 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.135 10.355 3.222 1.00 0.00 H new ATOM 216 N LEU A 13 -10.057 10.722 5.202 1.00 0.00 N ATOM 217 CA LEU A 13 -10.458 10.075 6.474 1.00 0.00 C ATOM 218 C LEU A 13 -9.259 9.919 7.440 1.00 0.00 C ATOM 219 O LEU A 13 -9.461 9.545 8.595 1.00 0.00 O ATOM 220 CB LEU A 13 -11.165 8.706 6.118 1.00 0.00 C ATOM 221 CG LEU A 13 -11.160 7.541 7.177 1.00 0.00 C ATOM 222 CD1 LEU A 13 -12.446 6.696 7.121 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.912 6.637 7.003 1.00 0.00 C ATOM 0 H LEU A 13 -10.029 10.073 4.416 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.165 10.702 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.205 8.927 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.702 8.324 5.208 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.120 8.010 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.395 5.906 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.308 7.332 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.547 6.252 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.933 5.840 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.915 6.201 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.009 7.233 7.136 1.00 0.00 H new ATOM 235 N GLN A 14 -8.035 10.278 6.961 1.00 0.00 N ATOM 236 CA GLN A 14 -6.760 10.175 7.721 1.00 0.00 C ATOM 237 C GLN A 14 -6.943 10.575 9.227 1.00 0.00 C ATOM 238 O GLN A 14 -6.741 9.718 10.080 1.00 0.00 O ATOM 239 CB GLN A 14 -5.635 11.039 7.037 1.00 0.00 C ATOM 240 CG GLN A 14 -4.179 10.501 7.141 1.00 0.00 C ATOM 241 CD GLN A 14 -3.769 9.992 8.521 1.00 0.00 C ATOM 242 OE1 GLN A 14 -3.361 10.767 9.385 1.00 0.00 O ATOM 243 NE2 GLN A 14 -3.872 8.684 8.738 1.00 0.00 N ATOM 0 H GLN A 14 -7.907 10.653 6.021 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.450 9.130 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.883 11.146 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.661 12.038 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.056 9.691 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.494 11.296 6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.214 8.070 7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.609 8.295 9.643 1.00 0.00 H new ATOM 252 N PRO A 15 -7.416 11.838 9.590 1.00 0.00 N ATOM 253 CA PRO A 15 -7.584 12.224 11.018 1.00 0.00 C ATOM 254 C PRO A 15 -8.730 11.453 11.702 1.00 0.00 C ATOM 255 O PRO A 15 -8.597 11.042 12.860 1.00 0.00 O ATOM 256 CB PRO A 15 -7.870 13.750 10.952 1.00 0.00 C ATOM 257 CG PRO A 15 -8.505 13.953 9.607 1.00 0.00 C ATOM 258 CD PRO A 15 -7.825 12.965 8.688 1.00 0.00 C ATOM 0 HA PRO A 15 -6.707 11.984 11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.534 14.065 11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.953 14.331 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.580 13.775 9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.365 14.976 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.500 12.622 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.962 13.411 8.193 1.00 0.00 H new ATOM 266 N ALA A 16 -9.825 11.225 10.944 1.00 0.00 N ATOM 267 CA ALA A 16 -11.059 10.596 11.449 1.00 0.00 C ATOM 268 C ALA A 16 -10.782 9.186 11.996 1.00 0.00 C ATOM 269 O ALA A 16 -11.170 8.860 13.124 1.00 0.00 O ATOM 270 CB ALA A 16 -12.112 10.548 10.331 1.00 0.00 C ATOM 0 H ALA A 16 -9.875 11.476 9.957 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.442 11.198 12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.022 10.082 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.334 11.561 9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.727 9.966 9.494 1.00 0.00 H new ATOM 276 N TRP A 17 -10.094 8.355 11.192 1.00 0.00 N ATOM 277 CA TRP A 17 -9.700 6.986 11.600 1.00 0.00 C ATOM 278 C TRP A 17 -8.647 7.035 12.720 1.00 0.00 C ATOM 279 O TRP A 17 -8.659 6.199 13.613 1.00 0.00 O ATOM 280 CB TRP A 17 -9.172 6.194 10.373 1.00 0.00 C ATOM 281 CG TRP A 17 -9.052 4.688 10.534 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.486 3.912 11.575 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.480 3.784 9.583 1.00 0.00 C ATOM 284 NE1 TRP A 17 -9.188 2.598 11.341 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.574 2.490 10.123 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.892 3.945 8.332 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -8.091 1.365 9.453 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -7.416 2.832 7.662 1.00 0.00 C ATOM 289 CH2 TRP A 17 -7.529 1.554 8.220 1.00 0.00 C ATOM 0 H TRP A 17 -9.796 8.606 10.249 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.578 6.470 11.990 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.832 6.395 9.529 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -8.190 6.588 10.111 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.991 4.284 12.454 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.391 1.823 11.973 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.808 4.927 7.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.158 0.381 9.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.951 2.951 6.695 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.166 0.700 7.667 1.00 0.00 H new ATOM 300 N GLN A 18 -7.757 8.048 12.688 1.00 0.00 N ATOM 301 CA GLN A 18 -6.709 8.210 13.726 1.00 0.00 C ATOM 302 C GLN A 18 -7.276 8.721 15.062 1.00 0.00 C ATOM 303 O GLN A 18 -6.533 8.817 16.039 1.00 0.00 O ATOM 304 CB GLN A 18 -5.519 9.083 13.241 1.00 0.00 C ATOM 305 CG GLN A 18 -4.718 8.498 12.051 1.00 0.00 C ATOM 306 CD GLN A 18 -4.398 7.004 12.177 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.384 6.619 12.748 1.00 0.00 O ATOM 308 NE2 GLN A 18 -5.261 6.152 11.626 1.00 0.00 N ATOM 0 H GLN A 18 -7.740 8.764 11.961 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.316 7.210 13.909 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.900 10.063 12.955 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.837 9.237 14.077 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.284 8.660 11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.784 9.050 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.096 6.504 11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.087 5.148 11.672 1.00 0.00 H new ATOM 317 N LYS A 19 -8.580 9.051 15.103 1.00 0.00 N ATOM 318 CA LYS A 19 -9.282 9.299 16.381 1.00 0.00 C ATOM 319 C LYS A 19 -9.449 7.983 17.179 1.00 0.00 C ATOM 320 O LYS A 19 -9.429 8.000 18.416 1.00 0.00 O ATOM 321 CB LYS A 19 -10.661 9.980 16.162 1.00 0.00 C ATOM 322 CG LYS A 19 -10.616 11.298 15.352 1.00 0.00 C ATOM 323 CD LYS A 19 -9.490 12.258 15.809 1.00 0.00 C ATOM 324 CE LYS A 19 -9.479 13.581 15.020 1.00 0.00 C ATOM 325 NZ LYS A 19 -8.328 14.443 15.401 1.00 0.00 N ATOM 0 H LYS A 19 -9.167 9.152 14.275 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.665 9.985 16.961 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.319 9.278 15.650 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.108 10.184 17.135 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.478 11.063 14.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.576 11.806 15.443 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.611 12.474 16.871 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.526 11.762 15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.435 13.367 13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.410 14.118 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.356 15.324 14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.384 14.669 16.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.439 13.940 15.207 1.00 0.00 H new ATOM 339 N GLU A 20 -9.607 6.852 16.449 1.00 0.00 N ATOM 340 CA GLU A 20 -9.687 5.507 17.048 1.00 0.00 C ATOM 341 C GLU A 20 -9.406 4.431 15.965 1.00 0.00 C ATOM 342 O GLU A 20 -10.350 3.908 15.340 1.00 0.00 O ATOM 343 CB GLU A 20 -11.063 5.293 17.762 1.00 0.00 C ATOM 344 CG GLU A 20 -11.120 4.070 18.699 1.00 0.00 C ATOM 345 CD GLU A 20 -12.347 4.105 19.626 1.00 0.00 C ATOM 346 OE1 GLU A 20 -12.319 4.846 20.641 1.00 0.00 O ATOM 347 OE2 GLU A 20 -13.351 3.433 19.342 1.00 0.00 O ATOM 0 H GLU A 20 -9.682 6.852 15.432 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.922 5.409 17.818 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.300 6.187 18.339 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.838 5.188 17.003 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.143 3.158 18.102 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.212 4.033 19.302 1.00 0.00 H new ATOM 354 N PRO A 21 -8.075 4.120 15.686 1.00 0.00 N ATOM 355 CA PRO A 21 -7.658 3.117 14.673 1.00 0.00 C ATOM 356 C PRO A 21 -7.721 1.668 15.208 1.00 0.00 C ATOM 357 O PRO A 21 -7.193 0.743 14.580 1.00 0.00 O ATOM 358 CB PRO A 21 -6.197 3.549 14.291 1.00 0.00 C ATOM 359 CG PRO A 21 -5.876 4.741 15.162 1.00 0.00 C ATOM 360 CD PRO A 21 -6.875 4.730 16.305 1.00 0.00 C ATOM 0 HA PRO A 21 -8.326 3.103 13.812 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.491 2.737 14.465 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.130 3.808 13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.855 4.680 15.540 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.950 5.667 14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.515 4.145 17.151 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.077 5.735 16.675 1.00 0.00 H new ATOM 368 N ASP A 22 -8.380 1.499 16.376 1.00 0.00 N ATOM 369 CA ASP A 22 -8.647 0.194 17.002 1.00 0.00 C ATOM 370 C ASP A 22 -9.664 -0.609 16.166 1.00 0.00 C ATOM 371 O ASP A 22 -9.766 -1.828 16.307 1.00 0.00 O ATOM 372 CB ASP A 22 -9.170 0.410 18.442 1.00 0.00 C ATOM 373 CG ASP A 22 -8.145 1.121 19.347 1.00 0.00 C ATOM 374 OD1 ASP A 22 -8.037 2.368 19.283 1.00 0.00 O ATOM 375 OD2 ASP A 22 -7.431 0.438 20.123 1.00 0.00 O ATOM 0 H ASP A 22 -8.746 2.283 16.916 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.721 -0.380 17.044 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.087 0.998 18.407 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.427 -0.555 18.879 1.00 0.00 H new ATOM 380 N PHE A 23 -10.452 0.104 15.335 1.00 0.00 N ATOM 381 CA PHE A 23 -11.282 -0.504 14.281 1.00 0.00 C ATOM 382 C PHE A 23 -10.430 -0.746 13.019 1.00 0.00 C ATOM 383 O PHE A 23 -9.475 -0.008 12.753 1.00 0.00 O ATOM 384 CB PHE A 23 -12.489 0.411 13.947 1.00 0.00 C ATOM 385 CG PHE A 23 -13.555 0.469 15.045 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.551 -0.508 15.115 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.555 1.478 16.008 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.523 -0.464 16.101 1.00 0.00 C ATOM 389 CE2 PHE A 23 -14.531 1.518 16.990 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.507 0.541 17.041 1.00 0.00 C ATOM 0 H PHE A 23 -10.529 1.120 15.378 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.664 -1.460 14.641 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.124 1.420 13.757 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.952 0.061 13.025 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.563 -1.309 14.390 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.786 2.236 15.988 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.294 -1.219 16.132 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -14.529 2.315 17.718 1.00 0.00 H new ATOM 0 HZ PHE A 23 -16.257 0.566 17.818 1.00 0.00 H new ATOM 400 N ASN A 24 -10.787 -1.797 12.255 1.00 0.00 N ATOM 401 CA ASN A 24 -10.134 -2.139 10.965 1.00 0.00 C ATOM 402 C ASN A 24 -10.610 -1.188 9.839 1.00 0.00 C ATOM 403 O ASN A 24 -11.320 -0.205 10.108 1.00 0.00 O ATOM 404 CB ASN A 24 -10.444 -3.620 10.589 1.00 0.00 C ATOM 405 CG ASN A 24 -9.956 -4.644 11.617 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.961 -4.435 12.303 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.654 -5.767 11.725 1.00 0.00 N ATOM 0 H ASN A 24 -11.538 -2.438 12.511 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.057 -2.019 11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.521 -3.733 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.985 -3.842 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.367 -6.484 12.392 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.478 -5.914 11.141 1.00 0.00 H new ATOM 414 N LEU A 25 -10.215 -1.493 8.576 1.00 0.00 N ATOM 415 CA LEU A 25 -10.550 -0.655 7.403 1.00 0.00 C ATOM 416 C LEU A 25 -12.078 -0.586 7.217 1.00 0.00 C ATOM 417 O LEU A 25 -12.667 0.470 7.386 1.00 0.00 O ATOM 418 CB LEU A 25 -9.808 -1.196 6.126 1.00 0.00 C ATOM 419 CG LEU A 25 -9.811 -0.306 4.813 1.00 0.00 C ATOM 420 CD1 LEU A 25 -11.053 -0.535 3.927 1.00 0.00 C ATOM 421 CD2 LEU A 25 -9.640 1.193 5.136 1.00 0.00 C ATOM 0 H LEU A 25 -9.661 -2.318 8.347 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.204 0.365 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.769 -1.379 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.246 -2.161 5.873 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.947 -0.633 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.994 0.103 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.091 -1.579 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.953 -0.291 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.647 1.768 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.459 1.523 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.692 1.348 5.652 1.00 0.00 H new ATOM 433 N LEU A 26 -12.716 -1.743 7.000 1.00 0.00 N ATOM 434 CA LEU A 26 -14.181 -1.815 6.809 1.00 0.00 C ATOM 435 C LEU A 26 -14.940 -1.594 8.134 1.00 0.00 C ATOM 436 O LEU A 26 -16.097 -1.188 8.105 1.00 0.00 O ATOM 437 CB LEU A 26 -14.635 -3.153 6.144 1.00 0.00 C ATOM 438 CG LEU A 26 -14.309 -3.344 4.628 1.00 0.00 C ATOM 439 CD1 LEU A 26 -14.791 -2.137 3.789 1.00 0.00 C ATOM 440 CD2 LEU A 26 -12.820 -3.665 4.396 1.00 0.00 C ATOM 0 H LEU A 26 -12.245 -2.646 6.951 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.434 -1.005 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.178 -3.976 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.714 -3.245 6.272 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.868 -4.213 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.548 -2.303 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -15.870 -2.025 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.295 -1.231 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.637 -3.790 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.208 -2.847 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.560 -4.585 4.919 1.00 0.00 H new ATOM 452 N GLN A 27 -14.280 -1.857 9.281 1.00 0.00 N ATOM 453 CA GLN A 27 -14.906 -1.721 10.613 1.00 0.00 C ATOM 454 C GLN A 27 -15.147 -0.249 10.986 1.00 0.00 C ATOM 455 O GLN A 27 -16.232 0.100 11.456 1.00 0.00 O ATOM 456 CB GLN A 27 -14.072 -2.447 11.701 1.00 0.00 C ATOM 457 CG GLN A 27 -14.104 -3.986 11.594 1.00 0.00 C ATOM 458 CD GLN A 27 -15.512 -4.583 11.745 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.366 -4.044 12.450 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.764 -5.693 11.080 1.00 0.00 N ATOM 0 H GLN A 27 -13.309 -2.166 9.311 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.882 -2.203 10.561 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.037 -2.110 11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.442 -2.154 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.694 -4.284 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.455 -4.409 12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.038 -6.118 10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.685 -6.127 11.142 1.00 0.00 H new ATOM 469 N PHE A 28 -14.149 0.622 10.769 1.00 0.00 N ATOM 470 CA PHE A 28 -14.319 2.068 11.020 1.00 0.00 C ATOM 471 C PHE A 28 -15.231 2.676 9.940 1.00 0.00 C ATOM 472 O PHE A 28 -16.028 3.587 10.210 1.00 0.00 O ATOM 473 CB PHE A 28 -12.957 2.806 11.058 1.00 0.00 C ATOM 474 CG PHE A 28 -13.094 4.272 11.483 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.236 4.606 12.831 1.00 0.00 C ATOM 476 CD2 PHE A 28 -13.175 5.300 10.537 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.416 5.919 13.223 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.349 6.614 10.932 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.494 6.919 12.272 1.00 0.00 C ATOM 0 H PHE A 28 -13.226 0.358 10.425 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.783 2.192 11.999 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.288 2.292 11.749 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.495 2.759 10.072 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.205 3.827 13.578 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.101 5.064 9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.496 6.164 14.272 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.372 7.402 10.193 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.669 7.940 12.577 1.00 0.00 H new ATOM 489 N LEU A 29 -15.091 2.148 8.720 1.00 0.00 N ATOM 490 CA LEU A 29 -15.878 2.580 7.554 1.00 0.00 C ATOM 491 C LEU A 29 -17.380 2.312 7.762 1.00 0.00 C ATOM 492 O LEU A 29 -18.203 3.152 7.409 1.00 0.00 O ATOM 493 CB LEU A 29 -15.329 1.908 6.255 1.00 0.00 C ATOM 494 CG LEU A 29 -14.299 2.749 5.432 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.141 3.299 6.294 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.782 1.937 4.219 1.00 0.00 C ATOM 0 H LEU A 29 -14.425 1.404 8.509 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.771 3.659 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.860 0.963 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.173 1.670 5.608 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.827 3.626 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.461 3.873 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.544 3.943 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.601 2.469 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.066 2.538 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.295 1.027 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.620 1.674 3.574 1.00 0.00 H new ATOM 508 N GLN A 30 -17.721 1.156 8.377 1.00 0.00 N ATOM 509 CA GLN A 30 -19.115 0.788 8.647 1.00 0.00 C ATOM 510 C GLN A 30 -19.658 1.571 9.839 1.00 0.00 C ATOM 511 O GLN A 30 -20.862 1.782 9.927 1.00 0.00 O ATOM 512 CB GLN A 30 -19.264 -0.741 8.874 1.00 0.00 C ATOM 513 CG GLN A 30 -18.790 -1.309 10.248 1.00 0.00 C ATOM 514 CD GLN A 30 -19.935 -1.778 11.158 1.00 0.00 C ATOM 515 OE1 GLN A 30 -20.345 -2.933 11.104 1.00 0.00 O ATOM 516 NE2 GLN A 30 -20.465 -0.883 11.982 1.00 0.00 N ATOM 0 H GLN A 30 -17.041 0.465 8.694 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.705 1.049 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.315 -1.000 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.711 -1.254 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.115 -2.146 10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.217 -0.542 10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.101 0.070 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.236 -1.148 12.595 1.00 0.00 H new ATOM 525 N LYS A 31 -18.770 1.986 10.774 1.00 0.00 N ATOM 526 CA LYS A 31 -19.171 2.876 11.881 1.00 0.00 C ATOM 527 C LYS A 31 -19.741 4.178 11.312 1.00 0.00 C ATOM 528 O LYS A 31 -20.918 4.485 11.520 1.00 0.00 O ATOM 529 CB LYS A 31 -17.992 3.168 12.857 1.00 0.00 C ATOM 530 CG LYS A 31 -17.568 1.967 13.736 1.00 0.00 C ATOM 531 CD LYS A 31 -18.731 1.409 14.601 1.00 0.00 C ATOM 532 CE LYS A 31 -19.302 2.444 15.594 1.00 0.00 C ATOM 533 NZ LYS A 31 -20.510 1.941 16.282 1.00 0.00 N ATOM 0 H LYS A 31 -17.785 1.721 10.782 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.940 2.366 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.131 3.498 12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.273 3.996 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.185 1.172 13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.751 2.272 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.531 1.065 13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.378 0.540 15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.542 2.695 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.544 3.363 15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.862 2.666 16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.245 1.725 15.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.274 1.078 16.812 1.00 0.00 H new ATOM 547 N LEU A 32 -18.938 4.873 10.498 1.00 0.00 N ATOM 548 CA LEU A 32 -19.314 6.186 9.958 1.00 0.00 C ATOM 549 C LEU A 32 -20.473 6.050 8.943 1.00 0.00 C ATOM 550 O LEU A 32 -21.384 6.873 8.943 1.00 0.00 O ATOM 551 CB LEU A 32 -18.054 6.902 9.361 1.00 0.00 C ATOM 552 CG LEU A 32 -17.547 6.465 7.929 1.00 0.00 C ATOM 553 CD1 LEU A 32 -18.180 7.317 6.790 1.00 0.00 C ATOM 554 CD2 LEU A 32 -16.000 6.484 7.849 1.00 0.00 C ATOM 0 H LEU A 32 -18.020 4.547 10.197 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.688 6.818 10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.265 7.971 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.230 6.763 10.061 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.880 5.438 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.799 6.977 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.264 7.205 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.920 8.366 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.683 6.179 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.638 7.492 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.589 5.795 8.587 1.00 0.00 H new ATOM 566 N ALA A 33 -20.444 4.967 8.126 1.00 0.00 N ATOM 567 CA ALA A 33 -21.398 4.764 7.009 1.00 0.00 C ATOM 568 C ALA A 33 -22.808 4.415 7.506 1.00 0.00 C ATOM 569 O ALA A 33 -23.793 4.974 7.021 1.00 0.00 O ATOM 570 CB ALA A 33 -20.891 3.677 6.047 1.00 0.00 C ATOM 0 H ALA A 33 -19.762 4.214 8.223 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.463 5.711 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.607 3.546 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -19.927 3.976 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.778 2.737 6.587 1.00 0.00 H new ATOM 576 N LYS A 34 -22.906 3.496 8.481 1.00 0.00 N ATOM 577 CA LYS A 34 -24.208 3.059 9.033 1.00 0.00 C ATOM 578 C LYS A 34 -24.840 4.172 9.894 1.00 0.00 C ATOM 579 O LYS A 34 -26.068 4.262 9.991 1.00 0.00 O ATOM 580 CB LYS A 34 -24.037 1.737 9.829 1.00 0.00 C ATOM 581 CG LYS A 34 -23.588 0.524 8.960 1.00 0.00 C ATOM 582 CD LYS A 34 -23.247 -0.754 9.786 1.00 0.00 C ATOM 583 CE LYS A 34 -24.477 -1.534 10.311 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.331 -0.741 11.235 1.00 0.00 N ATOM 0 H LYS A 34 -22.100 3.038 8.907 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.893 2.864 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.304 1.894 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -24.982 1.493 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.380 0.285 8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.713 0.812 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -22.648 -1.421 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -22.627 -0.466 10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.079 -1.861 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -24.135 -2.432 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -25.750 -1.372 11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -24.752 -0.019 11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -26.089 -0.277 10.695 1.00 0.00 H new ATOM 598 N GLU A 35 -23.993 5.039 10.500 1.00 0.00 N ATOM 599 CA GLU A 35 -24.473 6.260 11.189 1.00 0.00 C ATOM 600 C GLU A 35 -24.885 7.343 10.165 1.00 0.00 C ATOM 601 O GLU A 35 -25.706 8.204 10.476 1.00 0.00 O ATOM 602 CB GLU A 35 -23.412 6.817 12.180 1.00 0.00 C ATOM 603 CG GLU A 35 -23.009 5.841 13.309 1.00 0.00 C ATOM 604 CD GLU A 35 -24.202 5.264 14.093 1.00 0.00 C ATOM 605 OE1 GLU A 35 -24.761 5.976 14.954 1.00 0.00 O ATOM 606 OE2 GLU A 35 -24.582 4.091 13.858 1.00 0.00 O ATOM 0 H GLU A 35 -22.981 4.916 10.525 1.00 0.00 H new ATOM 0 HA GLU A 35 -25.352 5.981 11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.519 7.091 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.799 7.732 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.439 5.018 12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.347 6.358 14.003 1.00 0.00 H new ATOM 613 N SER A 36 -24.299 7.294 8.951 1.00 0.00 N ATOM 614 CA SER A 36 -24.701 8.167 7.820 1.00 0.00 C ATOM 615 C SER A 36 -26.017 7.671 7.173 1.00 0.00 C ATOM 616 O SER A 36 -26.734 8.450 6.534 1.00 0.00 O ATOM 617 CB SER A 36 -23.573 8.217 6.761 1.00 0.00 C ATOM 618 OG SER A 36 -22.392 8.809 7.292 1.00 0.00 O ATOM 0 H SER A 36 -23.538 6.654 8.724 1.00 0.00 H new ATOM 0 HA SER A 36 -24.872 9.171 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.352 7.208 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.910 8.786 5.894 1.00 0.00 H new ATOM 0 HG SER A 36 -22.185 9.628 6.795 1.00 0.00 H new ATOM 624 N GLY A 37 -26.312 6.372 7.346 1.00 0.00 N ATOM 625 CA GLY A 37 -27.529 5.753 6.807 1.00 0.00 C ATOM 626 C GLY A 37 -27.283 5.013 5.495 1.00 0.00 C ATOM 627 O GLY A 37 -28.072 5.128 4.550 1.00 0.00 O ATOM 0 H GLY A 37 -25.715 5.726 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.933 5.057 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.284 6.523 6.649 1.00 0.00 H new ATOM 631 N PHE A 38 -26.164 4.267 5.439 1.00 0.00 N ATOM 632 CA PHE A 38 -25.822 3.393 4.302 1.00 0.00 C ATOM 633 C PHE A 38 -26.605 2.074 4.431 1.00 0.00 C ATOM 634 O PHE A 38 -26.315 1.260 5.321 1.00 0.00 O ATOM 635 CB PHE A 38 -24.286 3.145 4.265 1.00 0.00 C ATOM 636 CG PHE A 38 -23.839 2.081 3.262 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.028 2.266 1.893 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.258 0.879 3.689 1.00 0.00 C ATOM 639 CE1 PHE A 38 -23.642 1.295 0.985 1.00 0.00 C ATOM 640 CE2 PHE A 38 -22.872 -0.084 2.777 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.070 0.122 1.427 1.00 0.00 C ATOM 0 H PHE A 38 -25.469 4.254 6.185 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.100 3.871 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -23.785 4.083 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -23.954 2.850 5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -24.482 3.179 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.110 0.704 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -23.790 1.457 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.414 -1.000 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 38 -22.776 -0.637 0.717 1.00 0.00 H new ATOM 651 N ASP A 39 -27.594 1.878 3.548 1.00 0.00 N ATOM 652 CA ASP A 39 -28.477 0.703 3.582 1.00 0.00 C ATOM 653 C ASP A 39 -27.867 -0.432 2.746 1.00 0.00 C ATOM 654 O ASP A 39 -28.062 -0.506 1.526 1.00 0.00 O ATOM 655 CB ASP A 39 -29.901 1.085 3.082 1.00 0.00 C ATOM 656 CG ASP A 39 -30.901 -0.081 3.171 1.00 0.00 C ATOM 657 OD1 ASP A 39 -31.348 -0.412 4.294 1.00 0.00 O ATOM 658 OD2 ASP A 39 -31.245 -0.680 2.128 1.00 0.00 O ATOM 0 H ASP A 39 -27.805 2.528 2.791 1.00 0.00 H new ATOM 0 HA ASP A 39 -28.573 0.350 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -30.274 1.923 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -29.838 1.425 2.048 1.00 0.00 H new ATOM 663 N GLY A 40 -27.057 -1.260 3.409 1.00 0.00 N ATOM 664 CA GLY A 40 -26.454 -2.446 2.803 1.00 0.00 C ATOM 665 C GLY A 40 -25.223 -2.893 3.565 1.00 0.00 C ATOM 666 O GLY A 40 -24.808 -2.225 4.526 1.00 0.00 O ATOM 0 H GLY A 40 -26.800 -1.125 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.184 -3.256 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.185 -2.231 1.769 1.00 0.00 H new ATOM 670 N GLU A 41 -24.615 -4.011 3.125 1.00 0.00 N ATOM 671 CA GLU A 41 -23.452 -4.606 3.806 1.00 0.00 C ATOM 672 C GLU A 41 -22.192 -3.759 3.522 1.00 0.00 C ATOM 673 O GLU A 41 -22.027 -3.208 2.420 1.00 0.00 O ATOM 674 CB GLU A 41 -23.252 -6.098 3.377 1.00 0.00 C ATOM 675 CG GLU A 41 -22.643 -6.315 1.972 1.00 0.00 C ATOM 676 CD GLU A 41 -22.642 -7.786 1.524 1.00 0.00 C ATOM 677 OE1 GLU A 41 -21.755 -8.553 1.962 1.00 0.00 O ATOM 678 OE2 GLU A 41 -23.519 -8.184 0.736 1.00 0.00 O ATOM 0 H GLU A 41 -24.914 -4.523 2.295 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.632 -4.605 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.610 -6.585 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.218 -6.601 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.202 -5.723 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.619 -5.941 1.967 1.00 0.00 H new ATOM 685 N LEU A 42 -21.334 -3.647 4.538 1.00 0.00 N ATOM 686 CA LEU A 42 -20.061 -2.905 4.475 1.00 0.00 C ATOM 687 C LEU A 42 -19.021 -3.595 3.563 1.00 0.00 C ATOM 688 O LEU A 42 -18.047 -2.959 3.147 1.00 0.00 O ATOM 689 CB LEU A 42 -19.471 -2.695 5.892 1.00 0.00 C ATOM 690 CG LEU A 42 -19.313 -3.985 6.795 1.00 0.00 C ATOM 691 CD1 LEU A 42 -17.989 -3.961 7.587 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.514 -4.152 7.761 1.00 0.00 C ATOM 0 H LEU A 42 -21.503 -4.076 5.448 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.288 -1.933 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.490 -2.231 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.105 -1.984 6.422 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.293 -4.843 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -17.913 -4.862 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.150 -3.921 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -17.967 -3.083 8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.373 -5.048 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.581 -3.281 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.434 -4.245 7.185 1.00 0.00 H new ATOM 704 N ALA A 43 -19.217 -4.893 3.281 1.00 0.00 N ATOM 705 CA ALA A 43 -18.411 -5.632 2.277 1.00 0.00 C ATOM 706 C ALA A 43 -18.638 -5.059 0.858 1.00 0.00 C ATOM 707 O ALA A 43 -17.753 -5.121 0.003 1.00 0.00 O ATOM 708 CB ALA A 43 -18.764 -7.124 2.309 1.00 0.00 C ATOM 0 H ALA A 43 -19.931 -5.462 3.735 1.00 0.00 H new ATOM 0 HA ALA A 43 -17.357 -5.512 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -18.166 -7.655 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.555 -7.526 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.822 -7.252 2.081 1.00 0.00 H new ATOM 714 N ASP A 44 -19.834 -4.490 0.642 1.00 0.00 N ATOM 715 CA ASP A 44 -20.247 -3.908 -0.648 1.00 0.00 C ATOM 716 C ASP A 44 -20.140 -2.355 -0.604 1.00 0.00 C ATOM 717 O ASP A 44 -20.427 -1.675 -1.602 1.00 0.00 O ATOM 718 CB ASP A 44 -21.694 -4.395 -0.961 1.00 0.00 C ATOM 719 CG ASP A 44 -22.219 -3.990 -2.354 1.00 0.00 C ATOM 720 OD1 ASP A 44 -21.743 -4.552 -3.370 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.108 -3.114 -2.447 1.00 0.00 O ATOM 0 H ASP A 44 -20.550 -4.419 1.365 1.00 0.00 H new ATOM 0 HA ASP A 44 -19.586 -4.239 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -21.724 -5.481 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -22.369 -3.998 -0.203 1.00 0.00 H new ATOM 726 N LEU A 45 -19.682 -1.810 0.555 1.00 0.00 N ATOM 727 CA LEU A 45 -19.484 -0.355 0.759 1.00 0.00 C ATOM 728 C LEU A 45 -18.427 0.190 -0.228 1.00 0.00 C ATOM 729 O LEU A 45 -17.256 -0.190 -0.156 1.00 0.00 O ATOM 730 CB LEU A 45 -19.049 -0.087 2.233 1.00 0.00 C ATOM 731 CG LEU A 45 -18.764 1.396 2.628 1.00 0.00 C ATOM 732 CD1 LEU A 45 -19.980 2.323 2.375 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.277 1.489 4.092 1.00 0.00 C ATOM 0 H LEU A 45 -19.441 -2.370 1.372 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.424 0.163 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -19.829 -0.469 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.150 -0.670 2.432 1.00 0.00 H new ATOM 0 HG LEU A 45 -17.965 1.753 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.727 3.342 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.239 2.302 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.830 1.977 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.084 2.531 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -19.043 1.089 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.360 0.912 4.208 1.00 0.00 H new ATOM 745 N THR A 46 -18.860 1.069 -1.156 1.00 0.00 N ATOM 746 CA THR A 46 -17.979 1.644 -2.189 1.00 0.00 C ATOM 747 C THR A 46 -17.186 2.836 -1.630 1.00 0.00 C ATOM 748 O THR A 46 -17.740 3.672 -0.904 1.00 0.00 O ATOM 749 CB THR A 46 -18.786 2.078 -3.458 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.916 2.877 -3.075 1.00 0.00 O ATOM 751 CG2 THR A 46 -19.277 0.866 -4.268 1.00 0.00 C ATOM 0 H THR A 46 -19.824 1.397 -1.209 1.00 0.00 H new ATOM 0 HA THR A 46 -17.277 0.865 -2.487 1.00 0.00 H new ATOM 0 HB THR A 46 -18.112 2.659 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.414 3.145 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.832 1.212 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.421 0.275 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.926 0.251 -3.645 1.00 0.00 H new ATOM 759 N ASP A 47 -15.893 2.894 -1.995 1.00 0.00 N ATOM 760 CA ASP A 47 -14.950 3.954 -1.575 1.00 0.00 C ATOM 761 C ASP A 47 -15.459 5.373 -1.923 1.00 0.00 C ATOM 762 O ASP A 47 -15.181 6.327 -1.193 1.00 0.00 O ATOM 763 CB ASP A 47 -13.554 3.693 -2.204 1.00 0.00 C ATOM 764 CG ASP A 47 -13.601 3.493 -3.734 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.546 4.488 -4.487 1.00 0.00 O ATOM 766 OD2 ASP A 47 -13.729 2.335 -4.180 1.00 0.00 O ATOM 0 H ASP A 47 -15.463 2.195 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.870 3.915 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.897 4.532 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.115 2.809 -1.742 1.00 0.00 H new ATOM 771 N ASP A 48 -16.251 5.475 -3.013 1.00 0.00 N ATOM 772 CA ASP A 48 -16.852 6.751 -3.483 1.00 0.00 C ATOM 773 C ASP A 48 -17.648 7.456 -2.363 1.00 0.00 C ATOM 774 O ASP A 48 -17.580 8.687 -2.218 1.00 0.00 O ATOM 775 CB ASP A 48 -17.763 6.503 -4.712 1.00 0.00 C ATOM 776 CG ASP A 48 -18.297 7.811 -5.337 1.00 0.00 C ATOM 777 OD1 ASP A 48 -17.562 8.455 -6.122 1.00 0.00 O ATOM 778 OD2 ASP A 48 -19.457 8.198 -5.063 1.00 0.00 O ATOM 0 H ASP A 48 -16.495 4.674 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.033 7.409 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.205 5.947 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.605 5.878 -4.414 1.00 0.00 H new ATOM 783 N ILE A 49 -18.368 6.650 -1.561 1.00 0.00 N ATOM 784 CA ILE A 49 -19.190 7.150 -0.445 1.00 0.00 C ATOM 785 C ILE A 49 -18.301 7.785 0.641 1.00 0.00 C ATOM 786 O ILE A 49 -18.532 8.923 1.050 1.00 0.00 O ATOM 787 CB ILE A 49 -20.059 6.003 0.196 1.00 0.00 C ATOM 788 CG1 ILE A 49 -20.909 5.282 -0.905 1.00 0.00 C ATOM 789 CG2 ILE A 49 -20.960 6.569 1.331 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.678 4.058 -0.425 1.00 0.00 C ATOM 0 H ILE A 49 -18.396 5.636 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.862 7.905 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.392 5.264 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.618 5.997 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.246 4.981 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.553 5.762 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.334 7.013 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.625 7.330 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.235 3.629 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -20.978 3.318 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.372 4.350 0.363 1.00 0.00 H new ATOM 802 N LEU A 50 -17.257 7.039 1.051 1.00 0.00 N ATOM 803 CA LEU A 50 -16.368 7.435 2.161 1.00 0.00 C ATOM 804 C LEU A 50 -15.602 8.716 1.807 1.00 0.00 C ATOM 805 O LEU A 50 -15.517 9.635 2.611 1.00 0.00 O ATOM 806 CB LEU A 50 -15.337 6.320 2.519 1.00 0.00 C ATOM 807 CG LEU A 50 -15.895 4.960 3.029 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.982 5.147 4.100 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.369 4.063 1.879 1.00 0.00 C ATOM 0 H LEU A 50 -17.006 6.147 0.624 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.009 7.605 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.733 6.124 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.666 6.715 3.282 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.065 4.442 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.342 4.172 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.565 5.684 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.811 5.718 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.750 3.125 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.161 4.568 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.533 3.857 1.210 1.00 0.00 H new ATOM 821 N ILE A 51 -15.073 8.751 0.581 1.00 0.00 N ATOM 822 CA ILE A 51 -14.236 9.855 0.105 1.00 0.00 C ATOM 823 C ILE A 51 -15.039 11.160 0.110 1.00 0.00 C ATOM 824 O ILE A 51 -14.663 12.100 0.800 1.00 0.00 O ATOM 825 CB ILE A 51 -13.562 9.515 -1.290 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.265 8.649 -1.082 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.222 10.784 -2.117 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.405 7.426 -0.185 1.00 0.00 C ATOM 0 H ILE A 51 -15.213 8.014 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.402 10.000 0.791 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.296 8.944 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.915 8.318 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.488 9.291 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.763 10.491 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.136 11.344 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.528 11.409 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.446 6.912 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.718 7.739 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.151 6.751 -0.604 1.00 0.00 H new ATOM 840 N TYR A 52 -16.194 11.157 -0.566 1.00 0.00 N ATOM 841 CA TYR A 52 -17.095 12.320 -0.617 1.00 0.00 C ATOM 842 C TYR A 52 -17.547 12.761 0.805 1.00 0.00 C ATOM 843 O TYR A 52 -17.492 13.957 1.141 1.00 0.00 O ATOM 844 CB TYR A 52 -18.321 12.018 -1.520 1.00 0.00 C ATOM 845 CG TYR A 52 -19.130 13.277 -1.863 1.00 0.00 C ATOM 846 CD1 TYR A 52 -18.609 14.218 -2.753 1.00 0.00 C ATOM 847 CD2 TYR A 52 -20.367 13.553 -1.266 1.00 0.00 C ATOM 848 CE1 TYR A 52 -19.291 15.373 -3.054 1.00 0.00 C ATOM 849 CE2 TYR A 52 -21.059 14.719 -1.573 1.00 0.00 C ATOM 850 CZ TYR A 52 -20.507 15.627 -2.458 1.00 0.00 C ATOM 851 OH TYR A 52 -21.182 16.787 -2.767 1.00 0.00 O ATOM 0 H TYR A 52 -16.532 10.352 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.540 13.151 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.980 11.548 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.969 11.301 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.650 14.035 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.787 12.852 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -18.874 16.080 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.021 14.914 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 52 -22.024 16.819 -2.266 1.00 0.00 H new ATOM 861 N HIS A 53 -17.913 11.763 1.635 1.00 0.00 N ATOM 862 CA HIS A 53 -18.462 11.970 2.997 1.00 0.00 C ATOM 863 C HIS A 53 -17.450 12.670 3.920 1.00 0.00 C ATOM 864 O HIS A 53 -17.796 13.587 4.667 1.00 0.00 O ATOM 865 CB HIS A 53 -18.884 10.617 3.627 1.00 0.00 C ATOM 866 CG HIS A 53 -19.560 10.761 4.960 1.00 0.00 C ATOM 867 ND1 HIS A 53 -18.889 10.698 6.164 1.00 0.00 N ATOM 868 CD2 HIS A 53 -20.850 10.992 5.263 1.00 0.00 C ATOM 869 CE1 HIS A 53 -19.742 10.894 7.146 1.00 0.00 C ATOM 870 NE2 HIS A 53 -20.941 11.071 6.627 1.00 0.00 N ATOM 0 H HIS A 53 -17.836 10.779 1.379 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.336 12.614 2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -19.556 10.100 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -18.001 9.988 3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -21.664 11.096 4.560 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -19.501 10.908 8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -21.797 11.239 7.155 1.00 0.00 H new ATOM 879 N LEU A 54 -16.203 12.200 3.877 1.00 0.00 N ATOM 880 CA LEU A 54 -15.138 12.708 4.744 1.00 0.00 C ATOM 881 C LEU A 54 -14.592 14.035 4.204 1.00 0.00 C ATOM 882 O LEU A 54 -14.212 14.893 4.980 1.00 0.00 O ATOM 883 CB LEU A 54 -14.012 11.646 4.967 1.00 0.00 C ATOM 884 CG LEU A 54 -14.297 10.562 6.064 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.472 11.195 7.458 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.489 9.658 5.705 1.00 0.00 C ATOM 0 H LEU A 54 -15.903 11.459 3.243 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.566 12.905 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.827 11.137 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.093 12.170 5.232 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.416 9.921 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.668 10.412 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.562 11.729 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.310 11.892 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.642 8.926 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.387 10.266 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.284 9.140 4.768 1.00 0.00 H new ATOM 898 N LYS A 55 -14.612 14.224 2.871 1.00 0.00 N ATOM 899 CA LYS A 55 -14.201 15.502 2.257 1.00 0.00 C ATOM 900 C LYS A 55 -15.076 16.667 2.752 1.00 0.00 C ATOM 901 O LYS A 55 -14.603 17.790 2.826 1.00 0.00 O ATOM 902 CB LYS A 55 -14.232 15.427 0.719 1.00 0.00 C ATOM 903 CG LYS A 55 -13.068 14.615 0.105 1.00 0.00 C ATOM 904 CD LYS A 55 -13.045 14.634 -1.441 1.00 0.00 C ATOM 905 CE LYS A 55 -14.411 14.330 -2.070 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.385 14.452 -3.547 1.00 0.00 N ATOM 0 H LYS A 55 -14.906 13.513 2.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.173 15.689 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.177 14.982 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.208 16.439 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.124 15.011 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.138 13.582 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.706 15.612 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.318 13.903 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.719 13.321 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.157 15.013 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.328 14.238 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.116 15.421 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.692 13.782 -3.939 1.00 0.00 H new ATOM 920 N MET A 56 -16.356 16.369 3.068 1.00 0.00 N ATOM 921 CA MET A 56 -17.283 17.344 3.695 1.00 0.00 C ATOM 922 C MET A 56 -16.694 17.962 4.994 1.00 0.00 C ATOM 923 O MET A 56 -16.745 19.183 5.174 1.00 0.00 O ATOM 924 CB MET A 56 -18.671 16.705 3.982 1.00 0.00 C ATOM 925 CG MET A 56 -19.375 16.109 2.749 1.00 0.00 C ATOM 926 SD MET A 56 -21.112 15.672 3.044 1.00 0.00 S ATOM 927 CE MET A 56 -21.012 14.587 4.468 1.00 0.00 C ATOM 0 H MET A 56 -16.775 15.455 2.898 1.00 0.00 H new ATOM 0 HA MET A 56 -17.416 18.151 2.975 1.00 0.00 H new ATOM 0 HB2 MET A 56 -18.546 15.919 4.727 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.320 17.462 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.324 16.826 1.930 1.00 0.00 H new ATOM 0 HG3 MET A 56 -18.835 15.219 2.428 1.00 0.00 H new ATOM 0 HE1 MET A 56 -21.953 14.048 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.200 13.874 4.326 1.00 0.00 H new ATOM 0 HE3 MET A 56 -20.822 15.179 5.364 1.00 0.00 H new ATOM 937 N ARG A 57 -16.109 17.126 5.888 1.00 0.00 N ATOM 938 CA ARG A 57 -15.508 17.632 7.152 1.00 0.00 C ATOM 939 C ARG A 57 -14.097 18.232 6.905 1.00 0.00 C ATOM 940 O ARG A 57 -13.698 19.189 7.586 1.00 0.00 O ATOM 941 CB ARG A 57 -15.440 16.536 8.265 1.00 0.00 C ATOM 942 CG ARG A 57 -14.564 15.303 7.941 1.00 0.00 C ATOM 943 CD ARG A 57 -14.134 14.499 9.187 1.00 0.00 C ATOM 944 NE ARG A 57 -13.298 15.301 10.111 1.00 0.00 N ATOM 945 CZ ARG A 57 -12.026 15.688 9.893 1.00 0.00 C ATOM 946 NH1 ARG A 57 -11.396 15.382 8.772 1.00 0.00 N ATOM 947 NH2 ARG A 57 -11.391 16.412 10.804 1.00 0.00 N ATOM 0 H ARG A 57 -16.040 16.116 5.763 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.169 18.421 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.064 16.996 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.453 16.194 8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.114 14.645 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.673 15.632 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.021 14.148 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.579 13.615 8.873 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.724 15.586 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.873 14.842 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.433 15.686 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.865 16.675 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.428 16.706 10.641 1.00 0.00 H new ATOM 961 N ASP A 58 -13.359 17.665 5.928 1.00 0.00 N ATOM 962 CA ASP A 58 -11.985 18.111 5.567 1.00 0.00 C ATOM 963 C ASP A 58 -11.994 19.408 4.728 1.00 0.00 C ATOM 964 O ASP A 58 -10.950 20.043 4.567 1.00 0.00 O ATOM 965 CB ASP A 58 -11.227 16.981 4.810 1.00 0.00 C ATOM 966 CG ASP A 58 -10.807 15.825 5.736 1.00 0.00 C ATOM 967 OD1 ASP A 58 -9.693 15.885 6.312 1.00 0.00 O ATOM 968 OD2 ASP A 58 -11.597 14.872 5.924 1.00 0.00 O ATOM 0 H ASP A 58 -13.694 16.884 5.363 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.462 18.331 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.863 16.592 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.341 17.400 4.333 1.00 0.00 H new ATOM 973 N SER A 59 -13.179 19.797 4.214 1.00 0.00 N ATOM 974 CA SER A 59 -13.378 21.062 3.464 1.00 0.00 C ATOM 975 C SER A 59 -13.831 22.193 4.412 1.00 0.00 C ATOM 976 O SER A 59 -14.462 23.163 3.964 1.00 0.00 O ATOM 977 CB SER A 59 -14.401 20.852 2.313 1.00 0.00 C ATOM 978 OG SER A 59 -15.668 20.439 2.804 1.00 0.00 O ATOM 0 H SER A 59 -14.030 19.243 4.306 1.00 0.00 H new ATOM 0 HA SER A 59 -12.426 21.359 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.513 21.780 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.019 20.104 1.618 1.00 0.00 H new ATOM 0 HG SER A 59 -15.665 19.469 2.942 1.00 0.00 H new ATOM 984 N ALA A 60 -13.501 22.043 5.724 1.00 0.00 N ATOM 985 CA ALA A 60 -13.851 22.999 6.807 1.00 0.00 C ATOM 986 C ALA A 60 -13.595 24.475 6.419 1.00 0.00 C ATOM 987 O ALA A 60 -12.658 24.773 5.664 1.00 0.00 O ATOM 988 CB ALA A 60 -13.084 22.629 8.095 1.00 0.00 C ATOM 0 H ALA A 60 -12.974 21.238 6.063 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.924 22.914 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -13.343 23.332 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -13.356 21.619 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.012 22.675 7.906 1.00 0.00 H new ATOM 994 N LYS A 61 -14.425 25.366 6.991 1.00 0.00 N ATOM 995 CA LYS A 61 -14.600 26.767 6.538 1.00 0.00 C ATOM 996 C LYS A 61 -13.265 27.545 6.498 1.00 0.00 C ATOM 997 O LYS A 61 -12.908 28.131 5.470 1.00 0.00 O ATOM 998 CB LYS A 61 -15.610 27.481 7.471 1.00 0.00 C ATOM 999 CG LYS A 61 -16.970 26.764 7.647 1.00 0.00 C ATOM 1000 CD LYS A 61 -17.778 26.672 6.331 1.00 0.00 C ATOM 1001 CE LYS A 61 -19.125 25.953 6.518 1.00 0.00 C ATOM 1002 NZ LYS A 61 -19.966 26.029 5.300 1.00 0.00 N ATOM 0 H LYS A 61 -15.006 25.133 7.796 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.982 26.745 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.151 27.600 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.794 28.482 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.798 25.759 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.561 27.295 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.956 27.676 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.188 26.143 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.947 24.908 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.660 26.397 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.865 25.533 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.158 27.025 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.466 25.582 4.505 1.00 0.00 H new ATOM 1016 N ASP A 62 -12.538 27.537 7.630 1.00 0.00 N ATOM 1017 CA ASP A 62 -11.196 28.134 7.728 1.00 0.00 C ATOM 1018 C ASP A 62 -10.147 27.035 7.441 1.00 0.00 C ATOM 1019 O ASP A 62 -9.976 26.099 8.230 1.00 0.00 O ATOM 1020 CB ASP A 62 -10.981 28.818 9.121 1.00 0.00 C ATOM 1021 CG ASP A 62 -11.159 27.877 10.334 1.00 0.00 C ATOM 1022 OD1 ASP A 62 -12.301 27.423 10.576 1.00 0.00 O ATOM 1023 OD2 ASP A 62 -10.173 27.596 11.058 1.00 0.00 O ATOM 0 H ASP A 62 -12.865 27.117 8.500 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.084 28.925 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.978 29.243 9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.681 29.648 9.216 1.00 0.00 H new ATOM 1028 N ALA A 63 -9.502 27.135 6.263 1.00 0.00 N ATOM 1029 CA ALA A 63 -8.468 26.191 5.805 1.00 0.00 C ATOM 1030 C ALA A 63 -7.715 26.804 4.604 1.00 0.00 C ATOM 1031 O ALA A 63 -8.338 27.389 3.707 1.00 0.00 O ATOM 1032 CB ALA A 63 -9.100 24.832 5.427 1.00 0.00 C ATOM 0 H ALA A 63 -9.688 27.883 5.595 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.760 26.011 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.320 24.149 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.602 24.410 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.824 24.978 4.625 1.00 0.00 H new ATOM 1038 N VAL A 64 -6.371 26.670 4.599 1.00 0.00 N ATOM 1039 CA VAL A 64 -5.486 27.250 3.558 1.00 0.00 C ATOM 1040 C VAL A 64 -5.336 26.295 2.332 1.00 0.00 C ATOM 1041 O VAL A 64 -4.730 26.661 1.314 1.00 0.00 O ATOM 1042 CB VAL A 64 -4.079 27.611 4.195 1.00 0.00 C ATOM 1043 CG1 VAL A 64 -3.254 26.347 4.566 1.00 0.00 C ATOM 1044 CG2 VAL A 64 -3.267 28.584 3.302 1.00 0.00 C ATOM 0 H VAL A 64 -5.864 26.155 5.319 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.943 28.166 3.183 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.290 28.133 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.300 26.649 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.808 25.751 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.075 25.754 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.311 28.803 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.091 28.124 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.827 29.510 3.170 1.00 0.00 H new ATOM 1054 N ILE A 65 -5.917 25.069 2.449 1.00 0.00 N ATOM 1055 CA ILE A 65 -5.927 24.051 1.366 1.00 0.00 C ATOM 1056 C ILE A 65 -6.566 24.611 0.064 1.00 0.00 C ATOM 1057 O ILE A 65 -7.516 25.404 0.132 1.00 0.00 O ATOM 1058 CB ILE A 65 -6.697 22.729 1.789 1.00 0.00 C ATOM 1059 CG1 ILE A 65 -8.146 23.059 2.287 1.00 0.00 C ATOM 1060 CG2 ILE A 65 -5.903 21.927 2.845 1.00 0.00 C ATOM 1061 CD1 ILE A 65 -8.989 21.853 2.674 1.00 0.00 C ATOM 0 H ILE A 65 -6.391 24.761 3.298 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.882 23.802 1.181 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.786 22.098 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.074 23.723 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.666 23.609 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.458 21.028 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.933 21.646 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.757 22.541 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.972 22.187 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.100 21.195 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.499 21.311 3.483 1.00 0.00 H new ATOM 1073 N PRO A 66 -6.043 24.222 -1.142 1.00 0.00 N ATOM 1074 CA PRO A 66 -6.649 24.609 -2.437 1.00 0.00 C ATOM 1075 C PRO A 66 -7.873 23.725 -2.785 1.00 0.00 C ATOM 1076 O PRO A 66 -8.243 22.826 -2.012 1.00 0.00 O ATOM 1077 CB PRO A 66 -5.480 24.391 -3.429 1.00 0.00 C ATOM 1078 CG PRO A 66 -4.726 23.228 -2.856 1.00 0.00 C ATOM 1079 CD PRO A 66 -4.824 23.375 -1.344 1.00 0.00 C ATOM 0 HA PRO A 66 -7.040 25.626 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.844 24.174 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.850 25.277 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.156 22.282 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.686 23.236 -3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.925 22.406 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.934 23.850 -0.930 1.00 0.00 H new ATOM 1087 N GLY A 67 -8.465 23.969 -3.969 1.00 0.00 N ATOM 1088 CA GLY A 67 -9.609 23.189 -4.456 1.00 0.00 C ATOM 1089 C GLY A 67 -9.216 21.820 -5.033 1.00 0.00 C ATOM 1090 O GLY A 67 -10.082 21.104 -5.546 1.00 0.00 O ATOM 0 H GLY A 67 -8.164 24.706 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.313 23.041 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.129 23.762 -5.223 1.00 0.00 H new ATOM 1094 N LEU A 68 -7.900 21.483 -4.955 1.00 0.00 N ATOM 1095 CA LEU A 68 -7.309 20.215 -5.448 1.00 0.00 C ATOM 1096 C LEU A 68 -7.377 20.118 -6.986 1.00 0.00 C ATOM 1097 O LEU A 68 -7.843 21.058 -7.656 1.00 0.00 O ATOM 1098 CB LEU A 68 -7.950 18.960 -4.766 1.00 0.00 C ATOM 1099 CG LEU A 68 -7.871 18.909 -3.207 1.00 0.00 C ATOM 1100 CD1 LEU A 68 -8.475 17.591 -2.661 1.00 0.00 C ATOM 1101 CD2 LEU A 68 -6.422 19.124 -2.709 1.00 0.00 C ATOM 0 H LEU A 68 -7.207 22.103 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.256 20.227 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.999 18.909 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.465 18.068 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.471 19.730 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.407 17.583 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.521 17.519 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.923 16.743 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.402 19.083 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.778 18.343 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.064 20.098 -3.042 1.00 0.00 H new ATOM 1113 N GLN A 69 -6.868 18.984 -7.522 1.00 0.00 N ATOM 1114 CA GLN A 69 -6.818 18.704 -8.968 1.00 0.00 C ATOM 1115 C GLN A 69 -5.923 19.764 -9.653 1.00 0.00 C ATOM 1116 O GLN A 69 -6.402 20.787 -10.149 1.00 0.00 O ATOM 1117 CB GLN A 69 -8.276 18.591 -9.569 1.00 0.00 C ATOM 1118 CG GLN A 69 -8.392 18.064 -11.036 1.00 0.00 C ATOM 1119 CD GLN A 69 -8.352 19.160 -12.111 1.00 0.00 C ATOM 1120 OE1 GLN A 69 -7.169 19.495 -12.588 1.00 0.00 O flip ATOM 1121 NE2 GLN A 69 -9.381 19.705 -12.498 1.00 0.00 N flip ATOM 0 H GLN A 69 -6.478 18.233 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.362 17.733 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.860 17.934 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.740 19.576 -9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.580 17.361 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.324 17.508 -11.136 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.283 19.426 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.335 20.437 -13.206 1.00 0.00 H new ATOM 1130 N LYS A 70 -4.603 19.531 -9.575 1.00 0.00 N ATOM 1131 CA LYS A 70 -3.579 20.423 -10.136 1.00 0.00 C ATOM 1132 C LYS A 70 -3.590 20.347 -11.676 1.00 0.00 C ATOM 1133 O LYS A 70 -3.935 21.336 -12.339 1.00 0.00 O ATOM 1134 CB LYS A 70 -2.186 20.041 -9.555 1.00 0.00 C ATOM 1135 CG LYS A 70 -1.011 20.942 -9.996 1.00 0.00 C ATOM 1136 CD LYS A 70 0.373 20.493 -9.422 1.00 0.00 C ATOM 1137 CE LYS A 70 0.557 20.719 -7.900 1.00 0.00 C ATOM 1138 NZ LYS A 70 -0.315 19.855 -7.054 1.00 0.00 N ATOM 0 H LYS A 70 -4.214 18.708 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.797 21.454 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.248 20.061 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.961 19.014 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.958 20.949 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.211 21.966 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.511 19.433 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.160 21.030 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.599 20.535 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.350 21.764 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.206 19.565 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.165 20.386 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.595 19.011 -7.593 1.00 0.00 H new ATOM 1152 N ASP A 71 -3.211 19.157 -12.219 1.00 0.00 N ATOM 1153 CA ASP A 71 -3.176 18.859 -13.683 1.00 0.00 C ATOM 1154 C ASP A 71 -2.143 19.737 -14.443 1.00 0.00 C ATOM 1155 O ASP A 71 -1.698 20.781 -13.932 1.00 0.00 O ATOM 1156 CB ASP A 71 -4.609 18.977 -14.298 1.00 0.00 C ATOM 1157 CG ASP A 71 -4.718 18.734 -15.818 1.00 0.00 C ATOM 1158 OD1 ASP A 71 -4.321 17.647 -16.290 1.00 0.00 O ATOM 1159 OD2 ASP A 71 -5.196 19.633 -16.544 1.00 0.00 O ATOM 0 H ASP A 71 -2.917 18.366 -11.646 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.839 17.829 -13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.260 18.266 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.994 19.973 -14.081 1.00 0.00 H new ATOM 1164 N TYR A 72 -1.753 19.269 -15.657 1.00 0.00 N ATOM 1165 CA TYR A 72 -0.795 19.953 -16.544 1.00 0.00 C ATOM 1166 C TYR A 72 0.596 20.022 -15.892 1.00 0.00 C ATOM 1167 O TYR A 72 0.896 20.948 -15.118 1.00 0.00 O ATOM 1168 CB TYR A 72 -1.324 21.358 -16.976 1.00 0.00 C ATOM 1169 CG TYR A 72 -0.388 22.147 -17.912 1.00 0.00 C ATOM 1170 CD1 TYR A 72 -0.131 21.704 -19.212 1.00 0.00 C ATOM 1171 CD2 TYR A 72 0.227 23.333 -17.497 1.00 0.00 C ATOM 1172 CE1 TYR A 72 0.713 22.405 -20.052 1.00 0.00 C ATOM 1173 CE2 TYR A 72 1.072 24.034 -18.341 1.00 0.00 C ATOM 1174 CZ TYR A 72 1.303 23.569 -19.618 1.00 0.00 C ATOM 1175 OH TYR A 72 2.145 24.268 -20.460 1.00 0.00 O ATOM 0 H TYR A 72 -2.104 18.394 -16.046 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.693 19.367 -17.458 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.286 21.230 -17.472 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.504 21.953 -16.081 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -0.600 20.798 -19.566 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.040 23.708 -16.502 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.909 22.039 -21.049 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.548 24.941 -18.000 1.00 0.00 H new ATOM 0 HH TYR A 72 2.970 23.757 -20.596 1.00 0.00 H new ATOM 1185 N GLU A 73 1.436 19.025 -16.199 1.00 0.00 N ATOM 1186 CA GLU A 73 2.799 18.881 -15.635 1.00 0.00 C ATOM 1187 C GLU A 73 3.823 19.722 -16.438 1.00 0.00 C ATOM 1188 O GLU A 73 4.923 19.256 -16.750 1.00 0.00 O ATOM 1189 CB GLU A 73 3.197 17.365 -15.549 1.00 0.00 C ATOM 1190 CG GLU A 73 2.986 16.519 -16.842 1.00 0.00 C ATOM 1191 CD GLU A 73 1.633 15.783 -16.911 1.00 0.00 C ATOM 1192 OE1 GLU A 73 0.619 16.407 -17.281 1.00 0.00 O ATOM 1193 OE2 GLU A 73 1.578 14.576 -16.597 1.00 0.00 O ATOM 0 H GLU A 73 1.192 18.282 -16.854 1.00 0.00 H new ATOM 0 HA GLU A 73 2.805 19.274 -14.618 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.248 17.303 -15.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.624 16.906 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.073 17.175 -17.708 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.789 15.785 -16.916 1.00 0.00 H new ATOM 1200 N GLU A 74 3.435 20.991 -16.695 1.00 0.00 N ATOM 1201 CA GLU A 74 4.209 21.988 -17.455 1.00 0.00 C ATOM 1202 C GLU A 74 4.589 21.490 -18.875 1.00 0.00 C ATOM 1203 O GLU A 74 3.875 21.746 -19.846 1.00 0.00 O ATOM 1204 CB GLU A 74 5.462 22.463 -16.666 1.00 0.00 C ATOM 1205 CG GLU A 74 5.170 23.147 -15.317 1.00 0.00 C ATOM 1206 CD GLU A 74 6.455 23.656 -14.634 1.00 0.00 C ATOM 1207 OE1 GLU A 74 6.968 24.725 -15.035 1.00 0.00 O ATOM 1208 OE2 GLU A 74 6.974 22.986 -13.716 1.00 0.00 O ATOM 0 H GLU A 74 2.542 21.358 -16.366 1.00 0.00 H new ATOM 0 HA GLU A 74 3.555 22.850 -17.590 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.106 21.602 -16.486 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.024 23.156 -17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.489 23.983 -15.475 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.663 22.443 -14.657 1.00 0.00 H new ATOM 1215 N ASP A 75 5.697 20.751 -18.972 1.00 0.00 N ATOM 1216 CA ASP A 75 6.269 20.316 -20.261 1.00 0.00 C ATOM 1217 C ASP A 75 6.998 18.967 -20.111 1.00 0.00 C ATOM 1218 O ASP A 75 7.815 18.599 -20.963 1.00 0.00 O ATOM 1219 CB ASP A 75 7.212 21.417 -20.819 1.00 0.00 C ATOM 1220 CG ASP A 75 8.441 21.696 -19.932 1.00 0.00 C ATOM 1221 OD1 ASP A 75 8.303 22.423 -18.920 1.00 0.00 O ATOM 1222 OD2 ASP A 75 9.541 21.186 -20.237 1.00 0.00 O ATOM 0 H ASP A 75 6.228 20.434 -18.161 1.00 0.00 H new ATOM 0 HA ASP A 75 5.460 20.166 -20.976 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.552 21.121 -21.811 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.645 22.340 -20.938 1.00 0.00 H new ATOM 1227 N PHE A 76 6.629 18.204 -19.056 1.00 0.00 N ATOM 1228 CA PHE A 76 7.158 16.844 -18.802 1.00 0.00 C ATOM 1229 C PHE A 76 6.855 15.907 -19.992 1.00 0.00 C ATOM 1230 O PHE A 76 7.566 14.932 -20.200 1.00 0.00 O ATOM 1231 CB PHE A 76 6.572 16.273 -17.479 1.00 0.00 C ATOM 1232 CG PHE A 76 7.087 14.875 -17.107 1.00 0.00 C ATOM 1233 CD1 PHE A 76 8.321 14.715 -16.484 1.00 0.00 C ATOM 1234 CD2 PHE A 76 6.339 13.722 -17.387 1.00 0.00 C ATOM 1235 CE1 PHE A 76 8.800 13.459 -16.162 1.00 0.00 C ATOM 1236 CE2 PHE A 76 6.820 12.464 -17.061 1.00 0.00 C ATOM 1237 CZ PHE A 76 8.049 12.335 -16.445 1.00 0.00 C ATOM 0 H PHE A 76 5.955 18.515 -18.356 1.00 0.00 H new ATOM 0 HA PHE A 76 8.241 16.909 -18.696 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.805 16.961 -16.666 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.486 16.236 -17.563 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.914 15.586 -16.248 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.374 13.816 -17.863 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.765 13.356 -15.688 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.234 11.586 -17.288 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.423 11.356 -16.185 1.00 0.00 H new ATOM 1247 N LYS A 77 5.786 16.232 -20.758 1.00 0.00 N ATOM 1248 CA LYS A 77 5.376 15.484 -21.981 1.00 0.00 C ATOM 1249 C LYS A 77 6.547 15.343 -22.976 1.00 0.00 C ATOM 1250 O LYS A 77 6.717 14.297 -23.610 1.00 0.00 O ATOM 1251 CB LYS A 77 4.199 16.203 -22.692 1.00 0.00 C ATOM 1252 CG LYS A 77 2.989 16.515 -21.789 1.00 0.00 C ATOM 1253 CD LYS A 77 2.316 15.248 -21.199 1.00 0.00 C ATOM 1254 CE LYS A 77 1.001 15.575 -20.480 1.00 0.00 C ATOM 1255 NZ LYS A 77 0.025 16.238 -21.380 1.00 0.00 N ATOM 0 H LYS A 77 5.178 17.024 -20.548 1.00 0.00 H new ATOM 0 HA LYS A 77 5.063 14.491 -21.659 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.567 17.137 -23.118 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.863 15.584 -23.524 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.312 17.160 -20.972 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.251 17.075 -22.364 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.123 14.534 -22.000 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.000 14.766 -20.501 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.565 14.657 -20.086 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.205 16.222 -19.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.928 16.168 -20.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.281 17.240 -21.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.037 15.771 -22.309 1.00 0.00 H new ATOM 1269 N THR A 78 7.338 16.424 -23.097 1.00 0.00 N ATOM 1270 CA THR A 78 8.550 16.458 -23.932 1.00 0.00 C ATOM 1271 C THR A 78 9.614 15.483 -23.385 1.00 0.00 C ATOM 1272 O THR A 78 10.136 14.652 -24.128 1.00 0.00 O ATOM 1273 CB THR A 78 9.119 17.909 -24.012 1.00 0.00 C ATOM 1274 OG1 THR A 78 8.109 18.785 -24.547 1.00 0.00 O ATOM 1275 CG2 THR A 78 10.410 18.011 -24.868 1.00 0.00 C ATOM 0 H THR A 78 7.152 17.303 -22.615 1.00 0.00 H new ATOM 0 HA THR A 78 8.283 16.140 -24.940 1.00 0.00 H new ATOM 0 HB THR A 78 9.391 18.206 -22.999 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.461 19.698 -24.598 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.755 19.045 -24.884 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.184 17.377 -24.436 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.199 17.683 -25.886 1.00 0.00 H new ATOM 1283 N ALA A 79 9.879 15.566 -22.064 1.00 0.00 N ATOM 1284 CA ALA A 79 10.826 14.666 -21.352 1.00 0.00 C ATOM 1285 C ALA A 79 10.346 13.190 -21.393 1.00 0.00 C ATOM 1286 O ALA A 79 11.158 12.264 -21.314 1.00 0.00 O ATOM 1287 CB ALA A 79 10.994 15.131 -19.888 1.00 0.00 C ATOM 0 H ALA A 79 9.444 16.259 -21.455 1.00 0.00 H new ATOM 0 HA ALA A 79 11.789 14.718 -21.861 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.689 14.467 -19.373 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.385 16.148 -19.872 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.027 15.106 -19.385 1.00 0.00 H new ATOM 1293 N LEU A 80 9.020 13.010 -21.527 1.00 0.00 N ATOM 1294 CA LEU A 80 8.348 11.695 -21.512 1.00 0.00 C ATOM 1295 C LEU A 80 8.586 10.967 -22.851 1.00 0.00 C ATOM 1296 O LEU A 80 8.948 9.780 -22.864 1.00 0.00 O ATOM 1297 CB LEU A 80 6.823 11.911 -21.201 1.00 0.00 C ATOM 1298 CG LEU A 80 5.890 10.659 -20.977 1.00 0.00 C ATOM 1299 CD1 LEU A 80 5.418 10.022 -22.303 1.00 0.00 C ATOM 1300 CD2 LEU A 80 6.557 9.623 -20.043 1.00 0.00 C ATOM 0 H LEU A 80 8.372 13.788 -21.651 1.00 0.00 H new ATOM 0 HA LEU A 80 8.762 11.057 -20.731 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.757 12.531 -20.307 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.401 12.490 -22.023 1.00 0.00 H new ATOM 0 HG LEU A 80 4.990 11.021 -20.480 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.779 9.165 -22.088 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.857 10.757 -22.880 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.284 9.694 -22.878 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.889 8.772 -19.908 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.493 9.283 -20.486 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.759 10.082 -19.075 1.00 0.00 H new ATOM 1312 N LEU A 81 8.393 11.689 -23.973 1.00 0.00 N ATOM 1313 CA LEU A 81 8.615 11.130 -25.327 1.00 0.00 C ATOM 1314 C LEU A 81 10.123 11.055 -25.646 1.00 0.00 C ATOM 1315 O LEU A 81 10.547 10.238 -26.461 1.00 0.00 O ATOM 1316 CB LEU A 81 7.811 11.939 -26.407 1.00 0.00 C ATOM 1317 CG LEU A 81 8.103 13.483 -26.563 1.00 0.00 C ATOM 1318 CD1 LEU A 81 9.395 13.790 -27.364 1.00 0.00 C ATOM 1319 CD2 LEU A 81 6.886 14.224 -27.178 1.00 0.00 C ATOM 0 H LEU A 81 8.084 12.661 -23.971 1.00 0.00 H new ATOM 0 HA LEU A 81 8.233 10.109 -25.351 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.989 11.469 -27.374 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.750 11.823 -26.186 1.00 0.00 H new ATOM 0 HG LEU A 81 8.272 13.858 -25.554 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.533 14.869 -27.432 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.252 13.346 -26.857 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.310 13.371 -28.367 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.116 15.285 -27.273 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.668 13.810 -28.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.018 14.098 -26.531 1.00 0.00 H new ATOM 1331 N ARG A 82 10.921 11.916 -24.975 1.00 0.00 N ATOM 1332 CA ARG A 82 12.390 11.996 -25.166 1.00 0.00 C ATOM 1333 C ARG A 82 13.111 10.994 -24.238 1.00 0.00 C ATOM 1334 O ARG A 82 14.298 10.716 -24.411 1.00 0.00 O ATOM 1335 CB ARG A 82 12.876 13.461 -24.928 1.00 0.00 C ATOM 1336 CG ARG A 82 14.237 13.821 -25.566 1.00 0.00 C ATOM 1337 CD ARG A 82 14.580 15.321 -25.429 1.00 0.00 C ATOM 1338 NE ARG A 82 15.718 15.709 -26.279 1.00 0.00 N ATOM 1339 CZ ARG A 82 16.491 16.789 -26.098 1.00 0.00 C ATOM 1340 NH1 ARG A 82 16.362 17.551 -25.014 1.00 0.00 N ATOM 1341 NH2 ARG A 82 17.411 17.084 -27.001 1.00 0.00 N ATOM 0 H ARG A 82 10.565 12.577 -24.284 1.00 0.00 H new ATOM 0 HA ARG A 82 12.637 11.722 -26.192 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.120 14.144 -25.316 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.941 13.634 -23.854 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.022 13.228 -25.096 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.222 13.551 -26.622 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.708 15.918 -25.697 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.812 15.546 -24.388 1.00 0.00 H new ATOM 0 HE ARG A 82 15.936 15.106 -27.072 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.667 17.316 -24.305 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.958 18.369 -24.892 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.526 16.492 -27.824 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.005 17.903 -26.875 1.00 0.00 H new ATOM 1355 N ALA A 83 12.364 10.456 -23.247 1.00 0.00 N ATOM 1356 CA ALA A 83 12.793 9.289 -22.447 1.00 0.00 C ATOM 1357 C ALA A 83 12.852 8.041 -23.349 1.00 0.00 C ATOM 1358 O ALA A 83 13.651 7.126 -23.132 1.00 0.00 O ATOM 1359 CB ALA A 83 11.829 9.062 -21.267 1.00 0.00 C ATOM 0 H ALA A 83 11.449 10.819 -22.981 1.00 0.00 H new ATOM 0 HA ALA A 83 13.786 9.479 -22.039 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.159 8.199 -20.688 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.821 9.946 -20.629 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.824 8.880 -21.648 1.00 0.00 H new ATOM 1365 N ARG A 84 11.977 8.029 -24.369 1.00 0.00 N ATOM 1366 CA ARG A 84 11.946 6.990 -25.411 1.00 0.00 C ATOM 1367 C ARG A 84 12.946 7.336 -26.542 1.00 0.00 C ATOM 1368 O ARG A 84 13.711 6.474 -26.997 1.00 0.00 O ATOM 1369 CB ARG A 84 10.495 6.863 -25.962 1.00 0.00 C ATOM 1370 CG ARG A 84 9.436 6.492 -24.892 1.00 0.00 C ATOM 1371 CD ARG A 84 9.731 5.132 -24.239 1.00 0.00 C ATOM 1372 NE ARG A 84 8.792 4.778 -23.161 1.00 0.00 N ATOM 1373 CZ ARG A 84 8.860 3.656 -22.432 1.00 0.00 C ATOM 1374 NH1 ARG A 84 9.801 2.746 -22.668 1.00 0.00 N ATOM 1375 NH2 ARG A 84 7.987 3.458 -21.465 1.00 0.00 N ATOM 0 H ARG A 84 11.264 8.748 -24.494 1.00 0.00 H new ATOM 0 HA ARG A 84 12.246 6.032 -24.986 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.211 7.808 -26.425 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.482 6.107 -26.747 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.410 7.265 -24.124 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.448 6.467 -25.353 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.701 4.357 -25.005 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.744 5.144 -23.837 1.00 0.00 H new ATOM 0 HE ARG A 84 8.037 5.433 -22.955 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.482 2.898 -23.412 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.841 1.896 -22.105 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.267 4.156 -21.277 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.031 2.607 -20.905 1.00 0.00 H new ATOM 1389 N GLY A 85 12.924 8.615 -26.964 1.00 0.00 N ATOM 1390 CA GLY A 85 13.782 9.124 -28.036 1.00 0.00 C ATOM 1391 C GLY A 85 15.205 9.373 -27.549 1.00 0.00 C ATOM 1392 O GLY A 85 15.487 10.418 -26.968 1.00 0.00 O ATOM 0 H GLY A 85 12.306 9.322 -26.565 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.799 8.409 -28.859 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.364 10.051 -28.428 1.00 0.00 H new ATOM 1396 N VAL A 86 16.088 8.392 -27.776 1.00 0.00 N ATOM 1397 CA VAL A 86 17.473 8.397 -27.266 1.00 0.00 C ATOM 1398 C VAL A 86 18.409 9.193 -28.206 1.00 0.00 C ATOM 1399 O VAL A 86 18.529 8.862 -29.389 1.00 0.00 O ATOM 1400 CB VAL A 86 18.010 6.924 -27.098 1.00 0.00 C ATOM 1401 CG1 VAL A 86 19.419 6.904 -26.445 1.00 0.00 C ATOM 1402 CG2 VAL A 86 17.005 6.053 -26.298 1.00 0.00 C ATOM 0 H VAL A 86 15.862 7.562 -28.324 1.00 0.00 H new ATOM 0 HA VAL A 86 17.465 8.884 -26.291 1.00 0.00 H new ATOM 0 HB VAL A 86 18.107 6.492 -28.094 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.759 5.873 -26.344 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.118 7.457 -27.072 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.370 7.368 -25.460 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.400 5.042 -26.197 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.856 6.485 -25.309 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.052 6.019 -26.826 1.00 0.00 H new ATOM 1412 N ILE A 87 19.051 10.253 -27.666 1.00 0.00 N ATOM 1413 CA ILE A 87 20.061 11.048 -28.395 1.00 0.00 C ATOM 1414 C ILE A 87 21.459 10.478 -28.067 1.00 0.00 C ATOM 1415 O ILE A 87 22.134 9.909 -28.935 1.00 0.00 O ATOM 1416 CB ILE A 87 20.010 12.598 -28.034 1.00 0.00 C ATOM 1417 CG1 ILE A 87 18.608 13.243 -28.356 1.00 0.00 C ATOM 1418 CG2 ILE A 87 21.159 13.383 -28.735 1.00 0.00 C ATOM 1419 CD1 ILE A 87 17.490 12.929 -27.370 1.00 0.00 C ATOM 0 H ILE A 87 18.883 10.580 -26.714 1.00 0.00 H new ATOM 0 HA ILE A 87 19.845 10.972 -29.461 1.00 0.00 H new ATOM 0 HB ILE A 87 20.157 12.672 -26.956 1.00 0.00 H new ATOM 0 HG12 ILE A 87 18.730 14.325 -28.405 1.00 0.00 H new ATOM 0 HG13 ILE A 87 18.296 12.912 -29.347 1.00 0.00 H new ATOM 0 HG21 ILE A 87 21.095 14.438 -28.467 1.00 0.00 H new ATOM 0 HG22 ILE A 87 22.121 12.985 -28.413 1.00 0.00 H new ATOM 0 HG23 ILE A 87 21.066 13.277 -29.816 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.573 13.424 -27.690 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.328 11.852 -27.335 1.00 0.00 H new ATOM 0 HD13 ILE A 87 17.768 13.287 -26.379 1.00 0.00 H new ATOM 1431 N LYS A 88 21.867 10.622 -26.791 1.00 0.00 N ATOM 1432 CA LYS A 88 23.177 10.149 -26.302 1.00 0.00 C ATOM 1433 C LYS A 88 23.063 8.676 -25.860 1.00 0.00 C ATOM 1434 O LYS A 88 22.097 8.299 -25.191 1.00 0.00 O ATOM 1435 CB LYS A 88 23.668 11.053 -25.129 1.00 0.00 C ATOM 1436 CG LYS A 88 22.748 11.050 -23.883 1.00 0.00 C ATOM 1437 CD LYS A 88 23.174 12.061 -22.800 1.00 0.00 C ATOM 1438 CE LYS A 88 22.247 12.029 -21.568 1.00 0.00 C ATOM 1439 NZ LYS A 88 22.646 13.026 -20.544 1.00 0.00 N ATOM 0 H LYS A 88 21.299 11.069 -26.071 1.00 0.00 H new ATOM 0 HA LYS A 88 23.911 10.212 -27.105 1.00 0.00 H new ATOM 0 HB2 LYS A 88 24.664 10.727 -24.829 1.00 0.00 H new ATOM 0 HB3 LYS A 88 23.763 12.076 -25.492 1.00 0.00 H new ATOM 0 HG2 LYS A 88 21.727 11.272 -24.195 1.00 0.00 H new ATOM 0 HG3 LYS A 88 22.739 10.049 -23.451 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.196 11.846 -22.488 1.00 0.00 H new ATOM 0 HD3 LYS A 88 23.175 13.065 -23.224 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.221 12.222 -21.881 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.263 11.032 -21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.997 12.970 -19.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.616 12.827 -20.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.606 13.981 -20.955 1.00 0.00 H new ATOM 1453 N GLU A 89 24.044 7.852 -26.272 1.00 0.00 N ATOM 1454 CA GLU A 89 24.112 6.419 -25.918 1.00 0.00 C ATOM 1455 C GLU A 89 25.562 5.900 -26.111 1.00 0.00 C ATOM 1456 O GLU A 89 26.185 5.459 -25.124 1.00 0.00 O ATOM 1457 CB GLU A 89 23.069 5.565 -26.713 1.00 0.00 C ATOM 1458 CG GLU A 89 23.014 5.818 -28.238 1.00 0.00 C ATOM 1459 CD GLU A 89 22.071 4.852 -28.981 1.00 0.00 C ATOM 1460 OE1 GLU A 89 22.521 3.745 -29.339 1.00 0.00 O ATOM 1461 OE2 GLU A 89 20.882 5.184 -29.188 1.00 0.00 O ATOM 1462 OXT GLU A 89 26.097 6.008 -27.238 1.00 0.00 O ATOM 0 H GLU A 89 24.816 8.161 -26.863 1.00 0.00 H new ATOM 0 HA GLU A 89 23.845 6.311 -24.867 1.00 0.00 H new ATOM 0 HB2 GLU A 89 23.289 4.510 -26.546 1.00 0.00 H new ATOM 0 HB3 GLU A 89 22.080 5.754 -26.296 1.00 0.00 H new ATOM 0 HG2 GLU A 89 22.689 6.843 -28.418 1.00 0.00 H new ATOM 0 HG3 GLU A 89 24.018 5.725 -28.651 1.00 0.00 H new TER 1469 GLU A 89