USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 940 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 95 HIS :FLIP no HD1:sc= -0.653 F(o=-3.2,f=-0.53) USER MOD Set 1.2: A 98 CYS SG : rot -35:sc= -0.353 USER MOD Set 1.3: A 99 THR OG1 : rot 77:sc= 0.475 USER MOD Set 2.1: A 77 SER OG : rot -6:sc= 0.836 USER MOD Set 2.2: A 78 ASN : amide:sc= 0.544 K(o=1.4,f=-2.5) USER MOD Single : A 8 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00613 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 14:sc= 0.0253 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.97! C(o=-5!,f=-14!) USER MOD Single : A 34 SER OG : rot -170:sc= -0.0268 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0665) USER MOD Single : A 38 SER OG : rot 101:sc= 0.516 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0.0899 (180deg=0.0877) USER MOD Single : A 48 MET CE :methyl 137:sc= -0.216 (180deg=-1.09) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= -0.839 (180deg=-1.93!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.6!) USER MOD Single : A 62 TYR OH : rot -140:sc= -2.17 USER MOD Single : A 64 THR OG1 : rot 117:sc= -1.7! USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000471) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.193 (180deg=-1.44!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.541 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0375) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 74:sc= 0.35 USER MOD Single : A 105 HIS : no HD1:sc= -3.07 X(o=-3.1,f=-3.1!) USER MOD Single : A 117 ASN : amide:sc= -0.784 K(o=-0.78,f=-1.7) USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0626) USER MOD Single : A 120 CYS SG : rot -11:sc= -0.761 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.161 18.763 3.957 1.00 0.00 N ATOM 60 CA GLY A 7 1.010 18.354 4.710 1.00 0.00 C ATOM 61 C GLY A 7 0.678 17.366 5.809 1.00 0.00 C ATOM 62 O GLY A 7 0.849 16.159 5.641 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.736 17.907 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.482 19.234 5.147 1.00 0.00 H new ATOM 66 N ASN A 8 0.202 17.878 6.940 1.00 0.00 N ATOM 67 CA ASN A 8 -0.153 17.032 8.073 1.00 0.00 C ATOM 68 C ASN A 8 -1.150 15.955 7.656 1.00 0.00 C ATOM 69 O ASN A 8 -1.059 14.806 8.091 1.00 0.00 O ATOM 70 CB ASN A 8 -0.743 17.878 9.203 1.00 0.00 C ATOM 71 CG ASN A 8 0.113 19.087 9.527 1.00 0.00 C ATOM 72 OD1 ASN A 8 1.275 18.954 9.911 1.00 0.00 O ATOM 73 ND2 ASN A 8 -0.460 20.275 9.374 1.00 0.00 N ATOM 0 H ASN A 8 0.053 18.875 7.096 1.00 0.00 H new ATOM 0 HA ASN A 8 0.755 16.544 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.743 18.209 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.851 17.262 10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.066 21.125 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.426 20.338 9.053 1.00 0.00 H new ATOM 80 N THR A 9 -2.102 16.333 6.808 1.00 0.00 N ATOM 81 CA THR A 9 -3.116 15.401 6.332 1.00 0.00 C ATOM 82 C THR A 9 -2.480 14.131 5.779 1.00 0.00 C ATOM 83 O THR A 9 -2.912 13.021 6.092 1.00 0.00 O ATOM 84 CB THR A 9 -3.996 16.038 5.240 1.00 0.00 C ATOM 85 OG1 THR A 9 -4.390 17.356 5.636 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.233 15.191 4.979 1.00 0.00 C ATOM 0 H THR A 9 -2.191 17.279 6.437 1.00 0.00 H new ATOM 0 HA THR A 9 -3.740 15.148 7.189 1.00 0.00 H new ATOM 0 HB THR A 9 -3.413 16.094 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.948 17.755 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.839 15.661 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.930 14.197 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.817 15.108 5.896 1.00 0.00 H new ATOM 94 N LEU A 10 -1.450 14.301 4.957 1.00 0.00 N ATOM 95 CA LEU A 10 -0.752 13.167 4.361 1.00 0.00 C ATOM 96 C LEU A 10 -0.116 12.292 5.436 1.00 0.00 C ATOM 97 O LEU A 10 -0.269 11.070 5.427 1.00 0.00 O ATOM 98 CB LEU A 10 0.320 13.658 3.387 1.00 0.00 C ATOM 99 CG LEU A 10 -0.126 13.846 1.936 1.00 0.00 C ATOM 100 CD1 LEU A 10 -0.541 12.515 1.329 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.267 14.850 1.855 1.00 0.00 C ATOM 0 H LEU A 10 -1.080 15.213 4.688 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.482 12.568 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.707 14.609 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.148 12.950 3.403 1.00 0.00 H new ATOM 0 HG LEU A 10 0.716 14.236 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.855 12.668 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.303 11.825 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.368 12.096 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.572 14.971 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.112 14.488 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.936 15.810 2.250 1.00 0.00 H new ATOM 113 N ARG A 11 0.595 12.925 6.363 1.00 0.00 N ATOM 114 CA ARG A 11 1.253 12.205 7.446 1.00 0.00 C ATOM 115 C ARG A 11 0.271 11.280 8.160 1.00 0.00 C ATOM 116 O ARG A 11 0.611 10.151 8.511 1.00 0.00 O ATOM 117 CB ARG A 11 1.861 13.189 8.447 1.00 0.00 C ATOM 118 CG ARG A 11 2.551 12.515 9.622 1.00 0.00 C ATOM 119 CD ARG A 11 1.582 12.267 10.768 1.00 0.00 C ATOM 120 NE ARG A 11 2.244 11.670 11.924 1.00 0.00 N ATOM 121 CZ ARG A 11 1.699 11.610 13.134 1.00 0.00 C ATOM 122 NH1 ARG A 11 0.488 12.108 13.344 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.364 11.050 14.136 1.00 0.00 N ATOM 0 H ARG A 11 0.730 13.936 6.386 1.00 0.00 H new ATOM 0 HA ARG A 11 2.049 11.599 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.581 13.823 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.075 13.842 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.983 11.568 9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.375 13.139 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.119 13.209 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.781 11.610 10.430 1.00 0.00 H new ATOM 0 HE ARG A 11 3.177 11.277 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.027 12.538 12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.071 12.061 14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.295 10.665 13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.944 11.005 15.065 1.00 0.00 H new ATOM 137 N GLU A 12 -0.948 11.768 8.370 1.00 0.00 N ATOM 138 CA GLU A 12 -1.978 10.986 9.043 1.00 0.00 C ATOM 139 C GLU A 12 -2.354 9.758 8.218 1.00 0.00 C ATOM 140 O GLU A 12 -2.555 8.670 8.759 1.00 0.00 O ATOM 141 CB GLU A 12 -3.219 11.844 9.294 1.00 0.00 C ATOM 142 CG GLU A 12 -2.989 12.970 10.289 1.00 0.00 C ATOM 143 CD GLU A 12 -2.898 12.474 11.719 1.00 0.00 C ATOM 144 OE1 GLU A 12 -1.836 11.934 12.093 1.00 0.00 O ATOM 145 OE2 GLU A 12 -3.889 12.627 12.465 1.00 0.00 O ATOM 0 H GLU A 12 -1.246 12.701 8.084 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.577 10.652 10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.554 12.269 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.024 11.206 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.070 13.496 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.802 13.692 10.210 1.00 0.00 H new ATOM 152 N LEU A 13 -2.448 9.941 6.905 1.00 0.00 N ATOM 153 CA LEU A 13 -2.801 8.849 6.004 1.00 0.00 C ATOM 154 C LEU A 13 -1.707 7.786 5.983 1.00 0.00 C ATOM 155 O LEU A 13 -1.990 6.589 6.054 1.00 0.00 O ATOM 156 CB LEU A 13 -3.035 9.384 4.590 1.00 0.00 C ATOM 157 CG LEU A 13 -3.516 8.364 3.558 1.00 0.00 C ATOM 158 CD1 LEU A 13 -4.927 7.901 3.883 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.455 8.954 2.157 1.00 0.00 C ATOM 0 H LEU A 13 -2.285 10.835 6.441 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.720 8.391 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.768 10.189 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.104 9.823 4.231 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.855 7.498 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.253 7.175 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.940 7.438 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.602 8.757 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.801 8.214 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.093 9.837 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.428 9.235 1.925 1.00 0.00 H new ATOM 171 N ARG A 14 -0.459 8.230 5.888 1.00 0.00 N ATOM 172 CA ARG A 14 0.677 7.317 5.859 1.00 0.00 C ATOM 173 C ARG A 14 0.506 6.204 6.889 1.00 0.00 C ATOM 174 O ARG A 14 0.533 5.020 6.550 1.00 0.00 O ATOM 175 CB ARG A 14 1.978 8.077 6.126 1.00 0.00 C ATOM 176 CG ARG A 14 3.214 7.193 6.115 1.00 0.00 C ATOM 177 CD ARG A 14 4.488 8.018 6.034 1.00 0.00 C ATOM 178 NE ARG A 14 4.980 8.397 7.356 1.00 0.00 N ATOM 179 CZ ARG A 14 5.905 9.329 7.556 1.00 0.00 C ATOM 180 NH1 ARG A 14 6.437 9.973 6.526 1.00 0.00 N ATOM 181 NH2 ARG A 14 6.301 9.618 8.789 1.00 0.00 N ATOM 0 H ARG A 14 -0.208 9.217 5.830 1.00 0.00 H new ATOM 0 HA ARG A 14 0.724 6.868 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.094 8.858 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.906 8.574 7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.233 6.581 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.167 6.510 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.256 7.448 5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.301 8.916 5.445 1.00 0.00 H new ATOM 0 HE ARG A 14 4.592 7.920 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.136 9.753 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.147 10.688 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.895 9.124 9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.011 10.334 8.942 1.00 0.00 H new ATOM 195 N LEU A 15 0.331 6.591 8.148 1.00 0.00 N ATOM 196 CA LEU A 15 0.156 5.627 9.228 1.00 0.00 C ATOM 197 C LEU A 15 -1.105 4.795 9.017 1.00 0.00 C ATOM 198 O LEU A 15 -1.051 3.566 8.976 1.00 0.00 O ATOM 199 CB LEU A 15 0.086 6.348 10.576 1.00 0.00 C ATOM 200 CG LEU A 15 1.299 7.202 10.944 1.00 0.00 C ATOM 201 CD1 LEU A 15 0.955 8.160 12.074 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.476 6.319 11.331 1.00 0.00 C ATOM 0 H LEU A 15 0.307 7.566 8.446 1.00 0.00 H new ATOM 0 HA LEU A 15 1.015 4.957 9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.797 6.987 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.058 5.602 11.357 1.00 0.00 H new ATOM 0 HG LEU A 15 1.583 7.790 10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.831 8.759 12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.143 8.816 11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.644 7.592 12.951 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.330 6.944 11.590 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.203 5.704 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.739 5.675 10.492 1.00 0.00 H new ATOM 214 N PHE A 16 -2.239 5.474 8.881 1.00 0.00 N ATOM 215 CA PHE A 16 -3.514 4.798 8.673 1.00 0.00 C ATOM 216 C PHE A 16 -3.356 3.622 7.714 1.00 0.00 C ATOM 217 O PHE A 16 -3.385 2.461 8.127 1.00 0.00 O ATOM 218 CB PHE A 16 -4.552 5.780 8.126 1.00 0.00 C ATOM 219 CG PHE A 16 -5.848 5.127 7.736 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.598 4.433 8.671 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.316 5.209 6.434 1.00 0.00 C ATOM 222 CE1 PHE A 16 -7.790 3.831 8.315 1.00 0.00 C ATOM 223 CE2 PHE A 16 -7.507 4.609 6.072 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.246 3.920 7.014 1.00 0.00 C ATOM 0 H PHE A 16 -2.301 6.492 8.911 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.856 4.416 9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.751 6.543 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.136 6.290 7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.247 4.361 9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.743 5.748 5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.365 3.291 9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.860 4.679 5.054 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.178 3.452 6.734 1.00 0.00 H new ATOM 234 N LEU A 17 -3.188 3.929 6.433 1.00 0.00 N ATOM 235 CA LEU A 17 -3.025 2.898 5.414 1.00 0.00 C ATOM 236 C LEU A 17 -2.202 1.730 5.948 1.00 0.00 C ATOM 237 O LEU A 17 -2.708 0.617 6.095 1.00 0.00 O ATOM 238 CB LEU A 17 -2.353 3.484 4.170 1.00 0.00 C ATOM 239 CG LEU A 17 -3.145 4.557 3.423 1.00 0.00 C ATOM 240 CD1 LEU A 17 -2.295 5.181 2.327 1.00 0.00 C ATOM 241 CD2 LEU A 17 -4.422 3.970 2.841 1.00 0.00 C ATOM 0 H LEU A 17 -3.161 4.884 6.075 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.014 2.528 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.394 3.909 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.141 2.669 3.478 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.419 5.338 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.875 5.943 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.410 5.638 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.990 4.410 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.973 4.749 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.170 3.169 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.039 3.572 3.646 1.00 0.00 H new ATOM 253 N ARG A 18 -0.932 1.991 6.238 1.00 0.00 N ATOM 254 CA ARG A 18 -0.039 0.962 6.756 1.00 0.00 C ATOM 255 C ARG A 18 -0.735 0.129 7.828 1.00 0.00 C ATOM 256 O ARG A 18 -0.919 -1.078 7.668 1.00 0.00 O ATOM 257 CB ARG A 18 1.228 1.599 7.332 1.00 0.00 C ATOM 258 CG ARG A 18 2.361 1.719 6.326 1.00 0.00 C ATOM 259 CD ARG A 18 3.481 2.603 6.851 1.00 0.00 C ATOM 260 NE ARG A 18 4.310 1.910 7.833 1.00 0.00 N ATOM 261 CZ ARG A 18 5.353 2.467 8.439 1.00 0.00 C ATOM 262 NH1 ARG A 18 5.692 3.719 8.164 1.00 0.00 N ATOM 263 NH2 ARG A 18 6.059 1.771 9.321 1.00 0.00 N ATOM 0 H ARG A 18 -0.498 2.907 6.123 1.00 0.00 H new ATOM 0 HA ARG A 18 0.236 0.305 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.985 2.591 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.569 1.006 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.754 0.728 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.978 2.131 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.103 2.932 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.054 3.498 7.304 1.00 0.00 H new ATOM 0 HE ARG A 18 4.076 0.945 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.152 4.256 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.493 4.145 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.801 0.807 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.860 2.200 9.786 1.00 0.00 H new ATOM 277 N ASP A 19 -1.118 0.780 8.921 1.00 0.00 N ATOM 278 CA ASP A 19 -1.794 0.100 10.019 1.00 0.00 C ATOM 279 C ASP A 19 -2.807 -0.911 9.491 1.00 0.00 C ATOM 280 O ASP A 19 -2.911 -2.026 10.001 1.00 0.00 O ATOM 281 CB ASP A 19 -2.492 1.116 10.924 1.00 0.00 C ATOM 282 CG ASP A 19 -2.987 0.497 12.216 1.00 0.00 C ATOM 283 OD1 ASP A 19 -2.150 0.221 13.100 1.00 0.00 O ATOM 284 OD2 ASP A 19 -4.212 0.287 12.343 1.00 0.00 O ATOM 0 H ASP A 19 -0.972 1.778 9.070 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.043 -0.435 10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.802 1.927 11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.334 1.556 10.390 1.00 0.00 H new ATOM 289 N VAL A 20 -3.554 -0.512 8.466 1.00 0.00 N ATOM 290 CA VAL A 20 -4.559 -1.382 7.869 1.00 0.00 C ATOM 291 C VAL A 20 -3.911 -2.574 7.172 1.00 0.00 C ATOM 292 O VAL A 20 -4.226 -3.727 7.468 1.00 0.00 O ATOM 293 CB VAL A 20 -5.430 -0.619 6.853 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.400 -1.566 6.162 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.177 0.515 7.538 1.00 0.00 C ATOM 0 H VAL A 20 -3.482 0.408 8.032 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.191 -1.740 8.682 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.778 -0.188 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.006 -1.009 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.841 -2.340 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.049 -2.029 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.787 1.043 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.819 0.108 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.461 1.207 7.981 1.00 0.00 H new ATOM 305 N THR A 21 -3.002 -2.288 6.245 1.00 0.00 N ATOM 306 CA THR A 21 -2.309 -3.335 5.505 1.00 0.00 C ATOM 307 C THR A 21 -1.623 -4.313 6.451 1.00 0.00 C ATOM 308 O THR A 21 -1.858 -5.520 6.391 1.00 0.00 O ATOM 309 CB THR A 21 -1.260 -2.744 4.545 1.00 0.00 C ATOM 310 OG1 THR A 21 -1.889 -1.845 3.625 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.547 -3.847 3.778 1.00 0.00 C ATOM 0 H THR A 21 -2.729 -1.339 5.989 1.00 0.00 H new ATOM 0 HA THR A 21 -3.064 -3.865 4.924 1.00 0.00 H new ATOM 0 HB THR A 21 -0.523 -2.200 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.215 -1.473 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.189 -3.406 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.045 -4.512 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.274 -4.415 3.197 1.00 0.00 H new ATOM 319 N LYS A 22 -0.772 -3.786 7.325 1.00 0.00 N ATOM 320 CA LYS A 22 -0.051 -4.613 8.286 1.00 0.00 C ATOM 321 C LYS A 22 -0.999 -5.576 8.994 1.00 0.00 C ATOM 322 O LYS A 22 -0.820 -6.792 8.936 1.00 0.00 O ATOM 323 CB LYS A 22 0.660 -3.731 9.315 1.00 0.00 C ATOM 324 CG LYS A 22 2.071 -3.342 8.912 1.00 0.00 C ATOM 325 CD LYS A 22 2.495 -2.034 9.557 1.00 0.00 C ATOM 326 CE LYS A 22 3.115 -2.263 10.927 1.00 0.00 C ATOM 327 NZ LYS A 22 3.491 -0.982 11.587 1.00 0.00 N ATOM 0 H LYS A 22 -0.565 -2.789 7.388 1.00 0.00 H new ATOM 0 HA LYS A 22 0.691 -5.197 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.074 -2.826 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.696 -4.257 10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.764 -4.132 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.128 -3.249 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.212 -1.525 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.630 -1.377 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.410 -2.804 11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.999 -2.892 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.910 -1.181 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.183 -0.477 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.643 -0.392 11.708 1.00 0.00 H new ATOM 341 N ARG A 23 -2.008 -5.024 9.660 1.00 0.00 N ATOM 342 CA ARG A 23 -2.984 -5.835 10.378 1.00 0.00 C ATOM 343 C ARG A 23 -3.261 -7.137 9.634 1.00 0.00 C ATOM 344 O ARG A 23 -3.420 -8.194 10.247 1.00 0.00 O ATOM 345 CB ARG A 23 -4.286 -5.055 10.567 1.00 0.00 C ATOM 346 CG ARG A 23 -5.261 -5.720 11.525 1.00 0.00 C ATOM 347 CD ARG A 23 -6.417 -4.796 11.874 1.00 0.00 C ATOM 348 NE ARG A 23 -6.004 -3.715 12.765 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.701 -3.893 14.046 1.00 0.00 C ATOM 350 NH1 ARG A 23 -5.765 -5.103 14.583 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.334 -2.858 14.792 1.00 0.00 N ATOM 0 H ARG A 23 -2.171 -4.019 9.717 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.569 -6.078 11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.051 -4.057 10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.769 -4.931 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.648 -6.635 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.737 -6.009 12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.832 -4.373 10.959 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.212 -5.373 12.348 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.945 -2.771 12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.047 -5.900 14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.532 -5.237 15.567 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.285 -1.926 14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.101 -2.995 15.776 1.00 0.00 H new ATOM 365 N LEU A 24 -3.320 -7.055 8.309 1.00 0.00 N ATOM 366 CA LEU A 24 -3.579 -8.227 7.481 1.00 0.00 C ATOM 367 C LEU A 24 -2.339 -9.109 7.382 1.00 0.00 C ATOM 368 O LEU A 24 -2.411 -10.322 7.578 1.00 0.00 O ATOM 369 CB LEU A 24 -4.026 -7.798 6.082 1.00 0.00 C ATOM 370 CG LEU A 24 -5.116 -6.727 6.024 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.135 -6.058 4.659 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.475 -7.331 6.344 1.00 0.00 C ATOM 0 H LEU A 24 -3.192 -6.189 7.786 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.376 -8.804 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.154 -7.430 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.383 -8.680 5.550 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.893 -5.968 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.917 -5.299 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.169 -5.590 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.333 -6.805 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.238 -6.554 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.707 -8.111 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.455 -7.761 7.345 1.00 0.00 H new ATOM 384 N ALA A 25 -1.202 -8.492 7.080 1.00 0.00 N ATOM 385 CA ALA A 25 0.055 -9.220 6.960 1.00 0.00 C ATOM 386 C ALA A 25 0.393 -9.949 8.256 1.00 0.00 C ATOM 387 O ALA A 25 1.017 -11.010 8.240 1.00 0.00 O ATOM 388 CB ALA A 25 1.181 -8.271 6.577 1.00 0.00 C ATOM 0 H ALA A 25 -1.125 -7.489 6.914 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.060 -9.966 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.114 -8.829 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.951 -7.800 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.287 -7.504 7.344 1.00 0.00 H new ATOM 394 N THR A 26 -0.023 -9.372 9.380 1.00 0.00 N ATOM 395 CA THR A 26 0.237 -9.966 10.685 1.00 0.00 C ATOM 396 C THR A 26 -0.908 -10.877 11.113 1.00 0.00 C ATOM 397 O THR A 26 -1.315 -10.874 12.275 1.00 0.00 O ATOM 398 CB THR A 26 0.447 -8.884 11.762 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.633 -7.945 11.730 1.00 0.00 O ATOM 400 CG2 THR A 26 1.766 -8.157 11.548 1.00 0.00 C ATOM 0 H THR A 26 -0.541 -8.494 9.412 1.00 0.00 H new ATOM 0 HA THR A 26 1.149 -10.555 10.588 1.00 0.00 H new ATOM 0 HB THR A 26 0.474 -9.372 12.736 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.370 -8.312 11.198 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.893 -7.398 12.320 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.588 -8.871 11.603 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.764 -7.681 10.568 1.00 0.00 H new ATOM 408 N ASP A 27 -1.422 -11.656 10.168 1.00 0.00 N ATOM 409 CA ASP A 27 -2.520 -12.575 10.447 1.00 0.00 C ATOM 410 C ASP A 27 -2.477 -13.775 9.506 1.00 0.00 C ATOM 411 O ASP A 27 -2.727 -13.647 8.308 1.00 0.00 O ATOM 412 CB ASP A 27 -3.862 -11.854 10.315 1.00 0.00 C ATOM 413 CG ASP A 27 -4.998 -12.624 10.960 1.00 0.00 C ATOM 414 OD1 ASP A 27 -4.783 -13.197 12.048 1.00 0.00 O ATOM 415 OD2 ASP A 27 -6.102 -12.654 10.376 1.00 0.00 O ATOM 0 H ASP A 27 -1.096 -11.670 9.202 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.409 -12.935 11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.788 -10.868 10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.085 -11.698 9.260 1.00 0.00 H new ATOM 420 N LYS A 28 -2.158 -14.941 10.057 1.00 0.00 N ATOM 421 CA LYS A 28 -2.083 -16.165 9.268 1.00 0.00 C ATOM 422 C LYS A 28 -3.130 -16.163 8.160 1.00 0.00 C ATOM 423 O LYS A 28 -2.849 -16.555 7.027 1.00 0.00 O ATOM 424 CB LYS A 28 -2.277 -17.388 10.167 1.00 0.00 C ATOM 425 CG LYS A 28 -1.793 -18.685 9.543 1.00 0.00 C ATOM 426 CD LYS A 28 -2.278 -19.895 10.323 1.00 0.00 C ATOM 427 CE LYS A 28 -3.768 -20.126 10.124 1.00 0.00 C ATOM 428 NZ LYS A 28 -4.195 -21.462 10.626 1.00 0.00 N ATOM 0 H LYS A 28 -1.947 -15.064 11.047 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.095 -16.212 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.747 -17.226 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.335 -17.485 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.147 -18.749 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.704 -18.688 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.726 -20.779 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.069 -19.753 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.328 -19.348 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.010 -20.042 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.217 -21.580 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.679 -22.206 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.988 -21.533 11.643 1.00 0.00 H new ATOM 442 N ARG A 29 -4.338 -15.720 8.494 1.00 0.00 N ATOM 443 CA ARG A 29 -5.427 -15.667 7.526 1.00 0.00 C ATOM 444 C ARG A 29 -4.992 -14.941 6.257 1.00 0.00 C ATOM 445 O ARG A 29 -5.208 -15.427 5.146 1.00 0.00 O ATOM 446 CB ARG A 29 -6.645 -14.969 8.134 1.00 0.00 C ATOM 447 CG ARG A 29 -7.368 -15.804 9.178 1.00 0.00 C ATOM 448 CD ARG A 29 -8.635 -15.117 9.662 1.00 0.00 C ATOM 449 NE ARG A 29 -9.504 -16.028 10.402 1.00 0.00 N ATOM 450 CZ ARG A 29 -9.236 -16.465 11.627 1.00 0.00 C ATOM 451 NH1 ARG A 29 -8.131 -16.076 12.247 1.00 0.00 N ATOM 452 NH2 ARG A 29 -10.076 -17.293 12.236 1.00 0.00 N ATOM 0 H ARG A 29 -4.587 -15.393 9.427 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.696 -16.690 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.326 -14.031 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.343 -14.716 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.619 -16.777 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.705 -15.984 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.369 -14.273 10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.177 -14.713 8.807 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.363 -16.346 9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.483 -15.439 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.928 -16.414 13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.928 -17.594 11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.869 -17.628 13.177 1.00 0.00 H new ATOM 466 N PHE A 30 -4.379 -13.775 6.429 1.00 0.00 N ATOM 467 CA PHE A 30 -3.914 -12.981 5.298 1.00 0.00 C ATOM 468 C PHE A 30 -2.391 -12.898 5.280 1.00 0.00 C ATOM 469 O PHE A 30 -1.819 -11.870 4.922 1.00 0.00 O ATOM 470 CB PHE A 30 -4.512 -11.573 5.356 1.00 0.00 C ATOM 471 CG PHE A 30 -6.007 -11.562 5.499 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.806 -12.263 4.610 1.00 0.00 C ATOM 473 CD2 PHE A 30 -6.613 -10.850 6.522 1.00 0.00 C ATOM 474 CE1 PHE A 30 -8.183 -12.255 4.739 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.989 -10.839 6.656 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.774 -11.541 5.762 1.00 0.00 C ATOM 0 H PHE A 30 -4.193 -13.359 7.341 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.244 -13.472 4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.071 -11.034 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.238 -11.033 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.348 -12.822 3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.004 -10.298 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.795 -12.806 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.450 -10.282 7.459 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.849 -11.531 5.863 1.00 0.00 H new ATOM 486 N ASN A 31 -1.741 -13.990 5.669 1.00 0.00 N ATOM 487 CA ASN A 31 -0.283 -14.042 5.699 1.00 0.00 C ATOM 488 C ASN A 31 0.272 -14.521 4.360 1.00 0.00 C ATOM 489 O ASN A 31 1.232 -13.954 3.837 1.00 0.00 O ATOM 490 CB ASN A 31 0.192 -14.967 6.821 1.00 0.00 C ATOM 491 CG ASN A 31 0.338 -14.243 8.145 1.00 0.00 C ATOM 492 OD1 ASN A 31 -0.195 -13.148 8.328 1.00 0.00 O ATOM 493 ND2 ASN A 31 1.065 -14.851 9.075 1.00 0.00 N ATOM 0 H ASN A 31 -2.200 -14.850 5.968 1.00 0.00 H new ATOM 0 HA ASN A 31 0.088 -13.034 5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.516 -15.788 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.150 -15.408 6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.200 -14.411 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.488 -15.758 8.879 1.00 0.00 H new ATOM 500 N ILE A 32 -0.339 -15.565 3.812 1.00 0.00 N ATOM 501 CA ILE A 32 0.092 -16.119 2.535 1.00 0.00 C ATOM 502 C ILE A 32 0.221 -15.027 1.478 1.00 0.00 C ATOM 503 O ILE A 32 0.948 -15.180 0.496 1.00 0.00 O ATOM 504 CB ILE A 32 -0.886 -17.195 2.028 1.00 0.00 C ATOM 505 CG1 ILE A 32 -2.262 -16.580 1.763 1.00 0.00 C ATOM 506 CG2 ILE A 32 -0.992 -18.330 3.035 1.00 0.00 C ATOM 507 CD1 ILE A 32 -3.137 -17.424 0.863 1.00 0.00 C ATOM 0 H ILE A 32 -1.135 -16.045 4.233 1.00 0.00 H new ATOM 0 HA ILE A 32 1.067 -16.577 2.703 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.504 -17.601 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.772 -16.428 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.131 -15.597 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.687 -19.083 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.010 -18.782 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.355 -17.940 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.096 -16.927 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.647 -17.555 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.299 -18.399 1.323 1.00 0.00 H new ATOM 519 N PHE A 33 -0.487 -13.922 1.687 1.00 0.00 N ATOM 520 CA PHE A 33 -0.452 -12.803 0.753 1.00 0.00 C ATOM 521 C PHE A 33 0.753 -11.906 1.024 1.00 0.00 C ATOM 522 O PHE A 33 1.368 -11.378 0.098 1.00 0.00 O ATOM 523 CB PHE A 33 -1.742 -11.986 0.854 1.00 0.00 C ATOM 524 CG PHE A 33 -2.978 -12.775 0.526 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.426 -12.873 -0.782 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.691 -13.417 1.525 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.562 -13.598 -1.088 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.828 -14.144 1.225 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.265 -14.233 -0.083 1.00 0.00 C ATOM 0 H PHE A 33 -1.092 -13.778 2.495 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.364 -13.207 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.832 -11.588 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.676 -11.132 0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.881 -12.377 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.355 -13.349 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.900 -13.668 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.374 -14.642 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.155 -14.798 -0.319 1.00 0.00 H new ATOM 539 N SER A 34 1.084 -11.740 2.301 1.00 0.00 N ATOM 540 CA SER A 34 2.212 -10.904 2.695 1.00 0.00 C ATOM 541 C SER A 34 3.450 -11.238 1.869 1.00 0.00 C ATOM 542 O SER A 34 4.331 -10.399 1.681 1.00 0.00 O ATOM 543 CB SER A 34 2.514 -11.087 4.184 1.00 0.00 C ATOM 544 OG SER A 34 3.350 -10.050 4.666 1.00 0.00 O ATOM 0 H SER A 34 0.587 -12.173 3.080 1.00 0.00 H new ATOM 0 HA SER A 34 1.943 -9.864 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.582 -11.099 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.996 -12.051 4.345 1.00 0.00 H new ATOM 0 HG SER A 34 3.657 -10.271 5.570 1.00 0.00 H new ATOM 550 N LYS A 35 3.511 -12.471 1.378 1.00 0.00 N ATOM 551 CA LYS A 35 4.639 -12.919 0.570 1.00 0.00 C ATOM 552 C LYS A 35 4.203 -13.206 -0.863 1.00 0.00 C ATOM 553 O LYS A 35 3.037 -13.492 -1.137 1.00 0.00 O ATOM 554 CB LYS A 35 5.267 -14.172 1.184 1.00 0.00 C ATOM 555 CG LYS A 35 6.074 -13.895 2.441 1.00 0.00 C ATOM 556 CD LYS A 35 7.383 -13.193 2.119 1.00 0.00 C ATOM 557 CE LYS A 35 8.122 -12.786 3.384 1.00 0.00 C ATOM 558 NZ LYS A 35 7.451 -11.652 4.078 1.00 0.00 N ATOM 0 H LYS A 35 2.791 -13.179 1.526 1.00 0.00 H new ATOM 0 HA LYS A 35 5.380 -12.120 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.478 -14.886 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.913 -14.644 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.488 -13.279 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.280 -14.833 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.014 -13.853 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.184 -12.310 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.184 -13.640 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.144 -12.504 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.061 -11.305 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.277 -10.883 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.545 -11.975 4.475 1.00 0.00 H new ATOM 572 N PRO A 36 5.160 -13.130 -1.800 1.00 0.00 N ATOM 573 CA PRO A 36 4.898 -13.380 -3.221 1.00 0.00 C ATOM 574 C PRO A 36 4.599 -14.848 -3.505 1.00 0.00 C ATOM 575 O PRO A 36 5.510 -15.672 -3.592 1.00 0.00 O ATOM 576 CB PRO A 36 6.202 -12.958 -3.902 1.00 0.00 C ATOM 577 CG PRO A 36 7.246 -13.114 -2.850 1.00 0.00 C ATOM 578 CD PRO A 36 6.570 -12.794 -1.545 1.00 0.00 C ATOM 0 HA PRO A 36 4.022 -12.838 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.417 -13.583 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.148 -11.929 -4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.646 -14.128 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.085 -12.442 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.981 -13.382 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.691 -11.744 -1.277 1.00 0.00 H new ATOM 586 N VAL A 37 3.317 -15.170 -3.649 1.00 0.00 N ATOM 587 CA VAL A 37 2.899 -16.539 -3.926 1.00 0.00 C ATOM 588 C VAL A 37 3.130 -16.899 -5.389 1.00 0.00 C ATOM 589 O VAL A 37 2.215 -17.345 -6.081 1.00 0.00 O ATOM 590 CB VAL A 37 1.411 -16.750 -3.585 1.00 0.00 C ATOM 591 CG1 VAL A 37 1.170 -16.548 -2.097 1.00 0.00 C ATOM 592 CG2 VAL A 37 0.539 -15.814 -4.407 1.00 0.00 C ATOM 0 H VAL A 37 2.550 -14.501 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 37 3.505 -17.189 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 37 1.140 -17.776 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.114 -16.701 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.767 -17.263 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.456 -15.534 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.509 -15.976 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.809 -14.781 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.691 -16.013 -5.468 1.00 0.00 H new ATOM 602 N SER A 38 4.360 -16.704 -5.853 1.00 0.00 N ATOM 603 CA SER A 38 4.712 -17.006 -7.236 1.00 0.00 C ATOM 604 C SER A 38 6.040 -17.753 -7.308 1.00 0.00 C ATOM 605 O SER A 38 6.776 -17.830 -6.324 1.00 0.00 O ATOM 606 CB SER A 38 4.793 -15.718 -8.056 1.00 0.00 C ATOM 607 OG SER A 38 6.018 -15.042 -7.825 1.00 0.00 O ATOM 0 H SER A 38 5.129 -16.338 -5.292 1.00 0.00 H new ATOM 0 HA SER A 38 3.933 -17.645 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.697 -15.952 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.959 -15.065 -7.797 1.00 0.00 H new ATOM 0 HG SER A 38 6.634 -15.218 -8.567 1.00 0.00 H new ATOM 613 N ASP A 39 6.340 -18.303 -8.480 1.00 0.00 N ATOM 614 CA ASP A 39 7.579 -19.043 -8.682 1.00 0.00 C ATOM 615 C ASP A 39 8.713 -18.106 -9.087 1.00 0.00 C ATOM 616 O ASP A 39 9.849 -18.260 -8.640 1.00 0.00 O ATOM 617 CB ASP A 39 7.386 -20.121 -9.751 1.00 0.00 C ATOM 618 CG ASP A 39 8.590 -21.034 -9.877 1.00 0.00 C ATOM 619 OD1 ASP A 39 8.659 -22.030 -9.127 1.00 0.00 O ATOM 620 OD2 ASP A 39 9.462 -20.752 -10.724 1.00 0.00 O ATOM 0 H ASP A 39 5.741 -18.250 -9.304 1.00 0.00 H new ATOM 0 HA ASP A 39 7.845 -19.520 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.506 -20.716 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.193 -19.645 -10.712 1.00 0.00 H new ATOM 625 N TYR A 40 8.395 -17.135 -9.937 1.00 0.00 N ATOM 626 CA TYR A 40 9.388 -16.175 -10.405 1.00 0.00 C ATOM 627 C TYR A 40 8.975 -14.749 -10.052 1.00 0.00 C ATOM 628 O TYR A 40 7.939 -14.528 -9.423 1.00 0.00 O ATOM 629 CB TYR A 40 9.578 -16.303 -11.917 1.00 0.00 C ATOM 630 CG TYR A 40 10.971 -15.948 -12.384 1.00 0.00 C ATOM 631 CD1 TYR A 40 12.092 -16.450 -11.735 1.00 0.00 C ATOM 632 CD2 TYR A 40 11.167 -15.111 -13.476 1.00 0.00 C ATOM 633 CE1 TYR A 40 13.367 -16.127 -12.158 1.00 0.00 C ATOM 634 CE2 TYR A 40 12.438 -14.784 -13.907 1.00 0.00 C ATOM 635 CZ TYR A 40 13.535 -15.295 -13.244 1.00 0.00 C ATOM 636 OH TYR A 40 14.803 -14.972 -13.670 1.00 0.00 O ATOM 0 H TYR A 40 7.459 -16.992 -10.315 1.00 0.00 H new ATOM 0 HA TYR A 40 10.332 -16.395 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.353 -17.326 -12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.859 -15.657 -12.421 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.965 -17.104 -10.885 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.310 -14.709 -13.997 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.228 -16.524 -11.640 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.572 -14.132 -14.758 1.00 0.00 H new ATOM 0 HH TYR A 40 14.746 -14.378 -14.447 1.00 0.00 H new ATOM 646 N LEU A 41 9.793 -13.785 -10.460 1.00 0.00 N ATOM 647 CA LEU A 41 9.514 -12.379 -10.189 1.00 0.00 C ATOM 648 C LEU A 41 9.299 -11.606 -11.486 1.00 0.00 C ATOM 649 O LEU A 41 8.891 -10.446 -11.467 1.00 0.00 O ATOM 650 CB LEU A 41 10.663 -11.756 -9.394 1.00 0.00 C ATOM 651 CG LEU A 41 11.904 -11.369 -10.200 1.00 0.00 C ATOM 652 CD1 LEU A 41 12.373 -12.538 -11.052 1.00 0.00 C ATOM 653 CD2 LEU A 41 11.617 -10.154 -11.071 1.00 0.00 C ATOM 0 H LEU A 41 10.655 -13.951 -10.980 1.00 0.00 H new ATOM 0 HA LEU A 41 8.599 -12.322 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.289 -10.865 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.964 -12.459 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 41 12.701 -11.111 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.257 -12.244 -11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.619 -13.382 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.580 -12.827 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.511 -9.893 -11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.805 -10.384 -11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.329 -9.313 -10.440 1.00 0.00 H new ATOM 665 N GLU A 42 9.575 -12.259 -12.611 1.00 0.00 N ATOM 666 CA GLU A 42 9.410 -11.632 -13.917 1.00 0.00 C ATOM 667 C GLU A 42 8.131 -12.116 -14.595 1.00 0.00 C ATOM 668 O GLU A 42 7.456 -11.354 -15.287 1.00 0.00 O ATOM 669 CB GLU A 42 10.618 -11.933 -14.807 1.00 0.00 C ATOM 670 CG GLU A 42 10.297 -11.920 -16.293 1.00 0.00 C ATOM 671 CD GLU A 42 10.035 -10.523 -16.821 1.00 0.00 C ATOM 672 OE1 GLU A 42 8.981 -9.947 -16.478 1.00 0.00 O ATOM 673 OE2 GLU A 42 10.884 -10.005 -17.577 1.00 0.00 O ATOM 0 H GLU A 42 9.913 -13.221 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 42 9.336 -10.555 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.399 -11.199 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.022 -12.910 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.127 -12.363 -16.844 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.423 -12.544 -16.477 1.00 0.00 H new ATOM 680 N VAL A 43 7.805 -13.389 -14.391 1.00 0.00 N ATOM 681 CA VAL A 43 6.608 -13.975 -14.981 1.00 0.00 C ATOM 682 C VAL A 43 5.370 -13.152 -14.644 1.00 0.00 C ATOM 683 O VAL A 43 4.322 -13.303 -15.274 1.00 0.00 O ATOM 684 CB VAL A 43 6.396 -15.423 -14.499 1.00 0.00 C ATOM 685 CG1 VAL A 43 5.955 -15.442 -13.044 1.00 0.00 C ATOM 686 CG2 VAL A 43 5.382 -16.134 -15.382 1.00 0.00 C ATOM 0 H VAL A 43 8.353 -14.034 -13.822 1.00 0.00 H new ATOM 0 HA VAL A 43 6.756 -13.978 -16.061 1.00 0.00 H new ATOM 0 HB VAL A 43 7.344 -15.955 -14.573 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.810 -16.473 -12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.720 -14.972 -12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.018 -14.894 -12.941 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.244 -17.156 -15.028 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.430 -15.604 -15.342 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.744 -16.152 -16.410 1.00 0.00 H new ATOM 696 N ILE A 44 5.497 -12.283 -13.647 1.00 0.00 N ATOM 697 CA ILE A 44 4.388 -11.435 -13.227 1.00 0.00 C ATOM 698 C ILE A 44 4.418 -10.093 -13.950 1.00 0.00 C ATOM 699 O ILE A 44 5.427 -9.387 -13.931 1.00 0.00 O ATOM 700 CB ILE A 44 4.412 -11.188 -11.707 1.00 0.00 C ATOM 701 CG1 ILE A 44 4.483 -12.518 -10.954 1.00 0.00 C ATOM 702 CG2 ILE A 44 3.187 -10.395 -11.280 1.00 0.00 C ATOM 703 CD1 ILE A 44 5.187 -12.419 -9.619 1.00 0.00 C ATOM 0 H ILE A 44 6.357 -12.148 -13.115 1.00 0.00 H new ATOM 0 HA ILE A 44 3.471 -11.964 -13.486 1.00 0.00 H new ATOM 0 HB ILE A 44 5.300 -10.606 -11.462 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.471 -12.891 -10.795 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.999 -13.251 -11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.218 -10.229 -10.203 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.177 -9.435 -11.796 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.286 -10.953 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.200 -13.399 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.210 -12.076 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.659 -11.711 -8.981 1.00 0.00 H new ATOM 715 N LYS A 45 3.305 -9.744 -14.585 1.00 0.00 N ATOM 716 CA LYS A 45 3.201 -8.484 -15.312 1.00 0.00 C ATOM 717 C LYS A 45 3.041 -7.312 -14.349 1.00 0.00 C ATOM 718 O LYS A 45 3.859 -6.393 -14.336 1.00 0.00 O ATOM 719 CB LYS A 45 2.017 -8.527 -16.281 1.00 0.00 C ATOM 720 CG LYS A 45 2.279 -9.358 -17.525 1.00 0.00 C ATOM 721 CD LYS A 45 2.050 -10.838 -17.266 1.00 0.00 C ATOM 722 CE LYS A 45 2.624 -11.695 -18.383 1.00 0.00 C ATOM 723 NZ LYS A 45 4.088 -11.914 -18.218 1.00 0.00 N ATOM 0 H LYS A 45 2.461 -10.316 -14.611 1.00 0.00 H new ATOM 0 HA LYS A 45 4.121 -8.343 -15.878 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.148 -8.930 -15.762 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.766 -7.509 -16.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.626 -9.024 -18.331 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.304 -9.201 -17.859 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.510 -11.118 -16.318 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.981 -11.031 -17.171 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.113 -12.657 -18.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.435 -11.215 -19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.429 -12.558 -18.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.586 -11.004 -18.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.273 -12.334 -17.285 1.00 0.00 H new ATOM 737 N GLU A 46 1.984 -7.352 -13.545 1.00 0.00 N ATOM 738 CA GLU A 46 1.719 -6.293 -12.579 1.00 0.00 C ATOM 739 C GLU A 46 1.834 -6.818 -11.150 1.00 0.00 C ATOM 740 O GLU A 46 0.840 -7.129 -10.494 1.00 0.00 O ATOM 741 CB GLU A 46 0.326 -5.702 -12.805 1.00 0.00 C ATOM 742 CG GLU A 46 0.210 -4.892 -14.086 1.00 0.00 C ATOM 743 CD GLU A 46 1.161 -3.712 -14.118 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.382 -3.938 -14.258 1.00 0.00 O ATOM 745 OE2 GLU A 46 0.687 -2.563 -14.003 1.00 0.00 O ATOM 0 H GLU A 46 1.297 -8.106 -13.543 1.00 0.00 H new ATOM 0 HA GLU A 46 2.465 -5.512 -12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.404 -6.511 -12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.068 -5.066 -11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.411 -5.539 -14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.813 -4.532 -14.192 1.00 0.00 H new ATOM 752 N PRO A 47 3.077 -6.920 -10.656 1.00 0.00 N ATOM 753 CA PRO A 47 3.353 -7.407 -9.302 1.00 0.00 C ATOM 754 C PRO A 47 2.902 -6.422 -8.229 1.00 0.00 C ATOM 755 O PRO A 47 3.109 -5.215 -8.354 1.00 0.00 O ATOM 756 CB PRO A 47 4.876 -7.558 -9.283 1.00 0.00 C ATOM 757 CG PRO A 47 5.365 -6.600 -10.313 1.00 0.00 C ATOM 758 CD PRO A 47 4.309 -6.567 -11.382 1.00 0.00 C ATOM 0 HA PRO A 47 2.817 -8.330 -9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.285 -7.325 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.175 -8.579 -9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.517 -5.610 -9.884 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.323 -6.921 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.235 -5.582 -11.844 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.523 -7.278 -12.180 1.00 0.00 H new ATOM 766 N MET A 48 2.286 -6.944 -7.174 1.00 0.00 N ATOM 767 CA MET A 48 1.807 -6.110 -6.078 1.00 0.00 C ATOM 768 C MET A 48 1.328 -6.967 -4.911 1.00 0.00 C ATOM 769 O MET A 48 0.453 -7.818 -5.072 1.00 0.00 O ATOM 770 CB MET A 48 0.674 -5.201 -6.557 1.00 0.00 C ATOM 771 CG MET A 48 0.147 -4.266 -5.481 1.00 0.00 C ATOM 772 SD MET A 48 1.278 -2.907 -5.127 1.00 0.00 S ATOM 773 CE MET A 48 1.306 -2.070 -6.710 1.00 0.00 C ATOM 0 H MET A 48 2.107 -7.941 -7.055 1.00 0.00 H new ATOM 0 HA MET A 48 2.638 -5.493 -5.735 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.027 -4.608 -7.400 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.146 -5.819 -6.923 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.814 -3.861 -5.796 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.031 -4.833 -4.567 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.249 -0.993 -6.553 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.231 -2.312 -7.233 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.455 -2.395 -7.309 1.00 0.00 H new ATOM 783 N ASP A 49 1.906 -6.737 -3.737 1.00 0.00 N ATOM 784 CA ASP A 49 1.537 -7.489 -2.543 1.00 0.00 C ATOM 785 C ASP A 49 1.648 -6.616 -1.296 1.00 0.00 C ATOM 786 O ASP A 49 2.356 -5.609 -1.291 1.00 0.00 O ATOM 787 CB ASP A 49 2.427 -8.724 -2.396 1.00 0.00 C ATOM 788 CG ASP A 49 2.590 -9.478 -3.701 1.00 0.00 C ATOM 789 OD1 ASP A 49 1.564 -9.888 -4.282 1.00 0.00 O ATOM 790 OD2 ASP A 49 3.745 -9.658 -4.142 1.00 0.00 O ATOM 0 H ASP A 49 2.632 -6.036 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 49 0.501 -7.809 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.408 -8.420 -2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.999 -9.389 -1.646 1.00 0.00 H new ATOM 795 N LEU A 50 0.942 -7.009 -0.241 1.00 0.00 N ATOM 796 CA LEU A 50 0.960 -6.262 1.012 1.00 0.00 C ATOM 797 C LEU A 50 2.330 -5.636 1.254 1.00 0.00 C ATOM 798 O LEU A 50 2.436 -4.450 1.566 1.00 0.00 O ATOM 799 CB LEU A 50 0.592 -7.179 2.180 1.00 0.00 C ATOM 800 CG LEU A 50 -0.819 -7.766 2.153 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.934 -8.923 3.134 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.850 -6.693 2.469 1.00 0.00 C ATOM 0 H LEU A 50 0.351 -7.840 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 50 0.224 -5.462 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.306 -8.002 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.714 -6.619 3.107 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.015 -8.145 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.945 -9.329 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.222 -9.702 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.718 -8.568 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.848 -7.130 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.657 -6.283 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.785 -5.896 1.728 1.00 0.00 H new ATOM 814 N SER A 51 3.377 -6.442 1.105 1.00 0.00 N ATOM 815 CA SER A 51 4.741 -5.968 1.309 1.00 0.00 C ATOM 816 C SER A 51 4.988 -4.675 0.536 1.00 0.00 C ATOM 817 O SER A 51 5.124 -3.602 1.124 1.00 0.00 O ATOM 818 CB SER A 51 5.745 -7.036 0.872 1.00 0.00 C ATOM 819 OG SER A 51 6.956 -6.926 1.601 1.00 0.00 O ATOM 0 H SER A 51 3.307 -7.426 0.844 1.00 0.00 H new ATOM 0 HA SER A 51 4.875 -5.767 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.315 -8.027 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.948 -6.934 -0.194 1.00 0.00 H new ATOM 0 HG SER A 51 7.581 -7.621 1.305 1.00 0.00 H new ATOM 825 N THR A 52 5.045 -4.786 -0.787 1.00 0.00 N ATOM 826 CA THR A 52 5.277 -3.629 -1.642 1.00 0.00 C ATOM 827 C THR A 52 4.340 -2.482 -1.280 1.00 0.00 C ATOM 828 O THR A 52 4.764 -1.331 -1.172 1.00 0.00 O ATOM 829 CB THR A 52 5.087 -3.981 -3.129 1.00 0.00 C ATOM 830 OG1 THR A 52 6.212 -4.729 -3.603 1.00 0.00 O ATOM 831 CG2 THR A 52 4.919 -2.723 -3.967 1.00 0.00 C ATOM 0 H THR A 52 4.934 -5.666 -1.290 1.00 0.00 H new ATOM 0 HA THR A 52 6.309 -3.318 -1.479 1.00 0.00 H new ATOM 0 HB THR A 52 4.184 -4.584 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.083 -4.950 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.786 -2.998 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.044 -2.171 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.806 -2.097 -3.866 1.00 0.00 H new ATOM 839 N VAL A 53 3.064 -2.802 -1.093 1.00 0.00 N ATOM 840 CA VAL A 53 2.067 -1.798 -0.740 1.00 0.00 C ATOM 841 C VAL A 53 2.566 -0.900 0.385 1.00 0.00 C ATOM 842 O VAL A 53 2.519 0.327 0.281 1.00 0.00 O ATOM 843 CB VAL A 53 0.740 -2.452 -0.311 1.00 0.00 C ATOM 844 CG1 VAL A 53 -0.245 -1.396 0.169 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.150 -3.262 -1.455 1.00 0.00 C ATOM 0 H VAL A 53 2.696 -3.749 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 53 1.895 -1.195 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 53 0.941 -3.131 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.177 -1.877 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.178 -0.864 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.443 -0.690 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.787 -3.717 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.038 -2.607 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.851 -4.044 -1.747 1.00 0.00 H new ATOM 855 N ILE A 54 3.044 -1.517 1.460 1.00 0.00 N ATOM 856 CA ILE A 54 3.554 -0.772 2.605 1.00 0.00 C ATOM 857 C ILE A 54 4.567 0.280 2.169 1.00 0.00 C ATOM 858 O ILE A 54 4.411 1.467 2.459 1.00 0.00 O ATOM 859 CB ILE A 54 4.213 -1.707 3.636 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.201 -2.736 4.144 1.00 0.00 C ATOM 861 CG2 ILE A 54 4.783 -0.901 4.793 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.841 -3.941 4.798 1.00 0.00 C ATOM 0 H ILE A 54 3.089 -2.531 1.562 1.00 0.00 H new ATOM 0 HA ILE A 54 2.699 -0.279 3.068 1.00 0.00 H new ATOM 0 HB ILE A 54 5.031 -2.239 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.534 -2.255 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.585 -3.070 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.245 -1.576 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.531 -0.204 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.981 -0.345 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.064 -4.628 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.486 -4.446 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.435 -3.618 5.653 1.00 0.00 H new ATOM 874 N THR A 55 5.607 -0.161 1.468 1.00 0.00 N ATOM 875 CA THR A 55 6.646 0.742 0.990 1.00 0.00 C ATOM 876 C THR A 55 6.042 2.012 0.400 1.00 0.00 C ATOM 877 O THR A 55 6.332 3.119 0.855 1.00 0.00 O ATOM 878 CB THR A 55 7.532 0.067 -0.073 1.00 0.00 C ATOM 879 OG1 THR A 55 8.237 -1.037 0.506 1.00 0.00 O ATOM 880 CG2 THR A 55 8.527 1.059 -0.658 1.00 0.00 C ATOM 0 H THR A 55 5.752 -1.139 1.219 1.00 0.00 H new ATOM 0 HA THR A 55 7.260 1.001 1.852 1.00 0.00 H new ATOM 0 HB THR A 55 6.888 -0.294 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.797 -1.462 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.142 0.559 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.988 1.884 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.165 1.445 0.137 1.00 0.00 H new ATOM 888 N LYS A 56 5.200 1.845 -0.614 1.00 0.00 N ATOM 889 CA LYS A 56 4.553 2.978 -1.266 1.00 0.00 C ATOM 890 C LYS A 56 4.044 3.980 -0.235 1.00 0.00 C ATOM 891 O LYS A 56 4.365 5.167 -0.300 1.00 0.00 O ATOM 892 CB LYS A 56 3.393 2.495 -2.140 1.00 0.00 C ATOM 893 CG LYS A 56 3.801 1.459 -3.174 1.00 0.00 C ATOM 894 CD LYS A 56 2.642 1.098 -4.088 1.00 0.00 C ATOM 895 CE LYS A 56 2.558 2.039 -5.280 1.00 0.00 C ATOM 896 NZ LYS A 56 1.971 3.356 -4.906 1.00 0.00 N ATOM 0 H LYS A 56 4.949 0.936 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 56 5.292 3.474 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.619 2.072 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.952 3.351 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.629 1.844 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.161 0.562 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.760 0.073 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.709 1.136 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.555 2.190 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.953 1.581 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.470 3.758 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.303 3.227 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.730 4.004 -4.613 1.00 0.00 H new ATOM 910 N ILE A 57 3.251 3.495 0.714 1.00 0.00 N ATOM 911 CA ILE A 57 2.700 4.349 1.759 1.00 0.00 C ATOM 912 C ILE A 57 3.797 5.161 2.440 1.00 0.00 C ATOM 913 O ILE A 57 3.580 6.307 2.835 1.00 0.00 O ATOM 914 CB ILE A 57 1.952 3.525 2.823 1.00 0.00 C ATOM 915 CG1 ILE A 57 0.856 2.681 2.169 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.360 4.441 3.883 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.577 1.384 2.896 1.00 0.00 C ATOM 0 H ILE A 57 2.976 2.515 0.781 1.00 0.00 H new ATOM 0 HA ILE A 57 1.996 5.026 1.275 1.00 0.00 H new ATOM 0 HB ILE A 57 2.662 2.854 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.062 3.266 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.145 2.458 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.834 3.843 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.160 5.002 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.661 5.135 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.210 0.838 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.483 0.779 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.257 1.600 3.915 1.00 0.00 H new ATOM 929 N ASP A 58 4.975 4.561 2.572 1.00 0.00 N ATOM 930 CA ASP A 58 6.107 5.229 3.202 1.00 0.00 C ATOM 931 C ASP A 58 6.818 6.145 2.210 1.00 0.00 C ATOM 932 O ASP A 58 7.441 7.134 2.598 1.00 0.00 O ATOM 933 CB ASP A 58 7.090 4.198 3.759 1.00 0.00 C ATOM 934 CG ASP A 58 6.785 3.825 5.196 1.00 0.00 C ATOM 935 OD1 ASP A 58 5.767 4.310 5.731 1.00 0.00 O ATOM 936 OD2 ASP A 58 7.565 3.047 5.785 1.00 0.00 O ATOM 0 H ASP A 58 5.170 3.613 2.251 1.00 0.00 H new ATOM 0 HA ASP A 58 5.727 5.837 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.061 3.301 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.103 4.596 3.697 1.00 0.00 H new ATOM 941 N LYS A 59 6.722 5.809 0.929 1.00 0.00 N ATOM 942 CA LYS A 59 7.355 6.600 -0.120 1.00 0.00 C ATOM 943 C LYS A 59 6.431 7.719 -0.590 1.00 0.00 C ATOM 944 O LYS A 59 6.386 8.042 -1.778 1.00 0.00 O ATOM 945 CB LYS A 59 7.734 5.706 -1.303 1.00 0.00 C ATOM 946 CG LYS A 59 8.630 4.540 -0.922 1.00 0.00 C ATOM 947 CD LYS A 59 10.088 4.960 -0.842 1.00 0.00 C ATOM 948 CE LYS A 59 10.970 3.822 -0.353 1.00 0.00 C ATOM 949 NZ LYS A 59 11.464 2.979 -1.477 1.00 0.00 N ATOM 0 H LYS A 59 6.211 4.993 0.591 1.00 0.00 H new ATOM 0 HA LYS A 59 8.259 7.048 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.824 5.319 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.239 6.310 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.314 4.136 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.520 3.741 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.427 5.288 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.186 5.812 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.819 4.231 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.408 3.202 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.061 2.215 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.655 2.568 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.022 3.565 -2.131 1.00 0.00 H new ATOM 963 N HIS A 60 5.697 8.308 0.348 1.00 0.00 N ATOM 964 CA HIS A 60 4.776 9.393 0.029 1.00 0.00 C ATOM 965 C HIS A 60 4.124 9.170 -1.332 1.00 0.00 C ATOM 966 O HIS A 60 3.999 10.097 -2.130 1.00 0.00 O ATOM 967 CB HIS A 60 5.510 10.734 0.043 1.00 0.00 C ATOM 968 CG HIS A 60 6.417 10.908 1.221 1.00 0.00 C ATOM 969 ND1 HIS A 60 7.634 11.553 1.146 1.00 0.00 N ATOM 970 CD2 HIS A 60 6.279 10.520 2.511 1.00 0.00 C ATOM 971 CE1 HIS A 60 8.205 11.551 2.337 1.00 0.00 C ATOM 972 NE2 HIS A 60 7.403 10.931 3.183 1.00 0.00 N ATOM 0 H HIS A 60 5.722 8.052 1.335 1.00 0.00 H new ATOM 0 HA HIS A 60 3.994 9.408 0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.095 10.828 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.777 11.540 0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.440 9.986 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.165 11.983 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.589 10.782 4.175 1.00 0.00 H new ATOM 981 N ASN A 61 3.711 7.933 -1.590 1.00 0.00 N ATOM 982 CA ASN A 61 3.074 7.588 -2.855 1.00 0.00 C ATOM 983 C ASN A 61 1.564 7.793 -2.777 1.00 0.00 C ATOM 984 O ASN A 61 0.994 8.580 -3.533 1.00 0.00 O ATOM 985 CB ASN A 61 3.384 6.137 -3.228 1.00 0.00 C ATOM 986 CG ASN A 61 4.652 6.010 -4.051 1.00 0.00 C ATOM 987 OD1 ASN A 61 5.624 5.389 -3.622 1.00 0.00 O ATOM 988 ND2 ASN A 61 4.645 6.599 -5.241 1.00 0.00 N ATOM 0 H ASN A 61 3.806 7.153 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 61 3.474 8.247 -3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.483 5.544 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.547 5.722 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.469 6.547 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.816 7.103 -5.556 1.00 0.00 H new ATOM 995 N TYR A 62 0.923 7.079 -1.858 1.00 0.00 N ATOM 996 CA TYR A 62 -0.521 7.181 -1.682 1.00 0.00 C ATOM 997 C TYR A 62 -0.894 8.484 -0.982 1.00 0.00 C ATOM 998 O TYR A 62 -0.318 8.836 0.048 1.00 0.00 O ATOM 999 CB TYR A 62 -1.043 5.989 -0.878 1.00 0.00 C ATOM 1000 CG TYR A 62 -0.905 4.666 -1.596 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.324 4.520 -2.913 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.353 3.561 -0.959 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -1.201 3.313 -3.573 1.00 0.00 C ATOM 1004 CE2 TYR A 62 -0.224 2.351 -1.612 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.649 2.231 -2.918 1.00 0.00 C ATOM 1006 OH TYR A 62 -0.523 1.028 -3.573 1.00 0.00 O ATOM 0 H TYR A 62 1.380 6.424 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.983 7.175 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.505 5.937 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.093 6.155 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.754 5.366 -3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.019 3.650 0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.535 3.217 -4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.208 1.503 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.742 0.297 -2.959 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.863 9.195 -1.548 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.315 10.460 -0.980 1.00 0.00 C ATOM 1018 C LEU A 63 -3.788 10.385 -0.588 1.00 0.00 C ATOM 1019 O LEU A 63 -4.227 11.051 0.350 1.00 0.00 O ATOM 1020 CB LEU A 63 -2.099 11.598 -1.979 1.00 0.00 C ATOM 1021 CG LEU A 63 -2.387 11.268 -3.444 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -3.887 11.198 -3.690 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -1.742 12.298 -4.360 1.00 0.00 C ATOM 0 H LEU A 63 -2.351 8.917 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.728 10.657 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.730 12.437 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.065 11.933 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.956 10.292 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.073 10.962 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.323 10.422 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.341 12.159 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.958 12.047 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.142 13.286 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.663 12.299 -4.203 1.00 0.00 H new ATOM 1035 N THR A 64 -4.547 9.568 -1.312 1.00 0.00 N ATOM 1036 CA THR A 64 -5.969 9.405 -1.040 1.00 0.00 C ATOM 1037 C THR A 64 -6.310 7.948 -0.751 1.00 0.00 C ATOM 1038 O THR A 64 -5.793 7.039 -1.401 1.00 0.00 O ATOM 1039 CB THR A 64 -6.827 9.897 -2.221 1.00 0.00 C ATOM 1040 OG1 THR A 64 -6.199 9.549 -3.461 1.00 0.00 O ATOM 1041 CG2 THR A 64 -7.029 11.403 -2.154 1.00 0.00 C ATOM 0 H THR A 64 -4.200 9.009 -2.091 1.00 0.00 H new ATOM 0 HA THR A 64 -6.194 10.009 -0.161 1.00 0.00 H new ATOM 0 HB THR A 64 -7.802 9.413 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.776 8.932 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.638 11.726 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.533 11.661 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.061 11.902 -2.193 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.183 7.732 0.228 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.594 6.384 0.601 1.00 0.00 C ATOM 1051 C ALA A 65 -8.172 5.636 -0.596 1.00 0.00 C ATOM 1052 O ALA A 65 -7.893 4.453 -0.796 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.609 6.437 1.733 1.00 0.00 C ATOM 0 H ALA A 65 -7.619 8.473 0.777 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.712 5.843 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.908 5.424 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.163 6.926 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.485 7.000 1.410 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.979 6.331 -1.390 1.00 0.00 N ATOM 1060 CA LYS A 66 -9.596 5.734 -2.568 1.00 0.00 C ATOM 1061 C LYS A 66 -8.545 5.085 -3.463 1.00 0.00 C ATOM 1062 O LYS A 66 -8.748 3.986 -3.979 1.00 0.00 O ATOM 1063 CB LYS A 66 -10.369 6.793 -3.357 1.00 0.00 C ATOM 1064 CG LYS A 66 -11.622 7.283 -2.651 1.00 0.00 C ATOM 1065 CD LYS A 66 -12.732 6.247 -2.702 1.00 0.00 C ATOM 1066 CE LYS A 66 -13.525 6.343 -3.996 1.00 0.00 C ATOM 1067 NZ LYS A 66 -14.504 7.465 -3.965 1.00 0.00 N ATOM 0 H LYS A 66 -9.221 7.310 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.289 4.962 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.713 7.643 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.646 6.381 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.388 7.516 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.964 8.208 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.304 5.249 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.401 6.387 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.840 6.482 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.053 5.405 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.036 7.486 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.163 7.329 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.997 8.365 -3.843 1.00 0.00 H new ATOM 1081 N ASP A 67 -7.421 5.771 -3.641 1.00 0.00 N ATOM 1082 CA ASP A 67 -6.337 5.260 -4.472 1.00 0.00 C ATOM 1083 C ASP A 67 -5.774 3.965 -3.895 1.00 0.00 C ATOM 1084 O ASP A 67 -5.585 2.983 -4.613 1.00 0.00 O ATOM 1085 CB ASP A 67 -5.225 6.304 -4.595 1.00 0.00 C ATOM 1086 CG ASP A 67 -5.513 7.331 -5.672 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -6.665 7.806 -5.747 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -4.585 7.660 -6.440 1.00 0.00 O ATOM 0 H ASP A 67 -7.237 6.682 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.740 5.050 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.099 6.811 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.283 5.803 -4.817 1.00 0.00 H new ATOM 1093 N PHE A 68 -5.507 3.970 -2.593 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.964 2.797 -1.919 1.00 0.00 C ATOM 1095 C PHE A 68 -5.841 1.573 -2.166 1.00 0.00 C ATOM 1096 O PHE A 68 -5.404 0.593 -2.771 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.842 3.056 -0.416 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.643 1.806 0.393 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.374 1.284 0.586 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.725 1.154 0.962 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.188 0.135 1.331 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.545 0.005 1.708 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.275 -0.506 1.891 1.00 0.00 C ATOM 0 H PHE A 68 -5.658 4.774 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.973 2.601 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.005 3.731 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.741 3.565 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.520 1.781 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.720 1.548 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.194 -0.261 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.397 -0.493 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.132 -1.406 2.471 1.00 0.00 H new ATOM 1113 N LEU A 69 -7.081 1.636 -1.694 1.00 0.00 N ATOM 1114 CA LEU A 69 -8.021 0.534 -1.862 1.00 0.00 C ATOM 1115 C LEU A 69 -7.847 -0.126 -3.226 1.00 0.00 C ATOM 1116 O LEU A 69 -7.655 -1.339 -3.321 1.00 0.00 O ATOM 1117 CB LEU A 69 -9.458 1.034 -1.704 1.00 0.00 C ATOM 1118 CG LEU A 69 -10.029 0.999 -0.286 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -11.309 1.817 -0.206 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -10.284 -0.437 0.150 1.00 0.00 C ATOM 0 H LEU A 69 -7.459 2.439 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.815 -0.208 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.506 2.060 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.102 0.436 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.297 1.440 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.701 1.781 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.097 2.851 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.047 1.406 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.690 -0.443 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.997 -0.903 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.348 -0.995 0.132 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.915 0.679 -4.280 1.00 0.00 N ATOM 1133 CA LYS A 70 -7.761 0.175 -5.640 1.00 0.00 C ATOM 1134 C LYS A 70 -6.609 -0.820 -5.725 1.00 0.00 C ATOM 1135 O LYS A 70 -6.739 -1.885 -6.330 1.00 0.00 O ATOM 1136 CB LYS A 70 -7.522 1.333 -6.611 1.00 0.00 C ATOM 1137 CG LYS A 70 -8.772 2.140 -6.917 1.00 0.00 C ATOM 1138 CD LYS A 70 -8.429 3.504 -7.492 1.00 0.00 C ATOM 1139 CE LYS A 70 -8.304 3.455 -9.007 1.00 0.00 C ATOM 1140 NZ LYS A 70 -7.085 2.717 -9.439 1.00 0.00 N ATOM 0 H LYS A 70 -8.076 1.684 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.682 -0.339 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.765 1.996 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.119 0.937 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.395 1.593 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.357 2.265 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.200 4.222 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.493 3.857 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.187 2.976 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.273 4.470 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.758 3.091 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.336 2.838 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.308 1.706 -9.539 1.00 0.00 H new ATOM 1154 N ASP A 71 -5.483 -0.468 -5.114 1.00 0.00 N ATOM 1155 CA ASP A 71 -4.308 -1.332 -5.118 1.00 0.00 C ATOM 1156 C ASP A 71 -4.595 -2.643 -4.393 1.00 0.00 C ATOM 1157 O ASP A 71 -4.119 -3.704 -4.797 1.00 0.00 O ATOM 1158 CB ASP A 71 -3.124 -0.621 -4.462 1.00 0.00 C ATOM 1159 CG ASP A 71 -2.710 0.629 -5.214 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -1.902 0.513 -6.160 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -3.195 1.723 -4.858 1.00 0.00 O ATOM 0 H ASP A 71 -5.359 0.410 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.057 -1.558 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.386 -0.355 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.278 -1.306 -4.407 1.00 0.00 H new ATOM 1166 N ILE A 72 -5.376 -2.562 -3.321 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.726 -3.742 -2.540 1.00 0.00 C ATOM 1168 C ILE A 72 -6.499 -4.750 -3.383 1.00 0.00 C ATOM 1169 O ILE A 72 -6.352 -5.960 -3.213 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.567 -3.370 -1.305 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.757 -2.484 -0.356 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -7.041 -4.626 -0.589 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -4.556 -3.181 0.244 1.00 0.00 C ATOM 0 H ILE A 72 -5.778 -1.692 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.789 -4.191 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.442 -2.811 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.421 -1.599 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.406 -2.139 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.634 -4.347 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.651 -5.223 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.178 -5.209 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.029 -2.493 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.886 -4.050 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.886 -3.502 -0.553 1.00 0.00 H new ATOM 1185 N ASP A 73 -7.322 -4.242 -4.294 1.00 0.00 N ATOM 1186 CA ASP A 73 -8.117 -5.098 -5.167 1.00 0.00 C ATOM 1187 C ASP A 73 -7.224 -5.860 -6.141 1.00 0.00 C ATOM 1188 O ASP A 73 -7.478 -7.025 -6.451 1.00 0.00 O ATOM 1189 CB ASP A 73 -9.140 -4.264 -5.940 1.00 0.00 C ATOM 1190 CG ASP A 73 -9.872 -5.075 -6.992 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -10.718 -5.911 -6.613 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -9.599 -4.873 -8.194 1.00 0.00 O ATOM 0 H ASP A 73 -7.456 -3.242 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.644 -5.821 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.863 -3.843 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.634 -3.426 -6.419 1.00 0.00 H new ATOM 1197 N LEU A 74 -6.179 -5.196 -6.621 1.00 0.00 N ATOM 1198 CA LEU A 74 -5.247 -5.811 -7.560 1.00 0.00 C ATOM 1199 C LEU A 74 -4.654 -7.091 -6.980 1.00 0.00 C ATOM 1200 O LEU A 74 -4.587 -8.118 -7.657 1.00 0.00 O ATOM 1201 CB LEU A 74 -4.128 -4.831 -7.915 1.00 0.00 C ATOM 1202 CG LEU A 74 -3.042 -5.362 -8.851 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.583 -5.515 -10.264 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -1.830 -4.441 -8.839 1.00 0.00 C ATOM 0 H LEU A 74 -5.955 -4.232 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.798 -6.066 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.576 -3.950 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.654 -4.502 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.731 -6.344 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.796 -5.894 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.419 -6.215 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.923 -4.546 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.067 -4.835 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.126 -3.446 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.428 -4.382 -7.828 1.00 0.00 H new ATOM 1216 N ILE A 75 -4.226 -7.022 -5.724 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.641 -8.176 -5.053 1.00 0.00 C ATOM 1218 C ILE A 75 -4.511 -9.415 -5.232 1.00 0.00 C ATOM 1219 O ILE A 75 -4.010 -10.500 -5.530 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.446 -7.912 -3.548 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.489 -6.738 -3.333 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.924 -9.162 -2.855 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -2.419 -6.270 -1.896 1.00 0.00 C ATOM 0 H ILE A 75 -4.273 -6.180 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.668 -8.349 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.411 -7.654 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.491 -7.029 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.801 -5.905 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.791 -8.960 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.639 -9.975 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.967 -9.448 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.722 -5.436 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.408 -5.948 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.077 -7.089 -1.263 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.816 -9.247 -5.050 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.757 -10.352 -5.192 1.00 0.00 C ATOM 1237 C CYS A 76 -6.594 -11.034 -6.546 1.00 0.00 C ATOM 1238 O CYS A 76 -6.323 -12.233 -6.620 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.193 -9.850 -5.030 1.00 0.00 C ATOM 1240 SG CYS A 76 -9.455 -11.088 -5.413 1.00 0.00 S ATOM 0 H CYS A 76 -6.247 -8.356 -4.804 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.544 -11.081 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.334 -9.508 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.339 -8.985 -5.677 1.00 0.00 H new ATOM 0 HG CYS A 76 -10.636 -10.571 -5.245 1.00 0.00 H new ATOM 1246 N SER A 77 -6.762 -10.263 -7.616 1.00 0.00 N ATOM 1247 CA SER A 77 -6.638 -10.794 -8.968 1.00 0.00 C ATOM 1248 C SER A 77 -5.256 -11.402 -9.189 1.00 0.00 C ATOM 1249 O SER A 77 -5.126 -12.482 -9.763 1.00 0.00 O ATOM 1250 CB SER A 77 -6.893 -9.692 -9.997 1.00 0.00 C ATOM 1251 OG SER A 77 -6.149 -8.525 -9.689 1.00 0.00 O ATOM 0 H SER A 77 -6.984 -9.268 -7.572 1.00 0.00 H new ATOM 0 HA SER A 77 -7.385 -11.578 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.622 -10.048 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.956 -9.453 -10.023 1.00 0.00 H new ATOM 0 HG SER A 77 -5.702 -8.641 -8.825 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.227 -10.699 -8.728 1.00 0.00 N ATOM 1258 CA ASN A 78 -2.854 -11.168 -8.875 1.00 0.00 C ATOM 1259 C ASN A 78 -2.707 -12.593 -8.350 1.00 0.00 C ATOM 1260 O ASN A 78 -2.016 -13.417 -8.949 1.00 0.00 O ATOM 1261 CB ASN A 78 -1.893 -10.237 -8.132 1.00 0.00 C ATOM 1262 CG ASN A 78 -1.637 -8.947 -8.887 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.479 -8.491 -9.661 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -0.471 -8.353 -8.665 1.00 0.00 N ATOM 0 H ASN A 78 -4.318 -9.803 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.606 -11.163 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.304 -10.004 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.947 -10.752 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.243 -7.482 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.197 -8.767 -8.015 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.361 -12.876 -7.229 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.305 -14.201 -6.625 1.00 0.00 C ATOM 1273 C ALA A 79 -3.812 -15.266 -7.592 1.00 0.00 C ATOM 1274 O ALA A 79 -3.041 -16.096 -8.077 1.00 0.00 O ATOM 1275 CB ALA A 79 -4.113 -14.228 -5.336 1.00 0.00 C ATOM 0 H ALA A 79 -3.936 -12.205 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.264 -14.424 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.062 -15.224 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.704 -13.500 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.152 -13.980 -5.553 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.111 -15.238 -7.867 1.00 0.00 N ATOM 1282 CA LEU A 80 -5.721 -16.203 -8.776 1.00 0.00 C ATOM 1283 C LEU A 80 -4.898 -16.344 -10.053 1.00 0.00 C ATOM 1284 O LEU A 80 -4.554 -17.452 -10.461 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.149 -15.775 -9.121 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.201 -16.015 -8.038 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.402 -15.106 -8.249 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -8.631 -17.475 -8.026 1.00 0.00 C ATOM 0 H LEU A 80 -5.762 -14.558 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.749 -17.171 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.140 -14.712 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.458 -16.304 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.758 -15.779 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.140 -15.291 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.082 -14.065 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.846 -15.310 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.380 -17.627 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.055 -17.737 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.766 -18.107 -7.825 1.00 0.00 H new ATOM 1300 N GLU A 81 -4.585 -15.213 -10.677 1.00 0.00 N ATOM 1301 CA GLU A 81 -3.801 -15.211 -11.907 1.00 0.00 C ATOM 1302 C GLU A 81 -2.661 -16.222 -11.826 1.00 0.00 C ATOM 1303 O GLU A 81 -2.616 -17.186 -12.591 1.00 0.00 O ATOM 1304 CB GLU A 81 -3.240 -13.814 -12.178 1.00 0.00 C ATOM 1305 CG GLU A 81 -4.300 -12.798 -12.568 1.00 0.00 C ATOM 1306 CD GLU A 81 -4.647 -12.854 -14.043 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -3.850 -12.348 -14.861 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -5.716 -13.404 -14.380 1.00 0.00 O ATOM 0 H GLU A 81 -4.862 -14.287 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.459 -15.496 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.721 -13.461 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.499 -13.877 -12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.201 -12.974 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.947 -11.797 -12.319 1.00 0.00 H new ATOM 1315 N TYR A 82 -1.742 -15.995 -10.895 1.00 0.00 N ATOM 1316 CA TYR A 82 -0.599 -16.884 -10.715 1.00 0.00 C ATOM 1317 C TYR A 82 -0.753 -17.719 -9.448 1.00 0.00 C ATOM 1318 O TYR A 82 -0.253 -17.354 -8.385 1.00 0.00 O ATOM 1319 CB TYR A 82 0.697 -16.075 -10.652 1.00 0.00 C ATOM 1320 CG TYR A 82 0.818 -15.038 -11.745 1.00 0.00 C ATOM 1321 CD1 TYR A 82 1.330 -15.371 -12.993 1.00 0.00 C ATOM 1322 CD2 TYR A 82 0.420 -13.724 -11.530 1.00 0.00 C ATOM 1323 CE1 TYR A 82 1.443 -14.427 -13.994 1.00 0.00 C ATOM 1324 CE2 TYR A 82 0.528 -12.773 -12.527 1.00 0.00 C ATOM 1325 CZ TYR A 82 1.040 -13.129 -13.757 1.00 0.00 C ATOM 1326 OH TYR A 82 1.150 -12.185 -14.752 1.00 0.00 O ATOM 0 H TYR A 82 -1.765 -15.203 -10.253 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.557 -17.559 -11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.759 -15.579 -9.684 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.545 -16.757 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.645 -16.386 -13.183 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.020 -13.441 -10.568 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.845 -14.703 -14.958 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.213 -11.756 -12.344 1.00 0.00 H new ATOM 0 HH TYR A 82 0.614 -11.399 -14.518 1.00 0.00 H new ATOM 1431 N ASP A 90 -5.466 -25.046 -2.524 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.873 -24.045 -3.503 1.00 0.00 C ATOM 1433 C ASP A 90 -7.373 -23.780 -3.419 1.00 0.00 C ATOM 1434 O ASP A 90 -7.812 -22.629 -3.411 1.00 0.00 O ATOM 1435 CB ASP A 90 -5.502 -24.502 -4.915 1.00 0.00 C ATOM 1436 CG ASP A 90 -6.390 -25.627 -5.411 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -7.530 -25.341 -5.831 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -5.944 -26.793 -5.379 1.00 0.00 O ATOM 0 HA ASP A 90 -5.346 -23.118 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.576 -23.656 -5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.463 -24.831 -4.926 1.00 0.00 H new ATOM 1443 N LYS A 91 -8.156 -24.852 -3.356 1.00 0.00 N ATOM 1444 CA LYS A 91 -9.607 -24.736 -3.272 1.00 0.00 C ATOM 1445 C LYS A 91 -10.009 -23.639 -2.292 1.00 0.00 C ATOM 1446 O LYS A 91 -11.098 -23.073 -2.393 1.00 0.00 O ATOM 1447 CB LYS A 91 -10.221 -26.070 -2.841 1.00 0.00 C ATOM 1448 CG LYS A 91 -10.298 -27.094 -3.960 1.00 0.00 C ATOM 1449 CD LYS A 91 -11.093 -28.319 -3.541 1.00 0.00 C ATOM 1450 CE LYS A 91 -10.215 -29.336 -2.827 1.00 0.00 C ATOM 1451 NZ LYS A 91 -9.349 -30.085 -3.778 1.00 0.00 N ATOM 0 H LYS A 91 -7.810 -25.811 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.984 -24.472 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.633 -26.483 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.224 -25.891 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.760 -26.642 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.291 -27.394 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.909 -28.017 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.544 -28.780 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.592 -28.826 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.844 -30.037 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.881 -30.868 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.931 -30.467 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.629 -29.445 -4.170 1.00 0.00 H new ATOM 1465 N ILE A 92 -9.124 -23.343 -1.346 1.00 0.00 N ATOM 1466 CA ILE A 92 -9.387 -22.311 -0.350 1.00 0.00 C ATOM 1467 C ILE A 92 -8.949 -20.939 -0.851 1.00 0.00 C ATOM 1468 O ILE A 92 -9.755 -20.012 -0.936 1.00 0.00 O ATOM 1469 CB ILE A 92 -8.668 -22.614 0.978 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -9.196 -23.917 1.583 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -8.848 -21.460 1.952 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -8.445 -25.146 1.121 1.00 0.00 C ATOM 0 H ILE A 92 -8.219 -23.803 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.463 -22.306 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.603 -22.733 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.138 -23.853 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.249 -24.027 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.334 -21.689 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.429 -20.551 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.910 -21.312 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.873 -26.032 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.524 -25.235 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.396 -25.058 1.402 1.00 0.00 H new ATOM 1484 N ILE A 93 -7.668 -20.818 -1.183 1.00 0.00 N ATOM 1485 CA ILE A 93 -7.124 -19.560 -1.679 1.00 0.00 C ATOM 1486 C ILE A 93 -8.103 -18.872 -2.624 1.00 0.00 C ATOM 1487 O ILE A 93 -8.305 -17.660 -2.550 1.00 0.00 O ATOM 1488 CB ILE A 93 -5.786 -19.775 -2.410 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.668 -20.051 -1.403 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -5.449 -18.562 -3.264 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -3.570 -20.939 -1.947 1.00 0.00 C ATOM 0 H ILE A 93 -6.988 -21.575 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.955 -18.924 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.881 -20.641 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.234 -19.103 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.096 -20.518 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.501 -18.729 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.236 -18.407 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.369 -17.680 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.812 -21.092 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.991 -21.901 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.115 -20.464 -2.816 1.00 0.00 H new ATOM 1503 N ARG A 94 -8.709 -19.654 -3.511 1.00 0.00 N ATOM 1504 CA ARG A 94 -9.668 -19.121 -4.471 1.00 0.00 C ATOM 1505 C ARG A 94 -10.601 -18.113 -3.805 1.00 0.00 C ATOM 1506 O ARG A 94 -10.888 -17.054 -4.364 1.00 0.00 O ATOM 1507 CB ARG A 94 -10.484 -20.255 -5.093 1.00 0.00 C ATOM 1508 CG ARG A 94 -11.396 -19.802 -6.222 1.00 0.00 C ATOM 1509 CD ARG A 94 -12.062 -20.984 -6.909 1.00 0.00 C ATOM 1510 NE ARG A 94 -12.888 -21.758 -5.987 1.00 0.00 N ATOM 1511 CZ ARG A 94 -14.134 -21.429 -5.664 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -14.694 -20.347 -6.185 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -14.822 -22.185 -4.817 1.00 0.00 N ATOM 0 H ARG A 94 -8.553 -20.659 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.112 -18.611 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.802 -21.016 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.087 -20.725 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.160 -19.132 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.819 -19.234 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.678 -20.624 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.298 -21.630 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.487 -22.597 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.168 -19.764 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.651 -20.097 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.394 -23.019 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.779 -21.932 -4.569 1.00 0.00 H new ATOM 1527 N HIS A 95 -11.072 -18.452 -2.609 1.00 0.00 N ATOM 1528 CA HIS A 95 -11.973 -17.577 -1.867 1.00 0.00 C ATOM 1529 C HIS A 95 -11.188 -16.628 -0.966 1.00 0.00 C ATOM 1530 O HIS A 95 -11.454 -15.426 -0.933 1.00 0.00 O ATOM 1531 CB HIS A 95 -12.947 -18.406 -1.029 1.00 0.00 C ATOM 1532 CG HIS A 95 -14.247 -17.712 -0.763 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -15.090 -17.059 -1.597 1.00 0.00 N flip ATOM 1534 CD2 HIS A 95 -14.817 -17.637 0.490 1.00 0.00 C flip ATOM 1535 CE1 HIS A 95 -16.143 -16.607 -0.841 1.00 0.00 C flip ATOM 1536 NE2 HIS A 95 -15.954 -16.969 0.415 1.00 0.00 N flip ATOM 0 H HIS A 95 -10.845 -19.325 -2.133 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.538 -16.983 -2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -13.145 -19.347 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -12.476 -18.654 -0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -14.399 -18.059 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -16.988 -16.047 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -16.580 -16.767 1.195 1.00 0.00 H new ATOM 1545 N ARG A 96 -10.222 -17.176 -0.236 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.401 -16.378 0.666 1.00 0.00 C ATOM 1547 C ARG A 96 -9.038 -15.039 0.031 1.00 0.00 C ATOM 1548 O ARG A 96 -8.972 -14.016 0.712 1.00 0.00 O ATOM 1549 CB ARG A 96 -8.127 -17.140 1.039 1.00 0.00 C ATOM 1550 CG ARG A 96 -7.590 -16.790 2.417 1.00 0.00 C ATOM 1551 CD ARG A 96 -6.799 -17.943 3.015 1.00 0.00 C ATOM 1552 NE ARG A 96 -6.872 -17.959 4.474 1.00 0.00 N ATOM 1553 CZ ARG A 96 -6.570 -19.020 5.213 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -6.177 -20.146 4.634 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -6.661 -18.956 6.536 1.00 0.00 N ATOM 0 H ARG A 96 -9.989 -18.169 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.980 -16.186 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.329 -18.210 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.358 -16.932 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.954 -15.908 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.418 -16.534 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.180 -18.886 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.757 -17.867 2.705 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.171 -17.109 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.106 -20.199 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.946 -20.959 5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.963 -18.091 6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.429 -19.771 7.103 1.00 0.00 H new ATOM 1569 N ALA A 97 -8.804 -15.054 -1.277 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.449 -13.842 -2.004 1.00 0.00 C ATOM 1571 C ALA A 97 -9.565 -12.806 -1.921 1.00 0.00 C ATOM 1572 O ALA A 97 -9.384 -11.728 -1.355 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.137 -14.170 -3.456 1.00 0.00 C ATOM 0 H ALA A 97 -8.854 -15.893 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.559 -13.417 -1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.873 -13.255 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.301 -14.869 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.012 -14.621 -3.923 1.00 0.00 H new ATOM 1579 N CYS A 98 -10.719 -13.140 -2.490 1.00 0.00 N ATOM 1580 CA CYS A 98 -11.864 -12.237 -2.481 1.00 0.00 C ATOM 1581 C CYS A 98 -12.220 -11.823 -1.057 1.00 0.00 C ATOM 1582 O CYS A 98 -12.516 -10.657 -0.793 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.069 -12.903 -3.148 1.00 0.00 C ATOM 1584 SG CYS A 98 -13.686 -14.360 -2.271 1.00 0.00 S ATOM 0 H CYS A 98 -10.886 -14.028 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 98 -11.595 -11.342 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.875 -12.173 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -12.796 -13.192 -4.163 1.00 0.00 H new ATOM 0 HG CYS A 98 -12.688 -15.004 -1.743 1.00 0.00 H new ATOM 1590 N THR A 99 -12.191 -12.786 -0.141 1.00 0.00 N ATOM 1591 CA THR A 99 -12.513 -12.523 1.255 1.00 0.00 C ATOM 1592 C THR A 99 -11.676 -11.374 1.805 1.00 0.00 C ATOM 1593 O THR A 99 -12.179 -10.519 2.536 1.00 0.00 O ATOM 1594 CB THR A 99 -12.287 -13.771 2.129 1.00 0.00 C ATOM 1595 OG1 THR A 99 -12.931 -14.906 1.538 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.824 -13.552 3.535 1.00 0.00 C ATOM 0 H THR A 99 -11.947 -13.756 -0.342 1.00 0.00 H new ATOM 0 HA THR A 99 -13.568 -12.250 1.290 1.00 0.00 H new ATOM 0 HB THR A 99 -11.214 -13.954 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.393 -15.234 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.653 -14.447 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.311 -12.706 3.993 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.893 -13.346 3.488 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.396 -11.357 1.450 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.488 -10.311 1.907 1.00 0.00 C ATOM 1606 C LEU A 100 -9.999 -8.932 1.503 1.00 0.00 C ATOM 1607 O LEU A 100 -10.078 -8.021 2.328 1.00 0.00 O ATOM 1608 CB LEU A 100 -8.088 -10.537 1.334 1.00 0.00 C ATOM 1609 CG LEU A 100 -7.065 -9.433 1.605 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.333 -9.693 2.912 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -6.079 -9.325 0.451 1.00 0.00 C ATOM 0 H LEU A 100 -9.963 -12.056 0.847 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.440 -10.356 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.699 -11.472 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.175 -10.667 0.255 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.596 -8.485 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.609 -8.897 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.051 -9.719 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.814 -10.650 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.358 -8.535 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.554 -10.273 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.618 -9.090 -0.467 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.346 -8.785 0.229 1.00 0.00 N ATOM 1624 CA LYS A 101 -10.852 -7.518 -0.285 1.00 0.00 C ATOM 1625 C LYS A 101 -11.970 -6.979 0.602 1.00 0.00 C ATOM 1626 O LYS A 101 -11.839 -5.913 1.203 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.363 -7.693 -1.717 1.00 0.00 C ATOM 1628 CG LYS A 101 -11.926 -6.419 -2.322 1.00 0.00 C ATOM 1629 CD LYS A 101 -12.285 -6.608 -3.787 1.00 0.00 C ATOM 1630 CE LYS A 101 -13.612 -7.335 -3.946 1.00 0.00 C ATOM 1631 NZ LYS A 101 -14.769 -6.404 -3.844 1.00 0.00 N ATOM 0 H LYS A 101 -10.286 -9.528 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.032 -6.800 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.547 -8.053 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.135 -8.462 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.812 -6.112 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.195 -5.616 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.340 -5.636 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.497 -7.173 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.636 -7.840 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.698 -8.106 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.655 -6.937 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.761 -5.941 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.701 -5.683 -4.590 1.00 0.00 H new ATOM 1645 N ASP A 102 -13.068 -7.723 0.679 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.208 -7.321 1.495 1.00 0.00 C ATOM 1647 C ASP A 102 -13.747 -6.785 2.847 1.00 0.00 C ATOM 1648 O ASP A 102 -14.210 -5.740 3.304 1.00 0.00 O ATOM 1649 CB ASP A 102 -15.159 -8.501 1.698 1.00 0.00 C ATOM 1650 CG ASP A 102 -16.444 -8.096 2.393 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -17.196 -7.279 1.821 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -16.698 -8.596 3.509 1.00 0.00 O ATOM 0 H ASP A 102 -13.193 -8.607 0.186 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.736 -6.525 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -15.396 -8.943 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.658 -9.270 2.286 1.00 0.00 H new ATOM 1657 N THR A 103 -12.831 -7.508 3.483 1.00 0.00 N ATOM 1658 CA THR A 103 -12.308 -7.107 4.783 1.00 0.00 C ATOM 1659 C THR A 103 -11.603 -5.758 4.700 1.00 0.00 C ATOM 1660 O THR A 103 -11.965 -4.814 5.402 1.00 0.00 O ATOM 1661 CB THR A 103 -11.325 -8.154 5.341 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.952 -9.441 5.385 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.853 -7.766 6.734 1.00 0.00 C ATOM 0 H THR A 103 -12.436 -8.375 3.119 1.00 0.00 H new ATOM 0 HA THR A 103 -13.162 -7.027 5.456 1.00 0.00 H new ATOM 0 HB THR A 103 -10.459 -8.195 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.018 -9.804 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.160 -8.520 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.350 -6.800 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.711 -7.699 7.403 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.596 -5.674 3.838 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.842 -4.439 3.662 1.00 0.00 C ATOM 1673 C ALA A 104 -10.774 -3.258 3.414 1.00 0.00 C ATOM 1674 O ALA A 104 -10.685 -2.232 4.088 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.853 -4.584 2.514 1.00 0.00 C ATOM 0 H ALA A 104 -10.283 -6.447 3.250 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.289 -4.245 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.297 -3.654 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.160 -5.396 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.394 -4.805 1.594 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.668 -3.409 2.441 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.617 -2.354 2.104 1.00 0.00 C ATOM 1683 C HIS A 105 -13.472 -1.985 3.313 1.00 0.00 C ATOM 1684 O HIS A 105 -13.769 -0.813 3.541 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.513 -2.795 0.947 1.00 0.00 C ATOM 1686 CG HIS A 105 -12.918 -2.538 -0.403 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -13.285 -1.472 -1.197 1.00 0.00 N ATOM 1688 CD2 HIS A 105 -11.975 -3.216 -1.098 1.00 0.00 C ATOM 1689 CE1 HIS A 105 -12.595 -1.506 -2.323 1.00 0.00 C ATOM 1690 NE2 HIS A 105 -11.792 -2.554 -2.288 1.00 0.00 N ATOM 0 H HIS A 105 -11.755 -4.252 1.873 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.050 -1.474 1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.722 -3.860 1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.468 -2.275 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.462 -4.111 -0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.674 -0.797 -3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -11.142 -2.827 -3.025 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.863 -2.995 4.085 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.682 -2.776 5.270 1.00 0.00 C ATOM 1701 C ALA A 106 -13.905 -2.022 6.344 1.00 0.00 C ATOM 1702 O ALA A 106 -14.454 -1.161 7.031 1.00 0.00 O ATOM 1703 CB ALA A 106 -15.186 -4.105 5.816 1.00 0.00 C ATOM 0 H ALA A 106 -13.626 -3.971 3.910 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.538 -2.165 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.796 -3.927 6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.786 -4.606 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.337 -4.735 6.082 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.625 -2.352 6.482 1.00 0.00 N ATOM 1710 CA ILE A 107 -11.773 -1.705 7.472 1.00 0.00 C ATOM 1711 C ILE A 107 -11.641 -0.212 7.192 1.00 0.00 C ATOM 1712 O ILE A 107 -11.705 0.609 8.108 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.368 -2.335 7.503 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.439 -3.766 8.040 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.428 -1.492 8.351 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.188 -4.574 7.775 1.00 0.00 C ATOM 0 H ILE A 107 -12.156 -3.063 5.921 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.250 -1.850 8.441 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.978 -2.367 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.620 -3.734 9.114 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.292 -4.273 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.439 -1.950 8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.358 -0.489 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.812 -1.431 9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.310 -5.577 8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.017 -4.638 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.335 -4.090 8.250 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.460 0.133 5.922 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.323 1.528 5.522 1.00 0.00 C ATOM 1730 C ILE A 108 -12.643 2.276 5.676 1.00 0.00 C ATOM 1731 O ILE A 108 -12.706 3.314 6.335 1.00 0.00 O ATOM 1732 CB ILE A 108 -10.844 1.651 4.063 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.593 0.799 3.841 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.570 3.106 3.717 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.331 1.424 4.393 1.00 0.00 C ATOM 0 H ILE A 108 -11.405 -0.534 5.152 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.577 1.973 6.180 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.631 1.284 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.740 -0.176 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.466 0.626 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.232 3.177 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.483 3.688 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.797 3.498 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.484 0.765 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.160 2.386 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.438 1.572 5.468 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.695 1.741 5.066 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.015 2.356 5.139 1.00 0.00 C ATOM 1749 C ALA A 109 -15.412 2.634 6.585 1.00 0.00 C ATOM 1750 O ALA A 109 -15.993 3.675 6.890 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.050 1.466 4.468 1.00 0.00 C ATOM 0 H ALA A 109 -13.659 0.883 4.516 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.974 3.309 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.031 1.938 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.782 1.322 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.080 0.500 4.971 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.094 1.697 7.472 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.416 1.842 8.886 1.00 0.00 C ATOM 1759 C ALA A 110 -14.442 2.791 9.576 1.00 0.00 C ATOM 1760 O ALA A 110 -14.851 3.782 10.180 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.408 0.484 9.571 1.00 0.00 C ATOM 0 H ALA A 110 -14.613 0.829 7.236 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.416 2.270 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.650 0.608 10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.148 -0.164 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.420 0.034 9.476 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.153 2.479 9.484 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.122 3.305 10.101 1.00 0.00 C ATOM 1769 C GLU A 111 -12.094 4.697 9.478 1.00 0.00 C ATOM 1770 O GLU A 111 -12.407 5.691 10.136 1.00 0.00 O ATOM 1771 CB GLU A 111 -10.751 2.641 9.956 1.00 0.00 C ATOM 1772 CG GLU A 111 -10.598 1.373 10.779 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.150 1.056 11.098 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -8.333 1.998 11.147 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -8.835 -0.136 11.298 1.00 0.00 O ATOM 0 H GLU A 111 -12.798 1.661 8.989 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.359 3.405 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.580 2.405 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.979 3.352 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.156 1.478 11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.038 0.537 10.236 1.00 0.00 H new ATOM 1782 N LEU A 112 -11.717 4.762 8.206 1.00 0.00 N ATOM 1783 CA LEU A 112 -11.647 6.033 7.492 1.00 0.00 C ATOM 1784 C LEU A 112 -12.860 6.902 7.808 1.00 0.00 C ATOM 1785 O LEU A 112 -13.979 6.404 7.928 1.00 0.00 O ATOM 1786 CB LEU A 112 -11.558 5.789 5.985 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.054 6.962 5.144 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -9.554 7.141 5.322 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.398 6.753 3.676 1.00 0.00 C ATOM 0 H LEU A 112 -11.455 3.950 7.647 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.751 6.559 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.901 4.936 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.547 5.507 5.624 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.551 7.870 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.213 7.980 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.333 7.338 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.039 6.233 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.032 7.598 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.930 5.835 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.479 6.676 3.563 1.00 0.00 H new ATOM 1801 N ASP A 113 -12.629 8.204 7.941 1.00 0.00 N ATOM 1802 CA ASP A 113 -13.704 9.144 8.239 1.00 0.00 C ATOM 1803 C ASP A 113 -14.214 9.809 6.964 1.00 0.00 C ATOM 1804 O ASP A 113 -13.446 10.163 6.070 1.00 0.00 O ATOM 1805 CB ASP A 113 -13.220 10.207 9.226 1.00 0.00 C ATOM 1806 CG ASP A 113 -14.362 10.862 9.977 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -15.036 10.161 10.760 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.583 12.076 9.781 1.00 0.00 O ATOM 0 H ASP A 113 -11.708 8.632 7.847 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.526 8.588 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.534 9.751 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.658 10.970 8.687 1.00 0.00 H new ATOM 1813 N PRO A 114 -15.541 9.983 6.878 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.183 10.606 5.717 1.00 0.00 C ATOM 1815 C PRO A 114 -15.882 12.098 5.619 1.00 0.00 C ATOM 1816 O PRO A 114 -16.356 12.777 4.709 1.00 0.00 O ATOM 1817 CB PRO A 114 -17.675 10.377 5.971 1.00 0.00 C ATOM 1818 CG PRO A 114 -17.790 10.241 7.450 1.00 0.00 C ATOM 1819 CD PRO A 114 -16.516 9.586 7.907 1.00 0.00 C ATOM 0 HA PRO A 114 -15.827 10.182 4.778 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.272 11.211 5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.030 9.481 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -17.919 11.215 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -18.657 9.638 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -16.219 9.932 8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -16.620 8.503 7.966 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.091 12.600 6.562 1.00 0.00 N ATOM 1828 CA GLU A 115 -14.729 14.013 6.580 1.00 0.00 C ATOM 1829 C GLU A 115 -13.262 14.203 6.202 1.00 0.00 C ATOM 1830 O GLU A 115 -12.888 15.218 5.614 1.00 0.00 O ATOM 1831 CB GLU A 115 -14.991 14.611 7.964 1.00 0.00 C ATOM 1832 CG GLU A 115 -16.456 14.592 8.367 1.00 0.00 C ATOM 1833 CD GLU A 115 -16.817 15.723 9.310 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -16.047 15.973 10.260 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -17.870 16.360 9.096 1.00 0.00 O ATOM 0 H GLU A 115 -14.689 12.051 7.322 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.346 14.530 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -14.412 14.059 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -14.632 15.640 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.076 14.658 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -16.685 13.639 8.844 1.00 0.00 H new ATOM 1842 N PHE A 116 -12.437 13.219 6.543 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.012 13.277 6.242 1.00 0.00 C ATOM 1844 C PHE A 116 -10.747 12.895 4.788 1.00 0.00 C ATOM 1845 O PHE A 116 -9.929 13.516 4.111 1.00 0.00 O ATOM 1846 CB PHE A 116 -10.233 12.348 7.175 1.00 0.00 C ATOM 1847 CG PHE A 116 -8.773 12.243 6.835 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -7.893 13.255 7.183 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -8.282 11.133 6.167 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -6.549 13.162 6.873 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -6.939 11.034 5.854 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.072 12.050 6.206 1.00 0.00 C ATOM 0 H PHE A 116 -12.731 12.371 7.028 1.00 0.00 H new ATOM 0 HA PHE A 116 -10.675 14.302 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -10.334 12.707 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -10.678 11.354 7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.261 14.127 7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -8.956 10.336 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -5.873 13.957 7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.568 10.163 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.023 11.975 5.960 1.00 0.00 H new ATOM 1862 N ASN A 117 -11.446 11.868 4.316 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.287 11.401 2.944 1.00 0.00 C ATOM 1864 C ASN A 117 -11.566 12.526 1.951 1.00 0.00 C ATOM 1865 O ASN A 117 -10.950 12.597 0.887 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.223 10.222 2.672 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.094 9.696 1.255 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -11.178 8.933 0.946 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.012 10.102 0.387 1.00 0.00 N ATOM 0 H ASN A 117 -12.128 11.343 4.864 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.255 11.074 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.005 9.419 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.253 10.531 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.976 9.781 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.753 10.735 0.687 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.497 13.404 2.306 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.858 14.527 1.449 1.00 0.00 C ATOM 1878 C LYS A 118 -11.728 15.550 1.388 1.00 0.00 C ATOM 1879 O LYS A 118 -11.656 16.356 0.460 1.00 0.00 O ATOM 1880 CB LYS A 118 -14.137 15.195 1.960 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.389 14.366 1.730 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.551 14.867 2.571 1.00 0.00 C ATOM 1883 CE LYS A 118 -17.049 16.219 2.084 1.00 0.00 C ATOM 1884 NZ LYS A 118 -17.789 16.107 0.796 1.00 0.00 N ATOM 0 H LYS A 118 -13.016 13.360 3.183 1.00 0.00 H new ATOM 0 HA LYS A 118 -13.032 14.143 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.033 15.392 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.255 16.160 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.661 14.400 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.186 13.323 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.366 14.144 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.240 14.946 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.700 16.660 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -16.203 16.894 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.255 17.012 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -17.123 15.873 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -18.506 15.358 0.872 1.00 0.00 H new ATOM 1898 N LEU A 119 -10.846 15.510 2.381 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.718 16.433 2.439 1.00 0.00 C ATOM 1900 C LEU A 119 -8.558 15.929 1.585 1.00 0.00 C ATOM 1901 O LEU A 119 -8.170 16.571 0.608 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.258 16.616 3.887 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.222 17.363 4.808 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -9.818 17.184 6.263 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.271 18.840 4.445 1.00 0.00 C ATOM 0 H LEU A 119 -10.890 14.849 3.156 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.046 17.394 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.069 15.631 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.307 17.149 3.880 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.219 16.943 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.516 17.723 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.836 16.124 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.812 17.576 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.962 19.356 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.276 19.273 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.609 18.950 3.415 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.012 14.778 1.959 1.00 0.00 N ATOM 1918 CA CYS A 120 -6.897 14.187 1.226 1.00 0.00 C ATOM 1919 C CYS A 120 -7.167 14.198 -0.275 1.00 0.00 C ATOM 1920 O CYS A 120 -6.247 14.350 -1.078 1.00 0.00 O ATOM 1921 CB CYS A 120 -6.649 12.755 1.702 1.00 0.00 C ATOM 1922 SG CYS A 120 -8.075 11.658 1.517 1.00 0.00 S ATOM 0 H CYS A 120 -8.322 14.235 2.765 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.007 14.786 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -5.809 12.339 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -6.356 12.778 2.752 1.00 0.00 H new ATOM 0 HG CYS A 120 -9.127 12.360 1.215 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.433 14.035 -0.645 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.822 14.024 -2.050 1.00 0.00 C ATOM 1930 C GLU A 121 -8.978 15.446 -2.583 1.00 0.00 C ATOM 1931 O GLU A 121 -8.819 15.692 -3.778 1.00 0.00 O ATOM 1932 CB GLU A 121 -10.131 13.253 -2.234 1.00 0.00 C ATOM 1933 CG GLU A 121 -11.352 13.993 -1.715 1.00 0.00 C ATOM 1934 CD GLU A 121 -12.636 13.210 -1.910 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -12.943 12.353 -1.056 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -13.333 13.455 -2.917 1.00 0.00 O ATOM 0 H GLU A 121 -9.206 13.909 0.008 1.00 0.00 H new ATOM 0 HA GLU A 121 -8.033 13.527 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.270 13.038 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.053 12.294 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.219 14.207 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.435 14.952 -2.226 1.00 0.00 H new ATOM 1943 N GLU A 122 -9.290 16.377 -1.686 1.00 0.00 N ATOM 1944 CA GLU A 122 -9.469 17.773 -2.066 1.00 0.00 C ATOM 1945 C GLU A 122 -8.137 18.403 -2.466 1.00 0.00 C ATOM 1946 O GLU A 122 -8.091 19.301 -3.307 1.00 0.00 O ATOM 1947 CB GLU A 122 -10.093 18.562 -0.914 1.00 0.00 C ATOM 1948 CG GLU A 122 -11.612 18.589 -0.947 1.00 0.00 C ATOM 1949 CD GLU A 122 -12.157 19.675 -1.853 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -12.126 20.856 -1.450 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -12.615 19.343 -2.966 1.00 0.00 O ATOM 0 H GLU A 122 -9.424 16.189 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 122 -10.140 17.806 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.766 18.128 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.719 19.586 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -11.981 17.621 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -11.991 18.740 0.064 1.00 0.00 H new ATOM 1958 N ILE A 123 -7.057 17.925 -1.857 1.00 0.00 N ATOM 1959 CA ILE A 123 -5.725 18.440 -2.149 1.00 0.00 C ATOM 1960 C ILE A 123 -5.183 17.857 -3.450 1.00 0.00 C ATOM 1961 O ILE A 123 -4.480 18.532 -4.201 1.00 0.00 O ATOM 1962 CB ILE A 123 -4.738 18.129 -1.009 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -5.234 18.738 0.304 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.351 18.651 -1.351 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -4.523 18.199 1.526 1.00 0.00 C ATOM 0 H ILE A 123 -7.078 17.182 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.820 19.521 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.677 17.048 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -5.104 19.820 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.303 18.549 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.665 18.423 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.998 18.174 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.394 19.730 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.925 18.675 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.674 17.121 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.457 18.412 1.450 1.00 0.00 H new ATOM 1977 N LYS A 124 -5.516 16.597 -3.710 1.00 0.00 N ATOM 1978 CA LYS A 124 -5.066 15.921 -4.921 1.00 0.00 C ATOM 1979 C LYS A 124 -5.786 16.469 -6.149 1.00 0.00 C ATOM 1980 O LYS A 124 -5.180 16.652 -7.204 1.00 0.00 O ATOM 1981 CB LYS A 124 -5.305 14.414 -4.807 1.00 0.00 C ATOM 1982 CG LYS A 124 -5.372 13.705 -6.149 1.00 0.00 C ATOM 1983 CD LYS A 124 -6.794 13.648 -6.679 1.00 0.00 C ATOM 1984 CE LYS A 124 -6.877 12.845 -7.969 1.00 0.00 C ATOM 1985 NZ LYS A 124 -8.119 13.148 -8.732 1.00 0.00 N ATOM 0 H LYS A 124 -6.096 16.023 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.998 16.106 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.506 13.972 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -6.237 14.242 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.736 14.222 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.980 12.693 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.445 13.201 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.159 14.660 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.008 13.063 -8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.844 11.781 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.138 12.581 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.949 12.916 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.139 14.159 -8.976 1.00 0.00 H new