USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -5.51! C(o=-6.4!,f=-17!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 133:sc= -0.855! (180deg=-0.0527) USER MOD Set 2.1: A 72 GLN : amide:sc= -0.691 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.498 K(o=-1.2,f=-7!) USER MOD Set 3.1: A 64 SER OG : rot 109:sc= -1.94! USER MOD Set 3.2: A 67 ASN : amide:sc= -2.65 K(o=-4.6,f=-5.3!) USER MOD Set 4.1: A 8 GLN :FLIP amide:sc= -0.511 F(o=-10!,f=-0.24) USER MOD Set 4.2: A 11 LYS NZ :NH3+ -127:sc= 0.27 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.351 (180deg=-0.849) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.3) USER MOD Single : A 31 GLN : amide:sc= -5 K(o=-5,f=-7.8!) USER MOD Single : A 36 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0169 (180deg=-0.365) USER MOD Single : A 43 GLN : amide:sc=-0.00463 K(o=-0.0046,f=-1.5!) USER MOD Single : A 47 SER OG : rot 69:sc= -0.691 USER MOD Single : A 52 LYS NZ :NH3+ 133:sc= -0.098 (180deg=-0.959!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.847 F(o=-1.5,f=-0.85) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 100:sc= 1.07 USER MOD Single : A 79 SER OG : rot -18:sc= 0.799 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.301 0.441 19.634 1.00 0.00 N ATOM 45 CA ILE A 4 -7.215 -0.623 19.222 1.00 0.00 C ATOM 46 C ILE A 4 -7.710 -0.386 17.799 1.00 0.00 C ATOM 47 O ILE A 4 -8.119 0.720 17.450 1.00 0.00 O ATOM 48 CB ILE A 4 -8.402 -0.682 20.168 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.918 -1.033 21.578 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.387 -1.752 19.688 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.047 -0.792 22.583 1.00 0.00 C ATOM 0 HA ILE A 4 -6.676 -1.570 19.254 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.898 0.288 20.185 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.600 -2.075 21.616 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.051 -0.426 21.837 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.238 -1.794 20.367 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.735 -1.503 18.685 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.890 -2.722 19.669 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.701 -1.042 23.586 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.344 0.256 22.553 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.902 -1.418 22.327 1.00 0.00 H new ATOM 63 N PHE A 5 -7.661 -1.430 16.981 1.00 0.00 N ATOM 64 CA PHE A 5 -8.098 -1.317 15.595 1.00 0.00 C ATOM 65 C PHE A 5 -9.574 -0.960 15.540 1.00 0.00 C ATOM 66 O PHE A 5 -10.392 -1.545 16.248 1.00 0.00 O ATOM 67 CB PHE A 5 -7.856 -2.653 14.860 1.00 0.00 C ATOM 68 CG PHE A 5 -6.481 -2.662 14.235 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.388 -2.153 14.944 1.00 0.00 C ATOM 70 CD2 PHE A 5 -6.305 -3.167 12.942 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.118 -2.151 14.361 1.00 0.00 C ATOM 72 CE2 PHE A 5 -5.037 -3.162 12.358 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.942 -2.655 13.068 1.00 0.00 C ATOM 0 H PHE A 5 -7.327 -2.356 17.249 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.525 -0.529 15.107 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.951 -3.484 15.559 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.614 -2.796 14.090 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.525 -1.762 15.941 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.150 -3.560 12.396 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.273 -1.761 14.908 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.901 -3.549 11.359 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.961 -2.653 12.617 1.00 0.00 H new ATOM 83 N THR A 6 -9.908 0.007 14.690 1.00 0.00 N ATOM 84 CA THR A 6 -11.295 0.442 14.538 1.00 0.00 C ATOM 85 C THR A 6 -11.909 -0.170 13.287 1.00 0.00 C ATOM 86 O THR A 6 -11.206 -0.737 12.451 1.00 0.00 O ATOM 87 CB THR A 6 -11.356 1.968 14.444 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.648 2.535 15.538 1.00 0.00 O ATOM 89 CG2 THR A 6 -12.814 2.439 14.480 1.00 0.00 C ATOM 0 H THR A 6 -9.242 0.503 14.098 1.00 0.00 H new ATOM 0 HA THR A 6 -11.860 0.110 15.409 1.00 0.00 H new ATOM 0 HB THR A 6 -10.902 2.287 13.506 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.684 3.513 15.479 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.847 3.526 14.413 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.357 2.007 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.277 2.119 15.414 1.00 0.00 H new ATOM 97 N VAL A 7 -13.224 -0.048 13.166 1.00 0.00 N ATOM 98 CA VAL A 7 -13.928 -0.595 12.016 1.00 0.00 C ATOM 99 C VAL A 7 -13.427 0.045 10.728 1.00 0.00 C ATOM 100 O VAL A 7 -13.178 -0.649 9.744 1.00 0.00 O ATOM 101 CB VAL A 7 -15.435 -0.349 12.157 1.00 0.00 C ATOM 102 CG1 VAL A 7 -16.150 -0.746 10.860 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.984 -1.185 13.317 1.00 0.00 C ATOM 0 H VAL A 7 -13.821 0.422 13.846 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.737 -1.667 11.975 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.608 0.709 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.220 -0.569 10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.763 -0.149 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.975 -1.803 10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.055 -1.010 13.417 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.806 -2.242 13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.482 -0.899 14.241 1.00 0.00 H new ATOM 113 N GLN A 8 -13.285 1.365 10.740 1.00 0.00 N ATOM 114 CA GLN A 8 -12.825 2.085 9.559 1.00 0.00 C ATOM 115 C GLN A 8 -11.518 1.492 9.043 1.00 0.00 C ATOM 116 O GLN A 8 -11.310 1.378 7.837 1.00 0.00 O ATOM 117 CB GLN A 8 -12.612 3.560 9.902 1.00 0.00 C ATOM 118 CG GLN A 8 -13.930 4.172 10.383 1.00 0.00 C ATOM 119 CD GLN A 8 -14.948 4.184 9.248 1.00 0.00 C ATOM 120 OE1 GLN A 8 -16.138 3.686 9.445 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 -14.653 4.664 8.154 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.480 1.955 11.549 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.584 1.994 8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.851 3.657 10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.248 4.098 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.320 3.600 11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.759 5.188 10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.722 5.053 8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.339 4.673 7.399 1.00 0.00 H new ATOM 130 N GLU A 9 -10.639 1.120 9.962 1.00 0.00 N ATOM 131 CA GLU A 9 -9.356 0.536 9.583 1.00 0.00 C ATOM 132 C GLU A 9 -9.547 -0.866 9.006 1.00 0.00 C ATOM 133 O GLU A 9 -8.802 -1.291 8.121 1.00 0.00 O ATOM 134 CB GLU A 9 -8.435 0.472 10.801 1.00 0.00 C ATOM 135 CG GLU A 9 -7.058 -0.046 10.378 1.00 0.00 C ATOM 136 CD GLU A 9 -6.117 -0.065 11.576 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.600 0.098 12.685 1.00 0.00 O ATOM 138 OE2 GLU A 9 -4.929 -0.243 11.368 1.00 0.00 O ATOM 0 H GLU A 9 -10.786 1.210 10.967 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.904 1.167 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.340 1.461 11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.864 -0.183 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.150 -1.049 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.647 0.589 9.593 1.00 0.00 H new ATOM 145 N LEU A 10 -10.539 -1.580 9.522 1.00 0.00 N ATOM 146 CA LEU A 10 -10.820 -2.937 9.064 1.00 0.00 C ATOM 147 C LEU A 10 -11.433 -2.932 7.670 1.00 0.00 C ATOM 148 O LEU A 10 -11.409 -3.944 6.969 1.00 0.00 O ATOM 149 CB LEU A 10 -11.758 -3.640 10.044 1.00 0.00 C ATOM 150 CG LEU A 10 -11.038 -3.845 11.390 1.00 0.00 C ATOM 151 CD1 LEU A 10 -12.038 -4.367 12.426 1.00 0.00 C ATOM 152 CD2 LEU A 10 -9.870 -4.849 11.238 1.00 0.00 C ATOM 0 H LEU A 10 -11.162 -1.244 10.256 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.875 -3.479 9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.660 -3.046 10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.071 -4.602 9.637 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.630 -2.890 11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.531 -4.513 13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.844 -3.644 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.452 -5.316 12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.375 -4.979 12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.257 -5.809 10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.154 -4.467 10.510 1.00 0.00 H new ATOM 164 N LYS A 11 -11.984 -1.793 7.276 1.00 0.00 N ATOM 165 CA LYS A 11 -12.605 -1.681 5.964 1.00 0.00 C ATOM 166 C LYS A 11 -11.600 -2.008 4.867 1.00 0.00 C ATOM 167 O LYS A 11 -11.942 -2.655 3.877 1.00 0.00 O ATOM 168 CB LYS A 11 -13.150 -0.265 5.754 1.00 0.00 C ATOM 169 CG LYS A 11 -14.361 -0.040 6.662 1.00 0.00 C ATOM 170 CD LYS A 11 -14.967 1.334 6.377 1.00 0.00 C ATOM 171 CE LYS A 11 -16.170 1.562 7.293 1.00 0.00 C ATOM 172 NZ LYS A 11 -16.760 2.901 7.013 1.00 0.00 N ATOM 0 H LYS A 11 -12.014 -0.942 7.838 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.428 -2.394 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.376 0.470 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.434 -0.125 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.105 -0.819 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.061 -0.107 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.221 2.112 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.274 1.398 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.916 0.783 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.863 1.499 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.837 3.439 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.150 3.417 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.706 2.783 6.596 1.00 0.00 H new ATOM 186 N GLU A 12 -10.362 -1.565 5.047 1.00 0.00 N ATOM 187 CA GLU A 12 -9.320 -1.829 4.062 1.00 0.00 C ATOM 188 C GLU A 12 -9.062 -3.329 3.942 1.00 0.00 C ATOM 189 O GLU A 12 -8.881 -3.851 2.843 1.00 0.00 O ATOM 190 CB GLU A 12 -8.029 -1.115 4.467 1.00 0.00 C ATOM 191 CG GLU A 12 -8.210 0.396 4.311 1.00 0.00 C ATOM 192 CD GLU A 12 -6.971 1.124 4.823 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.033 0.451 5.219 1.00 0.00 O ATOM 194 OE2 GLU A 12 -6.980 2.344 4.813 1.00 0.00 O ATOM 0 H GLU A 12 -10.056 -1.026 5.858 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.655 -1.453 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.776 -1.357 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.201 -1.459 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.381 0.644 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.090 0.725 4.864 1.00 0.00 H new ATOM 201 N ARG A 13 -9.050 -4.015 5.080 1.00 0.00 N ATOM 202 CA ARG A 13 -8.817 -5.456 5.092 1.00 0.00 C ATOM 203 C ARG A 13 -10.013 -6.197 4.501 1.00 0.00 C ATOM 204 O ARG A 13 -9.856 -7.181 3.780 1.00 0.00 O ATOM 205 CB ARG A 13 -8.572 -5.932 6.524 1.00 0.00 C ATOM 206 CG ARG A 13 -7.210 -5.425 7.004 1.00 0.00 C ATOM 207 CD ARG A 13 -7.033 -5.764 8.483 1.00 0.00 C ATOM 208 NE ARG A 13 -7.031 -7.210 8.676 1.00 0.00 N ATOM 209 CZ ARG A 13 -7.069 -7.739 9.895 1.00 0.00 C ATOM 210 NH1 ARG A 13 -7.108 -6.963 10.943 1.00 0.00 N ATOM 211 NH2 ARG A 13 -7.065 -9.036 10.042 1.00 0.00 N ATOM 0 H ARG A 13 -9.198 -3.601 6.000 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.938 -5.670 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.361 -5.565 7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.603 -7.021 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.413 -5.881 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.138 -4.348 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.098 -5.340 8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.838 -5.314 9.065 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.000 -7.825 7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.109 -5.950 10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.137 -7.370 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.033 -9.642 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.094 -9.443 10.977 1.00 0.00 H new ATOM 225 N ALA A 14 -11.211 -5.716 4.816 1.00 0.00 N ATOM 226 CA ALA A 14 -12.433 -6.334 4.316 1.00 0.00 C ATOM 227 C ALA A 14 -12.656 -5.977 2.850 1.00 0.00 C ATOM 228 O ALA A 14 -13.537 -6.532 2.194 1.00 0.00 O ATOM 229 CB ALA A 14 -13.634 -5.880 5.145 1.00 0.00 C ATOM 0 H ALA A 14 -11.361 -4.903 5.413 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.327 -7.415 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.540 -6.349 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.489 -6.170 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.732 -4.796 5.081 1.00 0.00 H new ATOM 235 N LYS A 15 -11.857 -5.043 2.345 1.00 0.00 N ATOM 236 CA LYS A 15 -11.985 -4.613 0.956 1.00 0.00 C ATOM 237 C LYS A 15 -11.787 -5.792 0.008 1.00 0.00 C ATOM 238 O LYS A 15 -12.508 -5.932 -0.980 1.00 0.00 O ATOM 239 CB LYS A 15 -10.946 -3.532 0.645 1.00 0.00 C ATOM 240 CG LYS A 15 -11.164 -2.999 -0.770 1.00 0.00 C ATOM 241 CD LYS A 15 -10.148 -1.894 -1.058 1.00 0.00 C ATOM 242 CE LYS A 15 -10.378 -1.354 -2.466 1.00 0.00 C ATOM 243 NZ LYS A 15 -9.410 -0.254 -2.746 1.00 0.00 N ATOM 0 H LYS A 15 -11.120 -4.573 2.870 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.987 -4.209 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.026 -2.719 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.941 -3.943 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.056 -3.806 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.178 -2.612 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.249 -1.092 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.134 -2.283 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.257 -2.153 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.399 -0.986 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.569 0.112 -3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.546 0.512 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.439 -0.619 -2.671 1.00 0.00 H new ATOM 257 N VAL A 16 -10.808 -6.634 0.312 1.00 0.00 N ATOM 258 CA VAL A 16 -10.527 -7.796 -0.523 1.00 0.00 C ATOM 259 C VAL A 16 -11.562 -8.889 -0.291 1.00 0.00 C ATOM 260 O VAL A 16 -11.765 -9.754 -1.143 1.00 0.00 O ATOM 261 CB VAL A 16 -9.132 -8.340 -0.210 1.00 0.00 C ATOM 262 CG1 VAL A 16 -8.074 -7.383 -0.764 1.00 0.00 C ATOM 263 CG2 VAL A 16 -8.961 -8.466 1.309 1.00 0.00 C ATOM 0 H VAL A 16 -10.199 -6.536 1.124 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.572 -7.486 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.013 -9.320 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.080 -7.771 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.194 -7.293 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.193 -6.403 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.967 -8.854 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.081 -7.486 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.714 -9.148 1.705 1.00 0.00 H new ATOM 273 N PHE A 17 -12.217 -8.846 0.868 1.00 0.00 N ATOM 274 CA PHE A 17 -13.236 -9.842 1.205 1.00 0.00 C ATOM 275 C PHE A 17 -14.628 -9.296 0.913 1.00 0.00 C ATOM 276 O PHE A 17 -14.877 -8.099 1.051 1.00 0.00 O ATOM 277 CB PHE A 17 -13.134 -10.211 2.686 1.00 0.00 C ATOM 278 CG PHE A 17 -11.881 -11.024 2.914 1.00 0.00 C ATOM 279 CD1 PHE A 17 -11.806 -12.339 2.438 1.00 0.00 C ATOM 280 CD2 PHE A 17 -10.794 -10.467 3.601 1.00 0.00 C ATOM 281 CE1 PHE A 17 -10.648 -13.096 2.649 1.00 0.00 C ATOM 282 CE2 PHE A 17 -9.637 -11.224 3.812 1.00 0.00 C ATOM 283 CZ PHE A 17 -9.563 -12.539 3.336 1.00 0.00 C ATOM 0 H PHE A 17 -12.063 -8.138 1.586 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.068 -10.730 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.111 -9.308 3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.011 -10.781 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.643 -12.769 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.850 -9.453 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.591 -14.110 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.800 -10.794 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.669 -13.123 3.499 1.00 0.00 H new ATOM 293 N ALA A 18 -15.532 -10.179 0.501 1.00 0.00 N ATOM 294 CA ALA A 18 -16.900 -9.772 0.183 1.00 0.00 C ATOM 295 C ALA A 18 -17.862 -10.923 0.405 1.00 0.00 C ATOM 296 O ALA A 18 -18.364 -11.525 -0.546 1.00 0.00 O ATOM 297 CB ALA A 18 -16.987 -9.320 -1.269 1.00 0.00 C ATOM 0 H ALA A 18 -15.346 -11.175 0.379 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.172 -8.946 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.010 -9.019 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.317 -8.475 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.697 -10.142 -1.924 1.00 0.00 H new ATOM 303 N LYS A 19 -18.107 -11.230 1.670 1.00 0.00 N ATOM 304 CA LYS A 19 -19.002 -12.326 2.031 1.00 0.00 C ATOM 305 C LYS A 19 -20.434 -11.809 2.198 1.00 0.00 C ATOM 306 O LYS A 19 -20.660 -10.600 2.294 1.00 0.00 O ATOM 307 CB LYS A 19 -18.526 -13.017 3.344 1.00 0.00 C ATOM 308 CG LYS A 19 -17.447 -12.173 4.022 1.00 0.00 C ATOM 309 CD LYS A 19 -18.068 -10.853 4.509 1.00 0.00 C ATOM 310 CE LYS A 19 -16.972 -9.804 4.687 1.00 0.00 C ATOM 311 NZ LYS A 19 -15.765 -10.457 5.262 1.00 0.00 N ATOM 0 H LYS A 19 -17.700 -10.738 2.465 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.983 -13.062 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.371 -13.152 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.135 -14.010 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.017 -12.718 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.635 -11.971 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.808 -10.501 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.590 -11.012 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.731 -9.345 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.318 -9.006 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.114 -9.729 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.048 -11.084 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.288 -11.015 4.525 1.00 0.00 H new ATOM 325 N PRO A 20 -21.393 -12.702 2.248 1.00 0.00 N ATOM 326 CA PRO A 20 -22.830 -12.325 2.427 1.00 0.00 C ATOM 327 C PRO A 20 -23.061 -11.524 3.710 1.00 0.00 C ATOM 328 O PRO A 20 -22.378 -11.724 4.715 1.00 0.00 O ATOM 329 CB PRO A 20 -23.564 -13.682 2.484 1.00 0.00 C ATOM 330 CG PRO A 20 -22.638 -14.664 1.843 1.00 0.00 C ATOM 331 CD PRO A 20 -21.227 -14.165 2.127 1.00 0.00 C ATOM 0 HA PRO A 20 -23.185 -11.679 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -23.786 -13.965 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -24.515 -13.636 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -22.787 -15.664 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -22.820 -14.728 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -20.825 -14.600 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -20.540 -14.425 1.322 1.00 0.00 H new ATOM 339 N ILE A 21 -24.032 -10.619 3.664 1.00 0.00 N ATOM 340 CA ILE A 21 -24.353 -9.795 4.823 1.00 0.00 C ATOM 341 C ILE A 21 -25.109 -10.613 5.862 1.00 0.00 C ATOM 342 O ILE A 21 -26.056 -11.330 5.536 1.00 0.00 O ATOM 343 CB ILE A 21 -25.204 -8.598 4.397 1.00 0.00 C ATOM 344 CG1 ILE A 21 -24.566 -7.929 3.174 1.00 0.00 C ATOM 345 CG2 ILE A 21 -25.287 -7.591 5.546 1.00 0.00 C ATOM 346 CD1 ILE A 21 -23.095 -7.594 3.457 1.00 0.00 C ATOM 0 H ILE A 21 -24.608 -10.438 2.842 1.00 0.00 H new ATOM 0 HA ILE A 21 -23.421 -9.437 5.261 1.00 0.00 H new ATOM 0 HB ILE A 21 -26.208 -8.939 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -24.636 -8.591 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -25.111 -7.019 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -25.894 -6.739 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -25.742 -8.067 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -24.285 -7.249 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -22.655 -7.120 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -23.034 -6.914 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -22.551 -8.510 3.685 1.00 0.00 H new ATOM 358 N GLY A 22 -24.677 -10.504 7.116 1.00 0.00 N ATOM 359 CA GLY A 22 -25.313 -11.239 8.206 1.00 0.00 C ATOM 360 C GLY A 22 -24.692 -12.623 8.363 1.00 0.00 C ATOM 361 O GLY A 22 -25.075 -13.568 7.674 1.00 0.00 O ATOM 0 H GLY A 22 -23.893 -9.917 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.208 -10.681 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.381 -11.335 8.011 1.00 0.00 H new ATOM 365 N ALA A 23 -23.730 -12.732 9.275 1.00 0.00 N ATOM 366 CA ALA A 23 -23.061 -14.004 9.517 1.00 0.00 C ATOM 367 C ALA A 23 -22.278 -13.957 10.825 1.00 0.00 C ATOM 368 O ALA A 23 -22.445 -13.037 11.627 1.00 0.00 O ATOM 369 CB ALA A 23 -22.108 -14.321 8.363 1.00 0.00 C ATOM 0 H ALA A 23 -23.399 -11.960 9.854 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.819 -14.784 9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.612 -15.273 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.672 -14.384 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.360 -13.532 8.282 1.00 0.00 H new ATOM 375 N SER A 24 -21.426 -14.955 11.037 1.00 0.00 N ATOM 376 CA SER A 24 -20.624 -15.017 12.254 1.00 0.00 C ATOM 377 C SER A 24 -19.455 -14.040 12.175 1.00 0.00 C ATOM 378 O SER A 24 -18.904 -13.635 13.198 1.00 0.00 O ATOM 379 CB SER A 24 -20.092 -16.437 12.454 1.00 0.00 C ATOM 380 OG SER A 24 -21.161 -17.289 12.847 1.00 0.00 O ATOM 0 H SER A 24 -21.274 -15.726 10.387 1.00 0.00 H new ATOM 0 HA SER A 24 -21.255 -14.742 13.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.641 -16.802 11.531 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.310 -16.441 13.214 1.00 0.00 H new ATOM 0 HG SER A 24 -20.823 -18.200 12.974 1.00 0.00 H new ATOM 386 N TYR A 25 -19.082 -13.668 10.956 1.00 0.00 N ATOM 387 CA TYR A 25 -17.978 -12.738 10.755 1.00 0.00 C ATOM 388 C TYR A 25 -18.374 -11.334 11.201 1.00 0.00 C ATOM 389 O TYR A 25 -17.563 -10.599 11.765 1.00 0.00 O ATOM 390 CB TYR A 25 -17.573 -12.714 9.281 1.00 0.00 C ATOM 391 CG TYR A 25 -16.465 -11.708 9.078 1.00 0.00 C ATOM 392 CD1 TYR A 25 -15.132 -12.085 9.284 1.00 0.00 C ATOM 393 CD2 TYR A 25 -16.771 -10.400 8.686 1.00 0.00 C ATOM 394 CE1 TYR A 25 -14.104 -11.152 9.096 1.00 0.00 C ATOM 395 CE2 TYR A 25 -15.743 -9.468 8.499 1.00 0.00 C ATOM 396 CZ TYR A 25 -14.410 -9.844 8.704 1.00 0.00 C ATOM 397 OH TYR A 25 -13.397 -8.925 8.519 1.00 0.00 O ATOM 0 H TYR A 25 -19.525 -13.994 10.097 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.132 -13.073 11.355 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -17.241 -13.704 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.432 -12.455 8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.897 -13.094 9.588 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -17.799 -10.110 8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.076 -11.442 9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.978 -8.458 8.196 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.781 -8.065 8.247 1.00 0.00 H new ATOM 407 N GLN A 26 -19.623 -10.967 10.939 1.00 0.00 N ATOM 408 CA GLN A 26 -20.115 -9.645 11.311 1.00 0.00 C ATOM 409 C GLN A 26 -20.108 -9.482 12.829 1.00 0.00 C ATOM 410 O GLN A 26 -19.946 -8.375 13.342 1.00 0.00 O ATOM 411 CB GLN A 26 -21.538 -9.447 10.781 1.00 0.00 C ATOM 412 CG GLN A 26 -21.954 -7.983 10.955 1.00 0.00 C ATOM 413 CD GLN A 26 -21.134 -7.096 10.024 1.00 0.00 C ATOM 414 OE1 GLN A 26 -20.368 -6.250 10.487 1.00 0.00 O ATOM 415 NE2 GLN A 26 -21.246 -7.242 8.733 1.00 0.00 N ATOM 0 H GLN A 26 -20.310 -11.561 10.474 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.458 -8.895 10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.587 -9.726 9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.230 -10.098 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.016 -7.869 10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.806 -7.674 11.990 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -21.881 -7.943 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -20.698 -6.655 8.104 1.00 0.00 H new ATOM 424 N GLY A 27 -20.287 -10.590 13.539 1.00 0.00 N ATOM 425 CA GLY A 27 -20.300 -10.557 14.997 1.00 0.00 C ATOM 426 C GLY A 27 -18.961 -10.074 15.543 1.00 0.00 C ATOM 427 O GLY A 27 -18.906 -9.395 16.570 1.00 0.00 O ATOM 0 H GLY A 27 -20.424 -11.516 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.097 -9.898 15.343 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.518 -11.552 15.385 1.00 0.00 H new ATOM 431 N ILE A 28 -17.883 -10.426 14.851 1.00 0.00 N ATOM 432 CA ILE A 28 -16.549 -10.022 15.276 1.00 0.00 C ATOM 433 C ILE A 28 -16.361 -8.524 15.085 1.00 0.00 C ATOM 434 O ILE A 28 -15.540 -7.903 15.760 1.00 0.00 O ATOM 435 CB ILE A 28 -15.491 -10.777 14.469 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.566 -12.267 14.806 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.098 -10.249 14.823 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.741 -13.063 13.795 1.00 0.00 C ATOM 0 H ILE A 28 -17.906 -10.986 13.999 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.437 -10.261 16.333 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.675 -10.629 13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.191 -12.441 15.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.603 -12.602 14.789 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.347 -10.789 14.246 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.041 -9.186 14.588 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.913 -10.395 15.887 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -14.795 -14.125 14.036 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.136 -12.898 12.793 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.702 -12.735 13.834 1.00 0.00 H new ATOM 450 N LEU A 29 -17.116 -7.946 14.154 1.00 0.00 N ATOM 451 CA LEU A 29 -17.013 -6.518 13.880 1.00 0.00 C ATOM 452 C LEU A 29 -18.014 -5.738 14.724 1.00 0.00 C ATOM 453 O LEU A 29 -17.693 -4.682 15.267 1.00 0.00 O ATOM 454 CB LEU A 29 -17.290 -6.257 12.396 1.00 0.00 C ATOM 455 CG LEU A 29 -16.925 -4.803 12.049 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.397 -4.598 12.136 1.00 0.00 C ATOM 457 CD2 LEU A 29 -17.411 -4.480 10.629 1.00 0.00 C ATOM 0 H LEU A 29 -17.800 -8.441 13.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.005 -6.188 14.132 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.709 -6.945 11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.341 -6.441 12.174 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.408 -4.135 12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.154 -3.565 11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.057 -4.818 13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.900 -5.267 11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -17.153 -3.450 10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.933 -5.154 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.492 -4.606 10.577 1.00 0.00 H new ATOM 469 N ASP A 30 -19.229 -6.262 14.830 1.00 0.00 N ATOM 470 CA ASP A 30 -20.263 -5.597 15.613 1.00 0.00 C ATOM 471 C ASP A 30 -19.830 -5.460 17.067 1.00 0.00 C ATOM 472 O ASP A 30 -19.917 -4.379 17.642 1.00 0.00 O ATOM 473 CB ASP A 30 -21.563 -6.403 15.540 1.00 0.00 C ATOM 474 CG ASP A 30 -22.181 -6.278 14.152 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.752 -5.411 13.410 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.075 -7.053 13.851 1.00 0.00 O ATOM 0 H ASP A 30 -19.520 -7.135 14.390 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.424 -4.601 15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.363 -7.451 15.764 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.265 -6.044 16.293 1.00 0.00 H new ATOM 481 N GLN A 31 -19.362 -6.559 17.652 1.00 0.00 N ATOM 482 CA GLN A 31 -18.922 -6.547 19.041 1.00 0.00 C ATOM 483 C GLN A 31 -17.700 -5.655 19.198 1.00 0.00 C ATOM 484 O GLN A 31 -17.441 -5.124 20.276 1.00 0.00 O ATOM 485 CB GLN A 31 -18.590 -7.970 19.498 1.00 0.00 C ATOM 486 CG GLN A 31 -18.319 -7.975 21.001 1.00 0.00 C ATOM 487 CD GLN A 31 -18.218 -9.410 21.505 1.00 0.00 C ATOM 488 OE1 GLN A 31 -18.140 -10.346 20.709 1.00 0.00 O ATOM 489 NE2 GLN A 31 -18.232 -9.641 22.788 1.00 0.00 N ATOM 0 H GLN A 31 -19.278 -7.463 17.188 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.728 -6.153 19.660 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.418 -8.640 19.265 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.718 -8.342 18.960 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.394 -7.439 21.214 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -19.119 -7.452 21.525 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.297 -8.864 23.445 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.178 -10.599 23.134 1.00 0.00 H new ATOM 498 N LEU A 32 -16.951 -5.493 18.116 1.00 0.00 N ATOM 499 CA LEU A 32 -15.758 -4.663 18.152 1.00 0.00 C ATOM 500 C LEU A 32 -16.120 -3.230 18.524 1.00 0.00 C ATOM 501 O LEU A 32 -15.424 -2.586 19.304 1.00 0.00 O ATOM 502 CB LEU A 32 -15.070 -4.676 16.782 1.00 0.00 C ATOM 503 CG LEU A 32 -13.617 -4.188 16.917 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.708 -5.318 17.424 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.108 -3.707 15.555 1.00 0.00 C ATOM 0 H LEU A 32 -17.147 -5.921 17.211 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.079 -5.065 18.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.087 -5.684 16.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.614 -4.036 16.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.595 -3.368 17.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.686 -4.951 17.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.057 -5.656 18.400 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.735 -6.150 16.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.079 -3.362 15.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.149 -4.529 14.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.734 -2.887 15.201 1.00 0.00 H new ATOM 517 N ASP A 33 -17.210 -2.738 17.956 1.00 0.00 N ATOM 518 CA ASP A 33 -17.656 -1.380 18.237 1.00 0.00 C ATOM 519 C ASP A 33 -17.985 -1.228 19.719 1.00 0.00 C ATOM 520 O ASP A 33 -17.727 -0.185 20.321 1.00 0.00 O ATOM 521 CB ASP A 33 -18.889 -1.054 17.393 1.00 0.00 C ATOM 522 CG ASP A 33 -19.383 0.351 17.724 1.00 0.00 C ATOM 523 OD1 ASP A 33 -18.663 1.065 18.403 1.00 0.00 O ATOM 524 OD2 ASP A 33 -20.471 0.693 17.292 1.00 0.00 O ATOM 0 H ASP A 33 -17.799 -3.253 17.302 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.854 -0.686 17.983 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.645 -1.123 16.333 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.677 -1.782 17.587 1.00 0.00 H new ATOM 529 N LEU A 34 -18.554 -2.278 20.300 1.00 0.00 N ATOM 530 CA LEU A 34 -18.912 -2.265 21.714 1.00 0.00 C ATOM 531 C LEU A 34 -17.666 -2.150 22.584 1.00 0.00 C ATOM 532 O LEU A 34 -17.681 -1.485 23.612 1.00 0.00 O ATOM 533 CB LEU A 34 -19.693 -3.540 22.077 1.00 0.00 C ATOM 534 CG LEU A 34 -21.176 -3.356 21.747 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.331 -3.063 20.258 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.933 -4.634 22.101 1.00 0.00 C ATOM 0 H LEU A 34 -18.777 -3.147 19.815 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.545 -1.397 21.899 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.292 -4.391 21.527 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.572 -3.761 23.138 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.581 -2.523 22.322 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.387 -2.932 20.021 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.787 -2.152 20.008 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.930 -3.895 19.680 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.990 -4.507 21.867 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.531 -5.467 21.524 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.819 -4.842 23.165 1.00 0.00 H new ATOM 548 N VAL A 35 -16.595 -2.812 22.170 1.00 0.00 N ATOM 549 CA VAL A 35 -15.357 -2.784 22.938 1.00 0.00 C ATOM 550 C VAL A 35 -14.917 -1.347 23.194 1.00 0.00 C ATOM 551 O VAL A 35 -14.222 -1.068 24.172 1.00 0.00 O ATOM 552 CB VAL A 35 -14.256 -3.525 22.174 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.924 -3.379 22.913 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.617 -5.007 22.066 1.00 0.00 C ATOM 0 H VAL A 35 -16.557 -3.369 21.317 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.533 -3.274 23.895 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.163 -3.098 21.176 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.144 -3.908 22.365 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.663 -2.323 22.987 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.015 -3.802 23.914 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.833 -5.534 21.522 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.714 -5.432 23.065 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.562 -5.113 21.534 1.00 0.00 H new ATOM 564 N HIS A 36 -15.323 -0.439 22.315 1.00 0.00 N ATOM 565 CA HIS A 36 -14.961 0.966 22.465 1.00 0.00 C ATOM 566 C HIS A 36 -15.890 1.667 23.452 1.00 0.00 C ATOM 567 O HIS A 36 -15.437 2.399 24.332 1.00 0.00 O ATOM 568 CB HIS A 36 -15.043 1.667 21.109 1.00 0.00 C ATOM 569 CG HIS A 36 -13.932 1.176 20.223 1.00 0.00 C ATOM 570 ND1 HIS A 36 -14.055 0.038 19.445 1.00 0.00 N ATOM 571 CD2 HIS A 36 -12.670 1.661 19.982 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.898 -0.126 18.778 1.00 0.00 C ATOM 573 NE2 HIS A 36 -12.019 0.837 19.070 1.00 0.00 N ATOM 0 H HIS A 36 -15.898 -0.647 21.498 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.942 1.017 22.849 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -16.008 1.469 20.643 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.968 2.746 21.240 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.874 -0.567 19.388 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.247 2.547 20.432 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.704 -0.936 18.091 1.00 0.00 H new ATOM 581 N GLN A 37 -17.191 1.441 23.298 1.00 0.00 N ATOM 582 CA GLN A 37 -18.181 2.055 24.179 1.00 0.00 C ATOM 583 C GLN A 37 -18.426 1.185 25.410 1.00 0.00 C ATOM 584 O GLN A 37 -19.180 1.564 26.307 1.00 0.00 O ATOM 585 CB GLN A 37 -19.495 2.258 23.423 1.00 0.00 C ATOM 586 CG GLN A 37 -19.291 3.300 22.320 1.00 0.00 C ATOM 587 CD GLN A 37 -20.589 3.497 21.543 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.651 3.670 22.141 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.567 3.480 20.238 1.00 0.00 N ATOM 0 H GLN A 37 -17.584 0.839 22.574 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.796 3.021 24.507 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.828 1.315 22.990 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.275 2.587 24.109 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -18.972 4.246 22.757 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -18.499 2.977 21.645 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -19.686 3.337 19.745 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -21.431 3.610 19.712 1.00 0.00 H new ATOM 598 N ALA A 38 -17.790 0.018 25.444 1.00 0.00 N ATOM 599 CA ALA A 38 -17.950 -0.896 26.566 1.00 0.00 C ATOM 600 C ALA A 38 -17.227 -0.366 27.801 1.00 0.00 C ATOM 601 O ALA A 38 -16.141 0.204 27.701 1.00 0.00 O ATOM 602 CB ALA A 38 -17.395 -2.274 26.198 1.00 0.00 C ATOM 0 H ALA A 38 -17.163 -0.314 24.711 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.013 -0.980 26.793 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.518 -2.953 27.042 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.935 -2.665 25.336 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.336 -2.187 25.954 1.00 0.00 H new ATOM 608 N LYS A 39 -17.837 -0.563 28.963 1.00 0.00 N ATOM 609 CA LYS A 39 -17.246 -0.105 30.215 1.00 0.00 C ATOM 610 C LYS A 39 -16.106 -1.015 30.632 1.00 0.00 C ATOM 611 O LYS A 39 -15.843 -2.022 29.985 1.00 0.00 O ATOM 612 CB LYS A 39 -18.309 -0.074 31.315 1.00 0.00 C ATOM 613 CG LYS A 39 -19.620 0.553 30.766 1.00 0.00 C ATOM 614 CD LYS A 39 -20.661 -0.543 30.519 1.00 0.00 C ATOM 615 CE LYS A 39 -21.942 0.087 29.984 1.00 0.00 C ATOM 616 NZ LYS A 39 -21.693 0.618 28.614 1.00 0.00 N ATOM 0 H LYS A 39 -18.736 -1.034 29.065 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.854 0.901 30.063 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.502 -1.085 31.675 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.948 0.504 32.166 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -20.009 1.282 31.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.416 1.088 29.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.276 -1.272 29.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.866 -1.080 31.445 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.742 -0.652 29.960 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.269 0.890 30.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.600 0.751 28.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.198 1.530 28.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.107 -0.056 28.082 1.00 0.00 H new ATOM 630 N GLY A 40 -15.436 -0.661 31.716 1.00 0.00 N ATOM 631 CA GLY A 40 -14.322 -1.463 32.196 1.00 0.00 C ATOM 632 C GLY A 40 -14.737 -2.917 32.394 1.00 0.00 C ATOM 633 O GLY A 40 -14.011 -3.833 32.012 1.00 0.00 O ATOM 0 H GLY A 40 -15.640 0.167 32.275 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.499 -1.410 31.484 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.955 -1.055 33.138 1.00 0.00 H new ATOM 637 N ARG A 41 -15.902 -3.124 32.996 1.00 0.00 N ATOM 638 CA ARG A 41 -16.391 -4.477 33.240 1.00 0.00 C ATOM 639 C ARG A 41 -16.899 -5.111 31.947 1.00 0.00 C ATOM 640 O ARG A 41 -16.579 -6.259 31.636 1.00 0.00 O ATOM 641 CB ARG A 41 -17.532 -4.426 34.254 1.00 0.00 C ATOM 642 CG ARG A 41 -17.044 -3.743 35.531 1.00 0.00 C ATOM 643 CD ARG A 41 -18.233 -3.497 36.457 1.00 0.00 C ATOM 644 NE ARG A 41 -18.761 -4.762 36.960 1.00 0.00 N ATOM 645 CZ ARG A 41 -18.237 -5.349 38.033 1.00 0.00 C ATOM 646 NH1 ARG A 41 -17.233 -4.795 38.656 1.00 0.00 N ATOM 647 NH2 ARG A 41 -18.728 -6.479 38.463 1.00 0.00 N ATOM 0 H ARG A 41 -16.521 -2.381 33.322 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.569 -5.079 33.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.379 -3.881 33.838 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.880 -5.434 34.478 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.302 -4.367 36.030 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.556 -2.799 35.289 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.927 -2.867 37.292 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.014 -2.958 35.920 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.545 -5.204 36.480 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.849 -3.911 38.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.832 -5.246 39.478 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.513 -6.912 37.977 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.327 -6.929 39.285 1.00 0.00 H new ATOM 661 N ASP A 42 -17.699 -4.355 31.201 1.00 0.00 N ATOM 662 CA ASP A 42 -18.259 -4.847 29.946 1.00 0.00 C ATOM 663 C ASP A 42 -17.163 -5.070 28.910 1.00 0.00 C ATOM 664 O ASP A 42 -17.271 -5.952 28.058 1.00 0.00 O ATOM 665 CB ASP A 42 -19.284 -3.850 29.408 1.00 0.00 C ATOM 666 CG ASP A 42 -20.125 -4.506 28.311 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.097 -5.724 28.216 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.783 -3.782 27.581 1.00 0.00 O ATOM 0 H ASP A 42 -17.973 -3.403 31.442 1.00 0.00 H new ATOM 0 HA ASP A 42 -18.748 -5.802 30.141 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.929 -3.507 30.217 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.776 -2.971 29.012 1.00 0.00 H new ATOM 673 N GLN A 43 -16.113 -4.263 28.988 1.00 0.00 N ATOM 674 CA GLN A 43 -15.006 -4.375 28.047 1.00 0.00 C ATOM 675 C GLN A 43 -14.300 -5.718 28.211 1.00 0.00 C ATOM 676 O GLN A 43 -13.865 -6.326 27.234 1.00 0.00 O ATOM 677 CB GLN A 43 -14.003 -3.238 28.276 1.00 0.00 C ATOM 678 CG GLN A 43 -12.866 -3.341 27.262 1.00 0.00 C ATOM 679 CD GLN A 43 -11.933 -2.144 27.403 1.00 0.00 C ATOM 680 OE1 GLN A 43 -12.303 -1.133 27.999 1.00 0.00 O ATOM 681 NE2 GLN A 43 -10.737 -2.200 26.887 1.00 0.00 N ATOM 0 H GLN A 43 -16.004 -3.529 29.688 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.406 -4.306 27.035 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.503 -2.274 28.179 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.605 -3.290 29.289 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.311 -4.266 27.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.271 -3.380 26.251 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.433 -3.039 26.394 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.105 -1.404 26.977 1.00 0.00 H new ATOM 690 N ILE A 44 -14.191 -6.173 29.451 1.00 0.00 N ATOM 691 CA ILE A 44 -13.536 -7.447 29.734 1.00 0.00 C ATOM 692 C ILE A 44 -14.322 -8.599 29.111 1.00 0.00 C ATOM 693 O ILE A 44 -13.744 -9.505 28.513 1.00 0.00 O ATOM 694 CB ILE A 44 -13.428 -7.658 31.248 1.00 0.00 C ATOM 695 CG1 ILE A 44 -12.444 -6.642 31.832 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.922 -9.077 31.537 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.575 -6.623 33.355 1.00 0.00 C ATOM 0 H ILE A 44 -14.544 -5.685 30.274 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.536 -7.425 29.301 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.410 -7.524 31.703 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.424 -6.902 31.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.645 -5.650 31.427 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.846 -9.224 32.614 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.619 -9.804 31.120 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.941 -9.213 31.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.874 -5.899 33.771 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.592 -6.343 33.629 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.352 -7.614 33.752 1.00 0.00 H new ATOM 709 N ALA A 45 -15.642 -8.557 29.258 1.00 0.00 N ATOM 710 CA ALA A 45 -16.491 -9.607 28.707 1.00 0.00 C ATOM 711 C ALA A 45 -16.301 -9.714 27.197 1.00 0.00 C ATOM 712 O ALA A 45 -16.243 -10.814 26.645 1.00 0.00 O ATOM 713 CB ALA A 45 -17.958 -9.305 29.021 1.00 0.00 C ATOM 0 H ALA A 45 -16.143 -7.816 29.748 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.209 -10.556 29.163 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.588 -10.092 28.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.097 -9.259 30.101 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.235 -8.348 28.579 1.00 0.00 H new ATOM 719 N ALA A 46 -16.199 -8.566 26.534 1.00 0.00 N ATOM 720 CA ALA A 46 -16.008 -8.536 25.092 1.00 0.00 C ATOM 721 C ALA A 46 -14.683 -9.183 24.725 1.00 0.00 C ATOM 722 O ALA A 46 -14.577 -9.876 23.717 1.00 0.00 O ATOM 723 CB ALA A 46 -16.039 -7.092 24.593 1.00 0.00 C ATOM 0 H ALA A 46 -16.246 -7.647 26.974 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.815 -9.095 24.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.895 -7.077 23.513 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.002 -6.643 24.837 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.242 -6.524 25.073 1.00 0.00 H new ATOM 729 N SER A 47 -13.671 -8.952 25.547 1.00 0.00 N ATOM 730 CA SER A 47 -12.358 -9.517 25.284 1.00 0.00 C ATOM 731 C SER A 47 -12.411 -11.039 25.266 1.00 0.00 C ATOM 732 O SER A 47 -11.793 -11.682 24.418 1.00 0.00 O ATOM 733 CB SER A 47 -11.363 -9.053 26.349 1.00 0.00 C ATOM 734 OG SER A 47 -11.243 -7.637 26.295 1.00 0.00 O ATOM 0 H SER A 47 -13.732 -8.384 26.392 1.00 0.00 H new ATOM 0 HA SER A 47 -12.032 -9.169 24.304 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.700 -9.363 27.338 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.391 -9.518 26.183 1.00 0.00 H new ATOM 0 HG SER A 47 -12.081 -7.226 26.593 1.00 0.00 H new ATOM 740 N PHE A 48 -13.150 -11.607 26.208 1.00 0.00 N ATOM 741 CA PHE A 48 -13.278 -13.055 26.295 1.00 0.00 C ATOM 742 C PHE A 48 -13.921 -13.615 25.031 1.00 0.00 C ATOM 743 O PHE A 48 -13.466 -14.621 24.488 1.00 0.00 O ATOM 744 CB PHE A 48 -14.128 -13.431 27.510 1.00 0.00 C ATOM 745 CG PHE A 48 -14.115 -14.931 27.688 1.00 0.00 C ATOM 746 CD1 PHE A 48 -13.002 -15.556 28.265 1.00 0.00 C ATOM 747 CD2 PHE A 48 -15.214 -15.698 27.282 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.986 -16.945 28.434 1.00 0.00 C ATOM 749 CE2 PHE A 48 -15.199 -17.089 27.451 1.00 0.00 C ATOM 750 CZ PHE A 48 -14.084 -17.711 28.027 1.00 0.00 C ATOM 0 H PHE A 48 -13.668 -11.091 26.919 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.281 -13.482 26.401 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.739 -12.944 28.404 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.151 -13.079 27.375 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.155 -14.965 28.580 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.073 -15.217 26.838 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.127 -17.425 28.878 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.046 -17.681 27.137 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.072 -18.783 28.157 1.00 0.00 H new ATOM 760 N GLU A 49 -14.985 -12.962 24.570 1.00 0.00 N ATOM 761 CA GLU A 49 -15.683 -13.415 23.371 1.00 0.00 C ATOM 762 C GLU A 49 -14.782 -13.278 22.147 1.00 0.00 C ATOM 763 O GLU A 49 -14.632 -14.214 21.364 1.00 0.00 O ATOM 764 CB GLU A 49 -16.956 -12.586 23.174 1.00 0.00 C ATOM 765 CG GLU A 49 -17.809 -13.214 22.073 1.00 0.00 C ATOM 766 CD GLU A 49 -18.406 -14.529 22.564 1.00 0.00 C ATOM 767 OE1 GLU A 49 -18.261 -14.821 23.740 1.00 0.00 O ATOM 768 OE2 GLU A 49 -19.001 -15.226 21.759 1.00 0.00 O ATOM 0 H GLU A 49 -15.379 -12.127 25.003 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.948 -14.465 23.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -17.521 -12.541 24.105 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.698 -11.561 22.908 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.606 -12.529 21.783 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.201 -13.390 21.186 1.00 0.00 H new ATOM 775 N LEU A 50 -14.180 -12.111 21.993 1.00 0.00 N ATOM 776 CA LEU A 50 -13.287 -11.860 20.870 1.00 0.00 C ATOM 777 C LEU A 50 -12.069 -12.763 20.940 1.00 0.00 C ATOM 778 O LEU A 50 -11.534 -13.181 19.916 1.00 0.00 O ATOM 779 CB LEU A 50 -12.865 -10.383 20.848 1.00 0.00 C ATOM 780 CG LEU A 50 -13.874 -9.558 20.023 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.729 -9.879 18.510 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.315 -9.870 20.489 1.00 0.00 C ATOM 0 H LEU A 50 -14.292 -11.322 22.630 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.821 -12.083 19.946 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.812 -9.996 21.866 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.868 -10.288 20.419 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.667 -8.499 20.178 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.448 -9.289 17.942 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.719 -9.635 18.181 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.918 -10.939 18.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.022 -9.284 19.902 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.520 -10.931 20.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.420 -9.615 21.544 1.00 0.00 H new ATOM 794 N ASN A 51 -11.625 -13.044 22.150 1.00 0.00 N ATOM 795 CA ASN A 51 -10.452 -13.879 22.330 1.00 0.00 C ATOM 796 C ASN A 51 -10.631 -15.232 21.650 1.00 0.00 C ATOM 797 O ASN A 51 -9.789 -15.653 20.856 1.00 0.00 O ATOM 798 CB ASN A 51 -10.209 -14.095 23.823 1.00 0.00 C ATOM 799 CG ASN A 51 -9.063 -15.078 24.033 1.00 0.00 C ATOM 800 OD1 ASN A 51 -8.025 -14.712 24.579 1.00 0.00 O ATOM 801 ND2 ASN A 51 -9.193 -16.312 23.626 1.00 0.00 N ATOM 0 H ASN A 51 -12.053 -12.711 23.014 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.599 -13.375 21.877 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.975 -13.144 24.302 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.115 -14.475 24.295 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.431 -16.976 23.761 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.057 -16.611 23.173 1.00 0.00 H new ATOM 808 N LYS A 52 -11.726 -15.907 21.964 1.00 0.00 N ATOM 809 CA LYS A 52 -12.000 -17.209 21.370 1.00 0.00 C ATOM 810 C LYS A 52 -12.273 -17.091 19.876 1.00 0.00 C ATOM 811 O LYS A 52 -11.817 -17.918 19.086 1.00 0.00 O ATOM 812 CB LYS A 52 -13.191 -17.861 22.068 1.00 0.00 C ATOM 813 CG LYS A 52 -14.366 -16.881 22.110 1.00 0.00 C ATOM 814 CD LYS A 52 -15.602 -17.570 22.683 1.00 0.00 C ATOM 815 CE LYS A 52 -15.385 -17.893 24.163 1.00 0.00 C ATOM 816 NZ LYS A 52 -16.698 -18.160 24.804 1.00 0.00 N ATOM 0 H LYS A 52 -12.435 -15.580 22.621 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.116 -17.833 21.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.481 -18.769 21.540 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.915 -18.156 23.080 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.107 -16.016 22.720 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.578 -16.512 21.107 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.474 -16.926 22.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.807 -18.486 22.129 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.734 -18.761 24.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.887 -17.060 24.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.635 -19.026 25.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.955 -17.359 25.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.424 -18.283 24.070 1.00 0.00 H new ATOM 830 N LYS A 53 -13.024 -16.065 19.494 1.00 0.00 N ATOM 831 CA LYS A 53 -13.357 -15.856 18.097 1.00 0.00 C ATOM 832 C LYS A 53 -12.105 -15.591 17.279 1.00 0.00 C ATOM 833 O LYS A 53 -11.929 -16.158 16.203 1.00 0.00 O ATOM 834 CB LYS A 53 -14.325 -14.675 17.957 1.00 0.00 C ATOM 835 CG LYS A 53 -15.723 -15.081 18.420 1.00 0.00 C ATOM 836 CD LYS A 53 -16.673 -13.890 18.266 1.00 0.00 C ATOM 837 CE LYS A 53 -18.095 -14.339 18.584 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.025 -13.180 18.465 1.00 0.00 N ATOM 0 H LYS A 53 -13.411 -15.369 20.132 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.834 -16.761 17.721 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.969 -13.831 18.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.359 -14.345 16.919 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.082 -15.926 17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.694 -15.406 19.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.375 -13.083 18.936 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.621 -13.497 17.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.398 -15.132 17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.140 -14.752 19.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.994 -13.489 18.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.740 -12.436 19.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.990 -12.805 17.495 1.00 0.00 H new ATOM 852 N ILE A 54 -11.233 -14.733 17.793 1.00 0.00 N ATOM 853 CA ILE A 54 -10.000 -14.415 17.085 1.00 0.00 C ATOM 854 C ILE A 54 -9.094 -15.639 17.008 1.00 0.00 C ATOM 855 O ILE A 54 -8.568 -15.967 15.944 1.00 0.00 O ATOM 856 CB ILE A 54 -9.271 -13.278 17.815 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.070 -11.980 17.662 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.869 -13.091 17.220 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.575 -10.953 18.684 1.00 0.00 C ATOM 0 H ILE A 54 -11.353 -14.251 18.684 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.248 -14.103 16.071 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.180 -13.529 18.872 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.956 -11.587 16.652 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.132 -12.174 17.811 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.357 -12.283 17.742 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.300 -14.014 17.333 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.953 -12.843 16.162 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.143 -10.029 18.576 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.711 -11.347 19.691 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.518 -10.751 18.514 1.00 0.00 H new ATOM 871 N ASN A 55 -8.917 -16.312 18.138 1.00 0.00 N ATOM 872 CA ASN A 55 -8.077 -17.499 18.180 1.00 0.00 C ATOM 873 C ASN A 55 -8.674 -18.618 17.335 1.00 0.00 C ATOM 874 O ASN A 55 -7.965 -19.304 16.598 1.00 0.00 O ATOM 875 CB ASN A 55 -7.915 -17.977 19.622 1.00 0.00 C ATOM 876 CG ASN A 55 -7.079 -19.252 19.659 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.429 -20.245 19.020 1.00 0.00 O ATOM 878 ND2 ASN A 55 -5.987 -19.284 20.375 1.00 0.00 N ATOM 0 H ASN A 55 -9.341 -16.058 19.030 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.101 -17.237 17.772 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.436 -17.201 20.219 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.894 -18.161 20.065 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.422 -20.133 20.406 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.699 -18.460 20.903 1.00 0.00 H new ATOM 885 N ASP A 56 -9.984 -18.802 17.459 1.00 0.00 N ATOM 886 CA ASP A 56 -10.673 -19.846 16.714 1.00 0.00 C ATOM 887 C ASP A 56 -10.593 -19.587 15.214 1.00 0.00 C ATOM 888 O ASP A 56 -10.330 -20.500 14.430 1.00 0.00 O ATOM 889 CB ASP A 56 -12.143 -19.906 17.137 1.00 0.00 C ATOM 890 CG ASP A 56 -12.256 -20.454 18.556 1.00 0.00 C ATOM 891 OD1 ASP A 56 -11.280 -21.007 19.036 1.00 0.00 O ATOM 892 OD2 ASP A 56 -13.315 -20.307 19.144 1.00 0.00 O ATOM 0 H ASP A 56 -10.586 -18.245 18.065 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.186 -20.796 16.934 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.585 -18.911 17.086 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.703 -20.539 16.448 1.00 0.00 H new ATOM 897 N TYR A 57 -10.831 -18.342 14.819 1.00 0.00 N ATOM 898 CA TYR A 57 -10.794 -17.984 13.409 1.00 0.00 C ATOM 899 C TYR A 57 -9.413 -18.268 12.823 1.00 0.00 C ATOM 900 O TYR A 57 -9.291 -18.909 11.779 1.00 0.00 O ATOM 901 CB TYR A 57 -11.125 -16.496 13.242 1.00 0.00 C ATOM 902 CG TYR A 57 -11.484 -16.214 11.802 1.00 0.00 C ATOM 903 CD1 TYR A 57 -10.481 -16.094 10.837 1.00 0.00 C ATOM 904 CD2 TYR A 57 -12.830 -16.075 11.437 1.00 0.00 C ATOM 905 CE1 TYR A 57 -10.822 -15.836 9.504 1.00 0.00 C ATOM 906 CE2 TYR A 57 -13.170 -15.815 10.106 1.00 0.00 C ATOM 907 CZ TYR A 57 -12.166 -15.697 9.139 1.00 0.00 C ATOM 908 OH TYR A 57 -12.502 -15.443 7.825 1.00 0.00 O ATOM 0 H TYR A 57 -11.050 -17.571 15.450 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.533 -18.584 12.878 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.954 -16.222 13.894 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.271 -15.888 13.540 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.444 -16.200 11.119 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.605 -16.169 12.184 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.048 -15.744 8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.207 -15.705 9.825 1.00 0.00 H new ATOM 0 HH TYR A 57 -13.476 -15.376 7.744 1.00 0.00 H new ATOM 918 N ILE A 58 -8.376 -17.790 13.503 1.00 0.00 N ATOM 919 CA ILE A 58 -7.009 -18.004 13.040 1.00 0.00 C ATOM 920 C ILE A 58 -6.662 -19.491 13.069 1.00 0.00 C ATOM 921 O ILE A 58 -6.076 -20.021 12.124 1.00 0.00 O ATOM 922 CB ILE A 58 -6.033 -17.228 13.929 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.242 -15.725 13.719 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.593 -17.598 13.554 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.558 -14.954 14.848 1.00 0.00 C ATOM 0 H ILE A 58 -8.454 -17.257 14.369 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.928 -17.646 12.014 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.213 -17.481 14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.832 -15.421 12.756 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.307 -15.494 13.699 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.899 -17.045 14.187 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.443 -18.668 13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.412 -17.344 12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.706 -13.884 14.700 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.989 -15.251 15.804 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.491 -15.176 14.846 1.00 0.00 H new ATOM 937 N ALA A 59 -7.028 -20.154 14.160 1.00 0.00 N ATOM 938 CA ALA A 59 -6.752 -21.575 14.307 1.00 0.00 C ATOM 939 C ALA A 59 -7.480 -22.374 13.234 1.00 0.00 C ATOM 940 O ALA A 59 -7.068 -23.479 12.881 1.00 0.00 O ATOM 941 CB ALA A 59 -7.189 -22.058 15.691 1.00 0.00 C ATOM 0 H ALA A 59 -7.514 -19.732 14.951 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.679 -21.728 14.195 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.977 -23.123 15.788 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.643 -21.508 16.457 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.259 -21.888 15.815 1.00 0.00 H new ATOM 947 N GLU A 60 -8.570 -21.812 12.726 1.00 0.00 N ATOM 948 CA GLU A 60 -9.354 -22.489 11.701 1.00 0.00 C ATOM 949 C GLU A 60 -8.576 -22.563 10.394 1.00 0.00 C ATOM 950 O GLU A 60 -8.581 -23.591 9.717 1.00 0.00 O ATOM 951 CB GLU A 60 -10.665 -21.735 11.470 1.00 0.00 C ATOM 952 CG GLU A 60 -11.598 -22.576 10.594 1.00 0.00 C ATOM 953 CD GLU A 60 -12.096 -23.785 11.378 1.00 0.00 C ATOM 954 OE1 GLU A 60 -11.829 -23.846 12.568 1.00 0.00 O ATOM 955 OE2 GLU A 60 -12.737 -24.633 10.779 1.00 0.00 O ATOM 0 H GLU A 60 -8.928 -20.898 13.004 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.568 -23.502 12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.144 -21.519 12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.465 -20.777 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.443 -21.972 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.072 -22.904 9.698 1.00 0.00 H new ATOM 962 N HIS A 61 -7.904 -21.470 10.043 1.00 0.00 N ATOM 963 CA HIS A 61 -7.116 -21.423 8.811 1.00 0.00 C ATOM 964 C HIS A 61 -5.863 -20.575 9.006 1.00 0.00 C ATOM 965 O HIS A 61 -5.766 -19.466 8.480 1.00 0.00 O ATOM 966 CB HIS A 61 -7.959 -20.847 7.674 1.00 0.00 C ATOM 967 CG HIS A 61 -9.080 -21.797 7.354 1.00 0.00 C ATOM 968 ND1 HIS A 61 -9.083 -23.089 6.888 1.00 0.00 N flip ATOM 969 CD2 HIS A 61 -10.412 -21.446 7.505 1.00 0.00 C flip ATOM 970 CE1 HIS A 61 -10.395 -23.533 6.749 1.00 0.00 C flip ATOM 971 NE2 HIS A 61 -11.155 -22.505 7.134 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.888 -20.609 10.589 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.813 -22.439 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.361 -19.875 7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.339 -20.688 6.792 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.786 -20.496 7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.727 -24.501 6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -12.175 -22.520 7.146 1.00 0.00 H new ATOM 979 N PRO A 62 -4.913 -21.074 9.751 1.00 0.00 N ATOM 980 CA PRO A 62 -3.635 -20.351 10.025 1.00 0.00 C ATOM 981 C PRO A 62 -2.910 -19.965 8.736 1.00 0.00 C ATOM 982 O PRO A 62 -2.260 -18.922 8.663 1.00 0.00 O ATOM 983 CB PRO A 62 -2.811 -21.360 10.847 1.00 0.00 C ATOM 984 CG PRO A 62 -3.818 -22.296 11.437 1.00 0.00 C ATOM 985 CD PRO A 62 -4.953 -22.384 10.419 1.00 0.00 C ATOM 0 HA PRO A 62 -3.798 -19.409 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.099 -21.893 10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.236 -20.858 11.625 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.380 -23.277 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.181 -21.926 12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.798 -23.200 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.914 -22.559 10.903 1.00 0.00 H new ATOM 993 N THR A 63 -3.021 -20.822 7.728 1.00 0.00 N ATOM 994 CA THR A 63 -2.368 -20.572 6.451 1.00 0.00 C ATOM 995 C THR A 63 -3.085 -19.466 5.687 1.00 0.00 C ATOM 996 O THR A 63 -2.698 -19.116 4.572 1.00 0.00 O ATOM 997 CB THR A 63 -2.347 -21.851 5.607 1.00 0.00 C ATOM 998 OG1 THR A 63 -1.663 -22.872 6.319 1.00 0.00 O ATOM 999 CG2 THR A 63 -1.632 -21.588 4.272 1.00 0.00 C ATOM 0 H THR A 63 -3.554 -21.691 7.770 1.00 0.00 H new ATOM 0 HA THR A 63 -1.344 -20.255 6.649 1.00 0.00 H new ATOM 0 HB THR A 63 -3.371 -22.166 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.649 -23.692 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.622 -22.502 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.159 -20.806 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.608 -21.269 4.465 1.00 0.00 H new ATOM 1007 N SER A 64 -4.133 -18.920 6.291 1.00 0.00 N ATOM 1008 CA SER A 64 -4.898 -17.856 5.656 1.00 0.00 C ATOM 1009 C SER A 64 -3.994 -16.678 5.305 1.00 0.00 C ATOM 1010 O SER A 64 -4.131 -16.075 4.241 1.00 0.00 O ATOM 1011 CB SER A 64 -6.010 -17.384 6.593 1.00 0.00 C ATOM 1012 OG SER A 64 -6.992 -18.404 6.711 1.00 0.00 O ATOM 0 H SER A 64 -4.471 -19.194 7.214 1.00 0.00 H new ATOM 0 HA SER A 64 -5.336 -18.248 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.598 -17.146 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.463 -16.471 6.207 1.00 0.00 H new ATOM 0 HG SER A 64 -6.945 -18.801 7.606 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.074 -16.356 6.207 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.153 -15.247 5.983 1.00 0.00 C ATOM 1020 C GLY A 65 -2.823 -13.914 6.297 1.00 0.00 C ATOM 1021 O GLY A 65 -2.282 -13.096 7.040 1.00 0.00 O ATOM 0 H GLY A 65 -2.946 -16.843 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.269 -15.371 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.814 -15.254 4.947 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.003 -13.704 5.729 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.742 -12.467 5.951 1.00 0.00 C ATOM 1027 C ARG A 66 -5.139 -12.341 7.414 1.00 0.00 C ATOM 1028 O ARG A 66 -5.097 -11.253 7.988 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.997 -12.435 5.069 1.00 0.00 C ATOM 1030 CG ARG A 66 -5.619 -12.183 3.597 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.132 -13.481 2.944 1.00 0.00 C ATOM 1032 NE ARG A 66 -4.913 -13.275 1.523 1.00 0.00 N ATOM 1033 CZ ARG A 66 -4.287 -14.188 0.794 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -3.853 -15.287 1.353 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -4.102 -13.987 -0.479 1.00 0.00 N ATOM 0 H ARG A 66 -4.468 -14.371 5.113 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.098 -11.628 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.533 -13.380 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.672 -11.653 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.481 -11.796 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.839 -11.424 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.207 -13.811 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.867 -14.271 3.095 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.245 -12.418 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.996 -15.442 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.371 -15.989 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.439 -13.128 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.620 -14.689 -1.041 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.521 -13.460 8.012 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.925 -13.465 9.411 1.00 0.00 C ATOM 1051 C ASN A 67 -4.749 -13.077 10.300 1.00 0.00 C ATOM 1052 O ASN A 67 -4.932 -12.684 11.452 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.428 -14.852 9.805 1.00 0.00 C ATOM 1054 CG ASN A 67 -7.470 -15.331 8.800 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -7.686 -16.535 8.654 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -8.131 -14.457 8.091 1.00 0.00 N ATOM 0 H ASN A 67 -5.560 -14.371 7.554 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.728 -12.740 9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.595 -15.554 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.862 -14.821 10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.827 -14.771 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.951 -13.460 8.213 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.539 -13.195 9.759 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.339 -12.856 10.515 1.00 0.00 C ATOM 1065 C GLN A 68 -2.514 -11.516 11.222 1.00 0.00 C ATOM 1066 O GLN A 68 -1.978 -11.305 12.306 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.132 -12.781 9.576 1.00 0.00 C ATOM 1068 CG GLN A 68 0.134 -12.507 10.390 1.00 0.00 C ATOM 1069 CD GLN A 68 1.360 -12.581 9.486 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.283 -13.109 8.377 1.00 0.00 O ATOM 1071 NE2 GLN A 68 2.494 -12.083 9.897 1.00 0.00 N ATOM 0 H GLN A 68 -3.365 -13.520 8.808 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.172 -13.633 11.261 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.028 -13.716 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.280 -11.992 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.072 -11.522 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.222 -13.234 11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.556 -11.646 10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.319 -12.131 9.299 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.269 -10.614 10.602 1.00 0.00 N ATOM 1081 CA ALA A 69 -3.511 -9.299 11.188 1.00 0.00 C ATOM 1082 C ALA A 69 -4.619 -9.373 12.230 1.00 0.00 C ATOM 1083 O ALA A 69 -4.737 -8.502 13.092 1.00 0.00 O ATOM 1084 CB ALA A 69 -3.901 -8.304 10.092 1.00 0.00 C ATOM 0 H ALA A 69 -3.721 -10.767 9.701 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.595 -8.963 11.674 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.080 -7.325 10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.093 -8.230 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.808 -8.648 9.594 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.435 -10.413 12.139 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.539 -10.587 13.074 1.00 0.00 C ATOM 1092 C LEU A 70 -6.017 -10.772 14.495 1.00 0.00 C ATOM 1093 O LEU A 70 -6.586 -10.245 15.450 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.386 -11.802 12.668 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.803 -11.683 13.267 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.690 -10.830 12.342 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.424 -13.077 13.416 1.00 0.00 C ATOM 0 H LEU A 70 -5.356 -11.145 11.433 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.159 -9.691 13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.446 -11.867 11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.911 -12.719 13.016 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.734 -11.209 14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.689 -10.749 12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.257 -9.835 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.752 -11.301 11.361 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.424 -12.986 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.486 -13.554 12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.804 -13.683 14.077 1.00 0.00 H new ATOM 1109 N THR A 71 -4.936 -11.526 14.623 1.00 0.00 N ATOM 1110 CA THR A 71 -4.341 -11.783 15.927 1.00 0.00 C ATOM 1111 C THR A 71 -3.986 -10.466 16.616 1.00 0.00 C ATOM 1112 O THR A 71 -3.787 -10.423 17.830 1.00 0.00 O ATOM 1113 CB THR A 71 -3.080 -12.646 15.765 1.00 0.00 C ATOM 1114 OG1 THR A 71 -2.775 -13.267 17.006 1.00 0.00 O ATOM 1115 CG2 THR A 71 -1.894 -11.778 15.319 1.00 0.00 C ATOM 0 H THR A 71 -4.453 -11.970 13.842 1.00 0.00 H new ATOM 0 HA THR A 71 -5.064 -12.318 16.544 1.00 0.00 H new ATOM 0 HB THR A 71 -3.263 -13.406 15.006 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.972 -13.820 16.907 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.007 -12.402 15.208 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.127 -11.306 14.364 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.705 -11.009 16.067 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.891 -9.403 15.827 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.537 -8.099 16.366 1.00 0.00 C ATOM 1125 C GLN A 72 -4.542 -7.675 17.431 1.00 0.00 C ATOM 1126 O GLN A 72 -4.171 -7.100 18.454 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.512 -7.058 15.241 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.985 -5.726 15.782 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.510 -5.858 16.145 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.739 -6.463 15.399 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -1.070 -5.331 17.255 1.00 0.00 N ATOM 0 H GLN A 72 -4.053 -9.419 14.820 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.548 -8.167 16.819 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.879 -7.406 14.425 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.514 -6.925 14.833 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.116 -4.943 15.035 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.559 -5.428 16.659 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.711 -4.830 17.871 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.085 -5.420 17.506 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.811 -7.962 17.187 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.858 -7.604 18.135 1.00 0.00 C ATOM 1142 C LEU A 73 -6.649 -8.318 19.461 1.00 0.00 C ATOM 1143 O LEU A 73 -6.840 -7.735 20.528 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.226 -7.968 17.558 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.589 -7.002 16.418 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.748 -7.587 15.603 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.005 -5.630 16.990 1.00 0.00 C ATOM 0 H LEU A 73 -6.141 -8.438 16.347 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.814 -6.529 18.311 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.213 -8.993 17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.984 -7.922 18.340 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.717 -6.868 15.777 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.006 -6.903 14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.449 -8.548 15.184 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.614 -7.727 16.250 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.259 -4.956 16.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.871 -5.754 17.640 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.179 -5.209 17.563 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.259 -9.582 19.390 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.029 -10.361 20.598 1.00 0.00 C ATOM 1161 C LYS A 74 -4.942 -9.718 21.454 1.00 0.00 C ATOM 1162 O LYS A 74 -5.105 -9.558 22.663 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.613 -11.784 20.223 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.492 -12.632 21.490 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.132 -14.069 21.110 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.022 -14.921 22.377 1.00 0.00 C ATOM 1167 NZ LYS A 74 -6.387 -15.239 22.881 1.00 0.00 N ATOM 0 H LYS A 74 -6.096 -10.086 18.518 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.954 -10.390 21.173 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.348 -12.223 19.548 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.662 -11.768 19.691 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.728 -12.216 22.147 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.431 -12.615 22.043 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.892 -14.482 20.446 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.189 -14.086 20.564 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.478 -15.841 22.163 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.456 -14.386 23.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.447 -16.253 23.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.579 -14.682 23.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.090 -15.004 22.151 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.832 -9.356 20.819 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.724 -8.733 21.536 1.00 0.00 C ATOM 1183 C GLU A 75 -3.119 -7.357 22.057 1.00 0.00 C ATOM 1184 O GLU A 75 -2.833 -7.013 23.204 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.514 -8.599 20.606 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.003 -9.989 20.218 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.450 -10.706 21.444 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.132 -10.028 22.408 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -0.355 -11.921 21.404 1.00 0.00 O ATOM 0 H GLU A 75 -3.676 -9.481 19.819 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.467 -9.366 22.385 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.791 -8.040 19.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.723 -8.036 21.102 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.812 -10.573 19.780 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.227 -9.900 19.458 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.776 -6.572 21.209 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.200 -5.234 21.602 1.00 0.00 C ATOM 1198 C GLN A 76 -5.213 -5.303 22.739 1.00 0.00 C ATOM 1199 O GLN A 76 -5.036 -4.668 23.779 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.822 -4.513 20.404 1.00 0.00 C ATOM 1201 CG GLN A 76 -3.728 -4.151 19.398 1.00 0.00 C ATOM 1202 CD GLN A 76 -4.345 -3.482 18.174 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -5.560 -3.283 18.121 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -3.578 -3.116 17.183 1.00 0.00 N ATOM 0 H GLN A 76 -4.024 -6.836 20.255 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.325 -4.682 21.946 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.569 -5.151 19.931 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.337 -3.612 20.736 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.003 -3.482 19.862 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.187 -5.048 19.098 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.573 -3.281 17.228 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.984 -2.665 16.363 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.273 -6.077 22.536 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.303 -6.220 23.555 1.00 0.00 C ATOM 1215 C VAL A 77 -6.714 -6.819 24.828 1.00 0.00 C ATOM 1216 O VAL A 77 -6.966 -6.332 25.929 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.433 -7.112 23.036 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -9.463 -7.343 24.150 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.110 -6.432 21.841 1.00 0.00 C ATOM 0 H VAL A 77 -6.440 -6.610 21.683 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.703 -5.232 23.785 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.023 -8.072 22.723 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.266 -7.979 23.777 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.980 -7.829 24.997 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.876 -6.386 24.468 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.915 -7.066 21.470 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.519 -5.471 22.153 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.378 -6.275 21.049 1.00 0.00 H new ATOM 1229 N THR A 78 -5.926 -7.876 24.667 1.00 0.00 N ATOM 1230 CA THR A 78 -5.302 -8.534 25.810 1.00 0.00 C ATOM 1231 C THR A 78 -4.387 -7.566 26.553 1.00 0.00 C ATOM 1232 O THR A 78 -4.401 -7.505 27.782 1.00 0.00 O ATOM 1233 CB THR A 78 -4.493 -9.746 25.340 1.00 0.00 C ATOM 1234 OG1 THR A 78 -5.369 -10.702 24.757 1.00 0.00 O ATOM 1235 CG2 THR A 78 -3.763 -10.374 26.530 1.00 0.00 C ATOM 0 H THR A 78 -5.705 -8.294 23.763 1.00 0.00 H new ATOM 0 HA THR A 78 -6.089 -8.864 26.488 1.00 0.00 H new ATOM 0 HB THR A 78 -3.760 -9.426 24.600 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.327 -10.631 23.780 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.189 -11.236 26.191 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.089 -9.640 26.972 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.491 -10.694 27.276 1.00 0.00 H new ATOM 1243 N SER A 79 -3.592 -6.815 25.799 1.00 0.00 N ATOM 1244 CA SER A 79 -2.671 -5.857 26.398 1.00 0.00 C ATOM 1245 C SER A 79 -3.439 -4.762 27.128 1.00 0.00 C ATOM 1246 O SER A 79 -2.982 -4.245 28.148 1.00 0.00 O ATOM 1247 CB SER A 79 -1.795 -5.229 25.314 1.00 0.00 C ATOM 1248 OG SER A 79 -2.624 -4.572 24.363 1.00 0.00 O ATOM 0 H SER A 79 -3.566 -6.850 24.780 1.00 0.00 H new ATOM 0 HA SER A 79 -2.042 -6.385 27.115 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.099 -4.518 25.759 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.197 -5.997 24.823 1.00 0.00 H new ATOM 0 HG SER A 79 -3.541 -4.908 24.441 1.00 0.00 H new ATOM 1254 N ALA A 80 -4.607 -4.411 26.600 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.427 -3.373 27.213 1.00 0.00 C ATOM 1256 C ALA A 80 -5.786 -3.748 28.646 1.00 0.00 C ATOM 1257 O ALA A 80 -5.687 -2.925 29.555 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.707 -3.170 26.398 1.00 0.00 C ATOM 0 H ALA A 80 -5.004 -4.826 25.757 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.855 -2.445 27.227 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.314 -2.393 26.862 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.448 -2.870 25.383 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.271 -4.102 26.368 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.203 -4.993 28.840 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.574 -5.466 30.169 1.00 0.00 C ATOM 1266 C LEU A 81 -5.357 -5.505 31.084 1.00 0.00 C ATOM 1267 O LEU A 81 -5.474 -5.331 32.296 1.00 0.00 O ATOM 1268 CB LEU A 81 -7.183 -6.863 30.069 1.00 0.00 C ATOM 1269 CG LEU A 81 -8.307 -6.855 29.029 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.873 -8.272 28.882 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -9.425 -5.896 29.472 1.00 0.00 C ATOM 0 H LEU A 81 -6.293 -5.690 28.100 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.306 -4.777 30.589 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.417 -7.586 29.788 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.572 -7.172 31.039 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.909 -6.519 28.072 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.673 -8.269 28.142 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.082 -8.948 28.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.267 -8.608 29.841 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.221 -5.896 28.727 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.826 -6.223 30.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.022 -4.888 29.572 1.00 0.00 H new