USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 893 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 115 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 CYS SG : rot -15:sc= 0.993 USER MOD Set 1.3: A 119 GLN : amide:sc= -3.03! C(o=-2!,f=-3.2!) USER MOD Set 2.1: A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 TYR OH : rot -145:sc= 0.123 USER MOD Set 3.2: A 48 SER OG : rot -68:sc= 0.674 USER MOD Set 3.3: A 53 CYS SG : rot -170:sc= -0.174 USER MOD Set 4.1: A 39 SER OG : rot -104:sc= 0.106 USER MOD Set 4.2: A 75 TYR OH : rot 66:sc= 0.107 USER MOD Single : A 10 THR OG1 : rot -34:sc= 0.116 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -5.21! C(o=-5.2!,f=-6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -1.07 (180deg=-1.86!) USER MOD Single : A 33 THR OG1 : rot -162:sc= 0.0308 USER MOD Single : A 41 SER OG : rot -160:sc= -0.795 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0327) USER MOD Single : A 66 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.014) USER MOD Single : A 68 THR OG1 : rot -53:sc= 0.415 USER MOD Single : A 71 CYS SG : rot 150:sc= 0.435 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= -0.102 (180deg=-1) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.647 K(o=-0.65,f=-3.5!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -159:sc= -1.21 (180deg=-1.97!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -17:sc= 0.231 USER MOD Single : A 105 LYS NZ :NH3+ -132:sc= 0.0168 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 160:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 145:sc= -0.379 (180deg=-1.41!) USER MOD Single : A 117 CYS SG : rot 69:sc= -0.712 USER MOD Single : A 120 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -7:sc= 0.0781 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 10 0.550 4.392 7.449 1.00 0.00 N ATOM 103 CA THR A 10 0.042 3.393 8.380 1.00 0.00 C ATOM 104 C THR A 10 -0.274 2.084 7.665 1.00 0.00 C ATOM 105 O THR A 10 -1.025 2.064 6.689 1.00 0.00 O ATOM 106 CB THR A 10 -1.225 3.890 9.101 1.00 0.00 C ATOM 107 OG1 THR A 10 -2.191 4.337 8.143 1.00 0.00 O ATOM 108 CG2 THR A 10 -0.893 5.023 10.060 1.00 0.00 C ATOM 0 HA THR A 10 0.827 3.220 9.117 1.00 0.00 H new ATOM 0 HB THR A 10 -1.639 3.060 9.674 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.730 4.738 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.803 5.357 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.180 4.671 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.457 5.854 9.505 1.00 0.00 H new ATOM 116 N PHE A 11 0.303 0.993 8.156 1.00 0.00 N ATOM 117 CA PHE A 11 0.082 -0.321 7.563 1.00 0.00 C ATOM 118 C PHE A 11 -0.610 -1.255 8.551 1.00 0.00 C ATOM 119 O PHE A 11 -0.224 -1.339 9.716 1.00 0.00 O ATOM 120 CB PHE A 11 1.412 -0.931 7.114 1.00 0.00 C ATOM 121 CG PHE A 11 2.095 -1.734 8.184 1.00 0.00 C ATOM 122 CD1 PHE A 11 1.560 -2.938 8.613 1.00 0.00 C ATOM 123 CD2 PHE A 11 3.272 -1.284 8.761 1.00 0.00 C ATOM 124 CE1 PHE A 11 2.186 -3.679 9.597 1.00 0.00 C ATOM 125 CE2 PHE A 11 3.902 -2.021 9.745 1.00 0.00 C ATOM 126 CZ PHE A 11 3.359 -3.220 10.165 1.00 0.00 C ATOM 0 H PHE A 11 0.927 0.992 8.963 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.565 -0.196 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.236 -1.570 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.078 -0.131 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.643 -3.301 8.173 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.701 -0.347 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.759 -4.616 9.922 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.819 -1.660 10.186 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.850 -3.797 10.935 1.00 0.00 H new ATOM 136 N GLU A 12 -1.636 -1.954 8.076 1.00 0.00 N ATOM 137 CA GLU A 12 -2.384 -2.881 8.918 1.00 0.00 C ATOM 138 C GLU A 12 -2.332 -4.296 8.349 1.00 0.00 C ATOM 139 O GLU A 12 -2.636 -4.515 7.177 1.00 0.00 O ATOM 140 CB GLU A 12 -3.839 -2.425 9.049 1.00 0.00 C ATOM 141 CG GLU A 12 -4.661 -3.280 9.999 1.00 0.00 C ATOM 142 CD GLU A 12 -4.185 -3.178 11.435 1.00 0.00 C ATOM 143 OE1 GLU A 12 -4.485 -2.156 12.088 1.00 0.00 O ATOM 144 OE2 GLU A 12 -3.514 -4.119 11.907 1.00 0.00 O ATOM 0 H GLU A 12 -1.968 -1.896 7.113 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.923 -2.888 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.857 -1.392 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.306 -2.440 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.706 -2.976 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.615 -4.321 9.678 1.00 0.00 H new ATOM 151 N GLU A 13 -1.944 -5.251 9.188 1.00 0.00 N ATOM 152 CA GLU A 13 -1.851 -6.644 8.768 1.00 0.00 C ATOM 153 C GLU A 13 -3.159 -7.382 9.039 1.00 0.00 C ATOM 154 O GLU A 13 -3.706 -7.317 10.140 1.00 0.00 O ATOM 155 CB GLU A 13 -0.699 -7.343 9.494 1.00 0.00 C ATOM 156 CG GLU A 13 -0.202 -8.591 8.785 1.00 0.00 C ATOM 157 CD GLU A 13 -1.174 -9.750 8.892 1.00 0.00 C ATOM 158 OE1 GLU A 13 -1.477 -10.168 10.029 1.00 0.00 O ATOM 159 OE2 GLU A 13 -1.633 -10.238 7.837 1.00 0.00 O ATOM 0 H GLU A 13 -1.689 -5.086 10.162 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.659 -6.661 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.129 -6.643 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.024 -7.611 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.030 -8.362 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.758 -8.887 9.208 1.00 0.00 H new ATOM 166 N VAL A 14 -3.656 -8.084 8.025 1.00 0.00 N ATOM 167 CA VAL A 14 -4.899 -8.835 8.153 1.00 0.00 C ATOM 168 C VAL A 14 -4.719 -10.278 7.693 1.00 0.00 C ATOM 169 O VAL A 14 -4.628 -10.552 6.496 1.00 0.00 O ATOM 170 CB VAL A 14 -6.034 -8.186 7.338 1.00 0.00 C ATOM 171 CG1 VAL A 14 -7.302 -9.020 7.429 1.00 0.00 C ATOM 172 CG2 VAL A 14 -6.285 -6.764 7.815 1.00 0.00 C ATOM 0 H VAL A 14 -3.217 -8.148 7.107 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.168 -8.824 9.209 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.730 -8.146 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.092 -8.545 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.110 -10.018 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.614 -9.095 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.090 -6.320 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.568 -6.778 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.377 -6.173 7.691 1.00 0.00 H new ATOM 182 N SER A 15 -4.670 -11.197 8.652 1.00 0.00 N ATOM 183 CA SER A 15 -4.498 -12.612 8.345 1.00 0.00 C ATOM 184 C SER A 15 -5.831 -13.254 7.974 1.00 0.00 C ATOM 185 O SER A 15 -6.768 -13.273 8.772 1.00 0.00 O ATOM 186 CB SER A 15 -3.883 -13.343 9.541 1.00 0.00 C ATOM 187 OG SER A 15 -3.888 -14.746 9.339 1.00 0.00 O ATOM 0 H SER A 15 -4.747 -10.987 9.647 1.00 0.00 H new ATOM 0 HA SER A 15 -3.825 -12.694 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.861 -12.998 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.441 -13.101 10.445 1.00 0.00 H new ATOM 0 HG SER A 15 -3.489 -15.190 10.116 1.00 0.00 H new ATOM 193 N VAL A 16 -5.908 -13.780 6.755 1.00 0.00 N ATOM 194 CA VAL A 16 -7.125 -14.424 6.276 1.00 0.00 C ATOM 195 C VAL A 16 -6.810 -15.733 5.562 1.00 0.00 C ATOM 196 O VAL A 16 -5.719 -15.908 5.016 1.00 0.00 O ATOM 197 CB VAL A 16 -7.907 -13.505 5.319 1.00 0.00 C ATOM 198 CG1 VAL A 16 -8.465 -12.304 6.068 1.00 0.00 C ATOM 199 CG2 VAL A 16 -7.021 -13.060 4.166 1.00 0.00 C ATOM 0 H VAL A 16 -5.142 -13.773 6.082 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.739 -14.631 7.152 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.745 -14.067 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.014 -11.666 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.136 -12.646 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.645 -11.738 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.590 -12.411 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.162 -12.515 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.676 -13.934 3.614 1.00 0.00 H new ATOM 209 N LEU A 17 -7.771 -16.650 5.568 1.00 0.00 N ATOM 210 CA LEU A 17 -7.596 -17.945 4.920 1.00 0.00 C ATOM 211 C LEU A 17 -8.779 -18.263 4.010 1.00 0.00 C ATOM 212 O LEU A 17 -9.888 -18.512 4.480 1.00 0.00 O ATOM 213 CB LEU A 17 -7.436 -19.046 5.970 1.00 0.00 C ATOM 214 CG LEU A 17 -6.732 -20.321 5.504 1.00 0.00 C ATOM 215 CD1 LEU A 17 -6.065 -21.022 6.677 1.00 0.00 C ATOM 216 CD2 LEU A 17 -7.717 -21.253 4.813 1.00 0.00 C ATOM 0 H LEU A 17 -8.679 -16.521 6.014 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.694 -17.899 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.882 -18.637 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.426 -19.315 6.339 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.960 -20.044 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.569 -21.927 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.329 -20.357 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.818 -21.286 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.198 -22.155 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.512 -21.522 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.147 -20.750 3.947 1.00 0.00 H new ATOM 228 N GLY A 18 -8.533 -18.253 2.703 1.00 0.00 N ATOM 229 CA GLY A 18 -9.586 -18.543 1.748 1.00 0.00 C ATOM 230 C GLY A 18 -10.008 -17.319 0.961 1.00 0.00 C ATOM 231 O GLY A 18 -9.593 -16.201 1.267 1.00 0.00 O ATOM 0 H GLY A 18 -7.623 -18.049 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.244 -19.315 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.450 -18.947 2.276 1.00 0.00 H new ATOM 235 N PHE A 19 -10.835 -17.528 -0.058 1.00 0.00 N ATOM 236 CA PHE A 19 -11.312 -16.433 -0.894 1.00 0.00 C ATOM 237 C PHE A 19 -12.388 -15.626 -0.172 1.00 0.00 C ATOM 238 O PHE A 19 -12.308 -14.402 -0.088 1.00 0.00 O ATOM 239 CB PHE A 19 -11.864 -16.973 -2.215 1.00 0.00 C ATOM 240 CG PHE A 19 -12.073 -15.911 -3.256 1.00 0.00 C ATOM 241 CD1 PHE A 19 -13.154 -15.047 -3.175 1.00 0.00 C ATOM 242 CD2 PHE A 19 -11.191 -15.777 -4.315 1.00 0.00 C ATOM 243 CE1 PHE A 19 -13.349 -14.070 -4.133 1.00 0.00 C ATOM 244 CE2 PHE A 19 -11.381 -14.801 -5.276 1.00 0.00 C ATOM 245 CZ PHE A 19 -12.461 -13.946 -5.184 1.00 0.00 C ATOM 0 H PHE A 19 -11.189 -18.447 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.468 -15.776 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.178 -17.724 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.812 -17.476 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.851 -15.138 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.344 -16.443 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.196 -13.403 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.686 -14.708 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.611 -13.182 -5.932 1.00 0.00 H new ATOM 255 N GLU A 20 -13.394 -16.324 0.346 1.00 0.00 N ATOM 256 CA GLU A 20 -14.487 -15.673 1.059 1.00 0.00 C ATOM 257 C GLU A 20 -13.954 -14.621 2.027 1.00 0.00 C ATOM 258 O GLU A 20 -14.222 -13.430 1.874 1.00 0.00 O ATOM 259 CB GLU A 20 -15.317 -16.708 1.820 1.00 0.00 C ATOM 260 CG GLU A 20 -16.416 -17.341 0.984 1.00 0.00 C ATOM 261 CD GLU A 20 -17.466 -16.339 0.546 1.00 0.00 C ATOM 262 OE1 GLU A 20 -18.244 -15.880 1.409 1.00 0.00 O ATOM 263 OE2 GLU A 20 -17.511 -16.014 -0.659 1.00 0.00 O ATOM 0 H GLU A 20 -13.475 -17.339 0.285 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.122 -15.178 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.655 -17.492 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.764 -16.232 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.974 -17.807 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.894 -18.134 1.559 1.00 0.00 H new ATOM 270 N GLU A 21 -13.198 -15.071 3.024 1.00 0.00 N ATOM 271 CA GLU A 21 -12.629 -14.168 4.018 1.00 0.00 C ATOM 272 C GLU A 21 -11.786 -13.085 3.350 1.00 0.00 C ATOM 273 O GLU A 21 -11.948 -11.897 3.628 1.00 0.00 O ATOM 274 CB GLU A 21 -11.775 -14.949 5.019 1.00 0.00 C ATOM 275 CG GLU A 21 -12.569 -15.941 5.853 1.00 0.00 C ATOM 276 CD GLU A 21 -13.588 -15.265 6.750 1.00 0.00 C ATOM 277 OE1 GLU A 21 -13.174 -14.489 7.636 1.00 0.00 O ATOM 278 OE2 GLU A 21 -14.798 -15.512 6.566 1.00 0.00 O ATOM 0 H GLU A 21 -12.966 -16.054 3.165 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.451 -13.688 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.995 -15.484 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.276 -14.245 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.080 -16.640 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.883 -16.526 6.465 1.00 0.00 H new ATOM 285 N PHE A 22 -10.885 -13.505 2.468 1.00 0.00 N ATOM 286 CA PHE A 22 -10.015 -12.572 1.761 1.00 0.00 C ATOM 287 C PHE A 22 -10.805 -11.370 1.253 1.00 0.00 C ATOM 288 O PHE A 22 -10.478 -10.224 1.561 1.00 0.00 O ATOM 289 CB PHE A 22 -9.323 -13.274 0.591 1.00 0.00 C ATOM 290 CG PHE A 22 -8.839 -12.330 -0.472 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.150 -11.177 -0.132 1.00 0.00 C ATOM 292 CD2 PHE A 22 -9.072 -12.596 -1.812 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.704 -10.307 -1.109 1.00 0.00 C ATOM 294 CE2 PHE A 22 -8.628 -11.730 -2.793 1.00 0.00 C ATOM 295 CZ PHE A 22 -7.942 -10.584 -2.441 1.00 0.00 C ATOM 0 H PHE A 22 -10.738 -14.485 2.226 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.259 -12.217 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.477 -13.846 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -10.016 -13.987 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.959 -10.956 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.607 -13.491 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.169 -9.411 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.817 -11.949 -3.834 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.592 -9.906 -3.206 1.00 0.00 H new ATOM 305 N ASP A 23 -11.846 -11.641 0.473 1.00 0.00 N ATOM 306 CA ASP A 23 -12.684 -10.582 -0.079 1.00 0.00 C ATOM 307 C ASP A 23 -13.248 -9.702 1.032 1.00 0.00 C ATOM 308 O ASP A 23 -13.168 -8.475 0.967 1.00 0.00 O ATOM 309 CB ASP A 23 -13.825 -11.183 -0.900 1.00 0.00 C ATOM 310 CG ASP A 23 -13.458 -11.358 -2.361 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.251 -11.482 -2.658 1.00 0.00 O ATOM 312 OD2 ASP A 23 -14.377 -11.372 -3.206 1.00 0.00 O ATOM 0 H ASP A 23 -12.130 -12.584 0.209 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.066 -9.963 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.101 -12.150 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.702 -10.540 -0.823 1.00 0.00 H new ATOM 317 N LYS A 24 -13.819 -10.336 2.050 1.00 0.00 N ATOM 318 CA LYS A 24 -14.397 -9.612 3.176 1.00 0.00 C ATOM 319 C LYS A 24 -13.443 -8.532 3.676 1.00 0.00 C ATOM 320 O LYS A 24 -13.840 -7.386 3.883 1.00 0.00 O ATOM 321 CB LYS A 24 -14.731 -10.579 4.314 1.00 0.00 C ATOM 322 CG LYS A 24 -15.499 -9.934 5.455 1.00 0.00 C ATOM 323 CD LYS A 24 -16.934 -9.630 5.060 1.00 0.00 C ATOM 324 CE LYS A 24 -17.853 -10.807 5.350 1.00 0.00 C ATOM 325 NZ LYS A 24 -19.188 -10.639 4.712 1.00 0.00 N ATOM 0 H LYS A 24 -13.894 -11.351 2.119 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.314 -9.132 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.317 -11.407 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.805 -11.002 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.492 -10.597 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.000 -9.012 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.284 -8.752 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.977 -9.387 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.391 -11.726 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.976 -10.914 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.785 -11.462 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.640 -9.776 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.073 -10.562 3.681 1.00 0.00 H new ATOM 339 N ALA A 25 -12.182 -8.906 3.868 1.00 0.00 N ATOM 340 CA ALA A 25 -11.170 -7.969 4.340 1.00 0.00 C ATOM 341 C ALA A 25 -10.925 -6.864 3.318 1.00 0.00 C ATOM 342 O ALA A 25 -10.655 -5.719 3.679 1.00 0.00 O ATOM 343 CB ALA A 25 -9.874 -8.702 4.648 1.00 0.00 C ATOM 0 H ALA A 25 -11.837 -9.852 3.704 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.539 -7.506 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.128 -7.990 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.054 -9.450 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.510 -9.193 3.745 1.00 0.00 H new ATOM 349 N VAL A 26 -11.021 -7.216 2.039 1.00 0.00 N ATOM 350 CA VAL A 26 -10.809 -6.254 0.964 1.00 0.00 C ATOM 351 C VAL A 26 -11.878 -5.166 0.982 1.00 0.00 C ATOM 352 O VAL A 26 -11.583 -3.994 1.215 1.00 0.00 O ATOM 353 CB VAL A 26 -10.816 -6.942 -0.414 1.00 0.00 C ATOM 354 CG1 VAL A 26 -10.903 -5.909 -1.527 1.00 0.00 C ATOM 355 CG2 VAL A 26 -9.580 -7.814 -0.580 1.00 0.00 C ATOM 0 H VAL A 26 -11.244 -8.160 1.723 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.831 -5.802 1.131 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.696 -7.582 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.907 -6.414 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.821 -5.331 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.044 -5.240 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.601 -8.293 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.685 -7.197 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.567 -8.578 0.197 1.00 0.00 H new ATOM 365 N LYS A 27 -13.122 -5.563 0.735 1.00 0.00 N ATOM 366 CA LYS A 27 -14.237 -4.623 0.724 1.00 0.00 C ATOM 367 C LYS A 27 -14.232 -3.759 1.980 1.00 0.00 C ATOM 368 O LYS A 27 -14.805 -2.670 1.997 1.00 0.00 O ATOM 369 CB LYS A 27 -15.564 -5.377 0.615 1.00 0.00 C ATOM 370 CG LYS A 27 -15.962 -5.705 -0.814 1.00 0.00 C ATOM 371 CD LYS A 27 -16.367 -4.458 -1.581 1.00 0.00 C ATOM 372 CE LYS A 27 -17.198 -4.802 -2.807 1.00 0.00 C ATOM 373 NZ LYS A 27 -17.561 -3.589 -3.590 1.00 0.00 N ATOM 0 H LYS A 27 -13.383 -6.529 0.540 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.124 -3.972 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.494 -6.303 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.351 -4.779 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.129 -6.191 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.790 -6.414 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.937 -3.797 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.475 -3.912 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.640 -5.490 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -18.106 -5.319 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -18.127 -3.866 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -18.115 -2.943 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.695 -3.109 -3.908 1.00 0.00 H new ATOM 387 N GLU A 28 -13.581 -4.251 3.030 1.00 0.00 N ATOM 388 CA GLU A 28 -13.502 -3.522 4.290 1.00 0.00 C ATOM 389 C GLU A 28 -12.563 -2.326 4.168 1.00 0.00 C ATOM 390 O GLU A 28 -12.873 -1.228 4.633 1.00 0.00 O ATOM 391 CB GLU A 28 -13.025 -4.447 5.411 1.00 0.00 C ATOM 392 CG GLU A 28 -14.153 -5.188 6.111 1.00 0.00 C ATOM 393 CD GLU A 28 -15.183 -4.250 6.709 1.00 0.00 C ATOM 394 OE1 GLU A 28 -14.789 -3.351 7.481 1.00 0.00 O ATOM 395 OE2 GLU A 28 -16.383 -4.416 6.407 1.00 0.00 O ATOM 0 H GLU A 28 -13.101 -5.151 3.033 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.500 -3.156 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.326 -5.174 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.476 -3.859 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.642 -5.853 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.737 -5.815 6.899 1.00 0.00 H new ATOM 402 N HIS A 29 -11.412 -2.546 3.541 1.00 0.00 N ATOM 403 CA HIS A 29 -10.426 -1.486 3.358 1.00 0.00 C ATOM 404 C HIS A 29 -10.425 -0.989 1.915 1.00 0.00 C ATOM 405 O HIS A 29 -9.400 -0.538 1.406 1.00 0.00 O ATOM 406 CB HIS A 29 -9.032 -1.986 3.738 1.00 0.00 C ATOM 407 CG HIS A 29 -9.021 -2.863 4.953 1.00 0.00 C ATOM 408 ND1 HIS A 29 -9.339 -2.405 6.214 1.00 0.00 N ATOM 409 CD2 HIS A 29 -8.730 -4.177 5.093 1.00 0.00 C ATOM 410 CE1 HIS A 29 -9.242 -3.399 7.078 1.00 0.00 C ATOM 411 NE2 HIS A 29 -8.874 -4.486 6.424 1.00 0.00 N ATOM 0 H HIS A 29 -11.139 -3.448 3.151 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.696 -0.655 4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.611 -2.538 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.382 -1.128 3.913 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.607 -1.448 6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.439 -4.856 4.305 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.431 -3.334 8.139 1.00 0.00 H new ATOM 420 N GLU A 30 -11.580 -1.076 1.263 1.00 0.00 N ATOM 421 CA GLU A 30 -11.710 -0.636 -0.121 1.00 0.00 C ATOM 422 C GLU A 30 -11.496 0.871 -0.235 1.00 0.00 C ATOM 423 O GLU A 30 -11.186 1.385 -1.310 1.00 0.00 O ATOM 424 CB GLU A 30 -13.089 -1.009 -0.671 1.00 0.00 C ATOM 425 CG GLU A 30 -14.204 -0.096 -0.189 1.00 0.00 C ATOM 426 CD GLU A 30 -15.582 -0.625 -0.537 1.00 0.00 C ATOM 427 OE1 GLU A 30 -15.908 -0.686 -1.741 1.00 0.00 O ATOM 428 OE2 GLU A 30 -16.334 -0.978 0.396 1.00 0.00 O ATOM 0 H GLU A 30 -12.438 -1.447 1.671 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.943 -1.140 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.055 -0.984 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.320 -2.034 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.128 0.025 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.076 0.892 -0.631 1.00 0.00 H new ATOM 435 N SER A 31 -11.665 1.573 0.881 1.00 0.00 N ATOM 436 CA SER A 31 -11.494 3.021 0.906 1.00 0.00 C ATOM 437 C SER A 31 -10.017 3.396 0.828 1.00 0.00 C ATOM 438 O SER A 31 -9.664 4.486 0.378 1.00 0.00 O ATOM 439 CB SER A 31 -12.114 3.607 2.176 1.00 0.00 C ATOM 440 OG SER A 31 -12.047 5.022 2.170 1.00 0.00 O ATOM 0 H SER A 31 -11.920 1.163 1.779 1.00 0.00 H new ATOM 0 HA SER A 31 -12.003 3.437 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.154 3.289 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.593 3.219 3.051 1.00 0.00 H new ATOM 0 HG SER A 31 -12.451 5.372 2.991 1.00 0.00 H new ATOM 446 N LYS A 32 -9.158 2.483 1.269 1.00 0.00 N ATOM 447 CA LYS A 32 -7.718 2.715 1.249 1.00 0.00 C ATOM 448 C LYS A 32 -7.005 1.632 0.446 1.00 0.00 C ATOM 449 O LYS A 32 -7.625 0.671 -0.011 1.00 0.00 O ATOM 450 CB LYS A 32 -7.167 2.753 2.676 1.00 0.00 C ATOM 451 CG LYS A 32 -7.470 1.500 3.479 1.00 0.00 C ATOM 452 CD LYS A 32 -8.781 1.626 4.236 1.00 0.00 C ATOM 453 CE LYS A 32 -8.582 2.300 5.585 1.00 0.00 C ATOM 454 NZ LYS A 32 -8.335 3.761 5.444 1.00 0.00 N ATOM 0 H LYS A 32 -9.434 1.576 1.645 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.536 3.677 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.087 2.896 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.584 3.616 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.516 0.641 2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.659 1.313 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.492 2.201 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.215 0.637 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.464 2.139 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.741 1.838 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.634 4.249 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.321 3.928 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.877 4.128 4.636 1.00 0.00 H new ATOM 468 N THR A 33 -5.695 1.792 0.279 1.00 0.00 N ATOM 469 CA THR A 33 -4.897 0.828 -0.468 1.00 0.00 C ATOM 470 C THR A 33 -4.912 -0.539 0.207 1.00 0.00 C ATOM 471 O THR A 33 -4.904 -0.635 1.434 1.00 0.00 O ATOM 472 CB THR A 33 -3.438 1.300 -0.615 1.00 0.00 C ATOM 473 OG1 THR A 33 -3.402 2.606 -1.202 1.00 0.00 O ATOM 474 CG2 THR A 33 -2.639 0.331 -1.472 1.00 0.00 C ATOM 0 H THR A 33 -5.165 2.580 0.651 1.00 0.00 H new ATOM 0 HA THR A 33 -5.346 0.746 -1.458 1.00 0.00 H new ATOM 0 HB THR A 33 -2.990 1.336 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.504 2.782 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.612 0.686 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.643 -0.655 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.088 0.266 -2.463 1.00 0.00 H new ATOM 482 N ILE A 34 -4.932 -1.593 -0.602 1.00 0.00 N ATOM 483 CA ILE A 34 -4.945 -2.954 -0.082 1.00 0.00 C ATOM 484 C ILE A 34 -3.849 -3.798 -0.722 1.00 0.00 C ATOM 485 O ILE A 34 -3.521 -3.623 -1.896 1.00 0.00 O ATOM 486 CB ILE A 34 -6.307 -3.634 -0.320 1.00 0.00 C ATOM 487 CG1 ILE A 34 -7.413 -2.886 0.427 1.00 0.00 C ATOM 488 CG2 ILE A 34 -6.255 -5.090 0.118 1.00 0.00 C ATOM 489 CD1 ILE A 34 -8.799 -3.163 -0.111 1.00 0.00 C ATOM 0 H ILE A 34 -4.940 -1.530 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.765 -2.884 0.991 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.531 -3.603 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.379 -3.162 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.218 -1.815 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.224 -5.557 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.491 -5.615 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.013 -5.142 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.533 -2.600 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.850 -2.861 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.014 -4.228 -0.030 1.00 0.00 H new ATOM 501 N PHE A 35 -3.287 -4.717 0.056 1.00 0.00 N ATOM 502 CA PHE A 35 -2.227 -5.590 -0.435 1.00 0.00 C ATOM 503 C PHE A 35 -2.511 -7.046 -0.075 1.00 0.00 C ATOM 504 O PHE A 35 -2.480 -7.424 1.096 1.00 0.00 O ATOM 505 CB PHE A 35 -0.876 -5.164 0.144 1.00 0.00 C ATOM 506 CG PHE A 35 -0.282 -3.966 -0.539 1.00 0.00 C ATOM 507 CD1 PHE A 35 0.490 -4.115 -1.680 1.00 0.00 C ATOM 508 CD2 PHE A 35 -0.496 -2.691 -0.042 1.00 0.00 C ATOM 509 CE1 PHE A 35 1.039 -3.014 -2.311 1.00 0.00 C ATOM 510 CE2 PHE A 35 0.050 -1.586 -0.668 1.00 0.00 C ATOM 511 CZ PHE A 35 0.817 -1.748 -1.805 1.00 0.00 C ATOM 0 H PHE A 35 -3.548 -4.877 1.029 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.193 -5.502 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.997 -4.944 1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.178 -5.998 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.665 -5.102 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.097 -2.558 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.641 -3.144 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.123 -0.598 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.243 -0.886 -2.298 1.00 0.00 H new ATOM 521 N ALA A 36 -2.789 -7.857 -1.090 1.00 0.00 N ATOM 522 CA ALA A 36 -3.077 -9.270 -0.882 1.00 0.00 C ATOM 523 C ALA A 36 -1.833 -10.123 -1.107 1.00 0.00 C ATOM 524 O ALA A 36 -1.266 -10.134 -2.200 1.00 0.00 O ATOM 525 CB ALA A 36 -4.202 -9.721 -1.802 1.00 0.00 C ATOM 0 H ALA A 36 -2.821 -7.559 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.394 -9.402 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.406 -10.779 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.100 -9.140 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.907 -9.567 -2.840 1.00 0.00 H new ATOM 531 N TYR A 37 -1.414 -10.836 -0.068 1.00 0.00 N ATOM 532 CA TYR A 37 -0.235 -11.690 -0.152 1.00 0.00 C ATOM 533 C TYR A 37 -0.629 -13.164 -0.146 1.00 0.00 C ATOM 534 O TYR A 37 -0.688 -13.798 0.908 1.00 0.00 O ATOM 535 CB TYR A 37 0.714 -11.399 1.011 1.00 0.00 C ATOM 536 CG TYR A 37 1.988 -12.213 0.971 1.00 0.00 C ATOM 537 CD1 TYR A 37 2.866 -12.113 -0.101 1.00 0.00 C ATOM 538 CD2 TYR A 37 2.312 -13.083 2.005 1.00 0.00 C ATOM 539 CE1 TYR A 37 4.030 -12.856 -0.142 1.00 0.00 C ATOM 540 CE2 TYR A 37 3.475 -13.829 1.973 1.00 0.00 C ATOM 541 CZ TYR A 37 4.330 -13.712 0.897 1.00 0.00 C ATOM 542 OH TYR A 37 5.489 -14.453 0.861 1.00 0.00 O ATOM 0 H TYR A 37 -1.873 -10.840 0.843 1.00 0.00 H new ATOM 0 HA TYR A 37 0.274 -11.473 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.969 -10.339 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.196 -11.596 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.635 -11.443 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.644 -13.178 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.701 -12.767 -0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.713 -14.499 2.786 1.00 0.00 H new ATOM 0 HH TYR A 37 5.330 -15.329 1.272 1.00 0.00 H new ATOM 552 N PHE A 38 -0.896 -13.703 -1.330 1.00 0.00 N ATOM 553 CA PHE A 38 -1.284 -15.103 -1.463 1.00 0.00 C ATOM 554 C PHE A 38 -0.070 -16.018 -1.337 1.00 0.00 C ATOM 555 O PHE A 38 0.841 -15.977 -2.164 1.00 0.00 O ATOM 556 CB PHE A 38 -1.975 -15.336 -2.808 1.00 0.00 C ATOM 557 CG PHE A 38 -3.020 -14.307 -3.132 1.00 0.00 C ATOM 558 CD1 PHE A 38 -4.313 -14.437 -2.651 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.709 -13.209 -3.918 1.00 0.00 C ATOM 560 CE1 PHE A 38 -5.277 -13.492 -2.947 1.00 0.00 C ATOM 561 CE2 PHE A 38 -3.668 -12.260 -4.216 1.00 0.00 C ATOM 562 CZ PHE A 38 -4.954 -12.402 -3.732 1.00 0.00 C ATOM 0 H PHE A 38 -0.851 -13.192 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.980 -15.340 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.223 -15.340 -3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.438 -16.323 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.571 -15.287 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.706 -13.094 -4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.281 -13.605 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.412 -11.407 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.705 -11.663 -3.967 1.00 0.00 H new ATOM 572 N SER A 39 -0.064 -16.843 -0.295 1.00 0.00 N ATOM 573 CA SER A 39 1.040 -17.766 -0.057 1.00 0.00 C ATOM 574 C SER A 39 0.544 -19.045 0.610 1.00 0.00 C ATOM 575 O SER A 39 -0.614 -19.139 1.015 1.00 0.00 O ATOM 576 CB SER A 39 2.108 -17.103 0.815 1.00 0.00 C ATOM 577 OG SER A 39 1.689 -17.032 2.167 1.00 0.00 O ATOM 0 H SER A 39 -0.811 -16.891 0.398 1.00 0.00 H new ATOM 0 HA SER A 39 1.478 -18.026 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.038 -17.667 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.316 -16.100 0.442 1.00 0.00 H new ATOM 0 HG SER A 39 1.422 -16.113 2.379 1.00 0.00 H new ATOM 583 N GLY A 40 1.430 -20.030 0.721 1.00 0.00 N ATOM 584 CA GLY A 40 1.065 -21.291 1.339 1.00 0.00 C ATOM 585 C GLY A 40 0.603 -21.121 2.773 1.00 0.00 C ATOM 586 O GLY A 40 0.906 -20.116 3.415 1.00 0.00 O ATOM 0 H GLY A 40 2.395 -19.977 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.271 -21.761 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.921 -21.966 1.314 1.00 0.00 H new ATOM 590 N SER A 41 -0.134 -22.106 3.276 1.00 0.00 N ATOM 591 CA SER A 41 -0.644 -22.059 4.642 1.00 0.00 C ATOM 592 C SER A 41 0.475 -22.310 5.648 1.00 0.00 C ATOM 593 O SER A 41 1.519 -22.868 5.309 1.00 0.00 O ATOM 594 CB SER A 41 -1.755 -23.094 4.830 1.00 0.00 C ATOM 595 OG SER A 41 -2.832 -22.851 3.941 1.00 0.00 O ATOM 0 H SER A 41 -0.391 -22.946 2.758 1.00 0.00 H new ATOM 0 HA SER A 41 -1.051 -21.063 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.357 -24.095 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.114 -23.064 5.859 1.00 0.00 H new ATOM 0 HG SER A 41 -3.638 -23.297 4.275 1.00 0.00 H new ATOM 601 N LYS A 42 0.250 -21.893 6.889 1.00 0.00 N ATOM 602 CA LYS A 42 1.237 -22.072 7.948 1.00 0.00 C ATOM 603 C LYS A 42 1.182 -23.489 8.509 1.00 0.00 C ATOM 604 O LYS A 42 0.102 -24.046 8.708 1.00 0.00 O ATOM 605 CB LYS A 42 1.000 -21.058 9.070 1.00 0.00 C ATOM 606 CG LYS A 42 1.238 -19.618 8.649 1.00 0.00 C ATOM 607 CD LYS A 42 1.655 -18.754 9.828 1.00 0.00 C ATOM 608 CE LYS A 42 1.894 -17.313 9.405 1.00 0.00 C ATOM 609 NZ LYS A 42 2.870 -16.628 10.297 1.00 0.00 N ATOM 0 H LYS A 42 -0.608 -21.428 7.187 1.00 0.00 H new ATOM 0 HA LYS A 42 2.226 -21.908 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.024 -21.158 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.656 -21.296 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.011 -19.585 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.329 -19.213 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.882 -18.786 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.563 -19.159 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.262 -17.292 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.949 -16.770 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.006 -15.648 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.507 -16.625 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.780 -17.131 10.268 1.00 0.00 H new ATOM 693 N SER A 48 5.088 -21.260 6.527 1.00 0.00 N ATOM 694 CA SER A 48 4.632 -21.761 5.236 1.00 0.00 C ATOM 695 C SER A 48 5.487 -22.937 4.776 1.00 0.00 C ATOM 696 O SER A 48 6.701 -22.954 4.981 1.00 0.00 O ATOM 697 CB SER A 48 4.673 -20.646 4.189 1.00 0.00 C ATOM 698 OG SER A 48 3.489 -19.869 4.224 1.00 0.00 O ATOM 0 HA SER A 48 3.604 -22.105 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.537 -20.006 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.798 -21.079 3.197 1.00 0.00 H new ATOM 0 HG SER A 48 2.733 -20.411 3.917 1.00 0.00 H new ATOM 704 N TRP A 49 4.845 -23.920 4.154 1.00 0.00 N ATOM 705 CA TRP A 49 5.547 -25.101 3.665 1.00 0.00 C ATOM 706 C TRP A 49 6.622 -24.717 2.655 1.00 0.00 C ATOM 707 O TRP A 49 7.639 -25.400 2.527 1.00 0.00 O ATOM 708 CB TRP A 49 4.558 -26.079 3.029 1.00 0.00 C ATOM 709 CG TRP A 49 3.512 -25.407 2.193 1.00 0.00 C ATOM 710 CD1 TRP A 49 2.283 -24.977 2.607 1.00 0.00 C ATOM 711 CD2 TRP A 49 3.601 -25.089 0.800 1.00 0.00 C ATOM 712 NE1 TRP A 49 1.604 -24.411 1.555 1.00 0.00 N ATOM 713 CE2 TRP A 49 2.391 -24.467 0.436 1.00 0.00 C ATOM 714 CE3 TRP A 49 4.587 -25.267 -0.175 1.00 0.00 C ATOM 715 CZ2 TRP A 49 2.143 -24.025 -0.861 1.00 0.00 C ATOM 716 CZ3 TRP A 49 4.338 -24.829 -1.461 1.00 0.00 C ATOM 717 CH2 TRP A 49 3.125 -24.213 -1.795 1.00 0.00 C ATOM 0 H TRP A 49 3.841 -23.922 3.977 1.00 0.00 H new ATOM 0 HA TRP A 49 6.030 -25.584 4.514 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.107 -26.788 2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.070 -26.654 3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.901 -25.069 3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.666 -24.014 1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.526 -25.739 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.208 -23.550 -1.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.092 -24.964 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.962 -23.880 -2.809 1.00 0.00 H new ATOM 728 N CYS A 50 6.391 -23.621 1.940 1.00 0.00 N ATOM 729 CA CYS A 50 7.342 -23.147 0.940 1.00 0.00 C ATOM 730 C CYS A 50 8.496 -22.399 1.599 1.00 0.00 C ATOM 731 O CYS A 50 8.302 -21.553 2.472 1.00 0.00 O ATOM 732 CB CYS A 50 6.639 -22.238 -0.070 1.00 0.00 C ATOM 733 SG CYS A 50 7.491 -22.105 -1.659 1.00 0.00 S ATOM 0 H CYS A 50 5.555 -23.045 2.034 1.00 0.00 H new ATOM 0 HA CYS A 50 7.747 -24.014 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.630 -22.614 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.539 -21.242 0.361 1.00 0.00 H new ATOM 0 HG CYS A 50 6.820 -21.318 -2.447 1.00 0.00 H new ATOM 739 N PRO A 51 9.727 -22.717 1.173 1.00 0.00 N ATOM 740 CA PRO A 51 10.938 -22.088 1.709 1.00 0.00 C ATOM 741 C PRO A 51 11.065 -20.627 1.291 1.00 0.00 C ATOM 742 O PRO A 51 11.278 -19.748 2.127 1.00 0.00 O ATOM 743 CB PRO A 51 12.070 -22.919 1.100 1.00 0.00 C ATOM 744 CG PRO A 51 11.491 -23.488 -0.150 1.00 0.00 C ATOM 745 CD PRO A 51 10.033 -23.717 0.136 1.00 0.00 C ATOM 0 HA PRO A 51 10.941 -22.073 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.943 -22.303 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.394 -23.706 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.621 -22.803 -0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.987 -24.420 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.421 -23.572 -0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.847 -24.731 0.489 1.00 0.00 H new ATOM 753 N ASP A 52 10.933 -20.374 -0.006 1.00 0.00 N ATOM 754 CA ASP A 52 11.032 -19.019 -0.535 1.00 0.00 C ATOM 755 C ASP A 52 10.088 -18.076 0.205 1.00 0.00 C ATOM 756 O ASP A 52 10.491 -17.001 0.649 1.00 0.00 O ATOM 757 CB ASP A 52 10.714 -19.008 -2.031 1.00 0.00 C ATOM 758 CG ASP A 52 11.922 -19.343 -2.883 1.00 0.00 C ATOM 759 OD1 ASP A 52 12.783 -20.115 -2.412 1.00 0.00 O ATOM 760 OD2 ASP A 52 12.007 -18.834 -4.020 1.00 0.00 O ATOM 0 H ASP A 52 10.757 -21.090 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 52 12.054 -18.671 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.919 -19.725 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.337 -18.025 -2.312 1.00 0.00 H new ATOM 765 N CYS A 53 8.831 -18.487 0.333 1.00 0.00 N ATOM 766 CA CYS A 53 7.829 -17.678 1.018 1.00 0.00 C ATOM 767 C CYS A 53 8.347 -17.201 2.371 1.00 0.00 C ATOM 768 O CYS A 53 8.432 -16.000 2.627 1.00 0.00 O ATOM 769 CB CYS A 53 6.539 -18.478 1.206 1.00 0.00 C ATOM 770 SG CYS A 53 5.341 -17.698 2.312 1.00 0.00 S ATOM 0 H CYS A 53 8.482 -19.375 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 53 7.620 -16.804 0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 53 6.073 -18.630 0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.790 -19.464 1.597 1.00 0.00 H new ATOM 0 HG CYS A 53 4.382 -18.536 2.574 1.00 0.00 H new ATOM 776 N VAL A 54 8.691 -18.151 3.236 1.00 0.00 N ATOM 777 CA VAL A 54 9.201 -17.828 4.563 1.00 0.00 C ATOM 778 C VAL A 54 10.282 -16.756 4.491 1.00 0.00 C ATOM 779 O VAL A 54 10.419 -15.936 5.398 1.00 0.00 O ATOM 780 CB VAL A 54 9.775 -19.075 5.262 1.00 0.00 C ATOM 781 CG1 VAL A 54 10.415 -18.696 6.589 1.00 0.00 C ATOM 782 CG2 VAL A 54 8.688 -20.119 5.464 1.00 0.00 C ATOM 0 H VAL A 54 8.626 -19.150 3.041 1.00 0.00 H new ATOM 0 HA VAL A 54 8.359 -17.451 5.143 1.00 0.00 H new ATOM 0 HB VAL A 54 10.547 -19.506 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.815 -19.589 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.223 -17.986 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.666 -18.241 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.111 -20.993 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.893 -19.701 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.280 -20.412 4.496 1.00 0.00 H new ATOM 792 N GLU A 55 11.049 -16.769 3.405 1.00 0.00 N ATOM 793 CA GLU A 55 12.119 -15.797 3.215 1.00 0.00 C ATOM 794 C GLU A 55 11.560 -14.456 2.747 1.00 0.00 C ATOM 795 O GLU A 55 12.045 -13.397 3.144 1.00 0.00 O ATOM 796 CB GLU A 55 13.139 -16.319 2.200 1.00 0.00 C ATOM 797 CG GLU A 55 14.436 -15.529 2.179 1.00 0.00 C ATOM 798 CD GLU A 55 15.118 -15.491 3.533 1.00 0.00 C ATOM 799 OE1 GLU A 55 15.259 -16.562 4.157 1.00 0.00 O ATOM 800 OE2 GLU A 55 15.511 -14.388 3.967 1.00 0.00 O ATOM 0 H GLU A 55 10.949 -17.441 2.644 1.00 0.00 H new ATOM 0 HA GLU A 55 12.615 -15.649 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.362 -17.362 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.694 -16.296 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.113 -15.969 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.231 -14.510 1.851 1.00 0.00 H new ATOM 807 N ALA A 56 10.538 -14.511 1.900 1.00 0.00 N ATOM 808 CA ALA A 56 9.912 -13.303 1.378 1.00 0.00 C ATOM 809 C ALA A 56 9.110 -12.589 2.461 1.00 0.00 C ATOM 810 O ALA A 56 9.017 -11.362 2.470 1.00 0.00 O ATOM 811 CB ALA A 56 9.019 -13.640 0.193 1.00 0.00 C ATOM 0 H ALA A 56 10.126 -15.380 1.560 1.00 0.00 H new ATOM 0 HA ALA A 56 10.702 -12.630 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.558 -12.728 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.617 -14.099 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.241 -14.335 0.510 1.00 0.00 H new ATOM 817 N GLU A 57 8.531 -13.366 3.372 1.00 0.00 N ATOM 818 CA GLU A 57 7.736 -12.806 4.458 1.00 0.00 C ATOM 819 C GLU A 57 8.407 -11.566 5.042 1.00 0.00 C ATOM 820 O GLU A 57 7.847 -10.470 5.047 1.00 0.00 O ATOM 821 CB GLU A 57 7.526 -13.850 5.557 1.00 0.00 C ATOM 822 CG GLU A 57 7.445 -13.257 6.953 1.00 0.00 C ATOM 823 CD GLU A 57 6.321 -12.250 7.095 1.00 0.00 C ATOM 824 OE1 GLU A 57 5.928 -11.651 6.072 1.00 0.00 O ATOM 825 OE2 GLU A 57 5.833 -12.060 8.229 1.00 0.00 O ATOM 0 H GLU A 57 8.598 -14.384 3.379 1.00 0.00 H new ATOM 0 HA GLU A 57 6.767 -12.516 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.608 -14.401 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.344 -14.569 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.302 -14.059 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.392 -12.775 7.194 1.00 0.00 H new ATOM 832 N PRO A 58 9.638 -11.742 5.546 1.00 0.00 N ATOM 833 CA PRO A 58 10.413 -10.650 6.141 1.00 0.00 C ATOM 834 C PRO A 58 10.878 -9.635 5.102 1.00 0.00 C ATOM 835 O PRO A 58 11.279 -8.522 5.442 1.00 0.00 O ATOM 836 CB PRO A 58 11.614 -11.366 6.764 1.00 0.00 C ATOM 837 CG PRO A 58 11.760 -12.619 5.973 1.00 0.00 C ATOM 838 CD PRO A 58 10.367 -13.021 5.573 1.00 0.00 C ATOM 0 HA PRO A 58 9.824 -10.075 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.514 -10.754 6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.443 -11.581 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.386 -12.456 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.237 -13.401 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.354 -13.512 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.929 -13.718 6.287 1.00 0.00 H new ATOM 846 N VAL A 59 10.821 -10.027 3.833 1.00 0.00 N ATOM 847 CA VAL A 59 11.235 -9.151 2.743 1.00 0.00 C ATOM 848 C VAL A 59 10.084 -8.261 2.287 1.00 0.00 C ATOM 849 O VAL A 59 10.302 -7.178 1.742 1.00 0.00 O ATOM 850 CB VAL A 59 11.753 -9.959 1.539 1.00 0.00 C ATOM 851 CG1 VAL A 59 12.324 -9.031 0.478 1.00 0.00 C ATOM 852 CG2 VAL A 59 12.794 -10.974 1.987 1.00 0.00 C ATOM 0 H VAL A 59 10.492 -10.945 3.534 1.00 0.00 H new ATOM 0 HA VAL A 59 12.043 -8.528 3.127 1.00 0.00 H new ATOM 0 HB VAL A 59 10.915 -10.501 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.685 -9.620 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.547 -8.347 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.150 -8.459 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.149 -11.536 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.632 -10.455 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.347 -11.659 2.707 1.00 0.00 H new ATOM 862 N ILE A 60 8.860 -8.724 2.512 1.00 0.00 N ATOM 863 CA ILE A 60 7.674 -7.969 2.126 1.00 0.00 C ATOM 864 C ILE A 60 7.185 -7.089 3.271 1.00 0.00 C ATOM 865 O ILE A 60 6.863 -5.917 3.073 1.00 0.00 O ATOM 866 CB ILE A 60 6.531 -8.902 1.686 1.00 0.00 C ATOM 867 CG1 ILE A 60 6.986 -9.791 0.527 1.00 0.00 C ATOM 868 CG2 ILE A 60 5.307 -8.090 1.288 1.00 0.00 C ATOM 869 CD1 ILE A 60 5.871 -10.617 -0.075 1.00 0.00 C ATOM 0 H ILE A 60 8.663 -9.619 2.960 1.00 0.00 H new ATOM 0 HA ILE A 60 7.962 -7.339 1.284 1.00 0.00 H new ATOM 0 HB ILE A 60 6.261 -9.542 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.424 -9.165 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.772 -10.459 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.508 -8.764 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.972 -7.496 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.563 -7.428 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.266 -11.222 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.448 -11.269 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.094 -9.955 -0.458 1.00 0.00 H new ATOM 881 N ARG A 61 7.134 -7.661 4.469 1.00 0.00 N ATOM 882 CA ARG A 61 6.685 -6.929 5.647 1.00 0.00 C ATOM 883 C ARG A 61 7.624 -5.766 5.955 1.00 0.00 C ATOM 884 O ARG A 61 7.191 -4.715 6.426 1.00 0.00 O ATOM 885 CB ARG A 61 6.602 -7.864 6.855 1.00 0.00 C ATOM 886 CG ARG A 61 5.275 -8.597 6.968 1.00 0.00 C ATOM 887 CD ARG A 61 4.947 -8.934 8.414 1.00 0.00 C ATOM 888 NE ARG A 61 4.174 -7.878 9.061 1.00 0.00 N ATOM 889 CZ ARG A 61 4.077 -7.739 10.378 1.00 0.00 C ATOM 890 NH1 ARG A 61 4.701 -8.586 11.185 1.00 0.00 N ATOM 891 NH2 ARG A 61 3.354 -6.752 10.892 1.00 0.00 N ATOM 0 H ARG A 61 7.398 -8.629 4.650 1.00 0.00 H new ATOM 0 HA ARG A 61 5.693 -6.528 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.407 -8.596 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.766 -7.285 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.480 -7.981 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.313 -9.513 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.386 -9.868 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.872 -9.097 8.967 1.00 0.00 H new ATOM 0 HE ARG A 61 3.681 -7.210 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.257 -9.347 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.625 -8.477 12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.872 -6.098 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.281 -6.647 11.904 1.00 0.00 H new ATOM 905 N GLU A 62 8.911 -5.963 5.686 1.00 0.00 N ATOM 906 CA GLU A 62 9.909 -4.931 5.935 1.00 0.00 C ATOM 907 C GLU A 62 9.726 -3.754 4.981 1.00 0.00 C ATOM 908 O GLU A 62 9.884 -2.597 5.368 1.00 0.00 O ATOM 909 CB GLU A 62 11.319 -5.507 5.786 1.00 0.00 C ATOM 910 CG GLU A 62 11.777 -6.315 6.989 1.00 0.00 C ATOM 911 CD GLU A 62 13.143 -6.940 6.786 1.00 0.00 C ATOM 912 OE1 GLU A 62 14.025 -6.267 6.212 1.00 0.00 O ATOM 913 OE2 GLU A 62 13.330 -8.103 7.202 1.00 0.00 O ATOM 0 H GLU A 62 9.286 -6.828 5.296 1.00 0.00 H new ATOM 0 HA GLU A 62 9.776 -4.573 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.352 -6.141 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.021 -4.690 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.804 -5.669 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.049 -7.100 7.193 1.00 0.00 H new ATOM 920 N GLY A 63 9.391 -4.059 3.731 1.00 0.00 N ATOM 921 CA GLY A 63 9.192 -3.018 2.741 1.00 0.00 C ATOM 922 C GLY A 63 7.915 -2.234 2.972 1.00 0.00 C ATOM 923 O GLY A 63 7.830 -1.055 2.624 1.00 0.00 O ATOM 0 H GLY A 63 9.254 -5.009 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.042 -2.336 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.165 -3.466 1.748 1.00 0.00 H new ATOM 927 N LEU A 64 6.920 -2.888 3.559 1.00 0.00 N ATOM 928 CA LEU A 64 5.640 -2.245 3.836 1.00 0.00 C ATOM 929 C LEU A 64 5.829 -1.005 4.703 1.00 0.00 C ATOM 930 O LEU A 64 4.916 -0.193 4.852 1.00 0.00 O ATOM 931 CB LEU A 64 4.693 -3.227 4.529 1.00 0.00 C ATOM 932 CG LEU A 64 4.010 -4.253 3.625 1.00 0.00 C ATOM 933 CD1 LEU A 64 3.594 -5.477 4.426 1.00 0.00 C ATOM 934 CD2 LEU A 64 2.807 -3.635 2.929 1.00 0.00 C ATOM 0 H LEU A 64 6.974 -3.863 3.853 1.00 0.00 H new ATOM 0 HA LEU A 64 5.203 -1.937 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.254 -3.763 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.921 -2.655 5.043 1.00 0.00 H new ATOM 0 HG LEU A 64 4.723 -4.568 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.109 -6.196 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.475 -5.934 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.899 -5.179 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.334 -4.380 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.092 -3.291 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.132 -2.790 2.322 1.00 0.00 H new ATOM 946 N LYS A 65 7.021 -0.864 5.272 1.00 0.00 N ATOM 947 CA LYS A 65 7.333 0.279 6.122 1.00 0.00 C ATOM 948 C LYS A 65 7.661 1.509 5.282 1.00 0.00 C ATOM 949 O LYS A 65 7.277 2.627 5.624 1.00 0.00 O ATOM 950 CB LYS A 65 8.510 -0.051 7.043 1.00 0.00 C ATOM 951 CG LYS A 65 8.141 -0.963 8.200 1.00 0.00 C ATOM 952 CD LYS A 65 9.159 -0.877 9.325 1.00 0.00 C ATOM 953 CE LYS A 65 8.944 0.365 10.177 1.00 0.00 C ATOM 954 NZ LYS A 65 7.783 0.212 11.097 1.00 0.00 N ATOM 0 H LYS A 65 7.788 -1.527 5.160 1.00 0.00 H new ATOM 0 HA LYS A 65 6.455 0.499 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.298 -0.523 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.921 0.877 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.156 -0.691 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.074 -1.992 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.087 -1.766 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.165 -0.863 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.844 0.567 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.783 1.227 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.741 1.027 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.905 0.163 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.892 -0.662 11.651 1.00 0.00 H new ATOM 968 N HIS A 66 8.371 1.294 4.179 1.00 0.00 N ATOM 969 CA HIS A 66 8.748 2.386 3.288 1.00 0.00 C ATOM 970 C HIS A 66 7.530 2.926 2.545 1.00 0.00 C ATOM 971 O HIS A 66 7.582 4.000 1.945 1.00 0.00 O ATOM 972 CB HIS A 66 9.803 1.914 2.286 1.00 0.00 C ATOM 973 CG HIS A 66 11.055 1.403 2.931 1.00 0.00 C ATOM 974 ND1 HIS A 66 12.273 2.040 2.819 1.00 0.00 N ATOM 975 CD2 HIS A 66 11.273 0.311 3.700 1.00 0.00 C ATOM 976 CE1 HIS A 66 13.186 1.361 3.489 1.00 0.00 C ATOM 977 NE2 HIS A 66 12.605 0.307 4.033 1.00 0.00 N ATOM 0 H HIS A 66 8.697 0.375 3.881 1.00 0.00 H new ATOM 0 HA HIS A 66 9.167 3.189 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.376 1.126 1.665 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.057 2.740 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.536 -0.421 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 66 14.230 1.623 3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 66 13.070 -0.396 4.607 1.00 0.00 H new ATOM 986 N VAL A 67 6.435 2.175 2.589 1.00 0.00 N ATOM 987 CA VAL A 67 5.203 2.578 1.921 1.00 0.00 C ATOM 988 C VAL A 67 4.852 4.026 2.244 1.00 0.00 C ATOM 989 O VAL A 67 5.125 4.514 3.341 1.00 0.00 O ATOM 990 CB VAL A 67 4.024 1.673 2.323 1.00 0.00 C ATOM 991 CG1 VAL A 67 3.446 2.111 3.660 1.00 0.00 C ATOM 992 CG2 VAL A 67 2.953 1.681 1.242 1.00 0.00 C ATOM 0 H VAL A 67 6.375 1.283 3.081 1.00 0.00 H new ATOM 0 HA VAL A 67 5.377 2.479 0.849 1.00 0.00 H new ATOM 0 HB VAL A 67 4.392 0.653 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.614 1.460 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.217 2.048 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.092 3.139 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.127 1.036 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.586 2.698 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.377 1.315 0.307 1.00 0.00 H new ATOM 1002 N THR A 68 4.244 4.711 1.280 1.00 0.00 N ATOM 1003 CA THR A 68 3.855 6.104 1.460 1.00 0.00 C ATOM 1004 C THR A 68 2.359 6.290 1.237 1.00 0.00 C ATOM 1005 O THR A 68 1.925 7.307 0.695 1.00 0.00 O ATOM 1006 CB THR A 68 4.625 7.031 0.501 1.00 0.00 C ATOM 1007 OG1 THR A 68 4.448 8.397 0.892 1.00 0.00 O ATOM 1008 CG2 THR A 68 4.150 6.842 -0.932 1.00 0.00 C ATOM 0 H THR A 68 4.010 4.323 0.366 1.00 0.00 H new ATOM 0 HA THR A 68 4.102 6.371 2.487 1.00 0.00 H new ATOM 0 HB THR A 68 5.683 6.773 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.491 8.594 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.708 7.507 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.314 5.808 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.087 7.075 -0.997 1.00 0.00 H new ATOM 1016 N GLU A 69 1.574 5.303 1.658 1.00 0.00 N ATOM 1017 CA GLU A 69 0.126 5.360 1.503 1.00 0.00 C ATOM 1018 C GLU A 69 -0.563 4.396 2.465 1.00 0.00 C ATOM 1019 O GLU A 69 -0.380 3.182 2.381 1.00 0.00 O ATOM 1020 CB GLU A 69 -0.269 5.029 0.062 1.00 0.00 C ATOM 1021 CG GLU A 69 0.128 3.627 -0.370 1.00 0.00 C ATOM 1022 CD GLU A 69 0.082 3.446 -1.875 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.819 4.028 -2.515 1.00 0.00 O ATOM 1024 OE2 GLU A 69 0.946 2.723 -2.413 1.00 0.00 O ATOM 0 H GLU A 69 1.917 4.455 2.109 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.199 6.374 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.348 5.142 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.195 5.752 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.135 3.412 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.538 2.904 0.100 1.00 0.00 H new ATOM 1031 N ASP A 70 -1.355 4.947 3.379 1.00 0.00 N ATOM 1032 CA ASP A 70 -2.072 4.137 4.357 1.00 0.00 C ATOM 1033 C ASP A 70 -2.753 2.949 3.685 1.00 0.00 C ATOM 1034 O ASP A 70 -3.821 3.090 3.088 1.00 0.00 O ATOM 1035 CB ASP A 70 -3.109 4.987 5.092 1.00 0.00 C ATOM 1036 CG ASP A 70 -4.045 5.708 4.142 1.00 0.00 C ATOM 1037 OD1 ASP A 70 -3.663 6.786 3.639 1.00 0.00 O ATOM 1038 OD2 ASP A 70 -5.158 5.196 3.902 1.00 0.00 O ATOM 0 H ASP A 70 -1.516 5.951 3.463 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.348 3.757 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.691 4.350 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.597 5.718 5.718 1.00 0.00 H new ATOM 1043 N CYS A 71 -2.128 1.781 3.785 1.00 0.00 N ATOM 1044 CA CYS A 71 -2.673 0.569 3.185 1.00 0.00 C ATOM 1045 C CYS A 71 -2.941 -0.491 4.248 1.00 0.00 C ATOM 1046 O CYS A 71 -2.577 -0.324 5.412 1.00 0.00 O ATOM 1047 CB CYS A 71 -1.710 0.019 2.131 1.00 0.00 C ATOM 1048 SG CYS A 71 -0.222 -0.744 2.818 1.00 0.00 S ATOM 0 H CYS A 71 -1.244 1.648 4.276 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.618 0.824 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.236 -0.717 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.415 0.830 1.465 1.00 0.00 H new ATOM 0 HG CYS A 71 0.192 -1.683 2.020 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.582 -1.582 3.841 1.00 0.00 N ATOM 1055 CA VAL A 72 -3.901 -2.669 4.759 1.00 0.00 C ATOM 1056 C VAL A 72 -3.472 -4.016 4.185 1.00 0.00 C ATOM 1057 O VAL A 72 -4.136 -4.569 3.309 1.00 0.00 O ATOM 1058 CB VAL A 72 -5.407 -2.715 5.074 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -5.714 -3.836 6.055 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -5.878 -1.375 5.620 1.00 0.00 C ATOM 0 H VAL A 72 -3.891 -1.737 2.881 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.351 -2.477 5.680 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.948 -2.916 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.783 -3.853 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.414 -4.790 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.164 -3.669 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.945 -1.425 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.332 -1.142 6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.695 -0.596 4.880 1.00 0.00 H new ATOM 1070 N PHE A 73 -2.357 -4.538 4.687 1.00 0.00 N ATOM 1071 CA PHE A 73 -1.839 -5.820 4.224 1.00 0.00 C ATOM 1072 C PHE A 73 -2.829 -6.944 4.514 1.00 0.00 C ATOM 1073 O PHE A 73 -3.531 -6.921 5.526 1.00 0.00 O ATOM 1074 CB PHE A 73 -0.496 -6.122 4.893 1.00 0.00 C ATOM 1075 CG PHE A 73 0.192 -7.335 4.335 1.00 0.00 C ATOM 1076 CD1 PHE A 73 1.060 -7.223 3.261 1.00 0.00 C ATOM 1077 CD2 PHE A 73 -0.029 -8.588 4.885 1.00 0.00 C ATOM 1078 CE1 PHE A 73 1.694 -8.337 2.746 1.00 0.00 C ATOM 1079 CE2 PHE A 73 0.602 -9.706 4.373 1.00 0.00 C ATOM 1080 CZ PHE A 73 1.466 -9.580 3.303 1.00 0.00 C ATOM 0 H PHE A 73 -1.796 -4.093 5.413 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.694 -5.757 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.159 -5.258 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.655 -6.264 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.243 -6.254 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.702 -8.692 5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.368 -8.236 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.420 -10.677 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.962 -10.452 2.903 1.00 0.00 H new ATOM 1090 N ILE A 74 -2.880 -7.925 3.620 1.00 0.00 N ATOM 1091 CA ILE A 74 -3.783 -9.058 3.780 1.00 0.00 C ATOM 1092 C ILE A 74 -3.068 -10.375 3.499 1.00 0.00 C ATOM 1093 O ILE A 74 -2.880 -10.758 2.344 1.00 0.00 O ATOM 1094 CB ILE A 74 -5.003 -8.941 2.847 1.00 0.00 C ATOM 1095 CG1 ILE A 74 -5.731 -7.616 3.088 1.00 0.00 C ATOM 1096 CG2 ILE A 74 -5.946 -10.116 3.059 1.00 0.00 C ATOM 1097 CD1 ILE A 74 -6.871 -7.370 2.125 1.00 0.00 C ATOM 0 H ILE A 74 -2.307 -7.958 2.777 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.124 -9.046 4.815 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.656 -8.961 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.118 -7.603 4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.015 -6.798 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.803 -10.019 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.422 -11.047 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.290 -10.125 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.341 -6.414 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.488 -7.350 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.607 -8.168 2.221 1.00 0.00 H new ATOM 1109 N TYR A 75 -2.673 -11.065 4.563 1.00 0.00 N ATOM 1110 CA TYR A 75 -1.978 -12.340 4.432 1.00 0.00 C ATOM 1111 C TYR A 75 -2.961 -13.469 4.138 1.00 0.00 C ATOM 1112 O TYR A 75 -3.472 -14.116 5.053 1.00 0.00 O ATOM 1113 CB TYR A 75 -1.193 -12.651 5.708 1.00 0.00 C ATOM 1114 CG TYR A 75 -0.111 -13.689 5.516 1.00 0.00 C ATOM 1115 CD1 TYR A 75 -0.430 -15.032 5.358 1.00 0.00 C ATOM 1116 CD2 TYR A 75 1.230 -13.327 5.493 1.00 0.00 C ATOM 1117 CE1 TYR A 75 0.556 -15.984 5.183 1.00 0.00 C ATOM 1118 CE2 TYR A 75 2.222 -14.272 5.317 1.00 0.00 C ATOM 1119 CZ TYR A 75 1.880 -15.599 5.163 1.00 0.00 C ATOM 1120 OH TYR A 75 2.866 -16.544 4.988 1.00 0.00 O ATOM 0 H TYR A 75 -2.822 -10.763 5.526 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.283 -12.261 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.741 -11.731 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.885 -12.998 6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.466 -15.337 5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.502 -12.289 5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.291 -17.024 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.260 -13.973 5.300 1.00 0.00 H new ATOM 0 HH TYR A 75 2.790 -16.934 4.092 1.00 0.00 H new ATOM 1130 N CYS A 76 -3.220 -13.700 2.856 1.00 0.00 N ATOM 1131 CA CYS A 76 -4.142 -14.750 2.439 1.00 0.00 C ATOM 1132 C CYS A 76 -3.399 -16.058 2.188 1.00 0.00 C ATOM 1133 O CYS A 76 -2.380 -16.080 1.498 1.00 0.00 O ATOM 1134 CB CYS A 76 -4.894 -14.326 1.177 1.00 0.00 C ATOM 1135 SG CYS A 76 -6.061 -15.563 0.562 1.00 0.00 S ATOM 0 H CYS A 76 -2.804 -13.174 2.087 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.860 -14.910 3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.435 -13.402 1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.170 -14.104 0.393 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.649 -15.112 -0.506 1.00 0.00 H new ATOM 1141 N GLN A 77 -3.915 -17.144 2.754 1.00 0.00 N ATOM 1142 CA GLN A 77 -3.297 -18.455 2.593 1.00 0.00 C ATOM 1143 C GLN A 77 -4.109 -19.325 1.639 1.00 0.00 C ATOM 1144 O GLN A 77 -5.235 -19.718 1.946 1.00 0.00 O ATOM 1145 CB GLN A 77 -3.166 -19.150 3.949 1.00 0.00 C ATOM 1146 CG GLN A 77 -2.335 -18.370 4.955 1.00 0.00 C ATOM 1147 CD GLN A 77 -2.768 -18.617 6.387 1.00 0.00 C ATOM 1148 OE1 GLN A 77 -2.592 -19.847 6.855 1.00 0.00 O flip ATOM 1149 NE2 GLN A 77 -3.256 -17.712 7.065 1.00 0.00 N flip ATOM 0 H GLN A 77 -4.758 -17.142 3.328 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.303 -18.311 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.162 -19.314 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.716 -20.132 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.286 -18.644 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.411 -17.305 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.373 -16.781 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.543 -17.893 8.027 1.00 0.00 H new ATOM 1158 N VAL A 78 -3.530 -19.623 0.480 1.00 0.00 N ATOM 1159 CA VAL A 78 -4.199 -20.447 -0.519 1.00 0.00 C ATOM 1160 C VAL A 78 -4.659 -21.772 0.080 1.00 0.00 C ATOM 1161 O VAL A 78 -5.814 -22.166 -0.071 1.00 0.00 O ATOM 1162 CB VAL A 78 -3.278 -20.732 -1.721 1.00 0.00 C ATOM 1163 CG1 VAL A 78 -2.933 -19.440 -2.446 1.00 0.00 C ATOM 1164 CG2 VAL A 78 -2.018 -21.452 -1.266 1.00 0.00 C ATOM 0 H VAL A 78 -2.599 -19.306 0.210 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.068 -19.885 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.808 -21.381 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.282 -19.660 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.848 -18.969 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.422 -18.764 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.379 -21.646 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.482 -20.830 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.289 -22.397 -0.795 1.00 0.00 H new ATOM 1174 N GLY A 79 -3.745 -22.456 0.761 1.00 0.00 N ATOM 1175 CA GLY A 79 -4.075 -23.730 1.373 1.00 0.00 C ATOM 1176 C GLY A 79 -2.855 -24.602 1.592 1.00 0.00 C ATOM 1177 O GLY A 79 -1.770 -24.101 1.888 1.00 0.00 O ATOM 0 H GLY A 79 -2.782 -22.151 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.568 -23.553 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.787 -24.260 0.740 1.00 0.00 H new ATOM 1181 N ASP A 80 -3.031 -25.911 1.447 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.935 -26.855 1.631 1.00 0.00 C ATOM 1183 C ASP A 80 -1.109 -26.984 0.355 1.00 0.00 C ATOM 1184 O ASP A 80 -1.529 -26.548 -0.717 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.478 -28.224 2.043 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.733 -28.120 2.886 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -3.609 -27.972 4.120 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -4.841 -28.186 2.312 1.00 0.00 O ATOM 0 H ASP A 80 -3.922 -26.342 1.203 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.289 -26.475 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.692 -28.811 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.712 -28.762 2.602 1.00 0.00 H new ATOM 1193 N LYS A 81 0.069 -27.586 0.477 1.00 0.00 N ATOM 1194 CA LYS A 81 0.955 -27.774 -0.665 1.00 0.00 C ATOM 1195 C LYS A 81 0.222 -28.453 -1.817 1.00 0.00 C ATOM 1196 O LYS A 81 0.225 -27.978 -2.953 1.00 0.00 O ATOM 1197 CB LYS A 81 2.173 -28.608 -0.260 1.00 0.00 C ATOM 1198 CG LYS A 81 3.463 -28.166 -0.930 1.00 0.00 C ATOM 1199 CD LYS A 81 4.672 -28.452 -0.055 1.00 0.00 C ATOM 1200 CE LYS A 81 5.091 -29.912 -0.144 1.00 0.00 C ATOM 1201 NZ LYS A 81 4.234 -30.788 0.701 1.00 0.00 N ATOM 0 H LYS A 81 0.432 -27.952 1.357 1.00 0.00 H new ATOM 0 HA LYS A 81 1.289 -26.792 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.298 -28.552 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.985 -29.653 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.573 -28.681 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.414 -27.099 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.502 -27.815 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.441 -28.201 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.037 -30.243 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.131 -30.011 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.793 -31.596 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.878 -30.246 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.431 -31.136 0.138 1.00 0.00 H new ATOM 1215 N PRO A 82 -0.425 -29.590 -1.520 1.00 0.00 N ATOM 1216 CA PRO A 82 -1.177 -30.357 -2.518 1.00 0.00 C ATOM 1217 C PRO A 82 -2.445 -29.639 -2.966 1.00 0.00 C ATOM 1218 O PRO A 82 -3.134 -30.088 -3.882 1.00 0.00 O ATOM 1219 CB PRO A 82 -1.528 -31.651 -1.779 1.00 0.00 C ATOM 1220 CG PRO A 82 -1.525 -31.277 -0.337 1.00 0.00 C ATOM 1221 CD PRO A 82 -0.472 -30.215 -0.187 1.00 0.00 C ATOM 0 HA PRO A 82 -0.602 -30.513 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.502 -32.031 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.800 -32.435 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.502 -30.904 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.301 -32.140 0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.736 -29.493 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.492 -30.641 0.091 1.00 0.00 H new ATOM 1229 N TYR A 83 -2.747 -28.520 -2.316 1.00 0.00 N ATOM 1230 CA TYR A 83 -3.933 -27.740 -2.647 1.00 0.00 C ATOM 1231 C TYR A 83 -3.601 -26.643 -3.654 1.00 0.00 C ATOM 1232 O TYR A 83 -4.360 -26.393 -4.590 1.00 0.00 O ATOM 1233 CB TYR A 83 -4.533 -27.123 -1.383 1.00 0.00 C ATOM 1234 CG TYR A 83 -5.723 -26.230 -1.650 1.00 0.00 C ATOM 1235 CD1 TYR A 83 -5.550 -24.908 -2.044 1.00 0.00 C ATOM 1236 CD2 TYR A 83 -7.020 -26.708 -1.511 1.00 0.00 C ATOM 1237 CE1 TYR A 83 -6.635 -24.089 -2.288 1.00 0.00 C ATOM 1238 CE2 TYR A 83 -8.111 -25.895 -1.755 1.00 0.00 C ATOM 1239 CZ TYR A 83 -7.913 -24.587 -2.143 1.00 0.00 C ATOM 1240 OH TYR A 83 -8.996 -23.774 -2.388 1.00 0.00 O ATOM 0 H TYR A 83 -2.186 -28.133 -1.557 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.664 -28.412 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.834 -27.923 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.764 -26.545 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.551 -24.515 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.179 -27.732 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.483 -23.063 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.113 -26.282 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.823 -24.278 -2.241 1.00 0.00 H new ATOM 1250 N TRP A 84 -2.460 -25.993 -3.454 1.00 0.00 N ATOM 1251 CA TRP A 84 -2.025 -24.922 -4.345 1.00 0.00 C ATOM 1252 C TRP A 84 -1.932 -25.416 -5.784 1.00 0.00 C ATOM 1253 O TRP A 84 -2.449 -24.781 -6.704 1.00 0.00 O ATOM 1254 CB TRP A 84 -0.672 -24.373 -3.892 1.00 0.00 C ATOM 1255 CG TRP A 84 -0.004 -23.514 -4.922 1.00 0.00 C ATOM 1256 CD1 TRP A 84 1.275 -23.634 -5.386 1.00 0.00 C ATOM 1257 CD2 TRP A 84 -0.582 -22.402 -5.616 1.00 0.00 C ATOM 1258 NE1 TRP A 84 1.527 -22.663 -6.326 1.00 0.00 N ATOM 1259 CE2 TRP A 84 0.404 -21.896 -6.485 1.00 0.00 C ATOM 1260 CE3 TRP A 84 -1.836 -21.786 -5.588 1.00 0.00 C ATOM 1261 CZ2 TRP A 84 0.173 -20.803 -7.317 1.00 0.00 C ATOM 1262 CZ3 TRP A 84 -2.064 -20.702 -6.413 1.00 0.00 C ATOM 1263 CH2 TRP A 84 -1.064 -20.219 -7.269 1.00 0.00 C ATOM 0 H TRP A 84 -1.820 -26.188 -2.684 1.00 0.00 H new ATOM 0 HA TRP A 84 -2.766 -24.123 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.811 -23.793 -2.980 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.015 -25.206 -3.643 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.984 -24.382 -5.062 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.408 -22.535 -6.824 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.613 -22.151 -4.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.942 -20.430 -7.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.029 -20.218 -6.399 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.274 -19.370 -7.903 1.00 0.00 H new ATOM 1274 N LYS A 85 -1.269 -26.551 -5.974 1.00 0.00 N ATOM 1275 CA LYS A 85 -1.109 -27.132 -7.302 1.00 0.00 C ATOM 1276 C LYS A 85 -2.423 -27.094 -8.075 1.00 0.00 C ATOM 1277 O LYS A 85 -2.445 -26.784 -9.266 1.00 0.00 O ATOM 1278 CB LYS A 85 -0.609 -28.574 -7.194 1.00 0.00 C ATOM 1279 CG LYS A 85 0.878 -28.683 -6.907 1.00 0.00 C ATOM 1280 CD LYS A 85 1.283 -30.115 -6.601 1.00 0.00 C ATOM 1281 CE LYS A 85 2.526 -30.168 -5.725 1.00 0.00 C ATOM 1282 NZ LYS A 85 3.766 -29.902 -6.506 1.00 0.00 N ATOM 0 H LYS A 85 -0.833 -27.088 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.372 -26.539 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.161 -29.083 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.830 -29.097 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.443 -28.320 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.134 -28.043 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.462 -30.627 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.470 -30.648 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.437 -29.435 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.597 -31.148 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.591 -29.947 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.864 -30.617 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.710 -28.956 -6.935 1.00 0.00 H new ATOM 1296 N ASP A 86 -3.516 -27.409 -7.389 1.00 0.00 N ATOM 1297 CA ASP A 86 -4.836 -27.409 -8.010 1.00 0.00 C ATOM 1298 C ASP A 86 -4.992 -26.220 -8.953 1.00 0.00 C ATOM 1299 O ASP A 86 -5.232 -25.089 -8.530 1.00 0.00 O ATOM 1300 CB ASP A 86 -5.927 -27.374 -6.940 1.00 0.00 C ATOM 1301 CG ASP A 86 -5.616 -28.282 -5.766 1.00 0.00 C ATOM 1302 OD1 ASP A 86 -4.561 -28.949 -5.796 1.00 0.00 O ATOM 1303 OD2 ASP A 86 -6.429 -28.326 -4.818 1.00 0.00 O ATOM 0 H ASP A 86 -3.514 -27.668 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.938 -28.326 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.049 -26.351 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.877 -27.671 -7.384 1.00 0.00 H new ATOM 1308 N PRO A 87 -4.851 -26.478 -10.261 1.00 0.00 N ATOM 1309 CA PRO A 87 -4.972 -25.442 -11.291 1.00 0.00 C ATOM 1310 C PRO A 87 -6.404 -24.941 -11.444 1.00 0.00 C ATOM 1311 O PRO A 87 -6.655 -23.947 -12.123 1.00 0.00 O ATOM 1312 CB PRO A 87 -4.516 -26.154 -12.566 1.00 0.00 C ATOM 1313 CG PRO A 87 -4.781 -27.598 -12.310 1.00 0.00 C ATOM 1314 CD PRO A 87 -4.564 -27.803 -10.837 1.00 0.00 C ATOM 0 HA PRO A 87 -4.385 -24.556 -11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.067 -25.799 -13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.459 -25.974 -12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.799 -27.865 -12.596 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.110 -28.228 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.229 -28.568 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.544 -28.122 -10.622 1.00 0.00 H new ATOM 1322 N ASN A 88 -7.341 -25.637 -10.807 1.00 0.00 N ATOM 1323 CA ASN A 88 -8.749 -25.262 -10.872 1.00 0.00 C ATOM 1324 C ASN A 88 -9.181 -24.545 -9.597 1.00 0.00 C ATOM 1325 O ASN A 88 -10.322 -24.676 -9.156 1.00 0.00 O ATOM 1326 CB ASN A 88 -9.618 -26.501 -11.094 1.00 0.00 C ATOM 1327 CG ASN A 88 -9.294 -27.210 -12.395 1.00 0.00 C ATOM 1328 OD1 ASN A 88 -9.480 -26.657 -13.479 1.00 0.00 O ATOM 1329 ND2 ASN A 88 -8.806 -28.441 -12.292 1.00 0.00 N ATOM 0 H ASN A 88 -7.150 -26.463 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.879 -24.580 -11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.479 -27.192 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.668 -26.209 -11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.569 -28.968 -13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.668 -28.860 -11.372 1.00 0.00 H new ATOM 1336 N ASN A 89 -8.261 -23.787 -9.010 1.00 0.00 N ATOM 1337 CA ASN A 89 -8.546 -23.049 -7.785 1.00 0.00 C ATOM 1338 C ASN A 89 -9.169 -21.692 -8.100 1.00 0.00 C ATOM 1339 O ASN A 89 -9.057 -21.191 -9.219 1.00 0.00 O ATOM 1340 CB ASN A 89 -7.266 -22.858 -6.969 1.00 0.00 C ATOM 1341 CG ASN A 89 -6.985 -24.032 -6.052 1.00 0.00 C ATOM 1342 OD1 ASN A 89 -7.866 -24.849 -5.783 1.00 0.00 O ATOM 1343 ND2 ASN A 89 -5.752 -24.121 -5.565 1.00 0.00 N ATOM 0 H ASN A 89 -7.311 -23.668 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.259 -23.629 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.423 -22.720 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.350 -21.948 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.504 -24.889 -4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.053 -23.421 -5.815 1.00 0.00 H new ATOM 1350 N ASP A 90 -9.823 -21.102 -7.106 1.00 0.00 N ATOM 1351 CA ASP A 90 -10.462 -19.803 -7.276 1.00 0.00 C ATOM 1352 C ASP A 90 -9.420 -18.706 -7.471 1.00 0.00 C ATOM 1353 O ASP A 90 -9.716 -17.644 -8.019 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.340 -19.480 -6.065 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.365 -20.561 -5.788 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -12.039 -21.512 -5.046 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -13.493 -20.457 -6.312 1.00 0.00 O ATOM 0 H ASP A 90 -9.925 -21.503 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.088 -19.848 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.708 -19.349 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.852 -18.533 -6.234 1.00 0.00 H new ATOM 1362 N PHE A 91 -8.199 -18.970 -7.019 1.00 0.00 N ATOM 1363 CA PHE A 91 -7.112 -18.005 -7.142 1.00 0.00 C ATOM 1364 C PHE A 91 -6.601 -17.943 -8.578 1.00 0.00 C ATOM 1365 O PHE A 91 -6.348 -16.862 -9.112 1.00 0.00 O ATOM 1366 CB PHE A 91 -5.967 -18.371 -6.196 1.00 0.00 C ATOM 1367 CG PHE A 91 -6.382 -18.451 -4.755 1.00 0.00 C ATOM 1368 CD1 PHE A 91 -6.473 -17.305 -3.982 1.00 0.00 C ATOM 1369 CD2 PHE A 91 -6.681 -19.672 -4.173 1.00 0.00 C ATOM 1370 CE1 PHE A 91 -6.854 -17.375 -2.655 1.00 0.00 C ATOM 1371 CE2 PHE A 91 -7.063 -19.749 -2.847 1.00 0.00 C ATOM 1372 CZ PHE A 91 -7.150 -18.599 -2.087 1.00 0.00 C ATOM 0 H PHE A 91 -7.937 -19.844 -6.564 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.498 -17.023 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.549 -19.331 -6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.173 -17.631 -6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.244 -16.345 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.615 -20.575 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.920 -16.474 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.293 -20.707 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.449 -18.657 -1.051 1.00 0.00 H new ATOM 1382 N ARG A 92 -6.451 -19.109 -9.198 1.00 0.00 N ATOM 1383 CA ARG A 92 -5.968 -19.188 -10.571 1.00 0.00 C ATOM 1384 C ARG A 92 -7.122 -19.063 -11.561 1.00 0.00 C ATOM 1385 O ARG A 92 -6.907 -18.963 -12.769 1.00 0.00 O ATOM 1386 CB ARG A 92 -5.227 -20.506 -10.799 1.00 0.00 C ATOM 1387 CG ARG A 92 -4.137 -20.778 -9.774 1.00 0.00 C ATOM 1388 CD ARG A 92 -3.796 -22.258 -9.702 1.00 0.00 C ATOM 1389 NE ARG A 92 -2.425 -22.482 -9.249 1.00 0.00 N ATOM 1390 CZ ARG A 92 -1.353 -22.111 -9.940 1.00 0.00 C ATOM 1391 NH1 ARG A 92 -1.492 -21.500 -11.109 1.00 0.00 N ATOM 1392 NH2 ARG A 92 -0.139 -22.350 -9.462 1.00 0.00 N ATOM 0 H ARG A 92 -6.657 -20.012 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.279 -18.359 -10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.946 -21.325 -10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.783 -20.496 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.243 -20.210 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.463 -20.431 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.488 -22.757 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.932 -22.710 -10.685 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.283 -22.949 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.424 -21.314 -11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.667 -21.216 -11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.028 -22.819 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.684 -22.065 -9.993 1.00 0.00 H new ATOM 1406 N GLN A 93 -8.345 -19.070 -11.041 1.00 0.00 N ATOM 1407 CA GLN A 93 -9.532 -18.959 -11.880 1.00 0.00 C ATOM 1408 C GLN A 93 -10.087 -17.539 -11.853 1.00 0.00 C ATOM 1409 O GLN A 93 -10.543 -17.019 -12.872 1.00 0.00 O ATOM 1410 CB GLN A 93 -10.604 -19.947 -11.416 1.00 0.00 C ATOM 1411 CG GLN A 93 -10.191 -21.403 -11.557 1.00 0.00 C ATOM 1412 CD GLN A 93 -10.543 -21.981 -12.913 1.00 0.00 C ATOM 1413 OE1 GLN A 93 -11.691 -22.347 -13.166 1.00 0.00 O ATOM 1414 NE2 GLN A 93 -9.554 -22.066 -13.795 1.00 0.00 N ATOM 0 H GLN A 93 -8.540 -19.151 -10.043 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.246 -19.198 -12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.844 -19.746 -10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.515 -19.779 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.116 -21.489 -11.398 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.677 -21.991 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.617 -21.751 -13.543 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.731 -22.447 -14.725 1.00 0.00 H new ATOM 1423 N LYS A 94 -10.045 -16.915 -10.680 1.00 0.00 N ATOM 1424 CA LYS A 94 -10.542 -15.554 -10.520 1.00 0.00 C ATOM 1425 C LYS A 94 -9.389 -14.556 -10.465 1.00 0.00 C ATOM 1426 O LYS A 94 -9.369 -13.574 -11.209 1.00 0.00 O ATOM 1427 CB LYS A 94 -11.386 -15.444 -9.248 1.00 0.00 C ATOM 1428 CG LYS A 94 -12.460 -16.512 -9.136 1.00 0.00 C ATOM 1429 CD LYS A 94 -13.630 -16.041 -8.289 1.00 0.00 C ATOM 1430 CE LYS A 94 -14.449 -17.212 -7.769 1.00 0.00 C ATOM 1431 NZ LYS A 94 -15.378 -17.742 -8.805 1.00 0.00 N ATOM 0 H LYS A 94 -9.672 -17.331 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.164 -15.317 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.730 -15.508 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.858 -14.462 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.815 -16.778 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.033 -17.414 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.259 -15.454 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.268 -15.384 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.779 -18.007 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.020 -16.896 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.918 -18.539 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.034 -16.991 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.831 -18.067 -9.628 1.00 0.00 H new ATOM 1445 N LEU A 95 -8.431 -14.814 -9.582 1.00 0.00 N ATOM 1446 CA LEU A 95 -7.274 -13.939 -9.431 1.00 0.00 C ATOM 1447 C LEU A 95 -6.189 -14.293 -10.444 1.00 0.00 C ATOM 1448 O LEU A 95 -5.208 -13.565 -10.599 1.00 0.00 O ATOM 1449 CB LEU A 95 -6.714 -14.041 -8.011 1.00 0.00 C ATOM 1450 CG LEU A 95 -7.674 -13.661 -6.883 1.00 0.00 C ATOM 1451 CD1 LEU A 95 -7.098 -14.063 -5.534 1.00 0.00 C ATOM 1452 CD2 LEU A 95 -7.971 -12.169 -6.915 1.00 0.00 C ATOM 0 H LEU A 95 -8.432 -15.622 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.598 -12.914 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.379 -15.065 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.833 -13.403 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.610 -14.200 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.795 -13.785 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.938 -15.141 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.148 -13.552 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.656 -11.917 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.043 -11.611 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.427 -11.909 -7.870 1.00 0.00 H new ATOM 1464 N LYS A 96 -6.373 -15.414 -11.133 1.00 0.00 N ATOM 1465 CA LYS A 96 -5.412 -15.864 -12.133 1.00 0.00 C ATOM 1466 C LYS A 96 -3.983 -15.712 -11.623 1.00 0.00 C ATOM 1467 O LYS A 96 -3.139 -15.107 -12.285 1.00 0.00 O ATOM 1468 CB LYS A 96 -5.589 -15.072 -13.431 1.00 0.00 C ATOM 1469 CG LYS A 96 -6.588 -15.694 -14.392 1.00 0.00 C ATOM 1470 CD LYS A 96 -8.016 -15.506 -13.909 1.00 0.00 C ATOM 1471 CE LYS A 96 -8.602 -14.190 -14.399 1.00 0.00 C ATOM 1472 NZ LYS A 96 -7.936 -13.018 -13.767 1.00 0.00 N ATOM 0 H LYS A 96 -7.179 -16.028 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.597 -16.920 -12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.913 -14.060 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.623 -14.986 -13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.474 -15.244 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.376 -16.758 -14.500 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.632 -16.333 -14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.039 -15.533 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.498 -14.127 -15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.669 -14.163 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.559 -12.188 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.740 -13.227 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.042 -12.819 -14.260 1.00 0.00 H new ATOM 1486 N ILE A 97 -3.718 -16.266 -10.445 1.00 0.00 N ATOM 1487 CA ILE A 97 -2.390 -16.194 -9.848 1.00 0.00 C ATOM 1488 C ILE A 97 -1.369 -16.957 -10.685 1.00 0.00 C ATOM 1489 O ILE A 97 -1.692 -17.968 -11.310 1.00 0.00 O ATOM 1490 CB ILE A 97 -2.386 -16.757 -8.415 1.00 0.00 C ATOM 1491 CG1 ILE A 97 -3.378 -15.990 -7.539 1.00 0.00 C ATOM 1492 CG2 ILE A 97 -0.986 -16.688 -7.823 1.00 0.00 C ATOM 1493 CD1 ILE A 97 -3.135 -14.497 -7.516 1.00 0.00 C ATOM 0 H ILE A 97 -4.405 -16.770 -9.885 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.115 -15.140 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.694 -17.802 -8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.390 -16.180 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.324 -16.375 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.999 -17.090 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.302 -17.274 -8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.652 -15.651 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.875 -14.018 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.136 -14.297 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.218 -14.099 -8.527 1.00 0.00 H new ATOM 1505 N THR A 98 -0.133 -16.467 -10.693 1.00 0.00 N ATOM 1506 CA THR A 98 0.936 -17.102 -11.453 1.00 0.00 C ATOM 1507 C THR A 98 1.700 -18.104 -10.594 1.00 0.00 C ATOM 1508 O THR A 98 1.667 -19.307 -10.851 1.00 0.00 O ATOM 1509 CB THR A 98 1.925 -16.061 -12.009 1.00 0.00 C ATOM 1510 OG1 THR A 98 1.344 -15.381 -13.127 1.00 0.00 O ATOM 1511 CG2 THR A 98 3.227 -16.723 -12.433 1.00 0.00 C ATOM 0 H THR A 98 0.152 -15.632 -10.181 1.00 0.00 H new ATOM 0 HA THR A 98 0.465 -17.625 -12.285 1.00 0.00 H new ATOM 0 HB THR A 98 2.142 -15.342 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.979 -14.720 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.909 -15.967 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.682 -17.215 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.024 -17.462 -13.208 1.00 0.00 H new ATOM 1519 N ALA A 99 2.386 -17.600 -9.574 1.00 0.00 N ATOM 1520 CA ALA A 99 3.156 -18.451 -8.676 1.00 0.00 C ATOM 1521 C ALA A 99 3.268 -17.827 -7.289 1.00 0.00 C ATOM 1522 O ALA A 99 3.677 -16.675 -7.147 1.00 0.00 O ATOM 1523 CB ALA A 99 4.539 -18.712 -9.252 1.00 0.00 C ATOM 0 H ALA A 99 2.424 -16.606 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 99 2.631 -19.401 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.103 -19.349 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.443 -19.209 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.064 -17.765 -9.382 1.00 0.00 H new ATOM 1529 N VAL A 100 2.901 -18.595 -6.268 1.00 0.00 N ATOM 1530 CA VAL A 100 2.960 -18.118 -4.892 1.00 0.00 C ATOM 1531 C VAL A 100 4.369 -18.253 -4.323 1.00 0.00 C ATOM 1532 O VAL A 100 5.131 -19.147 -4.693 1.00 0.00 O ATOM 1533 CB VAL A 100 1.978 -18.886 -3.988 1.00 0.00 C ATOM 1534 CG1 VAL A 100 0.598 -18.941 -4.625 1.00 0.00 C ATOM 1535 CG2 VAL A 100 2.500 -20.286 -3.703 1.00 0.00 C ATOM 0 H VAL A 100 2.559 -19.551 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 100 2.677 -17.065 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 100 1.893 -18.356 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.083 -19.487 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.224 -17.928 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.662 -19.447 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.794 -20.814 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.616 -20.829 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.465 -20.219 -3.201 1.00 0.00 H new ATOM 1545 N PRO A 101 4.725 -17.346 -3.402 1.00 0.00 N ATOM 1546 CA PRO A 101 3.826 -16.278 -2.954 1.00 0.00 C ATOM 1547 C PRO A 101 3.588 -15.229 -4.036 1.00 0.00 C ATOM 1548 O PRO A 101 4.493 -14.895 -4.801 1.00 0.00 O ATOM 1549 CB PRO A 101 4.571 -15.661 -1.768 1.00 0.00 C ATOM 1550 CG PRO A 101 6.008 -15.964 -2.024 1.00 0.00 C ATOM 1551 CD PRO A 101 6.032 -17.293 -2.726 1.00 0.00 C ATOM 0 HA PRO A 101 2.836 -16.658 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.398 -14.587 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.238 -16.092 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.467 -15.190 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.570 -16.005 -1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.855 -17.357 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.154 -18.117 -2.023 1.00 0.00 H new ATOM 1559 N THR A 102 2.364 -14.713 -4.095 1.00 0.00 N ATOM 1560 CA THR A 102 2.007 -13.704 -5.083 1.00 0.00 C ATOM 1561 C THR A 102 1.501 -12.432 -4.412 1.00 0.00 C ATOM 1562 O THR A 102 0.425 -12.421 -3.812 1.00 0.00 O ATOM 1563 CB THR A 102 0.929 -14.223 -6.052 1.00 0.00 C ATOM 1564 OG1 THR A 102 1.392 -15.407 -6.711 1.00 0.00 O ATOM 1565 CG2 THR A 102 0.577 -13.166 -7.088 1.00 0.00 C ATOM 0 H THR A 102 1.603 -14.978 -3.469 1.00 0.00 H new ATOM 0 HA THR A 102 2.913 -13.479 -5.646 1.00 0.00 H new ATOM 0 HB THR A 102 0.034 -14.455 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.364 -15.479 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.186 -13.556 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.197 -12.276 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.468 -12.907 -7.661 1.00 0.00 H new ATOM 1573 N LEU A 103 2.281 -11.362 -4.517 1.00 0.00 N ATOM 1574 CA LEU A 103 1.911 -10.084 -3.920 1.00 0.00 C ATOM 1575 C LEU A 103 1.199 -9.195 -4.935 1.00 0.00 C ATOM 1576 O LEU A 103 1.834 -8.587 -5.798 1.00 0.00 O ATOM 1577 CB LEU A 103 3.153 -9.370 -3.383 1.00 0.00 C ATOM 1578 CG LEU A 103 2.903 -8.063 -2.631 1.00 0.00 C ATOM 1579 CD1 LEU A 103 2.255 -8.338 -1.283 1.00 0.00 C ATOM 1580 CD2 LEU A 103 4.204 -7.293 -2.453 1.00 0.00 C ATOM 0 H LEU A 103 3.174 -11.354 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 103 1.228 -10.281 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.681 -10.053 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.819 -9.162 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 103 2.220 -7.452 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.085 -7.396 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.303 -8.846 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.912 -8.969 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.007 -6.365 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.910 -7.898 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.627 -7.063 -3.431 1.00 0.00 H new ATOM 1592 N LEU A 104 -0.123 -9.121 -4.825 1.00 0.00 N ATOM 1593 CA LEU A 104 -0.922 -8.305 -5.732 1.00 0.00 C ATOM 1594 C LEU A 104 -1.374 -7.017 -5.050 1.00 0.00 C ATOM 1595 O LEU A 104 -1.899 -7.043 -3.937 1.00 0.00 O ATOM 1596 CB LEU A 104 -2.140 -9.091 -6.220 1.00 0.00 C ATOM 1597 CG LEU A 104 -3.335 -8.259 -6.684 1.00 0.00 C ATOM 1598 CD1 LEU A 104 -3.028 -7.575 -8.007 1.00 0.00 C ATOM 1599 CD2 LEU A 104 -4.577 -9.130 -6.807 1.00 0.00 C ATOM 0 H LEU A 104 -0.664 -9.616 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.300 -8.043 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.827 -9.732 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.470 -9.747 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.529 -7.489 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.890 -6.987 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.166 -6.919 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.807 -8.328 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.418 -8.520 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.395 -9.923 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.809 -9.572 -5.838 1.00 0.00 H new ATOM 1611 N LYS A 105 -1.169 -5.892 -5.726 1.00 0.00 N ATOM 1612 CA LYS A 105 -1.558 -4.594 -5.188 1.00 0.00 C ATOM 1613 C LYS A 105 -2.953 -4.204 -5.664 1.00 0.00 C ATOM 1614 O LYS A 105 -3.111 -3.597 -6.724 1.00 0.00 O ATOM 1615 CB LYS A 105 -0.547 -3.523 -5.605 1.00 0.00 C ATOM 1616 CG LYS A 105 -0.808 -2.164 -4.978 1.00 0.00 C ATOM 1617 CD LYS A 105 0.349 -1.208 -5.216 1.00 0.00 C ATOM 1618 CE LYS A 105 -0.037 0.227 -4.892 1.00 0.00 C ATOM 1619 NZ LYS A 105 1.004 1.195 -5.335 1.00 0.00 N ATOM 0 H LYS A 105 -0.735 -5.853 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.572 -4.668 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.455 -3.854 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.563 -3.422 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.722 -1.740 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.969 -2.282 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.199 -1.504 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.669 -1.274 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.984 0.466 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.193 0.327 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.212 1.859 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.870 0.680 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.658 1.723 -6.161 1.00 0.00 H new ATOM 1633 N TYR A 106 -3.962 -4.555 -4.875 1.00 0.00 N ATOM 1634 CA TYR A 106 -5.345 -4.242 -5.217 1.00 0.00 C ATOM 1635 C TYR A 106 -5.470 -2.808 -5.723 1.00 0.00 C ATOM 1636 O TYR A 106 -5.340 -1.854 -4.958 1.00 0.00 O ATOM 1637 CB TYR A 106 -6.251 -4.446 -4.002 1.00 0.00 C ATOM 1638 CG TYR A 106 -7.666 -4.840 -4.361 1.00 0.00 C ATOM 1639 CD1 TYR A 106 -7.927 -6.013 -5.057 1.00 0.00 C ATOM 1640 CD2 TYR A 106 -8.743 -4.038 -4.003 1.00 0.00 C ATOM 1641 CE1 TYR A 106 -9.218 -6.376 -5.389 1.00 0.00 C ATOM 1642 CE2 TYR A 106 -10.038 -4.393 -4.329 1.00 0.00 C ATOM 1643 CZ TYR A 106 -10.270 -5.563 -5.022 1.00 0.00 C ATOM 1644 OH TYR A 106 -11.558 -5.921 -5.349 1.00 0.00 O ATOM 0 H TYR A 106 -3.849 -5.056 -3.994 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.658 -4.918 -6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.819 -5.216 -3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.276 -3.525 -3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.106 -6.653 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.565 -3.121 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.402 -7.291 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.864 -3.758 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.181 -5.241 -5.017 1.00 0.00 H new ATOM 1654 N GLY A 107 -5.724 -2.666 -7.020 1.00 0.00 N ATOM 1655 CA GLY A 107 -5.863 -1.347 -7.609 1.00 0.00 C ATOM 1656 C GLY A 107 -4.941 -1.140 -8.794 1.00 0.00 C ATOM 1657 O GLY A 107 -5.255 -0.379 -9.710 1.00 0.00 O ATOM 0 H GLY A 107 -5.836 -3.441 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.896 -1.201 -7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.652 -0.591 -6.853 1.00 0.00 H new ATOM 1661 N THR A 108 -3.798 -1.819 -8.778 1.00 0.00 N ATOM 1662 CA THR A 108 -2.826 -1.704 -9.858 1.00 0.00 C ATOM 1663 C THR A 108 -2.322 -3.076 -10.292 1.00 0.00 C ATOM 1664 O THR A 108 -2.222 -4.008 -9.494 1.00 0.00 O ATOM 1665 CB THR A 108 -1.624 -0.836 -9.442 1.00 0.00 C ATOM 1666 OG1 THR A 108 -0.923 -1.456 -8.359 1.00 0.00 O ATOM 1667 CG2 THR A 108 -2.079 0.555 -9.028 1.00 0.00 C ATOM 0 H THR A 108 -3.523 -2.454 -8.029 1.00 0.00 H new ATOM 0 HA THR A 108 -3.337 -1.226 -10.694 1.00 0.00 H new ATOM 0 HB THR A 108 -0.957 -0.743 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.013 -1.095 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.213 1.150 -8.738 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.586 1.036 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.764 0.477 -8.184 1.00 0.00 H new ATOM 1675 N PRO A 109 -1.995 -3.205 -11.587 1.00 0.00 N ATOM 1676 CA PRO A 109 -1.494 -4.460 -12.155 1.00 0.00 C ATOM 1677 C PRO A 109 -0.090 -4.798 -11.666 1.00 0.00 C ATOM 1678 O PRO A 109 0.480 -5.820 -12.047 1.00 0.00 O ATOM 1679 CB PRO A 109 -1.484 -4.187 -13.661 1.00 0.00 C ATOM 1680 CG PRO A 109 -1.358 -2.707 -13.778 1.00 0.00 C ATOM 1681 CD PRO A 109 -2.089 -2.135 -12.595 1.00 0.00 C ATOM 0 HA PRO A 109 -2.108 -5.313 -11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.652 -4.695 -14.150 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.398 -4.545 -14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.311 -2.403 -13.774 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.790 -2.351 -14.713 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.627 -1.212 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.126 -1.901 -12.838 1.00 0.00 H new ATOM 1689 N GLN A 110 0.461 -3.934 -10.819 1.00 0.00 N ATOM 1690 CA GLN A 110 1.799 -4.143 -10.278 1.00 0.00 C ATOM 1691 C GLN A 110 1.781 -5.194 -9.174 1.00 0.00 C ATOM 1692 O GLN A 110 1.177 -4.994 -8.120 1.00 0.00 O ATOM 1693 CB GLN A 110 2.364 -2.828 -9.738 1.00 0.00 C ATOM 1694 CG GLN A 110 3.122 -2.019 -10.778 1.00 0.00 C ATOM 1695 CD GLN A 110 4.215 -1.163 -10.169 1.00 0.00 C ATOM 1696 OE1 GLN A 110 5.383 -1.270 -10.542 1.00 0.00 O ATOM 1697 NE2 GLN A 110 3.840 -0.306 -9.225 1.00 0.00 N ATOM 0 H GLN A 110 0.002 -3.084 -10.493 1.00 0.00 H new ATOM 0 HA GLN A 110 2.439 -4.501 -11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.545 -2.224 -9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.029 -3.044 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.562 -2.697 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.422 -1.379 -11.316 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.860 -0.251 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.532 0.296 -8.779 1.00 0.00 H new ATOM 1706 N LYS A 111 2.449 -6.316 -9.421 1.00 0.00 N ATOM 1707 CA LYS A 111 2.512 -7.400 -8.448 1.00 0.00 C ATOM 1708 C LYS A 111 3.933 -7.940 -8.326 1.00 0.00 C ATOM 1709 O LYS A 111 4.794 -7.645 -9.156 1.00 0.00 O ATOM 1710 CB LYS A 111 1.560 -8.529 -8.850 1.00 0.00 C ATOM 1711 CG LYS A 111 1.888 -9.153 -10.195 1.00 0.00 C ATOM 1712 CD LYS A 111 2.851 -10.320 -10.048 1.00 0.00 C ATOM 1713 CE LYS A 111 2.111 -11.624 -9.791 1.00 0.00 C ATOM 1714 NZ LYS A 111 1.032 -11.856 -10.791 1.00 0.00 N ATOM 0 H LYS A 111 2.955 -6.498 -10.288 1.00 0.00 H new ATOM 0 HA LYS A 111 2.208 -7.003 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.585 -9.304 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.542 -8.141 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.970 -9.496 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.325 -8.399 -10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.452 -10.414 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.540 -10.123 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.817 -12.454 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.680 -11.606 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.958 -12.874 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.127 -11.511 -10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.257 -11.345 -11.669 1.00 0.00 H new ATOM 1728 N LEU A 112 4.173 -8.732 -7.287 1.00 0.00 N ATOM 1729 CA LEU A 112 5.491 -9.314 -7.057 1.00 0.00 C ATOM 1730 C LEU A 112 5.390 -10.821 -6.838 1.00 0.00 C ATOM 1731 O LEU A 112 4.712 -11.281 -5.920 1.00 0.00 O ATOM 1732 CB LEU A 112 6.157 -8.656 -5.847 1.00 0.00 C ATOM 1733 CG LEU A 112 6.145 -7.127 -5.825 1.00 0.00 C ATOM 1734 CD1 LEU A 112 6.930 -6.605 -4.631 1.00 0.00 C ATOM 1735 CD2 LEU A 112 6.712 -6.570 -7.122 1.00 0.00 C ATOM 0 H LEU A 112 3.473 -8.986 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 112 6.100 -9.133 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.663 -9.017 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.193 -8.992 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 112 5.112 -6.792 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.911 -5.515 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.480 -6.976 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.962 -6.950 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.695 -5.481 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.739 -6.914 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.109 -6.916 -7.961 1.00 0.00 H new ATOM 1747 N VAL A 113 6.071 -11.583 -7.687 1.00 0.00 N ATOM 1748 CA VAL A 113 6.061 -13.038 -7.585 1.00 0.00 C ATOM 1749 C VAL A 113 7.106 -13.526 -6.589 1.00 0.00 C ATOM 1750 O VAL A 113 7.881 -12.736 -6.051 1.00 0.00 O ATOM 1751 CB VAL A 113 6.322 -13.698 -8.952 1.00 0.00 C ATOM 1752 CG1 VAL A 113 5.607 -15.037 -9.044 1.00 0.00 C ATOM 1753 CG2 VAL A 113 5.890 -12.775 -10.081 1.00 0.00 C ATOM 0 H VAL A 113 6.637 -11.218 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 113 5.069 -13.324 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 113 7.393 -13.878 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.803 -15.488 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.970 -15.698 -8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.534 -14.886 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.082 -13.258 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.825 -12.561 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.453 -11.843 -10.025 1.00 0.00 H new ATOM 1763 N GLU A 114 7.121 -14.833 -6.348 1.00 0.00 N ATOM 1764 CA GLU A 114 8.072 -15.427 -5.416 1.00 0.00 C ATOM 1765 C GLU A 114 9.395 -14.666 -5.430 1.00 0.00 C ATOM 1766 O GLU A 114 9.835 -14.146 -4.404 1.00 0.00 O ATOM 1767 CB GLU A 114 8.313 -16.897 -5.765 1.00 0.00 C ATOM 1768 CG GLU A 114 7.044 -17.656 -6.114 1.00 0.00 C ATOM 1769 CD GLU A 114 7.244 -19.159 -6.116 1.00 0.00 C ATOM 1770 OE1 GLU A 114 8.201 -19.631 -5.468 1.00 0.00 O ATOM 1771 OE2 GLU A 114 6.443 -19.863 -6.766 1.00 0.00 O ATOM 0 H GLU A 114 6.486 -15.501 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 114 7.647 -15.364 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.003 -16.953 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.799 -17.387 -4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.263 -17.398 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.694 -17.339 -7.096 1.00 0.00 H new ATOM 1778 N SER A 115 10.024 -14.606 -6.599 1.00 0.00 N ATOM 1779 CA SER A 115 11.298 -13.913 -6.747 1.00 0.00 C ATOM 1780 C SER A 115 11.165 -12.442 -6.363 1.00 0.00 C ATOM 1781 O SER A 115 11.964 -11.917 -5.588 1.00 0.00 O ATOM 1782 CB SER A 115 11.804 -14.032 -8.186 1.00 0.00 C ATOM 1783 OG SER A 115 13.212 -13.885 -8.245 1.00 0.00 O ATOM 0 H SER A 115 9.672 -15.029 -7.458 1.00 0.00 H new ATOM 0 HA SER A 115 12.018 -14.382 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.519 -15.001 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 115 11.329 -13.271 -8.806 1.00 0.00 H new ATOM 0 HG SER A 115 13.511 -13.967 -9.175 1.00 0.00 H new ATOM 1789 N GLU A 116 10.148 -11.784 -6.911 1.00 0.00 N ATOM 1790 CA GLU A 116 9.910 -10.373 -6.627 1.00 0.00 C ATOM 1791 C GLU A 116 9.482 -10.175 -5.176 1.00 0.00 C ATOM 1792 O GLU A 116 9.457 -9.052 -4.673 1.00 0.00 O ATOM 1793 CB GLU A 116 8.840 -9.815 -7.567 1.00 0.00 C ATOM 1794 CG GLU A 116 9.097 -10.120 -9.033 1.00 0.00 C ATOM 1795 CD GLU A 116 8.224 -9.299 -9.962 1.00 0.00 C ATOM 1796 OE1 GLU A 116 8.580 -8.132 -10.232 1.00 0.00 O ATOM 1797 OE2 GLU A 116 7.186 -9.821 -10.418 1.00 0.00 O ATOM 0 H GLU A 116 9.476 -12.205 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 116 10.843 -9.833 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.871 -10.225 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.780 -8.735 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.145 -9.928 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.920 -11.180 -9.216 1.00 0.00 H new ATOM 1804 N CYS A 117 9.146 -11.274 -4.510 1.00 0.00 N ATOM 1805 CA CYS A 117 8.717 -11.223 -3.116 1.00 0.00 C ATOM 1806 C CYS A 117 9.909 -11.365 -2.175 1.00 0.00 C ATOM 1807 O CYS A 117 9.809 -11.074 -0.982 1.00 0.00 O ATOM 1808 CB CYS A 117 7.695 -12.324 -2.834 1.00 0.00 C ATOM 1809 SG CYS A 117 6.018 -11.933 -3.386 1.00 0.00 S ATOM 0 H CYS A 117 9.162 -12.211 -4.912 1.00 0.00 H new ATOM 0 HA CYS A 117 8.252 -10.253 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.022 -13.242 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.676 -12.522 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 117 5.979 -11.928 -4.685 1.00 0.00 H new ATOM 1815 N CYS A 118 11.035 -11.815 -2.718 1.00 0.00 N ATOM 1816 CA CYS A 118 12.246 -11.999 -1.926 1.00 0.00 C ATOM 1817 C CYS A 118 13.247 -10.881 -2.196 1.00 0.00 C ATOM 1818 O CYS A 118 14.252 -10.753 -1.497 1.00 0.00 O ATOM 1819 CB CYS A 118 12.882 -13.355 -2.236 1.00 0.00 C ATOM 1820 SG CYS A 118 14.582 -13.526 -1.644 1.00 0.00 S ATOM 0 H CYS A 118 11.134 -12.059 -3.703 1.00 0.00 H new ATOM 0 HA CYS A 118 11.969 -11.968 -0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.272 -14.141 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.866 -13.513 -3.314 1.00 0.00 H new ATOM 0 HG CYS A 118 15.056 -12.354 -1.341 1.00 0.00 H new ATOM 1826 N GLN A 119 12.965 -10.075 -3.215 1.00 0.00 N ATOM 1827 CA GLN A 119 13.843 -8.969 -3.578 1.00 0.00 C ATOM 1828 C GLN A 119 13.373 -7.668 -2.937 1.00 0.00 C ATOM 1829 O GLN A 119 12.497 -6.984 -3.466 1.00 0.00 O ATOM 1830 CB GLN A 119 13.897 -8.811 -5.099 1.00 0.00 C ATOM 1831 CG GLN A 119 14.921 -9.714 -5.768 1.00 0.00 C ATOM 1832 CD GLN A 119 15.031 -11.069 -5.098 1.00 0.00 C ATOM 1833 OE1 GLN A 119 15.597 -11.193 -4.012 1.00 0.00 O ATOM 1834 NE2 GLN A 119 14.487 -12.094 -5.744 1.00 0.00 N ATOM 0 H GLN A 119 12.137 -10.167 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 119 14.843 -9.195 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.912 -9.024 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 119 14.127 -7.773 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.649 -9.852 -6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 119 15.895 -9.225 -5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.028 -11.945 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 119 14.529 -13.030 -5.342 1.00 0.00 H new ATOM 1843 N SER A 120 13.961 -7.331 -1.793 1.00 0.00 N ATOM 1844 CA SER A 120 13.599 -6.114 -1.076 1.00 0.00 C ATOM 1845 C SER A 120 13.579 -4.915 -2.019 1.00 0.00 C ATOM 1846 O SER A 120 12.713 -4.045 -1.917 1.00 0.00 O ATOM 1847 CB SER A 120 14.581 -5.860 0.069 1.00 0.00 C ATOM 1848 OG SER A 120 15.856 -6.408 -0.221 1.00 0.00 O ATOM 0 H SER A 120 14.690 -7.884 -1.343 1.00 0.00 H new ATOM 0 HA SER A 120 12.599 -6.248 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.673 -4.788 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.194 -6.299 0.988 1.00 0.00 H new ATOM 0 HG SER A 120 16.466 -6.231 0.525 1.00 0.00 H new ATOM 1854 N SER A 121 14.539 -4.875 -2.937 1.00 0.00 N ATOM 1855 CA SER A 121 14.635 -3.781 -3.897 1.00 0.00 C ATOM 1856 C SER A 121 13.300 -3.556 -4.600 1.00 0.00 C ATOM 1857 O SER A 121 12.964 -2.433 -4.977 1.00 0.00 O ATOM 1858 CB SER A 121 15.725 -4.074 -4.929 1.00 0.00 C ATOM 1859 OG SER A 121 16.976 -3.553 -4.513 1.00 0.00 O ATOM 0 H SER A 121 15.262 -5.588 -3.037 1.00 0.00 H new ATOM 0 HA SER A 121 14.896 -2.874 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.808 -5.150 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.448 -3.639 -5.889 1.00 0.00 H new ATOM 0 HG SER A 121 17.656 -3.755 -5.189 1.00 0.00 H new ATOM 1865 N LEU A 122 12.541 -4.633 -4.773 1.00 0.00 N ATOM 1866 CA LEU A 122 11.242 -4.556 -5.431 1.00 0.00 C ATOM 1867 C LEU A 122 10.138 -4.251 -4.422 1.00 0.00 C ATOM 1868 O LEU A 122 9.285 -3.396 -4.659 1.00 0.00 O ATOM 1869 CB LEU A 122 10.937 -5.867 -6.157 1.00 0.00 C ATOM 1870 CG LEU A 122 11.741 -6.132 -7.430 1.00 0.00 C ATOM 1871 CD1 LEU A 122 11.545 -7.567 -7.896 1.00 0.00 C ATOM 1872 CD2 LEU A 122 11.342 -5.155 -8.526 1.00 0.00 C ATOM 0 H LEU A 122 12.803 -5.570 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 122 11.278 -3.745 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.109 -6.691 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.877 -5.880 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 122 12.798 -5.985 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.125 -7.737 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.881 -8.252 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.489 -7.742 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.924 -5.359 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.281 -5.270 -8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.534 -4.135 -8.192 1.00 0.00 H new ATOM 1884 N VAL A 123 10.163 -4.955 -3.295 1.00 0.00 N ATOM 1885 CA VAL A 123 9.167 -4.758 -2.249 1.00 0.00 C ATOM 1886 C VAL A 123 9.064 -3.288 -1.858 1.00 0.00 C ATOM 1887 O VAL A 123 7.971 -2.723 -1.811 1.00 0.00 O ATOM 1888 CB VAL A 123 9.498 -5.589 -0.995 1.00 0.00 C ATOM 1889 CG1 VAL A 123 8.495 -5.306 0.113 1.00 0.00 C ATOM 1890 CG2 VAL A 123 9.528 -7.072 -1.332 1.00 0.00 C ATOM 0 H VAL A 123 10.862 -5.667 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 123 8.212 -5.091 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 123 10.487 -5.300 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.745 -5.902 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.528 -4.248 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.493 -5.565 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.763 -7.644 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.554 -7.378 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.289 -7.257 -2.090 1.00 0.00 H new ATOM 1900 N GLU A 124 10.210 -2.673 -1.580 1.00 0.00 N ATOM 1901 CA GLU A 124 10.248 -1.268 -1.193 1.00 0.00 C ATOM 1902 C GLU A 124 9.866 -0.370 -2.367 1.00 0.00 C ATOM 1903 O GLU A 124 9.568 0.810 -2.187 1.00 0.00 O ATOM 1904 CB GLU A 124 11.641 -0.894 -0.683 1.00 0.00 C ATOM 1905 CG GLU A 124 12.700 -0.864 -1.772 1.00 0.00 C ATOM 1906 CD GLU A 124 14.070 -0.488 -1.242 1.00 0.00 C ATOM 1907 OE1 GLU A 124 14.263 0.691 -0.877 1.00 0.00 O ATOM 1908 OE2 GLU A 124 14.950 -1.373 -1.193 1.00 0.00 O ATOM 0 H GLU A 124 11.123 -3.126 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 124 9.524 -1.118 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.594 0.085 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.941 -1.607 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.755 -1.843 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.404 -0.152 -2.542 1.00 0.00 H new ATOM 1915 N MET A 125 9.878 -0.939 -3.568 1.00 0.00 N ATOM 1916 CA MET A 125 9.533 -0.191 -4.771 1.00 0.00 C ATOM 1917 C MET A 125 8.021 -0.143 -4.966 1.00 0.00 C ATOM 1918 O MET A 125 7.428 0.934 -5.034 1.00 0.00 O ATOM 1919 CB MET A 125 10.198 -0.820 -5.997 1.00 0.00 C ATOM 1920 CG MET A 125 9.947 -0.052 -7.285 1.00 0.00 C ATOM 1921 SD MET A 125 10.406 -0.992 -8.754 1.00 0.00 S ATOM 1922 CE MET A 125 8.860 -1.817 -9.123 1.00 0.00 C ATOM 0 H MET A 125 10.123 -1.915 -3.734 1.00 0.00 H new ATOM 0 HA MET A 125 9.899 0.829 -4.652 1.00 0.00 H new ATOM 0 HB2 MET A 125 11.272 -0.884 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.833 -1.840 -6.115 1.00 0.00 H new ATOM 0 HG2 MET A 125 8.892 0.215 -7.344 1.00 0.00 H new ATOM 0 HG3 MET A 125 10.511 0.880 -7.264 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.982 -2.439 -10.010 1.00 0.00 H new ATOM 0 HE2 MET A 125 8.570 -2.442 -8.278 1.00 0.00 H new ATOM 0 HE3 MET A 125 8.085 -1.073 -9.306 1.00 0.00 H new ATOM 1932 N ILE A 126 7.403 -1.316 -5.056 1.00 0.00 N ATOM 1933 CA ILE A 126 5.960 -1.407 -5.243 1.00 0.00 C ATOM 1934 C ILE A 126 5.218 -0.568 -4.208 1.00 0.00 C ATOM 1935 O ILE A 126 4.112 -0.089 -4.459 1.00 0.00 O ATOM 1936 CB ILE A 126 5.472 -2.865 -5.152 1.00 0.00 C ATOM 1937 CG1 ILE A 126 4.007 -2.962 -5.585 1.00 0.00 C ATOM 1938 CG2 ILE A 126 5.648 -3.395 -3.737 1.00 0.00 C ATOM 1939 CD1 ILE A 126 3.633 -4.315 -6.150 1.00 0.00 C ATOM 0 H ILE A 126 7.879 -2.217 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 126 5.745 -1.022 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 126 6.072 -3.477 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.368 -2.745 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.806 -2.196 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.299 -4.426 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.702 -3.356 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.070 -2.783 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.581 -4.312 -6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.247 -4.526 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.802 -5.084 -5.396 1.00 0.00 H new ATOM 1951 N PHE A 127 5.835 -0.393 -3.044 1.00 0.00 N ATOM 1952 CA PHE A 127 5.233 0.390 -1.971 1.00 0.00 C ATOM 1953 C PHE A 127 5.573 1.870 -2.120 1.00 0.00 C ATOM 1954 O PHE A 127 4.869 2.735 -1.600 1.00 0.00 O ATOM 1955 CB PHE A 127 5.712 -0.120 -0.610 1.00 0.00 C ATOM 1956 CG PHE A 127 5.192 -1.487 -0.265 1.00 0.00 C ATOM 1957 CD1 PHE A 127 3.838 -1.770 -0.354 1.00 0.00 C ATOM 1958 CD2 PHE A 127 6.056 -2.488 0.147 1.00 0.00 C ATOM 1959 CE1 PHE A 127 3.357 -3.026 -0.036 1.00 0.00 C ATOM 1960 CE2 PHE A 127 5.581 -3.746 0.465 1.00 0.00 C ATOM 1961 CZ PHE A 127 4.229 -4.016 0.372 1.00 0.00 C ATOM 0 H PHE A 127 6.751 -0.782 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 127 4.151 0.276 -2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.802 -0.142 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.402 0.584 0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.151 -1.001 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.114 -2.283 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.299 -3.233 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.266 -4.517 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.855 -4.999 0.618 1.00 0.00 H new ATOM 1971 N SER A 128 6.659 2.152 -2.834 1.00 0.00 N ATOM 1972 CA SER A 128 7.096 3.527 -3.048 1.00 0.00 C ATOM 1973 C SER A 128 6.328 4.167 -4.201 1.00 0.00 C ATOM 1974 O SER A 128 5.508 5.061 -3.993 1.00 0.00 O ATOM 1975 CB SER A 128 8.598 3.568 -3.336 1.00 0.00 C ATOM 1976 OG SER A 128 8.912 2.834 -4.507 1.00 0.00 O ATOM 0 H SER A 128 7.251 1.447 -3.273 1.00 0.00 H new ATOM 0 HA SER A 128 6.892 4.093 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 128 8.921 4.602 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.146 3.158 -2.488 1.00 0.00 H new ATOM 0 HG SER A 128 8.114 2.357 -4.818 1.00 0.00 H new