USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 25 GLN : amide:sc= 0.492 K(o=2.3,f=0.048) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.816 K(o=2.3,f=-0.17) USER MOD Set 1.3: A 43 CYS SG : rot 77:sc= 0.971 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0.748) USER MOD Set 2.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.08 (180deg=1.05) USER MOD Single : A 11 SER OG : rot -86:sc= 1.22 USER MOD Single : A 13 ASN : amide:sc= 0.105 K(o=0.1,f=-0.66) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -53:sc= 1.19 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0582 (180deg=-0.397) USER MOD Single : A 21 SER OG : rot -29:sc= 0.15 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0147 (180deg=-0.167) USER MOD Single : A 31 SER OG : rot 69:sc= 1.28 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 4:sc= 1.15 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.0813 (180deg=-0.432) USER MOD Single : A 51 MET CE :methyl 141:sc= -0.0767 (180deg=-0.583) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0121 (180deg=-0.188) USER MOD Single : A 55 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.39) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 9.395 8.885 5.616 1.00 0.00 N ATOM 71 CA LYS A 5 8.239 8.401 6.358 1.00 0.00 C ATOM 72 C LYS A 5 7.236 7.674 5.461 1.00 0.00 C ATOM 73 O LYS A 5 6.821 6.558 5.774 1.00 0.00 O ATOM 74 CB LYS A 5 7.563 9.551 7.122 1.00 0.00 C ATOM 75 CG LYS A 5 7.144 10.735 6.259 1.00 0.00 C ATOM 76 CD LYS A 5 6.615 11.876 7.114 1.00 0.00 C ATOM 77 CE LYS A 5 6.145 13.048 6.264 1.00 0.00 C ATOM 78 NZ LYS A 5 5.683 14.190 7.100 1.00 0.00 N ATOM 0 HA LYS A 5 8.603 7.671 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.682 9.161 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.246 9.906 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.995 11.081 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.376 10.420 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.789 11.518 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.396 12.212 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.959 13.377 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.333 12.722 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.371 14.968 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.890 13.883 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.465 14.518 7.702 1.00 0.00 H new ATOM 92 N GLN A 6 6.857 8.283 4.340 1.00 0.00 N ATOM 93 CA GLN A 6 5.838 7.699 3.485 1.00 0.00 C ATOM 94 C GLN A 6 6.394 6.501 2.723 1.00 0.00 C ATOM 95 O GLN A 6 5.667 5.555 2.424 1.00 0.00 O ATOM 96 CB GLN A 6 5.251 8.745 2.529 1.00 0.00 C ATOM 97 CG GLN A 6 6.221 9.277 1.484 1.00 0.00 C ATOM 98 CD GLN A 6 5.590 10.335 0.600 1.00 0.00 C ATOM 99 OE1 GLN A 6 5.005 10.035 -0.442 1.00 0.00 O ATOM 100 NE2 GLN A 6 5.710 11.585 1.009 1.00 0.00 N ATOM 0 H GLN A 6 7.237 9.170 4.009 1.00 0.00 H new ATOM 0 HA GLN A 6 5.026 7.345 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.394 8.307 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.878 9.584 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.095 9.697 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.573 8.452 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.202 11.792 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.311 12.343 0.456 1.00 0.00 H new ATOM 109 N LYS A 7 7.689 6.541 2.425 1.00 0.00 N ATOM 110 CA LYS A 7 8.364 5.425 1.780 1.00 0.00 C ATOM 111 C LYS A 7 8.315 4.189 2.673 1.00 0.00 C ATOM 112 O LYS A 7 8.057 3.079 2.203 1.00 0.00 O ATOM 113 CB LYS A 7 9.817 5.790 1.473 1.00 0.00 C ATOM 114 CG LYS A 7 10.582 4.704 0.732 1.00 0.00 C ATOM 115 CD LYS A 7 12.044 5.077 0.534 1.00 0.00 C ATOM 116 CE LYS A 7 12.205 6.282 -0.379 1.00 0.00 C ATOM 117 NZ LYS A 7 13.636 6.622 -0.603 1.00 0.00 N ATOM 0 H LYS A 7 8.293 7.339 2.622 1.00 0.00 H new ATOM 0 HA LYS A 7 7.851 5.204 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.834 6.703 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.332 6.009 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.518 3.769 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.117 4.529 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.498 5.292 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.581 4.228 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.726 6.078 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.692 7.139 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.702 7.507 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.112 6.742 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.096 5.855 -1.134 1.00 0.00 H new ATOM 131 N ALA A 8 8.553 4.390 3.964 1.00 0.00 N ATOM 132 CA ALA A 8 8.528 3.297 4.929 1.00 0.00 C ATOM 133 C ALA A 8 7.126 2.720 5.059 1.00 0.00 C ATOM 134 O ALA A 8 6.955 1.504 5.135 1.00 0.00 O ATOM 135 CB ALA A 8 9.042 3.768 6.281 1.00 0.00 C ATOM 0 H ALA A 8 8.766 5.302 4.368 1.00 0.00 H new ATOM 0 HA ALA A 8 9.186 2.507 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.016 2.939 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.067 4.124 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.412 4.578 6.648 1.00 0.00 H new ATOM 141 N ILE A 9 6.128 3.592 5.072 1.00 0.00 N ATOM 142 CA ILE A 9 4.742 3.146 5.132 1.00 0.00 C ATOM 143 C ILE A 9 4.370 2.392 3.858 1.00 0.00 C ATOM 144 O ILE A 9 3.884 1.269 3.918 1.00 0.00 O ATOM 145 CB ILE A 9 3.768 4.328 5.331 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.111 5.099 6.611 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.329 3.829 5.385 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.252 6.328 6.832 1.00 0.00 C ATOM 0 H ILE A 9 6.249 4.604 5.042 1.00 0.00 H new ATOM 0 HA ILE A 9 4.654 2.482 5.992 1.00 0.00 H new ATOM 0 HB ILE A 9 3.871 5.004 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.002 4.432 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.158 5.400 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.656 4.675 5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.085 3.322 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.216 3.133 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.553 6.821 7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.379 7.016 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.205 6.032 6.903 1.00 0.00 H new ATOM 160 N PHE A 10 4.642 3.006 2.712 1.00 0.00 N ATOM 161 CA PHE A 10 4.307 2.420 1.418 1.00 0.00 C ATOM 162 C PHE A 10 4.932 1.036 1.254 1.00 0.00 C ATOM 163 O PHE A 10 4.249 0.077 0.890 1.00 0.00 O ATOM 164 CB PHE A 10 4.772 3.339 0.285 1.00 0.00 C ATOM 165 CG PHE A 10 4.525 2.777 -1.089 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.252 2.781 -1.636 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.566 2.242 -1.833 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.022 2.264 -2.896 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.340 1.724 -3.095 1.00 0.00 C ATOM 170 CZ PHE A 10 4.067 1.736 -3.625 1.00 0.00 C ATOM 0 H PHE A 10 5.097 3.917 2.653 1.00 0.00 H new ATOM 0 HA PHE A 10 3.223 2.310 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.261 4.297 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.838 3.535 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.430 3.193 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.565 2.230 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.025 2.273 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.159 1.311 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.888 1.332 -4.611 1.00 0.00 H new ATOM 180 N SER A 11 6.227 0.938 1.526 1.00 0.00 N ATOM 181 CA SER A 11 6.945 -0.318 1.363 1.00 0.00 C ATOM 182 C SER A 11 6.367 -1.402 2.266 1.00 0.00 C ATOM 183 O SER A 11 6.127 -2.520 1.822 1.00 0.00 O ATOM 184 CB SER A 11 8.436 -0.122 1.647 1.00 0.00 C ATOM 185 OG SER A 11 8.642 0.529 2.891 1.00 0.00 O ATOM 0 H SER A 11 6.800 1.713 1.860 1.00 0.00 H new ATOM 0 HA SER A 11 6.827 -0.643 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.938 -1.090 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.887 0.466 0.847 1.00 0.00 H new ATOM 0 HG SER A 11 8.605 1.500 2.762 1.00 0.00 H new ATOM 191 N GLU A 12 6.126 -1.058 3.526 1.00 0.00 N ATOM 192 CA GLU A 12 5.594 -1.993 4.491 1.00 0.00 C ATOM 193 C GLU A 12 4.140 -2.362 4.187 1.00 0.00 C ATOM 194 O GLU A 12 3.762 -3.533 4.276 1.00 0.00 O ATOM 195 CB GLU A 12 5.728 -1.384 5.877 1.00 0.00 C ATOM 196 CG GLU A 12 6.928 -1.907 6.644 1.00 0.00 C ATOM 197 CD GLU A 12 7.145 -1.189 7.955 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.445 -1.512 8.940 1.00 0.00 O ATOM 199 OE2 GLU A 12 8.024 -0.302 8.011 1.00 0.00 O ATOM 0 H GLU A 12 6.296 -0.124 3.899 1.00 0.00 H new ATOM 0 HA GLU A 12 6.162 -2.922 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.807 -0.301 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.822 -1.590 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.794 -2.972 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.821 -1.804 6.027 1.00 0.00 H new ATOM 206 N ASN A 13 3.333 -1.370 3.821 1.00 0.00 N ATOM 207 CA ASN A 13 1.937 -1.609 3.458 1.00 0.00 C ATOM 208 C ASN A 13 1.844 -2.562 2.278 1.00 0.00 C ATOM 209 O ASN A 13 1.152 -3.576 2.343 1.00 0.00 O ATOM 210 CB ASN A 13 1.216 -0.297 3.124 1.00 0.00 C ATOM 211 CG ASN A 13 0.770 0.469 4.355 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.372 0.369 5.424 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.300 1.238 4.211 1.00 0.00 N ATOM 0 H ASN A 13 3.620 -0.393 3.768 1.00 0.00 H new ATOM 0 HA ASN A 13 1.447 -2.062 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.879 0.334 2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.346 -0.515 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.653 1.774 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.770 1.293 3.308 1.00 0.00 H new ATOM 220 N LEU A 14 2.562 -2.248 1.207 1.00 0.00 N ATOM 221 CA LEU A 14 2.558 -3.086 0.017 1.00 0.00 C ATOM 222 C LEU A 14 3.126 -4.466 0.334 1.00 0.00 C ATOM 223 O LEU A 14 2.594 -5.484 -0.108 1.00 0.00 O ATOM 224 CB LEU A 14 3.375 -2.425 -1.097 1.00 0.00 C ATOM 225 CG LEU A 14 3.410 -3.188 -2.424 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.017 -3.281 -3.030 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.373 -2.519 -3.397 1.00 0.00 C ATOM 0 H LEU A 14 3.154 -1.420 1.139 1.00 0.00 H new ATOM 0 HA LEU A 14 1.528 -3.203 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.970 -1.430 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.398 -2.294 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 14 3.764 -4.200 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.066 -3.827 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.355 -3.805 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.632 -2.278 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.386 -3.074 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.048 -1.496 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.375 -2.508 -2.968 1.00 0.00 H new ATOM 239 N ASN A 15 4.191 -4.485 1.129 1.00 0.00 N ATOM 240 CA ASN A 15 4.882 -5.721 1.488 1.00 0.00 C ATOM 241 C ASN A 15 3.930 -6.726 2.130 1.00 0.00 C ATOM 242 O ASN A 15 3.944 -7.911 1.786 1.00 0.00 O ATOM 243 CB ASN A 15 6.029 -5.408 2.454 1.00 0.00 C ATOM 244 CG ASN A 15 7.007 -6.554 2.606 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.839 -7.421 3.460 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.050 -6.550 1.787 1.00 0.00 N ATOM 0 H ASN A 15 4.600 -3.647 1.542 1.00 0.00 H new ATOM 0 HA ASN A 15 5.277 -6.165 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.564 -4.526 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.615 -5.159 3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.752 -7.287 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.150 -5.810 1.092 1.00 0.00 H new ATOM 253 N SER A 16 3.097 -6.249 3.052 1.00 0.00 N ATOM 254 CA SER A 16 2.177 -7.126 3.771 1.00 0.00 C ATOM 255 C SER A 16 1.211 -7.820 2.810 1.00 0.00 C ATOM 256 O SER A 16 1.038 -9.038 2.866 1.00 0.00 O ATOM 257 CB SER A 16 1.405 -6.340 4.839 1.00 0.00 C ATOM 258 OG SER A 16 0.601 -5.324 4.264 1.00 0.00 O ATOM 0 H SER A 16 3.040 -5.266 3.318 1.00 0.00 H new ATOM 0 HA SER A 16 2.767 -7.896 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.775 -7.023 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.109 -5.893 5.542 1.00 0.00 H new ATOM 0 HG SER A 16 1.152 -4.763 3.679 1.00 0.00 H new ATOM 264 N TYR A 17 0.611 -7.048 1.905 1.00 0.00 N ATOM 265 CA TYR A 17 -0.325 -7.599 0.929 1.00 0.00 C ATOM 266 C TYR A 17 0.354 -8.642 0.053 1.00 0.00 C ATOM 267 O TYR A 17 -0.244 -9.663 -0.285 1.00 0.00 O ATOM 268 CB TYR A 17 -0.909 -6.491 0.049 1.00 0.00 C ATOM 269 CG TYR A 17 -1.883 -5.583 0.765 1.00 0.00 C ATOM 270 CD1 TYR A 17 -3.158 -6.026 1.089 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.535 -4.284 1.107 1.00 0.00 C ATOM 272 CE1 TYR A 17 -4.056 -5.201 1.737 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.428 -3.451 1.754 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.690 -3.915 2.066 1.00 0.00 C ATOM 275 OH TYR A 17 -4.590 -3.088 2.702 1.00 0.00 O ATOM 0 H TYR A 17 0.757 -6.041 1.828 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.134 -8.076 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.092 -5.889 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.413 -6.946 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.452 -7.032 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.549 -3.917 0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.043 -5.563 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.140 -2.443 2.014 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.174 -2.215 2.864 1.00 0.00 H new ATOM 285 N ILE A 18 1.603 -8.385 -0.307 1.00 0.00 N ATOM 286 CA ILE A 18 2.373 -9.314 -1.124 1.00 0.00 C ATOM 287 C ILE A 18 2.588 -10.633 -0.382 1.00 0.00 C ATOM 288 O ILE A 18 2.333 -11.714 -0.922 1.00 0.00 O ATOM 289 CB ILE A 18 3.740 -8.704 -1.510 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.535 -7.414 -2.312 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.579 -9.695 -2.301 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.817 -6.663 -2.583 1.00 0.00 C ATOM 0 H ILE A 18 2.107 -7.538 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 18 1.805 -9.507 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 18 4.279 -8.467 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.058 -7.658 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.850 -6.763 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.535 -9.238 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.753 -10.586 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.051 -9.972 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.597 -5.761 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.285 -6.388 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.496 -7.297 -3.153 1.00 0.00 H new ATOM 304 N ALA A 19 3.026 -10.536 0.869 1.00 0.00 N ATOM 305 CA ALA A 19 3.287 -11.716 1.684 1.00 0.00 C ATOM 306 C ALA A 19 2.002 -12.480 1.988 1.00 0.00 C ATOM 307 O ALA A 19 2.010 -13.707 2.102 1.00 0.00 O ATOM 308 CB ALA A 19 3.985 -11.321 2.976 1.00 0.00 C ATOM 0 H ALA A 19 3.208 -9.650 1.341 1.00 0.00 H new ATOM 0 HA ALA A 19 3.941 -12.377 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.174 -12.212 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.931 -10.833 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.351 -10.635 3.537 1.00 0.00 H new ATOM 314 N LYS A 20 0.902 -11.749 2.113 1.00 0.00 N ATOM 315 CA LYS A 20 -0.395 -12.342 2.396 1.00 0.00 C ATOM 316 C LYS A 20 -0.991 -13.008 1.160 1.00 0.00 C ATOM 317 O LYS A 20 -1.743 -13.977 1.265 1.00 0.00 O ATOM 318 CB LYS A 20 -1.343 -11.270 2.921 1.00 0.00 C ATOM 319 CG LYS A 20 -1.022 -10.825 4.335 1.00 0.00 C ATOM 320 CD LYS A 20 -1.970 -9.739 4.808 1.00 0.00 C ATOM 321 CE LYS A 20 -1.668 -9.327 6.239 1.00 0.00 C ATOM 322 NZ LYS A 20 -1.739 -10.479 7.177 1.00 0.00 N ATOM 0 H LYS A 20 0.885 -10.733 2.021 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.257 -13.114 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.305 -10.405 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.364 -11.651 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.082 -11.680 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.003 -10.457 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.889 -8.872 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.998 -10.095 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.674 -8.882 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.376 -8.560 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.747 -10.129 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.608 -11.021 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.912 -11.093 7.035 1.00 0.00 H new ATOM 336 N SER A 21 -0.656 -12.481 -0.010 1.00 0.00 N ATOM 337 CA SER A 21 -1.143 -13.037 -1.262 1.00 0.00 C ATOM 338 C SER A 21 -0.354 -14.294 -1.629 1.00 0.00 C ATOM 339 O SER A 21 -0.739 -15.035 -2.536 1.00 0.00 O ATOM 340 CB SER A 21 -1.037 -11.991 -2.379 1.00 0.00 C ATOM 341 OG SER A 21 -1.625 -12.456 -3.583 1.00 0.00 O ATOM 0 H SER A 21 -0.048 -11.669 -0.117 1.00 0.00 H new ATOM 0 HA SER A 21 -2.191 -13.313 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.528 -11.070 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.011 -11.749 -2.554 1.00 0.00 H new ATOM 0 HG SER A 21 -1.559 -13.433 -3.623 1.00 0.00 H new ATOM 347 N GLU A 22 0.756 -14.511 -0.914 1.00 0.00 N ATOM 348 CA GLU A 22 1.620 -15.679 -1.110 1.00 0.00 C ATOM 349 C GLU A 22 2.279 -15.663 -2.486 1.00 0.00 C ATOM 350 O GLU A 22 2.837 -16.668 -2.929 1.00 0.00 O ATOM 351 CB GLU A 22 0.840 -16.982 -0.918 1.00 0.00 C ATOM 352 CG GLU A 22 0.341 -17.194 0.499 1.00 0.00 C ATOM 353 CD GLU A 22 -0.388 -18.509 0.656 1.00 0.00 C ATOM 354 OE1 GLU A 22 0.273 -19.530 0.942 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.622 -18.531 0.473 1.00 0.00 O ATOM 0 H GLU A 22 1.080 -13.880 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 22 2.404 -15.627 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.012 -16.988 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.477 -17.821 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.185 -17.164 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.325 -16.376 0.774 1.00 0.00 H new ATOM 362 N LYS A 23 2.227 -14.521 -3.150 1.00 0.00 N ATOM 363 CA LYS A 23 2.848 -14.372 -4.441 1.00 0.00 C ATOM 364 C LYS A 23 4.296 -13.945 -4.278 1.00 0.00 C ATOM 365 O LYS A 23 4.654 -13.284 -3.301 1.00 0.00 O ATOM 366 CB LYS A 23 2.095 -13.336 -5.267 1.00 0.00 C ATOM 367 CG LYS A 23 0.741 -13.803 -5.778 1.00 0.00 C ATOM 368 CD LYS A 23 0.855 -15.094 -6.575 1.00 0.00 C ATOM 369 CE LYS A 23 -0.413 -15.373 -7.370 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.598 -14.394 -8.473 1.00 0.00 N ATOM 0 H LYS A 23 1.757 -13.683 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 23 2.816 -15.331 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.952 -12.441 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.712 -13.050 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.066 -13.954 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.301 -13.027 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.705 -15.029 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.051 -15.925 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.370 -16.381 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.275 -15.338 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.371 -14.711 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.833 -13.463 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.281 -14.323 -9.025 1.00 0.00 H new ATOM 384 N THR A 24 5.131 -14.333 -5.220 1.00 0.00 N ATOM 385 CA THR A 24 6.513 -13.913 -5.207 1.00 0.00 C ATOM 386 C THR A 24 6.631 -12.516 -5.793 1.00 0.00 C ATOM 387 O THR A 24 5.730 -12.049 -6.500 1.00 0.00 O ATOM 388 CB THR A 24 7.404 -14.881 -6.007 1.00 0.00 C ATOM 389 OG1 THR A 24 6.901 -15.021 -7.340 1.00 0.00 O ATOM 390 CG2 THR A 24 7.464 -16.244 -5.340 1.00 0.00 C ATOM 0 H THR A 24 4.876 -14.937 -6.001 1.00 0.00 H new ATOM 0 HA THR A 24 6.853 -13.913 -4.171 1.00 0.00 H new ATOM 0 HB THR A 24 8.411 -14.466 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.474 -15.637 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.100 -16.908 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.875 -16.140 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.460 -16.664 -5.279 1.00 0.00 H new ATOM 398 N GLN A 25 7.731 -11.847 -5.495 1.00 0.00 N ATOM 399 CA GLN A 25 7.999 -10.542 -6.071 1.00 0.00 C ATOM 400 C GLN A 25 8.061 -10.662 -7.585 1.00 0.00 C ATOM 401 O GLN A 25 7.602 -9.788 -8.315 1.00 0.00 O ATOM 402 CB GLN A 25 9.310 -9.989 -5.522 1.00 0.00 C ATOM 403 CG GLN A 25 9.295 -9.788 -4.014 1.00 0.00 C ATOM 404 CD GLN A 25 10.585 -9.196 -3.492 1.00 0.00 C ATOM 405 OE1 GLN A 25 11.524 -9.914 -3.155 1.00 0.00 O ATOM 406 NE2 GLN A 25 10.637 -7.880 -3.408 1.00 0.00 N ATOM 0 H GLN A 25 8.452 -12.186 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 25 7.198 -9.853 -5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.121 -10.670 -5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.525 -9.037 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.465 -9.134 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.116 -10.746 -3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.836 -7.318 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.478 -7.424 -3.053 1.00 0.00 H new ATOM 415 N LEU A 26 8.615 -11.778 -8.033 1.00 0.00 N ATOM 416 CA LEU A 26 8.712 -12.097 -9.447 1.00 0.00 C ATOM 417 C LEU A 26 7.323 -12.261 -10.066 1.00 0.00 C ATOM 418 O LEU A 26 7.054 -11.732 -11.141 1.00 0.00 O ATOM 419 CB LEU A 26 9.522 -13.384 -9.612 1.00 0.00 C ATOM 420 CG LEU A 26 10.556 -13.365 -10.733 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.468 -14.573 -10.626 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.879 -13.331 -12.095 1.00 0.00 C ATOM 0 H LEU A 26 9.012 -12.491 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 26 9.212 -11.278 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.033 -13.595 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.831 -14.208 -9.791 1.00 0.00 H new ATOM 0 HG LEU A 26 11.156 -12.461 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.201 -14.548 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.983 -14.556 -9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.875 -15.484 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.637 -13.318 -12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.252 -14.215 -12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.262 -12.436 -12.172 1.00 0.00 H new ATOM 434 N GLU A 27 6.447 -12.983 -9.366 1.00 0.00 N ATOM 435 CA GLU A 27 5.088 -13.236 -9.841 1.00 0.00 C ATOM 436 C GLU A 27 4.356 -11.934 -10.130 1.00 0.00 C ATOM 437 O GLU A 27 3.833 -11.730 -11.230 1.00 0.00 O ATOM 438 CB GLU A 27 4.316 -14.034 -8.786 1.00 0.00 C ATOM 439 CG GLU A 27 3.782 -15.366 -9.282 1.00 0.00 C ATOM 440 CD GLU A 27 2.700 -15.223 -10.333 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.554 -14.876 -9.975 1.00 0.00 O ATOM 442 OE2 GLU A 27 2.988 -15.475 -11.521 1.00 0.00 O ATOM 0 H GLU A 27 6.658 -13.405 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 27 5.150 -13.807 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.969 -14.212 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.481 -13.431 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.605 -15.949 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.386 -15.928 -8.437 1.00 0.00 H new ATOM 449 N ILE A 28 4.336 -11.046 -9.146 1.00 0.00 N ATOM 450 CA ILE A 28 3.623 -9.787 -9.280 1.00 0.00 C ATOM 451 C ILE A 28 4.304 -8.883 -10.301 1.00 0.00 C ATOM 452 O ILE A 28 3.637 -8.272 -11.134 1.00 0.00 O ATOM 453 CB ILE A 28 3.503 -9.052 -7.930 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.879 -9.978 -6.882 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.672 -7.784 -8.086 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.764 -9.355 -5.506 1.00 0.00 C ATOM 0 H ILE A 28 4.804 -11.175 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 28 2.618 -10.025 -9.628 1.00 0.00 H new ATOM 0 HB ILE A 28 4.501 -8.768 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.886 -10.276 -7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.478 -10.886 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.597 -7.277 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.150 -7.122 -8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.674 -8.044 -8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.313 -10.071 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.756 -9.082 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.140 -8.463 -5.561 1.00 0.00 H new ATOM 468 N ALA A 29 5.632 -8.822 -10.254 1.00 0.00 N ATOM 469 CA ALA A 29 6.393 -7.995 -11.183 1.00 0.00 C ATOM 470 C ALA A 29 6.142 -8.422 -12.626 1.00 0.00 C ATOM 471 O ALA A 29 5.896 -7.583 -13.492 1.00 0.00 O ATOM 472 CB ALA A 29 7.875 -8.060 -10.867 1.00 0.00 C ATOM 0 H ALA A 29 6.202 -9.336 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 29 6.056 -6.965 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.425 -7.436 -11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.047 -7.700 -9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.220 -9.091 -10.949 1.00 0.00 H new ATOM 478 N LYS A 30 6.180 -9.730 -12.866 1.00 0.00 N ATOM 479 CA LYS A 30 5.955 -10.279 -14.200 1.00 0.00 C ATOM 480 C LYS A 30 4.534 -9.955 -14.665 1.00 0.00 C ATOM 481 O LYS A 30 4.304 -9.638 -15.832 1.00 0.00 O ATOM 482 CB LYS A 30 6.194 -11.798 -14.182 1.00 0.00 C ATOM 483 CG LYS A 30 6.485 -12.415 -15.547 1.00 0.00 C ATOM 484 CD LYS A 30 5.240 -12.531 -16.410 1.00 0.00 C ATOM 485 CE LYS A 30 5.551 -13.153 -17.764 1.00 0.00 C ATOM 486 NZ LYS A 30 6.500 -12.327 -18.561 1.00 0.00 N ATOM 0 H LYS A 30 6.365 -10.432 -12.150 1.00 0.00 H new ATOM 0 HA LYS A 30 6.655 -9.827 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.030 -12.012 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.316 -12.285 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.227 -11.808 -16.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.921 -13.404 -15.409 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.494 -13.136 -15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.804 -11.543 -16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.973 -14.147 -17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.625 -13.280 -18.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.525 -12.675 -19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.187 -11.335 -18.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.451 -12.393 -18.145 1.00 0.00 H new ATOM 500 N SER A 31 3.589 -10.013 -13.732 1.00 0.00 N ATOM 501 CA SER A 31 2.191 -9.726 -14.028 1.00 0.00 C ATOM 502 C SER A 31 1.995 -8.248 -14.381 1.00 0.00 C ATOM 503 O SER A 31 1.087 -7.894 -15.131 1.00 0.00 O ATOM 504 CB SER A 31 1.315 -10.107 -12.831 1.00 0.00 C ATOM 505 OG SER A 31 1.454 -11.486 -12.509 1.00 0.00 O ATOM 0 H SER A 31 3.769 -10.258 -12.758 1.00 0.00 H new ATOM 0 HA SER A 31 1.894 -10.320 -14.892 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.590 -9.500 -11.968 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.271 -9.887 -13.056 1.00 0.00 H new ATOM 0 HG SER A 31 2.349 -11.648 -12.145 1.00 0.00 H new ATOM 511 N ILE A 32 2.853 -7.395 -13.839 1.00 0.00 N ATOM 512 CA ILE A 32 2.785 -5.965 -14.109 1.00 0.00 C ATOM 513 C ILE A 32 3.570 -5.613 -15.370 1.00 0.00 C ATOM 514 O ILE A 32 3.101 -4.851 -16.217 1.00 0.00 O ATOM 515 CB ILE A 32 3.331 -5.143 -12.918 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.514 -5.431 -11.657 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.310 -3.653 -13.236 1.00 0.00 C ATOM 518 CD1 ILE A 32 3.029 -4.721 -10.421 1.00 0.00 C ATOM 0 H ILE A 32 3.606 -7.669 -13.208 1.00 0.00 H new ATOM 0 HA ILE A 32 1.735 -5.713 -14.258 1.00 0.00 H new ATOM 0 HB ILE A 32 4.365 -5.439 -12.741 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.479 -5.135 -11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.512 -6.505 -11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.698 -3.094 -12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.930 -3.459 -14.111 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.286 -3.339 -13.440 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.400 -4.973 -9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.054 -5.035 -10.222 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.005 -3.643 -10.584 1.00 0.00 H new ATOM 530 N GLY A 33 4.766 -6.171 -15.489 1.00 0.00 N ATOM 531 CA GLY A 33 5.609 -5.884 -16.631 1.00 0.00 C ATOM 532 C GLY A 33 6.960 -5.340 -16.219 1.00 0.00 C ATOM 533 O GLY A 33 7.887 -5.279 -17.027 1.00 0.00 O ATOM 0 H GLY A 33 5.169 -6.820 -14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.748 -6.793 -17.216 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.110 -5.162 -17.277 1.00 0.00 H new ATOM 537 N VAL A 34 7.068 -4.943 -14.958 1.00 0.00 N ATOM 538 CA VAL A 34 8.313 -4.408 -14.425 1.00 0.00 C ATOM 539 C VAL A 34 9.254 -5.534 -14.010 1.00 0.00 C ATOM 540 O VAL A 34 8.824 -6.664 -13.786 1.00 0.00 O ATOM 541 CB VAL A 34 8.065 -3.479 -13.215 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.268 -2.252 -13.632 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.351 -4.223 -12.095 1.00 0.00 C ATOM 0 H VAL A 34 6.304 -4.982 -14.283 1.00 0.00 H new ATOM 0 HA VAL A 34 8.774 -3.824 -15.222 1.00 0.00 H new ATOM 0 HB VAL A 34 9.034 -3.149 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.105 -1.612 -12.765 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.821 -1.700 -14.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.306 -2.564 -14.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.188 -3.547 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.391 -4.590 -12.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.962 -5.065 -11.770 1.00 0.00 H new ATOM 553 N SER A 35 10.538 -5.224 -13.921 1.00 0.00 N ATOM 554 CA SER A 35 11.524 -6.206 -13.511 1.00 0.00 C ATOM 555 C SER A 35 11.458 -6.418 -11.999 1.00 0.00 C ATOM 556 O SER A 35 11.209 -5.476 -11.241 1.00 0.00 O ATOM 557 CB SER A 35 12.922 -5.746 -13.934 1.00 0.00 C ATOM 558 OG SER A 35 12.955 -5.430 -15.319 1.00 0.00 O ATOM 0 H SER A 35 10.919 -4.301 -14.127 1.00 0.00 H new ATOM 0 HA SER A 35 11.309 -7.157 -13.999 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.214 -4.873 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.648 -6.530 -13.719 1.00 0.00 H new ATOM 0 HG SER A 35 13.857 -5.137 -15.566 1.00 0.00 H new ATOM 564 N PRO A 36 11.676 -7.666 -11.545 1.00 0.00 N ATOM 565 CA PRO A 36 11.626 -8.022 -10.120 1.00 0.00 C ATOM 566 C PRO A 36 12.572 -7.181 -9.267 1.00 0.00 C ATOM 567 O PRO A 36 12.271 -6.878 -8.112 1.00 0.00 O ATOM 568 CB PRO A 36 12.045 -9.496 -10.101 1.00 0.00 C ATOM 569 CG PRO A 36 11.724 -9.994 -11.464 1.00 0.00 C ATOM 570 CD PRO A 36 11.961 -8.839 -12.391 1.00 0.00 C ATOM 0 HA PRO A 36 10.638 -7.842 -9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.107 -9.604 -9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.502 -10.053 -9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.355 -10.843 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.690 -10.335 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.985 -8.826 -12.766 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.304 -8.878 -13.260 1.00 0.00 H new ATOM 578 N GLN A 37 13.711 -6.807 -9.840 1.00 0.00 N ATOM 579 CA GLN A 37 14.672 -5.949 -9.154 1.00 0.00 C ATOM 580 C GLN A 37 14.027 -4.624 -8.769 1.00 0.00 C ATOM 581 O GLN A 37 14.165 -4.158 -7.637 1.00 0.00 O ATOM 582 CB GLN A 37 15.885 -5.684 -10.046 1.00 0.00 C ATOM 583 CG GLN A 37 17.012 -4.951 -9.332 1.00 0.00 C ATOM 584 CD GLN A 37 18.141 -4.555 -10.266 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.137 -3.463 -10.838 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.122 -5.433 -10.420 1.00 0.00 N ATOM 0 H GLN A 37 13.992 -7.085 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 37 14.998 -6.463 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.262 -6.634 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.570 -5.098 -10.910 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.612 -4.057 -8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.408 -5.586 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.089 -6.326 -9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.910 -5.215 -11.030 1.00 0.00 H new ATOM 595 N THR A 38 13.296 -4.044 -9.712 1.00 0.00 N ATOM 596 CA THR A 38 12.654 -2.756 -9.505 1.00 0.00 C ATOM 597 C THR A 38 11.549 -2.897 -8.464 1.00 0.00 C ATOM 598 O THR A 38 11.357 -2.037 -7.608 1.00 0.00 O ATOM 599 CB THR A 38 12.057 -2.221 -10.823 1.00 0.00 C ATOM 600 OG1 THR A 38 12.995 -2.394 -11.896 1.00 0.00 O ATOM 601 CG2 THR A 38 11.699 -0.746 -10.700 1.00 0.00 C ATOM 0 H THR A 38 13.133 -4.450 -10.633 1.00 0.00 H new ATOM 0 HA THR A 38 13.405 -2.048 -9.153 1.00 0.00 H new ATOM 0 HB THR A 38 11.149 -2.786 -11.035 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.606 -2.053 -12.728 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.280 -0.393 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.965 -0.615 -9.905 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.595 -0.172 -10.464 1.00 0.00 H new ATOM 609 N PHE A 39 10.854 -4.017 -8.535 1.00 0.00 N ATOM 610 CA PHE A 39 9.794 -4.331 -7.598 1.00 0.00 C ATOM 611 C PHE A 39 10.365 -4.470 -6.187 1.00 0.00 C ATOM 612 O PHE A 39 9.800 -3.972 -5.215 1.00 0.00 O ATOM 613 CB PHE A 39 9.118 -5.632 -8.034 1.00 0.00 C ATOM 614 CG PHE A 39 7.819 -5.911 -7.334 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.660 -5.252 -7.708 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.758 -6.835 -6.305 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.463 -5.510 -7.068 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.566 -7.098 -5.661 1.00 0.00 C ATOM 619 CZ PHE A 39 5.416 -6.435 -6.043 1.00 0.00 C ATOM 0 H PHE A 39 11.009 -4.734 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 39 9.058 -3.527 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.939 -5.594 -9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.801 -6.462 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.692 -4.528 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.654 -7.356 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.566 -4.989 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.532 -7.821 -4.860 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.482 -6.639 -5.541 1.00 0.00 H new ATOM 629 N ASN A 40 11.511 -5.131 -6.098 1.00 0.00 N ATOM 630 CA ASN A 40 12.176 -5.374 -4.822 1.00 0.00 C ATOM 631 C ASN A 40 12.729 -4.081 -4.228 1.00 0.00 C ATOM 632 O ASN A 40 12.744 -3.921 -3.012 1.00 0.00 O ATOM 633 CB ASN A 40 13.303 -6.394 -5.012 1.00 0.00 C ATOM 634 CG ASN A 40 13.916 -6.860 -3.705 1.00 0.00 C ATOM 635 OD1 ASN A 40 13.241 -6.942 -2.676 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.201 -7.176 -3.738 1.00 0.00 N ATOM 0 H ASN A 40 12.006 -5.513 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 40 11.440 -5.772 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.915 -7.258 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.082 -5.953 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.668 -7.501 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.724 -7.094 -4.610 1.00 0.00 H new ATOM 643 N THR A 41 13.170 -3.153 -5.074 1.00 0.00 N ATOM 644 CA THR A 41 13.683 -1.878 -4.576 1.00 0.00 C ATOM 645 C THR A 41 12.560 -1.044 -3.959 1.00 0.00 C ATOM 646 O THR A 41 12.806 -0.179 -3.119 1.00 0.00 O ATOM 647 CB THR A 41 14.417 -1.066 -5.669 1.00 0.00 C ATOM 648 OG1 THR A 41 13.607 -0.938 -6.840 1.00 0.00 O ATOM 649 CG2 THR A 41 15.738 -1.724 -6.038 1.00 0.00 C ATOM 0 H THR A 41 13.183 -3.255 -6.089 1.00 0.00 H new ATOM 0 HA THR A 41 14.415 -2.116 -3.804 1.00 0.00 H new ATOM 0 HB THR A 41 14.614 -0.074 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.728 -1.339 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.235 -1.135 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.376 -1.780 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.551 -2.730 -6.415 1.00 0.00 H new ATOM 657 N TRP A 42 11.325 -1.313 -4.366 1.00 0.00 N ATOM 658 CA TRP A 42 10.171 -0.702 -3.723 1.00 0.00 C ATOM 659 C TRP A 42 9.901 -1.416 -2.404 1.00 0.00 C ATOM 660 O TRP A 42 9.683 -0.792 -1.367 1.00 0.00 O ATOM 661 CB TRP A 42 8.927 -0.803 -4.608 1.00 0.00 C ATOM 662 CG TRP A 42 9.090 -0.205 -5.973 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.912 0.824 -6.330 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.391 -0.594 -7.160 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.768 1.097 -7.669 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.836 0.241 -8.201 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.428 -1.567 -7.444 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.351 0.129 -9.502 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.950 -1.676 -8.734 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.409 -0.832 -9.749 1.00 0.00 C ATOM 0 H TRP A 42 11.099 -1.946 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 42 10.389 0.352 -3.552 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.656 -1.853 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.096 -0.309 -4.104 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.578 1.347 -5.659 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.272 1.819 -8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.064 -2.223 -6.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.706 0.778 -10.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.208 -2.427 -8.963 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.012 -0.940 -10.748 1.00 0.00 H new ATOM 681 N CYS A 43 9.937 -2.740 -2.476 1.00 0.00 N ATOM 682 CA CYS A 43 9.723 -3.614 -1.333 1.00 0.00 C ATOM 683 C CYS A 43 10.723 -3.341 -0.216 1.00 0.00 C ATOM 684 O CYS A 43 10.380 -3.394 0.965 1.00 0.00 O ATOM 685 CB CYS A 43 9.837 -5.060 -1.814 1.00 0.00 C ATOM 686 SG CYS A 43 8.456 -5.607 -2.843 1.00 0.00 S ATOM 0 H CYS A 43 10.119 -3.244 -3.344 1.00 0.00 H new ATOM 0 HA CYS A 43 8.733 -3.426 -0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.763 -5.172 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.911 -5.715 -0.946 1.00 0.00 H new ATOM 0 HG CYS A 43 8.591 -5.125 -4.043 1.00 0.00 H new ATOM 692 N LYS A 44 11.953 -3.038 -0.596 1.00 0.00 N ATOM 693 CA LYS A 44 13.008 -2.785 0.362 1.00 0.00 C ATOM 694 C LYS A 44 13.069 -1.316 0.758 1.00 0.00 C ATOM 695 O LYS A 44 14.015 -0.887 1.417 1.00 0.00 O ATOM 696 CB LYS A 44 14.336 -3.245 -0.226 1.00 0.00 C ATOM 697 CG LYS A 44 14.543 -4.745 -0.106 1.00 0.00 C ATOM 698 CD LYS A 44 15.897 -5.188 -0.634 1.00 0.00 C ATOM 699 CE LYS A 44 16.190 -6.627 -0.240 1.00 0.00 C ATOM 700 NZ LYS A 44 16.366 -6.771 1.231 1.00 0.00 N ATOM 0 H LYS A 44 12.244 -2.962 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 44 12.797 -3.348 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.382 -2.959 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.151 -2.728 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.450 -5.039 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.756 -5.262 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.917 -5.093 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.676 -4.534 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.374 -7.269 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.092 -6.967 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.883 -7.650 1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.904 -5.960 1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.434 -6.804 1.691 1.00 0.00 H new ATOM 714 N GLY A 45 12.055 -0.553 0.362 1.00 0.00 N ATOM 715 CA GLY A 45 11.990 0.853 0.726 1.00 0.00 C ATOM 716 C GLY A 45 13.197 1.639 0.257 1.00 0.00 C ATOM 717 O GLY A 45 13.710 2.496 0.978 1.00 0.00 O ATOM 0 H GLY A 45 11.275 -0.883 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.088 1.292 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.905 0.939 1.809 1.00 0.00 H new ATOM 721 N ILE A 46 13.653 1.348 -0.948 1.00 0.00 N ATOM 722 CA ILE A 46 14.794 2.044 -1.518 1.00 0.00 C ATOM 723 C ILE A 46 14.315 3.232 -2.341 1.00 0.00 C ATOM 724 O ILE A 46 14.651 4.384 -2.057 1.00 0.00 O ATOM 725 CB ILE A 46 15.632 1.103 -2.411 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.093 -0.117 -1.605 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.828 1.848 -2.995 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.794 -1.166 -2.438 1.00 0.00 C ATOM 0 H ILE A 46 13.250 0.632 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 46 15.423 2.392 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 46 15.011 0.757 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.765 0.214 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.228 -0.569 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.408 1.171 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.476 2.687 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.456 2.220 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.091 -1.998 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.118 -1.526 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.679 -0.731 -2.902 1.00 0.00 H new ATOM 740 N ALA A 47 13.497 2.949 -3.342 1.00 0.00 N ATOM 741 CA ALA A 47 12.990 3.981 -4.223 1.00 0.00 C ATOM 742 C ALA A 47 11.474 3.941 -4.271 1.00 0.00 C ATOM 743 O ALA A 47 10.863 2.909 -3.999 1.00 0.00 O ATOM 744 CB ALA A 47 13.574 3.817 -5.618 1.00 0.00 C ATOM 0 H ALA A 47 13.171 2.008 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 47 13.294 4.952 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.185 4.599 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.660 3.893 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.296 2.841 -6.016 1.00 0.00 H new ATOM 750 N ILE A 48 10.874 5.072 -4.593 1.00 0.00 N ATOM 751 CA ILE A 48 9.432 5.149 -4.741 1.00 0.00 C ATOM 752 C ILE A 48 9.071 5.118 -6.216 1.00 0.00 C ATOM 753 O ILE A 48 9.648 5.862 -7.015 1.00 0.00 O ATOM 754 CB ILE A 48 8.860 6.429 -4.083 1.00 0.00 C ATOM 755 CG1 ILE A 48 9.078 6.379 -2.571 1.00 0.00 C ATOM 756 CG2 ILE A 48 7.377 6.593 -4.395 1.00 0.00 C ATOM 757 CD1 ILE A 48 8.716 7.661 -1.851 1.00 0.00 C ATOM 0 H ILE A 48 11.364 5.952 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 48 8.991 4.290 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 48 9.388 7.289 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.487 5.563 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.124 6.147 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.003 7.500 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.238 6.665 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.828 5.732 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.900 7.543 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.325 8.479 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.662 7.885 -2.015 1.00 0.00 H new ATOM 769 N PRO A 49 8.146 4.233 -6.600 1.00 0.00 N ATOM 770 CA PRO A 49 7.678 4.136 -7.980 1.00 0.00 C ATOM 771 C PRO A 49 6.825 5.334 -8.364 1.00 0.00 C ATOM 772 O PRO A 49 6.098 5.883 -7.532 1.00 0.00 O ATOM 773 CB PRO A 49 6.838 2.861 -7.979 1.00 0.00 C ATOM 774 CG PRO A 49 6.348 2.741 -6.577 1.00 0.00 C ATOM 775 CD PRO A 49 7.464 3.268 -5.714 1.00 0.00 C ATOM 0 HA PRO A 49 8.498 4.116 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.010 2.930 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.432 1.994 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.434 3.316 -6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.116 1.705 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.084 3.748 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.135 2.472 -5.393 1.00 0.00 H new ATOM 783 N ARG A 50 6.918 5.748 -9.614 1.00 0.00 N ATOM 784 CA ARG A 50 6.117 6.859 -10.084 1.00 0.00 C ATOM 785 C ARG A 50 4.684 6.407 -10.323 1.00 0.00 C ATOM 786 O ARG A 50 4.394 5.207 -10.313 1.00 0.00 O ATOM 787 CB ARG A 50 6.736 7.487 -11.333 1.00 0.00 C ATOM 788 CG ARG A 50 8.098 8.095 -11.054 1.00 0.00 C ATOM 789 CD ARG A 50 8.647 8.859 -12.246 1.00 0.00 C ATOM 790 NE ARG A 50 9.916 9.507 -11.920 1.00 0.00 N ATOM 791 CZ ARG A 50 10.234 10.752 -12.264 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.377 11.497 -12.944 1.00 0.00 N ATOM 793 NH2 ARG A 50 11.403 11.259 -11.901 1.00 0.00 N ATOM 0 H ARG A 50 7.534 5.336 -10.315 1.00 0.00 H new ATOM 0 HA ARG A 50 6.098 7.632 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.831 6.728 -12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.068 8.257 -11.719 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.025 8.766 -10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.796 7.304 -10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.789 8.177 -13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.924 9.610 -12.565 1.00 0.00 H new ATOM 0 HE ARG A 50 10.604 8.968 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.468 11.117 -13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.626 12.451 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.057 10.695 -11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.649 12.213 -12.164 1.00 0.00 H new ATOM 807 N MET A 51 3.796 7.366 -10.552 1.00 0.00 N ATOM 808 CA MET A 51 2.356 7.115 -10.522 1.00 0.00 C ATOM 809 C MET A 51 1.930 6.058 -11.540 1.00 0.00 C ATOM 810 O MET A 51 0.943 5.357 -11.326 1.00 0.00 O ATOM 811 CB MET A 51 1.581 8.412 -10.757 1.00 0.00 C ATOM 812 CG MET A 51 0.084 8.279 -10.518 1.00 0.00 C ATOM 813 SD MET A 51 -0.780 9.849 -10.690 1.00 0.00 S ATOM 814 CE MET A 51 -0.446 10.229 -12.407 1.00 0.00 C ATOM 0 H MET A 51 4.048 8.332 -10.762 1.00 0.00 H new ATOM 0 HA MET A 51 2.121 6.728 -9.531 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.978 9.187 -10.101 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.749 8.745 -11.781 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.331 7.559 -11.224 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.088 7.880 -9.518 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.334 10.668 -12.862 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.381 10.936 -12.469 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.181 9.314 -12.937 1.00 0.00 H new ATOM 824 N GLY A 52 2.681 5.930 -12.632 1.00 0.00 N ATOM 825 CA GLY A 52 2.358 4.940 -13.643 1.00 0.00 C ATOM 826 C GLY A 52 2.444 3.521 -13.108 1.00 0.00 C ATOM 827 O GLY A 52 1.692 2.640 -13.532 1.00 0.00 O ATOM 0 H GLY A 52 3.506 6.494 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.352 5.124 -14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.039 5.050 -14.487 1.00 0.00 H new ATOM 831 N LYS A 53 3.352 3.304 -12.164 1.00 0.00 N ATOM 832 CA LYS A 53 3.537 1.989 -11.569 1.00 0.00 C ATOM 833 C LYS A 53 2.650 1.831 -10.340 1.00 0.00 C ATOM 834 O LYS A 53 2.118 0.751 -10.083 1.00 0.00 O ATOM 835 CB LYS A 53 5.005 1.746 -11.198 1.00 0.00 C ATOM 836 CG LYS A 53 5.913 1.508 -12.397 1.00 0.00 C ATOM 837 CD LYS A 53 6.174 2.785 -13.181 1.00 0.00 C ATOM 838 CE LYS A 53 6.899 2.499 -14.485 1.00 0.00 C ATOM 839 NZ LYS A 53 6.028 1.782 -15.458 1.00 0.00 N ATOM 0 H LYS A 53 3.972 4.024 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 53 3.249 1.244 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.375 2.605 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.064 0.884 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.861 1.093 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.458 0.767 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.228 3.284 -13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.768 3.470 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.239 3.437 -14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.787 1.901 -14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.455 1.828 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.931 0.787 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.089 2.229 -15.479 1.00 0.00 H new ATOM 853 N VAL A 54 2.481 2.917 -9.592 1.00 0.00 N ATOM 854 CA VAL A 54 1.602 2.908 -8.423 1.00 0.00 C ATOM 855 C VAL A 54 0.170 2.598 -8.845 1.00 0.00 C ATOM 856 O VAL A 54 -0.541 1.843 -8.177 1.00 0.00 O ATOM 857 CB VAL A 54 1.633 4.260 -7.676 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.720 4.230 -6.457 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.056 4.616 -7.273 1.00 0.00 C ATOM 0 H VAL A 54 2.938 3.811 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 54 1.965 2.134 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 54 1.265 5.030 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.760 5.193 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.303 4.029 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.049 3.446 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.057 5.571 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.453 3.841 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.679 4.691 -8.164 1.00 0.00 H new ATOM 869 N GLN A 55 -0.236 3.168 -9.976 1.00 0.00 N ATOM 870 CA GLN A 55 -1.557 2.917 -10.535 1.00 0.00 C ATOM 871 C GLN A 55 -1.711 1.430 -10.847 1.00 0.00 C ATOM 872 O GLN A 55 -2.748 0.835 -10.561 1.00 0.00 O ATOM 873 CB GLN A 55 -1.762 3.775 -11.797 1.00 0.00 C ATOM 874 CG GLN A 55 -3.183 3.790 -12.348 1.00 0.00 C ATOM 875 CD GLN A 55 -3.428 2.712 -13.387 1.00 0.00 C ATOM 876 OE1 GLN A 55 -3.172 2.913 -14.574 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.955 1.577 -12.961 1.00 0.00 N ATOM 0 H GLN A 55 0.336 3.810 -10.525 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.321 3.194 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.466 4.800 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.091 3.413 -12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.887 3.661 -11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.385 4.766 -12.790 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.153 1.447 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.163 0.831 -13.624 1.00 0.00 H new ATOM 886 N ALA A 56 -0.660 0.831 -11.397 1.00 0.00 N ATOM 887 CA ALA A 56 -0.673 -0.586 -11.740 1.00 0.00 C ATOM 888 C ALA A 56 -0.784 -1.455 -10.490 1.00 0.00 C ATOM 889 O ALA A 56 -1.444 -2.495 -10.504 1.00 0.00 O ATOM 890 CB ALA A 56 0.578 -0.949 -12.520 1.00 0.00 C ATOM 0 H ALA A 56 0.215 1.308 -11.615 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.548 -0.774 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.556 -2.010 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.619 -0.361 -13.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.459 -0.737 -11.914 1.00 0.00 H new ATOM 896 N LEU A 57 -0.131 -1.027 -9.410 1.00 0.00 N ATOM 897 CA LEU A 57 -0.209 -1.732 -8.138 1.00 0.00 C ATOM 898 C LEU A 57 -1.643 -1.733 -7.616 1.00 0.00 C ATOM 899 O LEU A 57 -2.193 -2.782 -7.284 1.00 0.00 O ATOM 900 CB LEU A 57 0.718 -1.078 -7.114 1.00 0.00 C ATOM 901 CG LEU A 57 2.211 -1.173 -7.434 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.025 -0.367 -6.434 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.662 -2.626 -7.435 1.00 0.00 C ATOM 0 H LEU A 57 0.458 -0.194 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 57 0.107 -2.763 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.448 -0.026 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.541 -1.538 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 57 2.376 -0.757 -8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.084 -0.447 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.721 0.679 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.854 -0.754 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.726 -2.676 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.481 -3.064 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.102 -3.180 -8.188 1.00 0.00 H new ATOM 915 N ALA A 58 -2.248 -0.547 -7.576 1.00 0.00 N ATOM 916 CA ALA A 58 -3.636 -0.400 -7.137 1.00 0.00 C ATOM 917 C ALA A 58 -4.580 -1.155 -8.072 1.00 0.00 C ATOM 918 O ALA A 58 -5.613 -1.671 -7.650 1.00 0.00 O ATOM 919 CB ALA A 58 -4.017 1.075 -7.071 1.00 0.00 C ATOM 0 H ALA A 58 -1.798 0.329 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.729 -0.828 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.052 1.169 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.364 1.588 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.907 1.524 -8.058 1.00 0.00 H new ATOM 925 N ASP A 59 -4.195 -1.225 -9.335 1.00 0.00 N ATOM 926 CA ASP A 59 -4.981 -1.905 -10.362 1.00 0.00 C ATOM 927 C ASP A 59 -4.979 -3.412 -10.150 1.00 0.00 C ATOM 928 O ASP A 59 -6.027 -4.056 -10.187 1.00 0.00 O ATOM 929 CB ASP A 59 -4.419 -1.564 -11.746 1.00 0.00 C ATOM 930 CG ASP A 59 -5.144 -2.251 -12.883 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.133 -1.683 -13.393 1.00 0.00 O ATOM 932 OD2 ASP A 59 -4.704 -3.342 -13.299 1.00 0.00 O ATOM 0 H ASP A 59 -3.329 -0.813 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.013 -1.561 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.470 -0.485 -11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.365 -1.841 -11.779 1.00 0.00 H new ATOM 937 N TYR A 60 -3.799 -3.966 -9.907 1.00 0.00 N ATOM 938 CA TYR A 60 -3.653 -5.403 -9.724 1.00 0.00 C ATOM 939 C TYR A 60 -4.329 -5.857 -8.436 1.00 0.00 C ATOM 940 O TYR A 60 -4.952 -6.921 -8.383 1.00 0.00 O ATOM 941 CB TYR A 60 -2.170 -5.788 -9.691 1.00 0.00 C ATOM 942 CG TYR A 60 -1.933 -7.284 -9.675 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.902 -8.011 -10.856 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.748 -7.967 -8.479 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.696 -9.378 -10.847 1.00 0.00 C ATOM 946 CE2 TYR A 60 -1.540 -9.333 -8.463 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.516 -10.032 -9.648 1.00 0.00 C ATOM 948 OH TYR A 60 -1.321 -11.397 -9.633 1.00 0.00 O ATOM 0 H TYR A 60 -2.928 -3.441 -9.832 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.134 -5.900 -10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.672 -5.359 -10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.708 -5.346 -8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.041 -7.501 -11.798 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.767 -7.421 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.676 -9.930 -11.775 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.397 -9.849 -7.525 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.875 -11.673 -10.461 1.00 0.00 H new ATOM 958 N PHE A 61 -4.210 -5.038 -7.401 1.00 0.00 N ATOM 959 CA PHE A 61 -4.736 -5.384 -6.087 1.00 0.00 C ATOM 960 C PHE A 61 -6.184 -4.927 -5.936 1.00 0.00 C ATOM 961 O PHE A 61 -6.836 -5.237 -4.939 1.00 0.00 O ATOM 962 CB PHE A 61 -3.872 -4.769 -4.981 1.00 0.00 C ATOM 963 CG PHE A 61 -2.550 -5.468 -4.769 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.437 -5.136 -5.526 1.00 0.00 C ATOM 965 CD2 PHE A 61 -2.424 -6.451 -3.801 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.225 -5.770 -5.320 1.00 0.00 C ATOM 967 CE2 PHE A 61 -1.215 -7.089 -3.593 1.00 0.00 C ATOM 968 CZ PHE A 61 -0.115 -6.748 -4.352 1.00 0.00 C ATOM 0 H PHE A 61 -3.753 -4.127 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.708 -6.470 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.683 -3.723 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.433 -4.784 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.517 -4.373 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.280 -6.722 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.634 -5.500 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.132 -7.855 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.830 -7.245 -4.189 1.00 0.00 H new ATOM 978 N ASN A 62 -6.673 -4.199 -6.938 1.00 0.00 N ATOM 979 CA ASN A 62 -8.031 -3.661 -6.942 1.00 0.00 C ATOM 980 C ASN A 62 -8.311 -2.844 -5.680 1.00 0.00 C ATOM 981 O ASN A 62 -9.332 -3.028 -5.011 1.00 0.00 O ATOM 982 CB ASN A 62 -9.064 -4.783 -7.090 1.00 0.00 C ATOM 983 CG ASN A 62 -9.020 -5.454 -8.452 1.00 0.00 C ATOM 984 OD1 ASN A 62 -8.365 -6.482 -8.639 1.00 0.00 O ATOM 985 ND2 ASN A 62 -9.709 -4.868 -9.418 1.00 0.00 N ATOM 0 H ASN A 62 -6.136 -3.965 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.116 -2.996 -7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.893 -5.532 -6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.061 -4.376 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.710 -5.266 -10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.239 -4.018 -9.223 1.00 0.00 H new ATOM 992 N ILE A 63 -7.402 -1.927 -5.368 1.00 0.00 N ATOM 993 CA ILE A 63 -7.534 -1.080 -4.186 1.00 0.00 C ATOM 994 C ILE A 63 -7.349 0.388 -4.553 1.00 0.00 C ATOM 995 O ILE A 63 -7.281 0.734 -5.736 1.00 0.00 O ATOM 996 CB ILE A 63 -6.512 -1.459 -3.091 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.086 -1.425 -3.652 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.836 -2.827 -2.508 1.00 0.00 C ATOM 999 CD1 ILE A 63 -4.016 -1.724 -2.624 1.00 0.00 C ATOM 0 H ILE A 63 -6.562 -1.750 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.538 -1.238 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.577 -0.725 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.008 -2.148 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.898 -0.441 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.106 -3.077 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.834 -2.808 -2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.801 -3.577 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.035 -1.681 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.065 -0.987 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.176 -2.720 -2.211 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.276 1.247 -3.541 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.060 2.670 -3.757 1.00 0.00 C ATOM 1013 C ASN A 64 -5.584 2.984 -3.578 1.00 0.00 C ATOM 1014 O ASN A 64 -4.860 2.228 -2.931 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.877 3.511 -2.767 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.347 3.135 -2.736 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.155 3.659 -3.505 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.704 2.236 -1.833 1.00 0.00 N ATOM 0 H ASN A 64 -7.364 0.979 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.382 2.918 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.457 3.394 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.783 4.564 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.681 1.952 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.003 1.827 -1.216 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.137 4.101 -4.127 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.736 4.490 -4.010 1.00 0.00 C ATOM 1027 C LYS A 65 -3.398 4.872 -2.570 1.00 0.00 C ATOM 1028 O LYS A 65 -2.275 4.676 -2.110 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.406 5.648 -4.957 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.238 6.898 -4.722 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.800 8.037 -5.628 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.667 9.269 -5.425 1.00 0.00 C ATOM 1033 NZ LYS A 65 -4.181 10.433 -6.212 1.00 0.00 N ATOM 0 H LYS A 65 -5.717 4.753 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.128 3.631 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.351 5.901 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.552 5.316 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.290 6.675 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.148 7.205 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.758 8.285 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.855 7.718 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.693 9.041 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.683 9.529 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.802 11.250 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.211 10.669 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.190 10.195 -7.224 1.00 0.00 H new ATOM 1047 N SER A 66 -4.386 5.399 -1.857 1.00 0.00 N ATOM 1048 CA SER A 66 -4.188 5.841 -0.482 1.00 0.00 C ATOM 1049 C SER A 66 -4.021 4.654 0.467 1.00 0.00 C ATOM 1050 O SER A 66 -3.427 4.792 1.535 1.00 0.00 O ATOM 1051 CB SER A 66 -5.364 6.710 -0.034 1.00 0.00 C ATOM 1052 OG SER A 66 -5.522 7.839 -0.882 1.00 0.00 O ATOM 0 H SER A 66 -5.334 5.531 -2.209 1.00 0.00 H new ATOM 0 HA SER A 66 -3.272 6.430 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.279 6.118 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.204 7.042 0.992 1.00 0.00 H new ATOM 0 HG SER A 66 -6.282 8.376 -0.574 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.519 3.486 0.064 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.451 2.293 0.912 1.00 0.00 C ATOM 1060 C ASP A 67 -3.004 1.867 1.140 1.00 0.00 C ATOM 1061 O ASP A 67 -2.676 1.258 2.159 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.234 1.125 0.298 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.734 1.347 0.297 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.285 1.744 1.345 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.373 1.123 -0.754 1.00 0.00 O ATOM 0 H ASP A 67 -4.972 3.339 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.903 2.554 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.896 0.968 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.008 0.214 0.852 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.144 2.185 0.183 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.735 1.830 0.273 1.00 0.00 C ATOM 1072 C LEU A 68 0.087 2.968 0.876 1.00 0.00 C ATOM 1073 O LEU A 68 1.185 2.746 1.380 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.190 1.472 -1.113 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.833 0.251 -1.774 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.278 0.049 -3.175 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.608 -0.996 -0.933 1.00 0.00 C ATOM 0 H LEU A 68 -2.398 2.689 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.650 0.964 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.322 2.332 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.882 1.296 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.906 0.429 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.747 -0.824 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.489 0.931 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.800 -0.105 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.073 -1.853 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.462 -1.175 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.051 -0.855 0.053 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.449 4.183 0.824 1.00 0.00 N ATOM 1090 CA ILE A 69 0.291 5.364 1.256 1.00 0.00 C ATOM 1091 C ILE A 69 0.007 5.715 2.718 1.00 0.00 C ATOM 1092 O ILE A 69 0.914 6.097 3.463 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.053 6.581 0.369 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.264 6.282 -1.099 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.697 7.823 0.834 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.733 6.013 -1.369 1.00 0.00 C ATOM 0 H ILE A 69 -1.392 4.376 0.487 1.00 0.00 H new ATOM 0 HA ILE A 69 1.350 5.124 1.157 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.122 6.776 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.318 5.417 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.059 7.125 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.438 8.666 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.420 8.051 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.770 7.642 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.877 5.810 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.321 6.885 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.058 5.150 -0.787 1.00 0.00 H new