USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 90 LYS NZ :NH3+ -129:sc= 0.194 (180deg=-0.475) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.294 USER MOD Set 2.1: A 20 HIS :FLIP no HE2:sc= 0.117 F(o=-0.42,f=0.76) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.586 K(o=0.76,f=-9.3!) USER MOD Set 2.3: A 34 ASN : amide:sc= 0.057 K(o=0.76,f=-0.43) USER MOD Single : A 13 SER OG : rot -145:sc= 1.53 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 0.838 (180deg=0.57) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0124 (180deg=-0.124) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 30 MET CE :methyl -172:sc= -3.66! (180deg=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 70:sc= -0.0111 USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= -0.704 (180deg=-2.44!) USER MOD Single : A 42 CYS SG : rot -40:sc= -8! USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0863) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00198) USER MOD Single : A 49 SER OG : rot 24:sc= 1.27 USER MOD Single : A 51 THR OG1 : rot 108:sc= -0.475 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0708) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -45:sc= 0.799 USER MOD Single : A 71 ASN : amide:sc= -0.601! C(o=-0.6!,f=-6.8!) USER MOD Single : A 72 TYR OH : rot 65:sc= 0.397 USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -0.737 (180deg=-2.91!) USER MOD Single : A 77 LYS NZ :NH3+ 138:sc= 1.17 (180deg=-0.0953) USER MOD Single : A 84 THR OG1 : rot -17:sc= 1.26 USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= 1.89 (180deg=-1.51!) USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.709! (180deg=-2.22!) USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.0204) USER MOD Single : A 100 CYS SG : rot 82:sc= 0.317 USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0.858) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.616 2.014 1.247 1.00 0.00 N ATOM 78 CA ILE A 7 12.699 0.591 1.636 1.00 0.00 C ATOM 79 C ILE A 7 12.738 -0.344 0.409 1.00 0.00 C ATOM 80 O ILE A 7 11.823 -0.341 -0.419 1.00 0.00 O ATOM 81 CB ILE A 7 11.494 0.186 2.534 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.397 1.095 3.770 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.602 -1.276 2.965 1.00 0.00 C ATOM 84 CD1 ILE A 7 12.579 0.985 4.710 1.00 0.00 C ATOM 0 HA ILE A 7 13.630 0.479 2.192 1.00 0.00 H new ATOM 0 HB ILE A 7 10.586 0.308 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.303 2.130 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.487 0.851 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.748 -1.535 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.611 -1.916 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.523 -1.422 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.435 1.657 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.663 -0.040 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.492 1.259 4.181 1.00 0.00 H new ATOM 96 N ALA A 8 13.786 -1.165 0.319 1.00 0.00 N ATOM 97 CA ALA A 8 13.939 -2.125 -0.786 1.00 0.00 C ATOM 98 C ALA A 8 12.950 -3.296 -0.656 1.00 0.00 C ATOM 99 O ALA A 8 12.290 -3.679 -1.622 1.00 0.00 O ATOM 100 CB ALA A 8 15.373 -2.646 -0.835 1.00 0.00 C ATOM 0 H ALA A 8 14.546 -1.187 0.999 1.00 0.00 H new ATOM 0 HA ALA A 8 13.716 -1.603 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.474 -3.355 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.058 -1.812 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.612 -3.143 0.105 1.00 0.00 H new ATOM 106 N GLY A 9 12.844 -3.848 0.551 1.00 0.00 N ATOM 107 CA GLY A 9 11.892 -4.926 0.810 1.00 0.00 C ATOM 108 C GLY A 9 10.448 -4.529 0.505 1.00 0.00 C ATOM 109 O GLY A 9 9.574 -5.383 0.344 1.00 0.00 O ATOM 0 H GLY A 9 13.401 -3.570 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.160 -5.794 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.968 -5.228 1.855 1.00 0.00 H new ATOM 113 N LEU A 10 10.197 -3.222 0.429 1.00 0.00 N ATOM 114 CA LEU A 10 8.881 -2.707 0.056 1.00 0.00 C ATOM 115 C LEU A 10 8.651 -2.887 -1.450 1.00 0.00 C ATOM 116 O LEU A 10 7.539 -3.187 -1.889 1.00 0.00 O ATOM 117 CB LEU A 10 8.752 -1.227 0.445 1.00 0.00 C ATOM 118 CG LEU A 10 7.349 -0.625 0.273 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.341 -1.380 1.135 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.357 0.868 0.611 1.00 0.00 C ATOM 0 H LEU A 10 10.891 -2.499 0.622 1.00 0.00 H new ATOM 0 HA LEU A 10 8.120 -3.271 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.053 -1.114 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.454 -0.648 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 10 7.049 -0.728 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.351 -0.943 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.318 -2.428 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.633 -1.309 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.354 1.275 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.675 1.005 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.047 1.388 -0.053 1.00 0.00 H new ATOM 132 N GLU A 11 9.718 -2.710 -2.232 1.00 0.00 N ATOM 133 CA GLU A 11 9.683 -2.989 -3.671 1.00 0.00 C ATOM 134 C GLU A 11 9.312 -4.457 -3.899 1.00 0.00 C ATOM 135 O GLU A 11 8.502 -4.788 -4.767 1.00 0.00 O ATOM 136 CB GLU A 11 11.053 -2.705 -4.309 1.00 0.00 C ATOM 137 CG GLU A 11 11.645 -1.343 -3.965 1.00 0.00 C ATOM 138 CD GLU A 11 13.043 -1.151 -4.539 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.917 -2.006 -4.277 1.00 0.00 O ATOM 140 OE2 GLU A 11 13.273 -0.162 -5.267 1.00 0.00 O ATOM 0 H GLU A 11 10.619 -2.374 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 11 8.938 -2.342 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.752 -3.480 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.957 -2.781 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.989 -0.559 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.682 -1.230 -2.882 1.00 0.00 H new ATOM 147 N GLU A 12 9.918 -5.330 -3.096 1.00 0.00 N ATOM 148 CA GLU A 12 9.623 -6.763 -3.130 1.00 0.00 C ATOM 149 C GLU A 12 8.135 -7.032 -2.852 1.00 0.00 C ATOM 150 O GLU A 12 7.450 -7.673 -3.650 1.00 0.00 O ATOM 151 CB GLU A 12 10.476 -7.509 -2.097 1.00 0.00 C ATOM 152 CG GLU A 12 10.308 -9.026 -2.155 1.00 0.00 C ATOM 153 CD GLU A 12 10.991 -9.767 -1.016 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.027 -9.290 -0.508 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.494 -10.848 -0.635 1.00 0.00 O ATOM 0 H GLU A 12 10.623 -5.067 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 12 9.862 -7.125 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.525 -7.261 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.213 -7.159 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.244 -9.264 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.706 -9.390 -3.102 1.00 0.00 H new ATOM 162 N SER A 13 7.643 -6.540 -1.712 1.00 0.00 N ATOM 163 CA SER A 13 6.229 -6.712 -1.336 1.00 0.00 C ATOM 164 C SER A 13 5.288 -6.205 -2.432 1.00 0.00 C ATOM 165 O SER A 13 4.335 -6.892 -2.810 1.00 0.00 O ATOM 166 CB SER A 13 5.924 -5.986 -0.020 1.00 0.00 C ATOM 167 OG SER A 13 6.642 -6.562 1.056 1.00 0.00 O ATOM 0 H SER A 13 8.198 -6.020 -1.032 1.00 0.00 H new ATOM 0 HA SER A 13 6.059 -7.781 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.185 -4.932 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.855 -6.032 0.186 1.00 0.00 H new ATOM 0 HG SER A 13 6.100 -6.518 1.871 1.00 0.00 H new ATOM 173 N PHE A 14 5.559 -5.004 -2.940 1.00 0.00 N ATOM 174 CA PHE A 14 4.772 -4.438 -4.038 1.00 0.00 C ATOM 175 C PHE A 14 4.809 -5.359 -5.266 1.00 0.00 C ATOM 176 O PHE A 14 3.787 -5.613 -5.897 1.00 0.00 O ATOM 177 CB PHE A 14 5.296 -3.041 -4.416 1.00 0.00 C ATOM 178 CG PHE A 14 4.529 -2.394 -5.545 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.390 -1.646 -5.289 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.937 -2.548 -6.864 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.675 -1.065 -6.319 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.223 -1.970 -7.896 1.00 0.00 C ATOM 183 CZ PHE A 14 3.092 -1.229 -7.623 1.00 0.00 C ATOM 0 H PHE A 14 6.315 -4.404 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 14 3.740 -4.348 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.250 -2.395 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.346 -3.120 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.057 -1.516 -4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.822 -3.126 -7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.791 -0.483 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.551 -2.098 -8.917 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.534 -0.778 -8.430 1.00 0.00 H new ATOM 193 N ARG A 15 5.999 -5.858 -5.582 1.00 0.00 N ATOM 194 CA ARG A 15 6.210 -6.739 -6.736 1.00 0.00 C ATOM 195 C ARG A 15 5.387 -8.036 -6.621 1.00 0.00 C ATOM 196 O ARG A 15 4.711 -8.441 -7.568 1.00 0.00 O ATOM 197 CB ARG A 15 7.706 -7.058 -6.845 1.00 0.00 C ATOM 198 CG ARG A 15 8.125 -7.758 -8.132 1.00 0.00 C ATOM 199 CD ARG A 15 9.643 -7.901 -8.200 1.00 0.00 C ATOM 200 NE ARG A 15 10.097 -8.472 -9.464 1.00 0.00 N ATOM 201 CZ ARG A 15 11.263 -8.233 -9.999 1.00 0.00 C ATOM 202 NH1 ARG A 15 12.097 -7.412 -9.442 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.594 -8.806 -11.108 1.00 0.00 N ATOM 0 H ARG A 15 6.847 -5.666 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 15 5.871 -6.227 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.267 -6.128 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.991 -7.684 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.660 -8.742 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.769 -7.191 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.103 -6.923 -8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.982 -8.532 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 15 9.463 -9.098 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.846 -6.942 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.005 -7.236 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.944 -9.445 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.505 -8.619 -11.526 1.00 0.00 H new ATOM 217 N LYS A 16 5.440 -8.675 -5.450 1.00 0.00 N ATOM 218 CA LYS A 16 4.670 -9.905 -5.206 1.00 0.00 C ATOM 219 C LYS A 16 3.153 -9.640 -5.235 1.00 0.00 C ATOM 220 O LYS A 16 2.387 -10.445 -5.765 1.00 0.00 O ATOM 221 CB LYS A 16 5.068 -10.555 -3.866 1.00 0.00 C ATOM 222 CG LYS A 16 6.322 -11.434 -3.927 1.00 0.00 C ATOM 223 CD LYS A 16 7.587 -10.632 -4.219 1.00 0.00 C ATOM 224 CE LYS A 16 8.820 -11.526 -4.325 1.00 0.00 C ATOM 225 NZ LYS A 16 9.120 -12.244 -3.051 1.00 0.00 N ATOM 0 H LYS A 16 6.003 -8.366 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 16 4.910 -10.597 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.229 -9.768 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.234 -11.160 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.440 -11.959 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.192 -12.194 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.459 -10.079 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.740 -9.896 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.668 -12.255 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.681 -10.920 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.752 -13.046 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.582 -11.592 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.234 -12.595 -2.633 1.00 0.00 H new ATOM 239 N PHE A 17 2.721 -8.515 -4.660 1.00 0.00 N ATOM 240 CA PHE A 17 1.298 -8.138 -4.678 1.00 0.00 C ATOM 241 C PHE A 17 0.844 -7.663 -6.068 1.00 0.00 C ATOM 242 O PHE A 17 -0.318 -7.826 -6.436 1.00 0.00 O ATOM 243 CB PHE A 17 1.002 -7.056 -3.624 1.00 0.00 C ATOM 244 CG PHE A 17 0.547 -7.609 -2.296 1.00 0.00 C ATOM 245 CD1 PHE A 17 -0.727 -8.148 -2.164 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.381 -7.594 -1.186 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.158 -8.659 -0.957 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.951 -8.105 0.026 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.319 -8.638 0.140 1.00 0.00 C ATOM 0 H PHE A 17 3.328 -7.851 -4.179 1.00 0.00 H new ATOM 0 HA PHE A 17 0.730 -9.035 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.900 -6.457 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.234 -6.386 -4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.389 -8.167 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.375 -7.180 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.151 -9.075 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.608 -8.087 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.655 -9.038 1.085 1.00 0.00 H new ATOM 259 N ALA A 18 1.762 -7.081 -6.835 1.00 0.00 N ATOM 260 CA ALA A 18 1.460 -6.625 -8.197 1.00 0.00 C ATOM 261 C ALA A 18 1.126 -7.809 -9.114 1.00 0.00 C ATOM 262 O ALA A 18 0.135 -7.788 -9.845 1.00 0.00 O ATOM 263 CB ALA A 18 2.635 -5.827 -8.763 1.00 0.00 C ATOM 0 H ALA A 18 2.724 -6.912 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 18 0.585 -5.977 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.396 -5.495 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.823 -4.959 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.524 -6.457 -8.788 1.00 0.00 H new ATOM 269 N ILE A 19 1.954 -8.848 -9.054 1.00 0.00 N ATOM 270 CA ILE A 19 1.756 -10.045 -9.878 1.00 0.00 C ATOM 271 C ILE A 19 0.853 -11.081 -9.176 1.00 0.00 C ATOM 272 O ILE A 19 0.664 -12.198 -9.663 1.00 0.00 O ATOM 273 CB ILE A 19 3.114 -10.696 -10.238 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.758 -11.341 -8.996 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.053 -9.652 -10.844 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.102 -11.987 -9.265 1.00 0.00 C ATOM 0 H ILE A 19 2.770 -8.889 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 19 1.258 -9.724 -10.793 1.00 0.00 H new ATOM 0 HB ILE A 19 2.936 -11.480 -10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.880 -10.580 -8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.078 -12.093 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.005 -10.120 -11.094 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.604 -9.239 -11.747 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.220 -8.851 -10.124 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.490 -12.418 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.985 -12.773 -10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.799 -11.236 -9.635 1.00 0.00 H new ATOM 288 N HIS A 20 0.303 -10.701 -8.025 1.00 0.00 N ATOM 289 CA HIS A 20 -0.621 -11.563 -7.279 1.00 0.00 C ATOM 290 C HIS A 20 -1.960 -11.709 -8.029 1.00 0.00 C ATOM 291 O HIS A 20 -2.869 -10.892 -7.871 1.00 0.00 O ATOM 292 CB HIS A 20 -0.831 -10.983 -5.869 1.00 0.00 C ATOM 293 CG HIS A 20 -1.756 -11.775 -4.999 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.050 -11.567 -4.667 1.00 0.00 N flip ATOM 295 CD2 HIS A 20 -1.375 -12.918 -4.326 1.00 0.00 C flip ATOM 296 CE1 HIS A 20 -3.421 -12.575 -3.817 1.00 0.00 C flip ATOM 297 NE2 HIS A 20 -2.395 -13.375 -3.628 1.00 0.00 N flip ATOM 0 H HIS A 20 0.480 -9.798 -7.584 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.191 -12.560 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.137 -10.908 -5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.220 -9.969 -5.962 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.641 -10.801 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.394 -13.368 -4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.399 -12.693 -3.374 1.00 0.00 H new ATOM 306 N GLY A 21 -2.074 -12.756 -8.845 1.00 0.00 N ATOM 307 CA GLY A 21 -3.212 -12.879 -9.753 1.00 0.00 C ATOM 308 C GLY A 21 -2.995 -12.041 -11.008 1.00 0.00 C ATOM 309 O GLY A 21 -3.886 -11.327 -11.467 1.00 0.00 O ATOM 0 H GLY A 21 -1.402 -13.522 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.353 -13.924 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.123 -12.557 -9.248 1.00 0.00 H new ATOM 313 N ASP A 22 -1.793 -12.156 -11.560 1.00 0.00 N ATOM 314 CA ASP A 22 -1.300 -11.264 -12.606 1.00 0.00 C ATOM 315 C ASP A 22 -2.095 -11.339 -13.925 1.00 0.00 C ATOM 316 O ASP A 22 -2.201 -12.396 -14.547 1.00 0.00 O ATOM 317 CB ASP A 22 0.171 -11.587 -12.873 1.00 0.00 C ATOM 318 CG ASP A 22 0.385 -13.020 -13.340 1.00 0.00 C ATOM 319 OD1 ASP A 22 0.093 -13.957 -12.565 1.00 0.00 O ATOM 320 OD2 ASP A 22 0.842 -13.211 -14.486 1.00 0.00 O ATOM 0 H ASP A 22 -1.125 -12.879 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.427 -10.246 -12.239 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.557 -10.902 -13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.747 -11.416 -11.963 1.00 0.00 H new ATOM 325 N PRO A 23 -2.675 -10.207 -14.369 1.00 0.00 N ATOM 326 CA PRO A 23 -3.204 -10.085 -15.730 1.00 0.00 C ATOM 327 C PRO A 23 -2.110 -9.691 -16.740 1.00 0.00 C ATOM 328 O PRO A 23 -2.205 -9.995 -17.930 1.00 0.00 O ATOM 329 CB PRO A 23 -4.253 -8.979 -15.581 1.00 0.00 C ATOM 330 CG PRO A 23 -3.713 -8.094 -14.501 1.00 0.00 C ATOM 331 CD PRO A 23 -2.912 -8.984 -13.572 1.00 0.00 C ATOM 0 HA PRO A 23 -3.608 -11.020 -16.117 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.387 -8.431 -16.514 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.226 -9.389 -15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.085 -7.308 -14.922 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.523 -7.601 -13.963 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.975 -8.512 -13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.462 -9.204 -12.657 1.00 0.00 H new ATOM 339 N LYS A 24 -1.077 -9.012 -16.238 1.00 0.00 N ATOM 340 CA LYS A 24 0.101 -8.622 -17.027 1.00 0.00 C ATOM 341 C LYS A 24 1.305 -8.389 -16.099 1.00 0.00 C ATOM 342 O LYS A 24 1.752 -7.256 -15.909 1.00 0.00 O ATOM 343 CB LYS A 24 -0.173 -7.354 -17.862 1.00 0.00 C ATOM 344 CG LYS A 24 -0.878 -7.614 -19.191 1.00 0.00 C ATOM 345 CD LYS A 24 -1.153 -6.316 -19.947 1.00 0.00 C ATOM 346 CE LYS A 24 -1.714 -6.576 -21.340 1.00 0.00 C ATOM 347 NZ LYS A 24 -2.953 -7.396 -21.304 1.00 0.00 N ATOM 0 H LYS A 24 -1.031 -8.713 -15.264 1.00 0.00 H new ATOM 0 HA LYS A 24 0.326 -9.436 -17.716 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.780 -6.669 -17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.774 -6.852 -18.059 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.263 -8.271 -19.807 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.818 -8.135 -19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.858 -5.708 -19.380 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.230 -5.741 -20.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.925 -5.624 -21.828 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.962 -7.084 -21.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.381 -7.420 -22.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.720 -8.364 -21.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.626 -6.979 -20.630 1.00 0.00 H new ATOM 361 N ALA A 25 1.782 -9.466 -15.480 1.00 0.00 N ATOM 362 CA ALA A 25 2.943 -9.396 -14.579 1.00 0.00 C ATOM 363 C ALA A 25 4.191 -8.777 -15.241 1.00 0.00 C ATOM 364 O ALA A 25 4.982 -9.482 -15.873 1.00 0.00 O ATOM 365 CB ALA A 25 3.291 -10.784 -14.059 1.00 0.00 C ATOM 0 H ALA A 25 1.386 -10.401 -15.582 1.00 0.00 H new ATOM 0 HA ALA A 25 2.651 -8.741 -13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.152 -10.718 -13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.440 -11.192 -13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.530 -11.437 -14.898 1.00 0.00 H new ATOM 371 N SER A 26 4.349 -7.462 -15.118 1.00 0.00 N ATOM 372 CA SER A 26 5.602 -6.794 -15.510 1.00 0.00 C ATOM 373 C SER A 26 6.415 -6.421 -14.265 1.00 0.00 C ATOM 374 O SER A 26 7.641 -6.355 -14.307 1.00 0.00 O ATOM 375 CB SER A 26 5.327 -5.539 -16.347 1.00 0.00 C ATOM 376 OG SER A 26 4.652 -5.854 -17.557 1.00 0.00 O ATOM 0 H SER A 26 3.633 -6.834 -14.753 1.00 0.00 H new ATOM 0 HA SER A 26 6.175 -7.492 -16.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.727 -4.838 -15.767 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.269 -5.039 -16.575 1.00 0.00 H new ATOM 0 HG SER A 26 4.491 -5.032 -18.065 1.00 0.00 H new ATOM 382 N GLY A 27 5.714 -6.168 -13.160 1.00 0.00 N ATOM 383 CA GLY A 27 6.378 -5.945 -11.875 1.00 0.00 C ATOM 384 C GLY A 27 6.333 -4.499 -11.389 1.00 0.00 C ATOM 385 O GLY A 27 7.164 -4.090 -10.577 1.00 0.00 O ATOM 0 H GLY A 27 4.696 -6.113 -13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.914 -6.583 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.419 -6.256 -11.958 1.00 0.00 H new ATOM 389 N GLN A 28 5.366 -3.722 -11.870 1.00 0.00 N ATOM 390 CA GLN A 28 5.235 -2.314 -11.457 1.00 0.00 C ATOM 391 C GLN A 28 3.763 -1.858 -11.399 1.00 0.00 C ATOM 392 O GLN A 28 3.478 -0.700 -11.085 1.00 0.00 O ATOM 393 CB GLN A 28 6.017 -1.416 -12.424 1.00 0.00 C ATOM 394 CG GLN A 28 5.501 -1.477 -13.859 1.00 0.00 C ATOM 395 CD GLN A 28 6.289 -0.605 -14.817 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.834 0.428 -14.439 1.00 0.00 O ATOM 397 NE2 GLN A 28 6.346 -1.003 -16.070 1.00 0.00 N ATOM 0 H GLN A 28 4.664 -4.033 -12.541 1.00 0.00 H new ATOM 0 HA GLN A 28 5.645 -2.228 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.968 -0.386 -12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.067 -1.708 -12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.535 -2.510 -14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.455 -1.170 -13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.882 -1.867 -16.352 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.854 -0.448 -16.759 1.00 0.00 H new ATOM 406 N GLU A 29 2.837 -2.766 -11.702 1.00 0.00 N ATOM 407 CA GLU A 29 1.409 -2.429 -11.770 1.00 0.00 C ATOM 408 C GLU A 29 0.601 -3.146 -10.673 1.00 0.00 C ATOM 409 O GLU A 29 0.587 -4.375 -10.605 1.00 0.00 O ATOM 410 CB GLU A 29 0.836 -2.812 -13.148 1.00 0.00 C ATOM 411 CG GLU A 29 1.671 -2.335 -14.342 1.00 0.00 C ATOM 412 CD GLU A 29 2.784 -3.303 -14.758 1.00 0.00 C ATOM 413 OE1 GLU A 29 3.218 -4.150 -13.936 1.00 0.00 O ATOM 414 OE2 GLU A 29 3.232 -3.218 -15.923 1.00 0.00 O ATOM 0 H GLU A 29 3.047 -3.743 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 29 1.323 -1.353 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.741 -3.897 -13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.169 -2.399 -13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.009 -2.174 -15.193 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.116 -1.371 -14.097 1.00 0.00 H new ATOM 421 N MET A 30 -0.081 -2.378 -9.824 1.00 0.00 N ATOM 422 CA MET A 30 -0.958 -2.952 -8.791 1.00 0.00 C ATOM 423 C MET A 30 -2.413 -2.485 -8.967 1.00 0.00 C ATOM 424 O MET A 30 -2.675 -1.302 -9.179 1.00 0.00 O ATOM 425 CB MET A 30 -0.457 -2.587 -7.384 1.00 0.00 C ATOM 426 CG MET A 30 -1.367 -3.088 -6.265 1.00 0.00 C ATOM 427 SD MET A 30 -0.748 -2.696 -4.618 1.00 0.00 S ATOM 428 CE MET A 30 0.751 -3.672 -4.576 1.00 0.00 C ATOM 0 H MET A 30 -0.047 -1.359 -9.827 1.00 0.00 H new ATOM 0 HA MET A 30 -0.930 -4.036 -8.906 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.541 -3.002 -7.243 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.365 -1.503 -7.309 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.358 -2.650 -6.388 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.482 -4.168 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.173 -3.648 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.522 -4.702 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.472 -3.261 -5.282 1.00 0.00 H new ATOM 438 N ASN A 31 -3.352 -3.429 -8.872 1.00 0.00 N ATOM 439 CA ASN A 31 -4.789 -3.128 -8.992 1.00 0.00 C ATOM 440 C ASN A 31 -5.444 -2.924 -7.616 1.00 0.00 C ATOM 441 O ASN A 31 -4.877 -3.285 -6.581 1.00 0.00 O ATOM 442 CB ASN A 31 -5.508 -4.256 -9.758 1.00 0.00 C ATOM 443 CG ASN A 31 -5.188 -5.642 -9.226 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.910 -5.820 -8.048 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.214 -6.636 -10.091 1.00 0.00 N ATOM 0 H ASN A 31 -3.146 -4.415 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.885 -2.196 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.584 -4.093 -9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.230 -4.205 -10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.999 -7.585 -9.784 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.449 -6.457 -11.067 1.00 0.00 H new ATOM 452 N GLY A 32 -6.649 -2.357 -7.617 1.00 0.00 N ATOM 453 CA GLY A 32 -7.388 -2.140 -6.374 1.00 0.00 C ATOM 454 C GLY A 32 -7.697 -3.434 -5.622 1.00 0.00 C ATOM 455 O GLY A 32 -7.758 -3.450 -4.391 1.00 0.00 O ATOM 0 H GLY A 32 -7.132 -2.041 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.811 -1.480 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.323 -1.627 -6.600 1.00 0.00 H new ATOM 459 N LYS A 33 -7.892 -4.520 -6.368 1.00 0.00 N ATOM 460 CA LYS A 33 -8.139 -5.842 -5.779 1.00 0.00 C ATOM 461 C LYS A 33 -6.988 -6.283 -4.855 1.00 0.00 C ATOM 462 O LYS A 33 -7.212 -6.629 -3.691 1.00 0.00 O ATOM 463 CB LYS A 33 -8.356 -6.881 -6.892 1.00 0.00 C ATOM 464 CG LYS A 33 -9.684 -6.715 -7.628 1.00 0.00 C ATOM 465 CD LYS A 33 -9.924 -7.828 -8.648 1.00 0.00 C ATOM 466 CE LYS A 33 -11.285 -7.684 -9.325 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.545 -8.766 -10.315 1.00 0.00 N ATOM 0 H LYS A 33 -7.884 -4.513 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.039 -5.771 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.540 -6.808 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.312 -7.880 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.499 -6.706 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.698 -5.751 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.137 -7.807 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.864 -8.797 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.068 -7.694 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.338 -6.717 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.480 -8.624 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.815 -8.742 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.522 -9.688 -9.835 1.00 0.00 H new ATOM 481 N ASN A 34 -5.760 -6.266 -5.371 1.00 0.00 N ATOM 482 CA ASN A 34 -4.592 -6.649 -4.568 1.00 0.00 C ATOM 483 C ASN A 34 -4.280 -5.603 -3.491 1.00 0.00 C ATOM 484 O ASN A 34 -3.824 -5.948 -2.407 1.00 0.00 O ATOM 485 CB ASN A 34 -3.362 -6.881 -5.458 1.00 0.00 C ATOM 486 CG ASN A 34 -3.542 -8.073 -6.381 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.299 -8.992 -6.086 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.829 -8.089 -7.488 1.00 0.00 N ATOM 0 H ASN A 34 -5.545 -5.995 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.839 -7.585 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.172 -5.988 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.485 -7.038 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.898 -8.881 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.208 -7.310 -7.706 1.00 0.00 H new ATOM 495 N TRP A 35 -4.530 -4.331 -3.801 1.00 0.00 N ATOM 496 CA TRP A 35 -4.375 -3.238 -2.826 1.00 0.00 C ATOM 497 C TRP A 35 -5.253 -3.461 -1.582 1.00 0.00 C ATOM 498 O TRP A 35 -4.793 -3.326 -0.443 1.00 0.00 O ATOM 499 CB TRP A 35 -4.729 -1.902 -3.500 1.00 0.00 C ATOM 500 CG TRP A 35 -4.950 -0.761 -2.546 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.153 -0.252 -2.146 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.945 0.015 -1.879 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.959 0.786 -1.270 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.613 0.970 -1.091 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.548 -0.011 -1.867 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.934 1.893 -0.304 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.874 0.908 -1.086 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.568 1.846 -0.313 1.00 0.00 C ATOM 0 H TRP A 35 -4.842 -4.026 -4.723 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.338 -3.217 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.928 -1.633 -4.188 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.630 -2.039 -4.098 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.117 -0.614 -2.472 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.697 1.332 -0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.006 -0.735 -2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.466 2.620 0.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.794 0.903 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.012 2.548 0.290 1.00 0.00 H new ATOM 519 N ALA A 36 -6.517 -3.805 -1.805 1.00 0.00 N ATOM 520 CA ALA A 36 -7.450 -4.071 -0.710 1.00 0.00 C ATOM 521 C ALA A 36 -7.016 -5.298 0.110 1.00 0.00 C ATOM 522 O ALA A 36 -6.943 -5.246 1.343 1.00 0.00 O ATOM 523 CB ALA A 36 -8.857 -4.266 -1.259 1.00 0.00 C ATOM 0 H ALA A 36 -6.922 -3.907 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.445 -3.209 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.544 -4.463 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.170 -3.364 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.865 -5.110 -1.949 1.00 0.00 H new ATOM 529 N LYS A 37 -6.716 -6.401 -0.578 1.00 0.00 N ATOM 530 CA LYS A 37 -6.267 -7.622 0.079 1.00 0.00 C ATOM 531 C LYS A 37 -4.872 -7.454 0.702 1.00 0.00 C ATOM 532 O LYS A 37 -4.509 -8.180 1.624 1.00 0.00 O ATOM 533 CB LYS A 37 -6.300 -8.783 -0.918 1.00 0.00 C ATOM 534 CG LYS A 37 -7.705 -9.043 -1.469 1.00 0.00 C ATOM 535 CD LYS A 37 -7.807 -10.342 -2.266 1.00 0.00 C ATOM 536 CE LYS A 37 -6.925 -10.343 -3.508 1.00 0.00 C ATOM 537 NZ LYS A 37 -7.280 -11.460 -4.424 1.00 0.00 N ATOM 0 H LYS A 37 -6.777 -6.470 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.948 -7.844 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.623 -8.567 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.931 -9.686 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.413 -9.076 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.999 -8.209 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.527 -11.179 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.844 -10.501 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.031 -9.393 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.879 -10.430 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.662 -11.433 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.156 -12.367 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.271 -11.362 -4.723 1.00 0.00 H new ATOM 551 N LEU A 38 -4.106 -6.487 0.202 1.00 0.00 N ATOM 552 CA LEU A 38 -2.825 -6.107 0.814 1.00 0.00 C ATOM 553 C LEU A 38 -3.073 -5.578 2.234 1.00 0.00 C ATOM 554 O LEU A 38 -2.471 -6.039 3.210 1.00 0.00 O ATOM 555 CB LEU A 38 -2.125 -5.040 -0.062 1.00 0.00 C ATOM 556 CG LEU A 38 -0.672 -4.670 0.311 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.020 -3.979 -0.861 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.617 -3.772 1.552 1.00 0.00 C ATOM 0 H LEU A 38 -4.348 -5.947 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.173 -6.978 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.131 -5.392 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.725 -4.130 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.148 -5.597 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.042 -3.725 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.035 -4.649 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.522 -3.069 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.421 -3.533 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.167 -2.851 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.066 -4.292 2.398 1.00 0.00 H new ATOM 570 N CYS A 39 -3.981 -4.611 2.337 1.00 0.00 N ATOM 571 CA CYS A 39 -4.369 -4.048 3.630 1.00 0.00 C ATOM 572 C CYS A 39 -4.916 -5.134 4.567 1.00 0.00 C ATOM 573 O CYS A 39 -4.643 -5.128 5.763 1.00 0.00 O ATOM 574 CB CYS A 39 -5.411 -2.941 3.438 1.00 0.00 C ATOM 575 SG CYS A 39 -4.835 -1.555 2.424 1.00 0.00 S ATOM 0 H CYS A 39 -4.464 -4.199 1.539 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.478 -3.621 4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.301 -3.370 2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.709 -2.563 4.416 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.710 -1.943 1.190 1.00 0.00 H new ATOM 581 N LYS A 40 -5.678 -6.074 4.011 1.00 0.00 N ATOM 582 CA LYS A 40 -6.225 -7.191 4.794 1.00 0.00 C ATOM 583 C LYS A 40 -5.119 -8.166 5.259 1.00 0.00 C ATOM 584 O LYS A 40 -5.098 -8.581 6.417 1.00 0.00 O ATOM 585 CB LYS A 40 -7.283 -7.953 3.970 1.00 0.00 C ATOM 586 CG LYS A 40 -7.805 -9.217 4.659 1.00 0.00 C ATOM 587 CD LYS A 40 -8.771 -10.020 3.780 1.00 0.00 C ATOM 588 CE LYS A 40 -10.197 -9.466 3.793 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.315 -8.153 3.101 1.00 0.00 N ATOM 0 H LYS A 40 -5.933 -6.088 3.023 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.691 -6.768 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.122 -7.287 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.853 -8.226 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.961 -9.850 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.310 -8.938 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.400 -10.027 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.787 -11.055 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.865 -10.184 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.530 -9.358 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.242 -8.088 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.223 -7.385 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.562 -8.067 2.388 1.00 0.00 H new ATOM 603 N ASP A 41 -4.196 -8.502 4.359 1.00 0.00 N ATOM 604 CA ASP A 41 -3.178 -9.532 4.621 1.00 0.00 C ATOM 605 C ASP A 41 -2.165 -9.099 5.703 1.00 0.00 C ATOM 606 O ASP A 41 -1.673 -9.932 6.467 1.00 0.00 O ATOM 607 CB ASP A 41 -2.459 -9.889 3.311 1.00 0.00 C ATOM 608 CG ASP A 41 -1.544 -11.094 3.446 1.00 0.00 C ATOM 609 OD1 ASP A 41 -2.044 -12.192 3.763 1.00 0.00 O ATOM 610 OD2 ASP A 41 -0.320 -10.950 3.243 1.00 0.00 O ATOM 0 H ASP A 41 -4.128 -8.076 3.435 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.688 -10.414 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.201 -10.088 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.875 -9.031 2.978 1.00 0.00 H new ATOM 615 N CYS A 42 -1.855 -7.801 5.772 1.00 0.00 N ATOM 616 CA CYS A 42 -0.971 -7.276 6.836 1.00 0.00 C ATOM 617 C CYS A 42 -1.775 -6.470 7.861 1.00 0.00 C ATOM 618 O CYS A 42 -1.223 -5.931 8.821 1.00 0.00 O ATOM 619 CB CYS A 42 0.166 -6.407 6.271 1.00 0.00 C ATOM 620 SG CYS A 42 1.295 -5.780 7.526 1.00 0.00 S ATOM 0 H CYS A 42 -2.194 -7.097 5.117 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.521 -8.140 7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.732 -6.992 5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.267 -5.564 5.732 1.00 0.00 H new ATOM 0 HG CYS A 42 0.620 -5.422 8.578 1.00 0.00 H new ATOM 626 N LYS A 43 -3.089 -6.399 7.642 1.00 0.00 N ATOM 627 CA LYS A 43 -4.018 -5.744 8.571 1.00 0.00 C ATOM 628 C LYS A 43 -3.731 -4.240 8.714 1.00 0.00 C ATOM 629 O LYS A 43 -3.865 -3.665 9.794 1.00 0.00 O ATOM 630 CB LYS A 43 -4.014 -6.451 9.937 1.00 0.00 C ATOM 631 CG LYS A 43 -4.550 -7.885 9.880 1.00 0.00 C ATOM 632 CD LYS A 43 -3.527 -8.876 9.330 1.00 0.00 C ATOM 633 CE LYS A 43 -4.100 -10.288 9.231 1.00 0.00 C ATOM 634 NZ LYS A 43 -4.465 -10.842 10.562 1.00 0.00 N ATOM 0 H LYS A 43 -3.541 -6.793 6.817 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.018 -5.832 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.996 -6.466 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.616 -5.873 10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.850 -8.196 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.444 -7.910 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.197 -8.548 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.648 -8.885 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.982 -10.276 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.369 -10.942 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.721 -11.845 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.655 -10.754 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.275 -10.315 10.947 1.00 0.00 H new ATOM 648 N VAL A 44 -3.369 -3.606 7.598 1.00 0.00 N ATOM 649 CA VAL A 44 -3.205 -2.149 7.544 1.00 0.00 C ATOM 650 C VAL A 44 -4.546 -1.447 7.831 1.00 0.00 C ATOM 651 O VAL A 44 -4.586 -0.317 8.321 1.00 0.00 O ATOM 652 CB VAL A 44 -2.658 -1.697 6.163 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.425 -0.187 6.131 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.372 -2.451 5.820 1.00 0.00 C ATOM 0 H VAL A 44 -3.183 -4.080 6.714 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.482 -1.866 8.309 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.408 -1.936 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.042 0.101 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.366 0.330 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.701 0.086 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.004 -2.120 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.618 -2.250 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.576 -3.521 5.786 1.00 0.00 H new ATOM 664 N ALA A 45 -5.640 -2.139 7.508 1.00 0.00 N ATOM 665 CA ALA A 45 -6.984 -1.701 7.898 1.00 0.00 C ATOM 666 C ALA A 45 -7.070 -1.557 9.425 1.00 0.00 C ATOM 667 O ALA A 45 -6.956 -2.542 10.159 1.00 0.00 O ATOM 668 CB ALA A 45 -8.021 -2.702 7.393 1.00 0.00 C ATOM 0 H ALA A 45 -5.622 -3.009 6.975 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.189 -0.729 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.018 -2.372 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.965 -2.767 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.822 -3.682 7.826 1.00 0.00 H new ATOM 674 N ASP A 46 -7.287 -0.333 9.906 1.00 0.00 N ATOM 675 CA ASP A 46 -7.176 -0.054 11.337 1.00 0.00 C ATOM 676 C ASP A 46 -8.212 0.978 11.794 1.00 0.00 C ATOM 677 O ASP A 46 -8.977 0.695 12.702 1.00 0.00 O ATOM 678 CB ASP A 46 -5.767 0.452 11.649 1.00 0.00 C ATOM 679 CG ASP A 46 -5.448 0.451 13.135 1.00 0.00 C ATOM 680 OD1 ASP A 46 -5.960 1.324 13.864 1.00 0.00 O ATOM 681 OD2 ASP A 46 -4.665 -0.424 13.571 1.00 0.00 O ATOM 0 H ASP A 46 -7.538 0.473 9.333 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.369 -0.980 11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.040 -0.170 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.657 1.464 11.261 1.00 0.00 H new ATOM 686 N GLY A 47 -8.282 2.110 11.065 1.00 0.00 N ATOM 687 CA GLY A 47 -8.951 3.350 11.500 1.00 0.00 C ATOM 688 C GLY A 47 -9.653 3.303 12.856 1.00 0.00 C ATOM 689 O GLY A 47 -10.809 3.710 12.962 1.00 0.00 O ATOM 0 H GLY A 47 -7.865 2.188 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.208 4.147 11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.686 3.625 10.744 1.00 0.00 H new ATOM 693 N LYS A 48 -8.967 2.785 13.879 1.00 0.00 N ATOM 694 CA LYS A 48 -9.550 2.628 15.230 1.00 0.00 C ATOM 695 C LYS A 48 -10.851 1.782 15.199 1.00 0.00 C ATOM 696 O LYS A 48 -11.480 1.538 16.229 1.00 0.00 O ATOM 697 CB LYS A 48 -9.814 4.021 15.812 1.00 0.00 C ATOM 698 CG LYS A 48 -10.335 4.042 17.244 1.00 0.00 C ATOM 699 CD LYS A 48 -10.507 5.474 17.744 1.00 0.00 C ATOM 700 CE LYS A 48 -11.345 6.311 16.781 1.00 0.00 C ATOM 701 NZ LYS A 48 -12.742 5.808 16.673 1.00 0.00 N ATOM 0 H LYS A 48 -8.002 2.464 13.804 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.844 2.090 15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.888 4.595 15.772 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.534 4.533 15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.290 3.518 17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.643 3.507 17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.983 5.462 18.725 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.528 5.936 17.870 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.358 7.347 17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.880 6.303 15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.280 6.415 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.733 4.834 16.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.190 5.824 17.611 1.00 0.00 H new ATOM 715 N SER A 49 -11.177 1.282 14.005 1.00 0.00 N ATOM 716 CA SER A 49 -12.472 0.653 13.677 1.00 0.00 C ATOM 717 C SER A 49 -12.536 0.389 12.163 1.00 0.00 C ATOM 718 O SER A 49 -13.217 -0.523 11.702 1.00 0.00 O ATOM 719 CB SER A 49 -13.673 1.543 14.068 1.00 0.00 C ATOM 720 OG SER A 49 -13.911 1.538 15.467 1.00 0.00 O ATOM 0 H SER A 49 -10.534 1.301 13.213 1.00 0.00 H new ATOM 0 HA SER A 49 -12.537 -0.275 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.489 2.565 13.736 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.566 1.195 13.548 1.00 0.00 H new ATOM 0 HG SER A 49 -13.086 1.297 15.938 1.00 0.00 H new ATOM 726 N VAL A 50 -11.798 1.219 11.410 1.00 0.00 N ATOM 727 CA VAL A 50 -11.706 1.170 9.934 1.00 0.00 C ATOM 728 C VAL A 50 -13.059 1.458 9.267 1.00 0.00 C ATOM 729 O VAL A 50 -14.118 1.308 9.874 1.00 0.00 O ATOM 730 CB VAL A 50 -11.133 -0.160 9.347 1.00 0.00 C ATOM 731 CG1 VAL A 50 -10.229 0.138 8.153 1.00 0.00 C ATOM 732 CG2 VAL A 50 -10.404 -1.010 10.384 1.00 0.00 C ATOM 0 H VAL A 50 -11.232 1.964 11.817 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.988 1.956 9.700 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.985 -0.753 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.836 -0.796 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.803 0.651 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.402 0.773 8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.031 -1.919 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.568 -0.445 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.092 -1.274 11.187 1.00 0.00 H new ATOM 742 N THR A 51 -13.013 1.877 8.006 1.00 0.00 N ATOM 743 CA THR A 51 -14.236 2.237 7.272 1.00 0.00 C ATOM 744 C THR A 51 -14.346 1.472 5.941 1.00 0.00 C ATOM 745 O THR A 51 -15.405 1.453 5.309 1.00 0.00 O ATOM 746 CB THR A 51 -14.285 3.764 6.990 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.680 4.063 5.724 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.551 4.546 8.086 1.00 0.00 C ATOM 0 H THR A 51 -12.152 1.977 7.469 1.00 0.00 H new ATOM 0 HA THR A 51 -15.078 1.958 7.905 1.00 0.00 H new ATOM 0 HB THR A 51 -15.333 4.062 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.376 4.309 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.599 5.613 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.023 4.352 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.509 4.230 8.123 1.00 0.00 H new ATOM 756 N GLY A 52 -13.252 0.823 5.529 1.00 0.00 N ATOM 757 CA GLY A 52 -13.213 0.141 4.234 1.00 0.00 C ATOM 758 C GLY A 52 -13.115 1.116 3.064 1.00 0.00 C ATOM 759 O GLY A 52 -12.081 1.200 2.382 1.00 0.00 O ATOM 0 H GLY A 52 -12.389 0.756 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.360 -0.538 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.109 -0.469 4.121 1.00 0.00 H new ATOM 763 N THR A 53 -14.186 1.878 2.850 1.00 0.00 N ATOM 764 CA THR A 53 -14.211 2.920 1.823 1.00 0.00 C ATOM 765 C THR A 53 -12.968 3.810 1.909 1.00 0.00 C ATOM 766 O THR A 53 -12.406 4.192 0.892 1.00 0.00 O ATOM 767 CB THR A 53 -15.481 3.794 1.948 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.648 2.960 1.907 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.559 4.829 0.830 1.00 0.00 C ATOM 0 H THR A 53 -15.054 1.793 3.378 1.00 0.00 H new ATOM 0 HA THR A 53 -14.220 2.419 0.855 1.00 0.00 H new ATOM 0 HB THR A 53 -15.432 4.323 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.451 3.516 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.464 5.425 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.686 5.480 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.583 4.322 -0.134 1.00 0.00 H new ATOM 777 N ASP A 54 -12.528 4.107 3.137 1.00 0.00 N ATOM 778 CA ASP A 54 -11.309 4.893 3.369 1.00 0.00 C ATOM 779 C ASP A 54 -10.116 4.309 2.593 1.00 0.00 C ATOM 780 O ASP A 54 -9.395 5.030 1.901 1.00 0.00 O ATOM 781 CB ASP A 54 -10.997 4.932 4.870 1.00 0.00 C ATOM 782 CG ASP A 54 -9.819 5.829 5.205 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.017 7.058 5.322 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.693 5.316 5.356 1.00 0.00 O ATOM 0 H ASP A 54 -13.001 3.813 3.991 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.479 5.907 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.877 5.280 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.788 3.921 5.219 1.00 0.00 H new ATOM 789 N VAL A 55 -9.936 2.991 2.688 1.00 0.00 N ATOM 790 CA VAL A 55 -8.867 2.297 1.965 1.00 0.00 C ATOM 791 C VAL A 55 -9.045 2.453 0.447 1.00 0.00 C ATOM 792 O VAL A 55 -8.068 2.589 -0.303 1.00 0.00 O ATOM 793 CB VAL A 55 -8.833 0.788 2.329 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.703 0.067 1.594 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.702 0.601 3.842 1.00 0.00 C ATOM 0 H VAL A 55 -10.518 2.380 3.260 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.923 2.752 2.263 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.775 0.344 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.705 -0.988 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.850 0.162 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.747 0.512 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.680 -0.463 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.780 1.068 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.553 1.065 4.341 1.00 0.00 H new ATOM 805 N ASP A 56 -10.302 2.467 -0.003 1.00 0.00 N ATOM 806 CA ASP A 56 -10.595 2.643 -1.431 1.00 0.00 C ATOM 807 C ASP A 56 -10.347 4.101 -1.849 1.00 0.00 C ATOM 808 O ASP A 56 -9.971 4.392 -2.987 1.00 0.00 O ATOM 809 CB ASP A 56 -12.041 2.240 -1.740 1.00 0.00 C ATOM 810 CG ASP A 56 -12.306 0.772 -1.448 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.816 -0.087 -2.217 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.004 0.469 -0.458 1.00 0.00 O ATOM 0 H ASP A 56 -11.125 2.360 0.590 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.929 1.996 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.721 2.854 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.256 2.444 -2.789 1.00 0.00 H new ATOM 817 N ILE A 57 -10.547 5.005 -0.897 1.00 0.00 N ATOM 818 CA ILE A 57 -10.306 6.433 -1.093 1.00 0.00 C ATOM 819 C ILE A 57 -8.807 6.727 -1.204 1.00 0.00 C ATOM 820 O ILE A 57 -8.388 7.514 -2.045 1.00 0.00 O ATOM 821 CB ILE A 57 -10.918 7.242 0.073 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.432 6.979 0.149 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.621 8.737 -0.075 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.272 7.832 -0.782 1.00 0.00 C ATOM 0 H ILE A 57 -10.882 4.769 0.037 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.784 6.732 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.459 6.914 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.616 5.929 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.765 7.147 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.064 9.280 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.543 8.895 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.045 9.101 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.325 7.577 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.124 8.885 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.972 7.648 -1.814 1.00 0.00 H new ATOM 836 N VAL A 58 -8.001 6.082 -0.356 1.00 0.00 N ATOM 837 CA VAL A 58 -6.540 6.221 -0.424 1.00 0.00 C ATOM 838 C VAL A 58 -6.011 5.786 -1.801 1.00 0.00 C ATOM 839 O VAL A 58 -5.171 6.466 -2.399 1.00 0.00 O ATOM 840 CB VAL A 58 -5.839 5.402 0.687 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.316 5.511 0.573 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.314 5.861 2.064 1.00 0.00 C ATOM 0 H VAL A 58 -8.331 5.461 0.383 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.310 7.275 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.108 4.353 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.849 4.926 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.995 5.129 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.018 6.555 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.813 5.276 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.077 6.917 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.392 5.718 2.143 1.00 0.00 H new ATOM 852 N PHE A 59 -6.524 4.663 -2.309 1.00 0.00 N ATOM 853 CA PHE A 59 -6.191 4.213 -3.666 1.00 0.00 C ATOM 854 C PHE A 59 -6.570 5.292 -4.699 1.00 0.00 C ATOM 855 O PHE A 59 -5.820 5.571 -5.634 1.00 0.00 O ATOM 856 CB PHE A 59 -6.907 2.890 -3.984 1.00 0.00 C ATOM 857 CG PHE A 59 -6.473 2.258 -5.287 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.324 1.483 -5.348 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.215 2.438 -6.447 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.926 0.901 -6.537 1.00 0.00 C ATOM 861 CE2 PHE A 59 -6.818 1.857 -7.637 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.673 1.089 -7.682 1.00 0.00 C ATOM 0 H PHE A 59 -7.167 4.051 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.115 4.045 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.726 2.186 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.982 3.069 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.734 1.333 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.112 3.039 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.030 0.299 -6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.405 2.004 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.362 0.636 -8.612 1.00 0.00 H new ATOM 872 N SER A 60 -7.737 5.907 -4.506 1.00 0.00 N ATOM 873 CA SER A 60 -8.197 7.010 -5.371 1.00 0.00 C ATOM 874 C SER A 60 -7.424 8.311 -5.096 1.00 0.00 C ATOM 875 O SER A 60 -7.319 9.180 -5.961 1.00 0.00 O ATOM 876 CB SER A 60 -9.700 7.255 -5.170 1.00 0.00 C ATOM 877 OG SER A 60 -10.133 8.424 -5.856 1.00 0.00 O ATOM 0 H SER A 60 -8.387 5.664 -3.758 1.00 0.00 H new ATOM 0 HA SER A 60 -8.008 6.713 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.262 6.392 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.914 7.355 -4.106 1.00 0.00 H new ATOM 0 HG SER A 60 -11.094 8.552 -5.710 1.00 0.00 H new ATOM 883 N LYS A 61 -6.874 8.423 -3.892 1.00 0.00 N ATOM 884 CA LYS A 61 -6.160 9.626 -3.451 1.00 0.00 C ATOM 885 C LYS A 61 -4.804 9.761 -4.162 1.00 0.00 C ATOM 886 O LYS A 61 -4.381 10.863 -4.515 1.00 0.00 O ATOM 887 CB LYS A 61 -5.975 9.567 -1.928 1.00 0.00 C ATOM 888 CG LYS A 61 -5.532 10.877 -1.286 1.00 0.00 C ATOM 889 CD LYS A 61 -5.418 10.733 0.230 1.00 0.00 C ATOM 890 CE LYS A 61 -5.050 12.045 0.912 1.00 0.00 C ATOM 891 NZ LYS A 61 -6.120 13.070 0.790 1.00 0.00 N ATOM 0 H LYS A 61 -6.908 7.684 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.749 10.505 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.916 9.256 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.239 8.798 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.570 11.182 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.246 11.664 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.365 10.372 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.665 9.981 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.849 11.858 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.129 12.432 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.882 13.892 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.202 13.369 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.025 12.666 1.106 1.00 0.00 H new ATOM 905 N VAL A 62 -4.125 8.631 -4.361 1.00 0.00 N ATOM 906 CA VAL A 62 -2.874 8.602 -5.134 1.00 0.00 C ATOM 907 C VAL A 62 -3.143 8.326 -6.626 1.00 0.00 C ATOM 908 O VAL A 62 -2.244 8.431 -7.464 1.00 0.00 O ATOM 909 CB VAL A 62 -1.894 7.534 -4.586 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.517 7.842 -3.138 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.490 6.129 -4.706 1.00 0.00 C ATOM 0 H VAL A 62 -4.416 7.723 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.418 9.587 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.987 7.566 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.828 7.081 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.038 8.820 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.416 7.846 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.782 5.399 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.417 6.077 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.696 5.909 -5.754 1.00 0.00 H new ATOM 921 N LYS A 63 -4.387 7.969 -6.942 1.00 0.00 N ATOM 922 CA LYS A 63 -4.798 7.687 -8.320 1.00 0.00 C ATOM 923 C LYS A 63 -4.807 8.960 -9.185 1.00 0.00 C ATOM 924 O LYS A 63 -5.552 9.906 -8.914 1.00 0.00 O ATOM 925 CB LYS A 63 -6.197 7.051 -8.328 1.00 0.00 C ATOM 926 CG LYS A 63 -6.759 6.810 -9.724 1.00 0.00 C ATOM 927 CD LYS A 63 -8.176 6.241 -9.692 1.00 0.00 C ATOM 928 CE LYS A 63 -8.240 4.877 -9.014 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.581 4.255 -9.164 1.00 0.00 N ATOM 0 H LYS A 63 -5.135 7.867 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.072 6.995 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.156 6.101 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.882 7.697 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.760 7.748 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.106 6.122 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.832 6.936 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.553 6.155 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.483 4.220 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.004 4.985 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.589 3.329 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.299 4.870 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.795 4.130 -10.174 1.00 0.00 H new ATOM 943 N GLY A 64 -3.986 8.970 -10.235 1.00 0.00 N ATOM 944 CA GLY A 64 -3.939 10.107 -11.151 1.00 0.00 C ATOM 945 C GLY A 64 -5.135 10.167 -12.104 1.00 0.00 C ATOM 946 O GLY A 64 -4.971 10.057 -13.320 1.00 0.00 O ATOM 0 H GLY A 64 -3.349 8.209 -10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.898 11.030 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.020 10.056 -11.735 1.00 0.00 H new ATOM 950 N LYS A 65 -6.335 10.341 -11.541 1.00 0.00 N ATOM 951 CA LYS A 65 -7.582 10.448 -12.320 1.00 0.00 C ATOM 952 C LYS A 65 -7.872 9.186 -13.160 1.00 0.00 C ATOM 953 O LYS A 65 -7.271 8.971 -14.216 1.00 0.00 O ATOM 954 CB LYS A 65 -7.553 11.692 -13.223 1.00 0.00 C ATOM 955 CG LYS A 65 -7.487 13.009 -12.451 1.00 0.00 C ATOM 956 CD LYS A 65 -7.526 14.217 -13.386 1.00 0.00 C ATOM 957 CE LYS A 65 -7.484 15.537 -12.624 1.00 0.00 C ATOM 958 NZ LYS A 65 -7.582 16.707 -13.540 1.00 0.00 N ATOM 0 H LYS A 65 -6.474 10.412 -10.533 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.393 10.545 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.692 11.627 -13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.443 11.694 -13.853 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.322 13.063 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.573 13.037 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.682 14.169 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.432 14.177 -13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.303 15.568 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.557 15.598 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.550 17.586 -12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.786 16.691 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.478 16.662 -14.066 1.00 0.00 H new ATOM 972 N SER A 66 -8.790 8.348 -12.671 1.00 0.00 N ATOM 973 CA SER A 66 -9.261 7.149 -13.402 1.00 0.00 C ATOM 974 C SER A 66 -8.145 6.107 -13.636 1.00 0.00 C ATOM 975 O SER A 66 -8.318 5.161 -14.408 1.00 0.00 O ATOM 976 CB SER A 66 -9.889 7.548 -14.751 1.00 0.00 C ATOM 977 OG SER A 66 -10.492 6.435 -15.399 1.00 0.00 O ATOM 0 H SER A 66 -9.232 8.473 -11.760 1.00 0.00 H new ATOM 0 HA SER A 66 -10.013 6.681 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.637 8.324 -14.589 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.122 7.974 -15.398 1.00 0.00 H new ATOM 0 HG SER A 66 -9.891 5.662 -15.349 1.00 0.00 H new ATOM 983 N ALA A 67 -7.006 6.275 -12.969 1.00 0.00 N ATOM 984 CA ALA A 67 -5.906 5.307 -13.070 1.00 0.00 C ATOM 985 C ALA A 67 -6.278 3.980 -12.387 1.00 0.00 C ATOM 986 O ALA A 67 -6.198 3.852 -11.167 1.00 0.00 O ATOM 987 CB ALA A 67 -4.625 5.886 -12.469 1.00 0.00 C ATOM 0 H ALA A 67 -6.817 7.067 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.728 5.103 -14.126 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.821 5.155 -12.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.348 6.793 -13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.791 6.124 -11.418 1.00 0.00 H new ATOM 993 N ARG A 68 -6.702 3.007 -13.189 1.00 0.00 N ATOM 994 CA ARG A 68 -7.146 1.699 -12.684 1.00 0.00 C ATOM 995 C ARG A 68 -6.014 0.901 -11.999 1.00 0.00 C ATOM 996 O ARG A 68 -6.273 -0.060 -11.273 1.00 0.00 O ATOM 997 CB ARG A 68 -7.757 0.893 -13.843 1.00 0.00 C ATOM 998 CG ARG A 68 -9.129 1.408 -14.289 1.00 0.00 C ATOM 999 CD ARG A 68 -9.516 0.906 -15.681 1.00 0.00 C ATOM 1000 NE ARG A 68 -8.826 1.649 -16.740 1.00 0.00 N ATOM 1001 CZ ARG A 68 -8.554 1.174 -17.925 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -8.900 -0.030 -18.258 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -7.951 1.926 -18.791 1.00 0.00 N ATOM 0 H ARG A 68 -6.750 3.096 -14.204 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.897 1.877 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.074 0.919 -14.692 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.850 -0.150 -13.540 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.884 1.092 -13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.123 2.498 -14.288 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.275 -0.154 -15.765 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.594 1.000 -15.814 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.538 2.606 -16.536 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.393 -0.622 -17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.679 -0.385 -19.188 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.693 2.881 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.735 1.563 -19.719 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.762 1.298 -12.235 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.600 0.654 -11.602 1.00 0.00 C ATOM 1019 C VAL A 69 -2.588 1.696 -11.101 1.00 0.00 C ATOM 1020 O VAL A 69 -2.454 2.775 -11.681 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.882 -0.327 -12.571 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.786 -1.510 -12.923 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.423 0.399 -13.837 1.00 0.00 C ATOM 0 H VAL A 69 -4.522 2.066 -12.862 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.986 0.089 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.000 -0.716 -12.062 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.260 -2.181 -13.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.051 -2.049 -12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.693 -1.144 -13.405 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.923 -0.307 -14.500 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.288 0.825 -14.346 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.731 1.197 -13.568 1.00 0.00 H new ATOM 1033 N ILE A 70 -1.882 1.371 -10.017 1.00 0.00 N ATOM 1034 CA ILE A 70 -0.865 2.269 -9.450 1.00 0.00 C ATOM 1035 C ILE A 70 0.549 1.665 -9.542 1.00 0.00 C ATOM 1036 O ILE A 70 0.714 0.471 -9.795 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.171 2.611 -7.965 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.192 1.333 -7.107 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.497 3.366 -7.851 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.429 1.589 -5.631 1.00 0.00 C ATOM 0 H ILE A 70 -1.993 0.492 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.899 3.182 -10.045 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.378 3.257 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.971 0.669 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.243 0.810 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.695 3.597 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.439 4.292 -8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.303 2.747 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.430 0.641 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.636 2.227 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.391 2.083 -5.497 1.00 0.00 H new ATOM 1052 N ASN A 71 1.561 2.508 -9.324 1.00 0.00 N ATOM 1053 CA ASN A 71 2.971 2.086 -9.366 1.00 0.00 C ATOM 1054 C ASN A 71 3.609 2.136 -7.965 1.00 0.00 C ATOM 1055 O ASN A 71 3.006 2.651 -7.021 1.00 0.00 O ATOM 1056 CB ASN A 71 3.752 2.991 -10.323 1.00 0.00 C ATOM 1057 CG ASN A 71 3.686 4.451 -9.904 1.00 0.00 C ATOM 1058 OD1 ASN A 71 4.498 4.922 -9.120 1.00 0.00 O ATOM 1059 ND2 ASN A 71 2.713 5.176 -10.416 1.00 0.00 N ATOM 0 H ASN A 71 1.432 3.498 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 71 3.009 1.056 -9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.793 2.670 -10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.352 2.884 -11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.621 6.159 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.051 4.754 -11.068 1.00 0.00 H new ATOM 1066 N TYR A 72 4.836 1.624 -7.842 1.00 0.00 N ATOM 1067 CA TYR A 72 5.538 1.583 -6.548 1.00 0.00 C ATOM 1068 C TYR A 72 5.779 2.990 -5.968 1.00 0.00 C ATOM 1069 O TYR A 72 5.590 3.215 -4.771 1.00 0.00 O ATOM 1070 CB TYR A 72 6.875 0.835 -6.686 1.00 0.00 C ATOM 1071 CG TYR A 72 7.767 0.942 -5.456 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.436 0.296 -4.267 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.933 1.702 -5.483 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.239 0.411 -3.146 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.741 1.816 -4.368 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.392 1.172 -3.202 1.00 0.00 C ATOM 1077 OH TYR A 72 10.192 1.302 -2.084 1.00 0.00 O ATOM 0 H TYR A 72 5.367 1.231 -8.619 1.00 0.00 H new ATOM 0 HA TYR A 72 4.892 1.048 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.673 -0.217 -6.887 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.413 1.227 -7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.539 -0.304 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.211 2.212 -6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.966 -0.092 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.643 2.408 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 72 10.573 0.430 -1.851 1.00 0.00 H new ATOM 1087 N GLU A 73 6.193 3.930 -6.816 1.00 0.00 N ATOM 1088 CA GLU A 73 6.509 5.299 -6.377 1.00 0.00 C ATOM 1089 C GLU A 73 5.324 5.951 -5.636 1.00 0.00 C ATOM 1090 O GLU A 73 5.464 6.395 -4.492 1.00 0.00 O ATOM 1091 CB GLU A 73 6.930 6.162 -7.580 1.00 0.00 C ATOM 1092 CG GLU A 73 8.329 5.853 -8.128 1.00 0.00 C ATOM 1093 CD GLU A 73 8.540 4.386 -8.493 1.00 0.00 C ATOM 1094 OE1 GLU A 73 7.792 3.857 -9.344 1.00 0.00 O ATOM 1095 OE2 GLU A 73 9.459 3.752 -7.930 1.00 0.00 O ATOM 0 H GLU A 73 6.320 3.773 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 73 7.340 5.236 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.202 6.026 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.892 7.212 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.506 6.466 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.072 6.143 -7.385 1.00 0.00 H new ATOM 1102 N GLU A 74 4.159 5.999 -6.280 1.00 0.00 N ATOM 1103 CA GLU A 74 2.952 6.544 -5.640 1.00 0.00 C ATOM 1104 C GLU A 74 2.441 5.625 -4.514 1.00 0.00 C ATOM 1105 O GLU A 74 1.860 6.096 -3.534 1.00 0.00 O ATOM 1106 CB GLU A 74 1.846 6.793 -6.678 1.00 0.00 C ATOM 1107 CG GLU A 74 1.960 8.133 -7.410 1.00 0.00 C ATOM 1108 CD GLU A 74 3.215 8.267 -8.266 1.00 0.00 C ATOM 1109 OE1 GLU A 74 4.253 8.740 -7.750 1.00 0.00 O ATOM 1110 OE2 GLU A 74 3.159 7.925 -9.466 1.00 0.00 O ATOM 0 H GLU A 74 4.020 5.672 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 74 3.225 7.498 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.865 5.988 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.878 6.746 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.084 8.264 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.945 8.939 -6.676 1.00 0.00 H new ATOM 1117 N PHE A 75 2.666 4.318 -4.658 1.00 0.00 N ATOM 1118 CA PHE A 75 2.329 3.339 -3.614 1.00 0.00 C ATOM 1119 C PHE A 75 2.990 3.710 -2.275 1.00 0.00 C ATOM 1120 O PHE A 75 2.392 3.561 -1.208 1.00 0.00 O ATOM 1121 CB PHE A 75 2.775 1.939 -4.064 1.00 0.00 C ATOM 1122 CG PHE A 75 2.614 0.857 -3.024 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.362 0.349 -2.717 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.722 0.339 -2.366 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.218 -0.650 -1.774 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.580 -0.659 -1.424 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.328 -1.155 -1.127 1.00 0.00 C ATOM 0 H PHE A 75 3.083 3.907 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 75 1.250 3.344 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.205 1.659 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.823 1.985 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.489 0.738 -3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.706 0.722 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.236 -1.036 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.450 -1.052 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.216 -1.937 -0.390 1.00 0.00 H new ATOM 1137 N LYS A 76 4.226 4.199 -2.349 1.00 0.00 N ATOM 1138 CA LYS A 76 4.948 4.687 -1.167 1.00 0.00 C ATOM 1139 C LYS A 76 4.143 5.780 -0.442 1.00 0.00 C ATOM 1140 O LYS A 76 3.962 5.730 0.776 1.00 0.00 O ATOM 1141 CB LYS A 76 6.318 5.230 -1.595 1.00 0.00 C ATOM 1142 CG LYS A 76 7.177 4.196 -2.318 1.00 0.00 C ATOM 1143 CD LYS A 76 8.347 4.821 -3.082 1.00 0.00 C ATOM 1144 CE LYS A 76 9.432 5.370 -2.163 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.021 6.624 -1.478 1.00 0.00 N ATOM 0 H LYS A 76 4.754 4.270 -3.219 1.00 0.00 H new ATOM 0 HA LYS A 76 5.086 3.858 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.172 6.091 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.852 5.584 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.564 3.482 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.553 3.636 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.783 4.073 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.972 5.626 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.684 4.618 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.335 5.557 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.820 7.290 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.222 7.052 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.734 6.408 -0.502 1.00 0.00 H new ATOM 1159 N LYS A 77 3.644 6.752 -1.207 1.00 0.00 N ATOM 1160 CA LYS A 77 2.830 7.843 -0.652 1.00 0.00 C ATOM 1161 C LYS A 77 1.478 7.329 -0.135 1.00 0.00 C ATOM 1162 O LYS A 77 0.949 7.834 0.857 1.00 0.00 O ATOM 1163 CB LYS A 77 2.615 8.957 -1.698 1.00 0.00 C ATOM 1164 CG LYS A 77 3.810 9.899 -1.862 1.00 0.00 C ATOM 1165 CD LYS A 77 5.066 9.176 -2.344 1.00 0.00 C ATOM 1166 CE LYS A 77 6.292 10.084 -2.305 1.00 0.00 C ATOM 1167 NZ LYS A 77 6.563 10.595 -0.935 1.00 0.00 N ATOM 0 H LYS A 77 3.788 6.809 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 77 3.378 8.260 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.393 8.498 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.740 9.543 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.553 10.686 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.018 10.385 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.243 8.299 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.911 8.818 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.162 9.535 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.142 10.925 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.585 10.560 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.230 11.577 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.063 10.005 -0.239 1.00 0.00 H new ATOM 1181 N ALA A 78 0.925 6.322 -0.807 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.318 5.690 -0.361 1.00 0.00 C ATOM 1183 C ALA A 78 -0.148 5.053 1.026 1.00 0.00 C ATOM 1184 O ALA A 78 -1.040 5.125 1.874 1.00 0.00 O ATOM 1185 CB ALA A 78 -0.770 4.652 -1.378 1.00 0.00 C ATOM 0 H ALA A 78 1.316 5.925 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.085 6.460 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.695 4.188 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.939 5.135 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.001 3.889 -1.486 1.00 0.00 H new ATOM 1191 N LEU A 79 1.011 4.431 1.249 1.00 0.00 N ATOM 1192 CA LEU A 79 1.342 3.862 2.559 1.00 0.00 C ATOM 1193 C LEU A 79 1.511 4.956 3.617 1.00 0.00 C ATOM 1194 O LEU A 79 1.071 4.795 4.751 1.00 0.00 O ATOM 1195 CB LEU A 79 2.617 3.019 2.485 1.00 0.00 C ATOM 1196 CG LEU A 79 2.519 1.745 1.632 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.826 0.965 1.692 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.346 0.874 2.083 1.00 0.00 C ATOM 0 H LEU A 79 1.736 4.308 0.542 1.00 0.00 H new ATOM 0 HA LEU A 79 0.509 3.222 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.420 3.640 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.904 2.736 3.498 1.00 0.00 H new ATOM 0 HG LEU A 79 2.339 2.039 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.741 0.065 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.638 1.585 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.036 0.686 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.298 -0.022 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.485 0.587 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.417 1.435 1.982 1.00 0.00 H new ATOM 1210 N GLU A 80 2.161 6.061 3.242 1.00 0.00 N ATOM 1211 CA GLU A 80 2.324 7.214 4.143 1.00 0.00 C ATOM 1212 C GLU A 80 0.974 7.661 4.731 1.00 0.00 C ATOM 1213 O GLU A 80 0.860 7.924 5.932 1.00 0.00 O ATOM 1214 CB GLU A 80 2.976 8.389 3.398 1.00 0.00 C ATOM 1215 CG GLU A 80 4.409 8.121 2.941 1.00 0.00 C ATOM 1216 CD GLU A 80 5.009 9.283 2.159 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.968 10.428 2.659 1.00 0.00 O ATOM 1218 OE2 GLU A 80 5.537 9.064 1.049 1.00 0.00 O ATOM 0 H GLU A 80 2.584 6.185 2.322 1.00 0.00 H new ATOM 0 HA GLU A 80 2.971 6.902 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.368 8.635 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.971 9.264 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.031 7.917 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.426 7.225 2.321 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.043 7.740 3.871 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.403 8.103 4.290 1.00 0.00 C ATOM 1227 C GLU A 81 -1.945 7.078 5.306 1.00 0.00 C ATOM 1228 O GLU A 81 -2.118 7.397 6.481 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.324 8.182 3.047 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.358 9.312 3.072 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.397 9.176 4.176 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -5.220 8.239 4.112 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.414 10.023 5.093 1.00 0.00 O ATOM 0 H GLU A 81 0.049 7.556 2.872 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.380 9.079 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.701 8.301 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.849 7.233 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.839 10.263 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.868 9.345 2.109 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.162 5.836 4.857 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.672 4.763 5.736 1.00 0.00 C ATOM 1242 C LEU A 82 -1.836 4.613 7.022 1.00 0.00 C ATOM 1243 O LEU A 82 -2.358 4.241 8.075 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.702 3.427 4.984 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.773 3.309 3.889 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.668 1.966 3.172 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -5.169 3.493 4.483 1.00 0.00 C ATOM 0 H LEU A 82 -1.995 5.544 3.894 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.683 5.046 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.724 3.263 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.857 2.626 5.707 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.602 4.099 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.436 1.904 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.684 1.875 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.809 1.158 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.915 3.406 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.348 2.726 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.241 4.478 4.944 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.542 4.900 6.925 1.00 0.00 N ATOM 1260 CA ALA A 83 0.358 4.844 8.079 1.00 0.00 C ATOM 1261 C ALA A 83 -0.051 5.863 9.148 1.00 0.00 C ATOM 1262 O ALA A 83 -0.226 5.518 10.318 1.00 0.00 O ATOM 1263 CB ALA A 83 1.792 5.097 7.636 1.00 0.00 C ATOM 0 H ALA A 83 -0.088 5.176 6.054 1.00 0.00 H new ATOM 0 HA ALA A 83 0.288 3.848 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.453 5.053 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.089 4.337 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.862 6.082 7.175 1.00 0.00 H new ATOM 1269 N THR A 84 -0.213 7.116 8.728 1.00 0.00 N ATOM 1270 CA THR A 84 -0.630 8.196 9.635 1.00 0.00 C ATOM 1271 C THR A 84 -2.025 7.928 10.214 1.00 0.00 C ATOM 1272 O THR A 84 -2.323 8.309 11.345 1.00 0.00 O ATOM 1273 CB THR A 84 -0.629 9.572 8.926 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.563 9.582 7.840 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.765 9.920 8.412 1.00 0.00 C ATOM 0 H THR A 84 -0.063 7.414 7.764 1.00 0.00 H new ATOM 0 HA THR A 84 0.097 8.219 10.446 1.00 0.00 H new ATOM 0 HB THR A 84 -0.928 10.323 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.804 8.661 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.739 10.891 7.918 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.463 9.957 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.091 9.160 7.702 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.872 7.258 9.433 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.217 6.872 9.885 1.00 0.00 C ATOM 1285 C LYS A 85 -4.151 5.927 11.094 1.00 0.00 C ATOM 1286 O LYS A 85 -5.060 5.901 11.926 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.986 6.192 8.737 1.00 0.00 C ATOM 1288 CG LYS A 85 -4.970 6.994 7.441 1.00 0.00 C ATOM 1289 CD LYS A 85 -5.799 8.275 7.531 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.234 8.044 7.081 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.291 7.526 5.687 1.00 0.00 N ATOM 0 H LYS A 85 -2.653 6.968 8.480 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.740 7.779 10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.554 5.208 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.019 6.034 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.941 7.249 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.353 6.374 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.793 8.642 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.343 9.049 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.718 7.336 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.792 8.978 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.081 7.976 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.399 7.743 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.434 6.496 5.705 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.073 5.144 11.181 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.887 4.204 12.293 1.00 0.00 C ATOM 1307 C ARG A 86 -2.012 4.800 13.408 1.00 0.00 C ATOM 1308 O ARG A 86 -2.463 5.006 14.537 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.227 2.912 11.790 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.906 2.282 10.580 1.00 0.00 C ATOM 1311 CD ARG A 86 -2.357 0.886 10.306 1.00 0.00 C ATOM 1312 NE ARG A 86 -2.607 -0.013 11.432 1.00 0.00 N ATOM 1313 CZ ARG A 86 -2.257 -1.268 11.472 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -1.589 -1.802 10.501 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -2.575 -1.984 12.495 1.00 0.00 N ATOM 0 H ARG A 86 -2.316 5.141 10.497 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.875 3.993 12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.188 3.125 11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.215 2.186 12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.981 2.226 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.755 2.914 9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.819 0.481 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.285 0.945 10.116 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.090 0.370 12.245 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.329 -1.240 9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.322 -2.785 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.097 -1.568 13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.305 -2.967 12.534 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.754 5.079 13.072 1.00 0.00 N ATOM 1330 CA PHE A 87 0.265 5.464 14.060 1.00 0.00 C ATOM 1331 C PHE A 87 0.236 6.972 14.376 1.00 0.00 C ATOM 1332 O PHE A 87 1.286 7.619 14.452 1.00 0.00 O ATOM 1333 CB PHE A 87 1.653 5.050 13.539 1.00 0.00 C ATOM 1334 CG PHE A 87 1.729 3.590 13.150 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.902 2.607 14.117 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.616 3.201 11.821 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.960 1.270 13.766 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.676 1.865 11.467 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.847 0.900 12.440 1.00 0.00 C ATOM 0 H PHE A 87 -0.408 5.046 12.113 1.00 0.00 H new ATOM 0 HA PHE A 87 0.045 4.945 14.993 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.908 5.664 12.675 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.399 5.255 14.307 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.992 2.890 15.155 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.480 3.950 11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.093 0.516 14.528 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.589 1.577 10.430 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.892 -0.143 12.164 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.971 7.508 14.604 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.168 8.933 14.925 1.00 0.00 C ATOM 1351 C LYS A 88 -0.904 9.835 13.703 1.00 0.00 C ATOM 1352 O LYS A 88 0.222 9.922 13.207 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.279 9.354 16.109 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.617 8.644 17.422 1.00 0.00 C ATOM 1355 CD LYS A 88 0.461 8.850 18.491 1.00 0.00 C ATOM 1356 CE LYS A 88 1.672 7.939 18.281 1.00 0.00 C ATOM 1357 NZ LYS A 88 2.377 8.198 16.998 1.00 0.00 N ATOM 0 H LYS A 88 -1.837 6.970 14.572 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.212 9.061 15.210 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.763 9.155 15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.371 10.430 16.255 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.572 9.013 17.797 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.740 7.577 17.234 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.786 9.890 18.480 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.033 8.660 19.476 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.370 8.075 19.107 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.347 6.899 18.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.360 7.865 17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.895 7.692 16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.370 9.219 16.798 1.00 0.00 H new ATOM 1371 N GLY A 89 -1.958 10.505 13.231 1.00 0.00 N ATOM 1372 CA GLY A 89 -1.854 11.369 12.058 1.00 0.00 C ATOM 1373 C GLY A 89 -0.961 12.588 12.274 1.00 0.00 C ATOM 1374 O GLY A 89 -1.456 13.693 12.501 1.00 0.00 O ATOM 0 H GLY A 89 -2.890 10.465 13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.465 10.788 11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.852 11.705 11.775 1.00 0.00 H new ATOM 1378 N LYS A 90 0.355 12.381 12.206 1.00 0.00 N ATOM 1379 CA LYS A 90 1.328 13.465 12.384 1.00 0.00 C ATOM 1380 C LYS A 90 2.702 13.113 11.779 1.00 0.00 C ATOM 1381 O LYS A 90 3.049 13.578 10.690 1.00 0.00 O ATOM 1382 CB LYS A 90 1.481 13.802 13.878 1.00 0.00 C ATOM 1383 CG LYS A 90 2.622 14.774 14.184 1.00 0.00 C ATOM 1384 CD LYS A 90 2.762 15.037 15.682 1.00 0.00 C ATOM 1385 CE LYS A 90 4.046 15.798 16.005 1.00 0.00 C ATOM 1386 NZ LYS A 90 5.262 15.029 15.609 1.00 0.00 N ATOM 0 H LYS A 90 0.775 11.469 12.028 1.00 0.00 H new ATOM 0 HA LYS A 90 0.947 14.336 11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.546 14.230 14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.646 12.878 14.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.557 14.369 13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.445 15.716 13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.903 15.608 16.033 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.756 14.089 16.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.039 16.758 15.488 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.083 16.011 17.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.921 14.984 16.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.988 14.065 15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.725 15.501 14.807 1.00 0.00 H new ATOM 1400 N SER A 91 3.470 12.280 12.486 1.00 0.00 N ATOM 1401 CA SER A 91 4.858 11.993 12.120 1.00 0.00 C ATOM 1402 C SER A 91 4.966 11.051 10.911 1.00 0.00 C ATOM 1403 O SER A 91 4.692 9.854 11.017 1.00 0.00 O ATOM 1404 CB SER A 91 5.580 11.380 13.323 1.00 0.00 C ATOM 1405 OG SER A 91 5.540 12.244 14.451 1.00 0.00 O ATOM 0 H SER A 91 3.150 11.790 13.321 1.00 0.00 H new ATOM 0 HA SER A 91 5.326 12.935 11.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.119 10.426 13.578 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.617 11.172 13.059 1.00 0.00 H new ATOM 0 HG SER A 91 6.008 11.823 15.202 1.00 0.00 H new ATOM 1411 N LYS A 92 5.382 11.605 9.770 1.00 0.00 N ATOM 1412 CA LYS A 92 5.579 10.825 8.540 1.00 0.00 C ATOM 1413 C LYS A 92 6.632 9.722 8.727 1.00 0.00 C ATOM 1414 O LYS A 92 6.425 8.578 8.325 1.00 0.00 O ATOM 1415 CB LYS A 92 6.019 11.749 7.389 1.00 0.00 C ATOM 1416 CG LYS A 92 6.318 11.011 6.082 1.00 0.00 C ATOM 1417 CD LYS A 92 7.161 11.854 5.121 1.00 0.00 C ATOM 1418 CE LYS A 92 6.429 13.107 4.644 1.00 0.00 C ATOM 1419 NZ LYS A 92 5.244 12.778 3.808 1.00 0.00 N ATOM 0 H LYS A 92 5.591 12.598 9.670 1.00 0.00 H new ATOM 0 HA LYS A 92 4.626 10.355 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.236 12.486 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.909 12.298 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.843 10.082 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.380 10.740 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.088 12.145 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.437 11.248 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.112 13.692 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.115 13.731 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.970 13.612 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.479 11.994 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.453 12.498 4.422 1.00 0.00 H new ATOM 1433 N GLU A 93 7.753 10.081 9.346 1.00 0.00 N ATOM 1434 CA GLU A 93 8.892 9.165 9.502 1.00 0.00 C ATOM 1435 C GLU A 93 8.495 7.922 10.310 1.00 0.00 C ATOM 1436 O GLU A 93 8.607 6.790 9.839 1.00 0.00 O ATOM 1437 CB GLU A 93 10.073 9.878 10.192 1.00 0.00 C ATOM 1438 CG GLU A 93 10.559 11.148 9.484 1.00 0.00 C ATOM 1439 CD GLU A 93 9.571 12.306 9.569 1.00 0.00 C ATOM 1440 OE1 GLU A 93 8.934 12.474 10.630 1.00 0.00 O ATOM 1441 OE2 GLU A 93 9.423 13.053 8.578 1.00 0.00 O ATOM 0 H GLU A 93 7.903 11.005 9.752 1.00 0.00 H new ATOM 0 HA GLU A 93 9.200 8.849 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.779 10.136 11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.906 9.180 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.508 11.458 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.750 10.920 8.435 1.00 0.00 H new ATOM 1448 N GLU A 94 8.012 8.156 11.528 1.00 0.00 N ATOM 1449 CA GLU A 94 7.568 7.080 12.421 1.00 0.00 C ATOM 1450 C GLU A 94 6.495 6.199 11.762 1.00 0.00 C ATOM 1451 O GLU A 94 6.619 4.971 11.716 1.00 0.00 O ATOM 1452 CB GLU A 94 7.023 7.685 13.721 1.00 0.00 C ATOM 1453 CG GLU A 94 6.376 6.674 14.660 1.00 0.00 C ATOM 1454 CD GLU A 94 5.828 7.323 15.917 1.00 0.00 C ATOM 1455 OE1 GLU A 94 4.702 7.862 15.869 1.00 0.00 O ATOM 1456 OE2 GLU A 94 6.522 7.311 16.956 1.00 0.00 O ATOM 0 H GLU A 94 7.916 9.091 11.925 1.00 0.00 H new ATOM 0 HA GLU A 94 8.427 6.445 12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.839 8.182 14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.290 8.453 13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.569 6.161 14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.110 5.916 14.935 1.00 0.00 H new ATOM 1463 N ALA A 95 5.448 6.836 11.246 1.00 0.00 N ATOM 1464 CA ALA A 95 4.334 6.119 10.622 1.00 0.00 C ATOM 1465 C ALA A 95 4.796 5.262 9.429 1.00 0.00 C ATOM 1466 O ALA A 95 4.405 4.099 9.301 1.00 0.00 O ATOM 1467 CB ALA A 95 3.263 7.111 10.184 1.00 0.00 C ATOM 0 H ALA A 95 5.345 7.851 11.246 1.00 0.00 H new ATOM 0 HA ALA A 95 3.916 5.438 11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.436 6.573 9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.898 7.659 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.688 7.812 9.465 1.00 0.00 H new ATOM 1473 N PHE A 96 5.635 5.839 8.567 1.00 0.00 N ATOM 1474 CA PHE A 96 6.120 5.140 7.372 1.00 0.00 C ATOM 1475 C PHE A 96 7.004 3.936 7.742 1.00 0.00 C ATOM 1476 O PHE A 96 6.822 2.840 7.210 1.00 0.00 O ATOM 1477 CB PHE A 96 6.891 6.106 6.463 1.00 0.00 C ATOM 1478 CG PHE A 96 7.297 5.505 5.135 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.359 5.316 4.130 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.613 5.129 4.894 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.722 4.766 2.914 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.981 4.579 3.680 1.00 0.00 C ATOM 1483 CZ PHE A 96 8.035 4.397 2.689 1.00 0.00 C ATOM 0 H PHE A 96 5.994 6.788 8.673 1.00 0.00 H new ATOM 0 HA PHE A 96 5.251 4.763 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.275 6.986 6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.785 6.446 6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.332 5.602 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.357 5.268 5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.981 4.625 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.007 4.292 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.321 3.967 1.740 1.00 0.00 H new ATOM 1493 N ASP A 97 7.965 4.147 8.645 1.00 0.00 N ATOM 1494 CA ASP A 97 8.834 3.061 9.123 1.00 0.00 C ATOM 1495 C ASP A 97 8.019 1.891 9.694 1.00 0.00 C ATOM 1496 O ASP A 97 8.266 0.728 9.367 1.00 0.00 O ATOM 1497 CB ASP A 97 9.816 3.583 10.182 1.00 0.00 C ATOM 1498 CG ASP A 97 11.004 4.304 9.569 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.805 5.103 8.632 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.152 4.050 10.000 1.00 0.00 O ATOM 0 H ASP A 97 8.163 5.057 9.061 1.00 0.00 H new ATOM 0 HA ASP A 97 9.396 2.692 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.292 4.261 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.173 2.748 10.784 1.00 0.00 H new ATOM 1505 N ALA A 98 7.045 2.204 10.546 1.00 0.00 N ATOM 1506 CA ALA A 98 6.196 1.177 11.160 1.00 0.00 C ATOM 1507 C ALA A 98 5.356 0.408 10.118 1.00 0.00 C ATOM 1508 O ALA A 98 5.369 -0.825 10.086 1.00 0.00 O ATOM 1509 CB ALA A 98 5.292 1.806 12.215 1.00 0.00 C ATOM 0 H ALA A 98 6.822 3.158 10.829 1.00 0.00 H new ATOM 0 HA ALA A 98 6.856 0.451 11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.666 1.035 12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.904 2.272 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.659 2.561 11.749 1.00 0.00 H new ATOM 1515 N ILE A 99 4.636 1.131 9.256 1.00 0.00 N ATOM 1516 CA ILE A 99 3.774 0.485 8.254 1.00 0.00 C ATOM 1517 C ILE A 99 4.600 -0.352 7.258 1.00 0.00 C ATOM 1518 O ILE A 99 4.150 -1.399 6.787 1.00 0.00 O ATOM 1519 CB ILE A 99 2.899 1.516 7.490 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.773 0.798 6.719 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.750 2.360 6.537 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.771 1.738 6.078 1.00 0.00 C ATOM 0 H ILE A 99 4.630 2.151 9.228 1.00 0.00 H new ATOM 0 HA ILE A 99 3.107 -0.183 8.800 1.00 0.00 H new ATOM 0 HB ILE A 99 2.448 2.187 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.218 0.173 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.246 0.132 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.112 3.073 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.508 2.899 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.237 1.709 5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.011 1.158 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.297 2.345 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.284 2.388 5.369 1.00 0.00 H new ATOM 1534 N CYS A 100 5.814 0.108 6.945 1.00 0.00 N ATOM 1535 CA CYS A 100 6.740 -0.671 6.113 1.00 0.00 C ATOM 1536 C CYS A 100 7.227 -1.914 6.867 1.00 0.00 C ATOM 1537 O CYS A 100 7.394 -2.980 6.282 1.00 0.00 O ATOM 1538 CB CYS A 100 7.941 0.181 5.677 1.00 0.00 C ATOM 1539 SG CYS A 100 7.516 1.557 4.582 1.00 0.00 S ATOM 0 H CYS A 100 6.179 1.010 7.252 1.00 0.00 H new ATOM 0 HA CYS A 100 6.200 -0.987 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.433 0.577 6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.663 -0.461 5.172 1.00 0.00 H new ATOM 0 HG CYS A 100 7.082 2.557 5.290 1.00 0.00 H new ATOM 1545 N GLN A 101 7.441 -1.767 8.175 1.00 0.00 N ATOM 1546 CA GLN A 101 7.843 -2.888 9.035 1.00 0.00 C ATOM 1547 C GLN A 101 6.788 -4.015 8.993 1.00 0.00 C ATOM 1548 O GLN A 101 7.101 -5.191 9.191 1.00 0.00 O ATOM 1549 CB GLN A 101 8.037 -2.378 10.475 1.00 0.00 C ATOM 1550 CG GLN A 101 8.710 -3.375 11.410 1.00 0.00 C ATOM 1551 CD GLN A 101 8.919 -2.830 12.819 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.005 -2.002 13.287 1.00 0.00 O flip ATOM 1553 NE2 GLN A 101 9.884 -3.173 13.493 1.00 0.00 N flip ATOM 0 H GLN A 101 7.343 -0.879 8.667 1.00 0.00 H new ATOM 0 HA GLN A 101 8.784 -3.301 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.632 -1.465 10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.064 -2.111 10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.104 -4.279 11.463 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.675 -3.662 10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.575 -3.815 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.996 -2.817 14.442 1.00 0.00 H new ATOM 1562 N LEU A 102 5.538 -3.628 8.742 1.00 0.00 N ATOM 1563 CA LEU A 102 4.428 -4.579 8.571 1.00 0.00 C ATOM 1564 C LEU A 102 4.416 -5.199 7.161 1.00 0.00 C ATOM 1565 O LEU A 102 4.494 -6.421 7.005 1.00 0.00 O ATOM 1566 CB LEU A 102 3.097 -3.858 8.835 1.00 0.00 C ATOM 1567 CG LEU A 102 3.009 -3.106 10.172 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.693 -2.340 10.273 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.166 -4.067 11.349 1.00 0.00 C ATOM 0 H LEU A 102 5.261 -2.650 8.651 1.00 0.00 H new ATOM 0 HA LEU A 102 4.564 -5.391 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.921 -3.149 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.292 -4.592 8.797 1.00 0.00 H new ATOM 0 HG LEU A 102 3.828 -2.387 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.650 -1.814 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.628 -1.619 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.859 -3.039 10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.100 -3.511 12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.374 -4.816 11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.136 -4.561 11.288 1.00 0.00 H new ATOM 1581 N VAL A 103 4.327 -4.349 6.139 1.00 0.00 N ATOM 1582 CA VAL A 103 4.158 -4.810 4.752 1.00 0.00 C ATOM 1583 C VAL A 103 5.474 -5.293 4.109 1.00 0.00 C ATOM 1584 O VAL A 103 5.538 -6.396 3.560 1.00 0.00 O ATOM 1585 CB VAL A 103 3.540 -3.692 3.869 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.321 -4.184 2.437 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.230 -3.183 4.481 1.00 0.00 C ATOM 0 H VAL A 103 4.369 -3.335 6.241 1.00 0.00 H new ATOM 0 HA VAL A 103 3.482 -5.664 4.803 1.00 0.00 H new ATOM 0 HB VAL A 103 4.243 -2.860 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.887 -3.382 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.276 -4.483 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.643 -5.038 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.813 -2.400 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.520 -4.006 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.425 -2.780 5.475 1.00 0.00 H new ATOM 1597 N ALA A 104 6.521 -4.472 4.183 1.00 0.00 N ATOM 1598 CA ALA A 104 7.782 -4.734 3.469 1.00 0.00 C ATOM 1599 C ALA A 104 8.435 -6.067 3.876 1.00 0.00 C ATOM 1600 O ALA A 104 8.798 -6.270 5.035 1.00 0.00 O ATOM 1601 CB ALA A 104 8.760 -3.587 3.690 1.00 0.00 C ATOM 0 H ALA A 104 6.526 -3.613 4.733 1.00 0.00 H new ATOM 0 HA ALA A 104 7.534 -4.811 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.688 -3.793 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.325 -2.660 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.968 -3.486 4.755 1.00 0.00 H new ATOM 1607 N GLY A 105 8.597 -6.965 2.902 1.00 0.00 N ATOM 1608 CA GLY A 105 9.222 -8.262 3.154 1.00 0.00 C ATOM 1609 C GLY A 105 8.224 -9.379 3.464 1.00 0.00 C ATOM 1610 O GLY A 105 8.570 -10.562 3.399 1.00 0.00 O ATOM 0 H GLY A 105 8.305 -6.818 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.812 -8.546 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.915 -8.165 3.990 1.00 0.00 H new ATOM 1614 N LYS A 106 6.986 -9.014 3.800 1.00 0.00 N ATOM 1615 CA LYS A 106 5.962 -10.004 4.157 1.00 0.00 C ATOM 1616 C LYS A 106 5.436 -10.765 2.927 1.00 0.00 C ATOM 1617 O LYS A 106 5.369 -11.993 2.935 1.00 0.00 O ATOM 1618 CB LYS A 106 4.787 -9.327 4.881 1.00 0.00 C ATOM 1619 CG LYS A 106 3.741 -10.314 5.399 1.00 0.00 C ATOM 1620 CD LYS A 106 2.514 -9.612 5.973 1.00 0.00 C ATOM 1621 CE LYS A 106 1.504 -10.610 6.540 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.014 -11.572 5.511 1.00 0.00 N ATOM 0 H LYS A 106 6.666 -8.046 3.833 1.00 0.00 H new ATOM 0 HA LYS A 106 6.437 -10.725 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.173 -8.746 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.307 -8.625 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.433 -10.972 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.189 -10.944 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.824 -8.922 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.038 -9.016 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.964 -11.162 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.656 -10.067 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.271 -12.172 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.626 -11.047 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.803 -12.169 5.191 1.00 0.00 H new ATOM 1636 N GLU A 107 5.073 -10.007 1.886 1.00 0.00 N ATOM 1637 CA GLU A 107 4.427 -10.529 0.657 1.00 0.00 C ATOM 1638 C GLU A 107 3.142 -11.352 0.966 1.00 0.00 C ATOM 1639 O GLU A 107 2.932 -11.789 2.099 1.00 0.00 O ATOM 1640 CB GLU A 107 5.421 -11.334 -0.225 1.00 0.00 C ATOM 1641 CG GLU A 107 5.683 -12.775 0.208 1.00 0.00 C ATOM 1642 CD GLU A 107 6.492 -13.556 -0.820 1.00 0.00 C ATOM 1643 OE1 GLU A 107 7.690 -13.243 -1.010 1.00 0.00 O ATOM 1644 OE2 GLU A 107 5.934 -14.484 -1.448 1.00 0.00 O ATOM 0 H GLU A 107 5.218 -8.998 1.865 1.00 0.00 H new ATOM 0 HA GLU A 107 4.114 -9.658 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.042 -11.346 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.372 -10.802 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.215 -12.774 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.731 -13.279 0.376 1.00 0.00 H new ATOM 1651 N PRO A 108 2.249 -11.556 -0.037 1.00 0.00 N ATOM 1652 CA PRO A 108 0.964 -12.256 0.176 1.00 0.00 C ATOM 1653 C PRO A 108 1.112 -13.618 0.877 1.00 0.00 C ATOM 1654 O PRO A 108 1.763 -14.532 0.356 1.00 0.00 O ATOM 1655 CB PRO A 108 0.422 -12.450 -1.245 1.00 0.00 C ATOM 1656 CG PRO A 108 1.051 -11.361 -2.046 1.00 0.00 C ATOM 1657 CD PRO A 108 2.413 -11.131 -1.442 1.00 0.00 C ATOM 0 HA PRO A 108 0.311 -11.681 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.685 -13.432 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.665 -12.379 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.133 -11.646 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.450 -10.453 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.180 -11.715 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.711 -10.085 -1.512 1.00 0.00 H new ATOM 1665 N ALA A 109 0.503 -13.748 2.055 1.00 0.00 N ATOM 1666 CA ALA A 109 0.557 -14.994 2.822 1.00 0.00 C ATOM 1667 C ALA A 109 -0.164 -16.145 2.101 1.00 0.00 C ATOM 1668 O ALA A 109 -1.382 -16.294 2.193 1.00 0.00 O ATOM 1669 CB ALA A 109 -0.036 -14.789 4.208 1.00 0.00 C ATOM 0 H ALA A 109 -0.035 -13.005 2.501 1.00 0.00 H new ATOM 0 HA ALA A 109 1.607 -15.272 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.011 -15.724 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.530 -14.022 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.075 -14.474 4.116 1.00 0.00 H new