USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 850 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 Single : A 9 TYR OH : rot 180:sc= -1.08! USER MOD Single : A 11 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.089) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.18) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.786 F(o=-1.6,f=-0.79) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -2.27! (180deg=-4.05!) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.976 (180deg=0.869) USER MOD Single : A 31 LYS NZ :NH3+ -136:sc= -0.696 (180deg=-3.11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 0.97 (180deg=0.451) USER MOD Single : B 9 TYR OH : rot 172:sc= 0.241 USER MOD Single : B 11 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : B 15 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.864) USER MOD Single : B 18 GLN :FLIP amide:sc= -0.524 F(o=-2.2,f=-0.52) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 MET CE :methyl -139:sc= -0.17 (180deg=-0.867) USER MOD Single : B 60 SER OG : rot 43:sc=-0.00221 USER MOD Single : B 61 SER OG : rot 180:sc= 0 USER MOD Single : B 64 HIS : no HD1:sc= -0.0868 X(o=-0.087,f=-0.34) USER MOD Single : B 65 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 69 HIS : no HE2:sc= 0.386 K(o=0.39,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 56 N ILE A 4 -6.988 2.457 2.566 1.00 0.00 N ATOM 57 CA ILE A 4 -6.499 1.205 2.074 1.00 0.00 C ATOM 58 C ILE A 4 -7.240 0.872 0.791 1.00 0.00 C ATOM 59 O ILE A 4 -8.427 1.184 0.649 1.00 0.00 O ATOM 60 CB ILE A 4 -6.694 0.068 3.094 1.00 0.00 C ATOM 61 CG1 ILE A 4 -8.183 -0.269 3.276 1.00 0.00 C ATOM 62 CG2 ILE A 4 -6.043 0.425 4.430 1.00 0.00 C ATOM 63 CD1 ILE A 4 -8.967 0.689 4.153 1.00 0.00 C ATOM 0 HA ILE A 4 -5.428 1.298 1.893 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.202 -0.823 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.653 -0.302 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.262 -1.270 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.192 -0.391 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.975 0.587 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.497 1.334 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.004 0.360 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.532 0.707 5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.929 1.690 3.723 1.00 0.00 H new ATOM 75 N ILE A 5 -6.553 0.274 -0.148 1.00 0.00 N ATOM 76 CA ILE A 5 -7.177 -0.083 -1.397 1.00 0.00 C ATOM 77 C ILE A 5 -7.844 -1.437 -1.257 1.00 0.00 C ATOM 78 O ILE A 5 -7.420 -2.268 -0.461 1.00 0.00 O ATOM 79 CB ILE A 5 -6.157 -0.117 -2.541 1.00 0.00 C ATOM 80 CG1 ILE A 5 -5.305 1.157 -2.512 1.00 0.00 C ATOM 81 CG2 ILE A 5 -6.856 -0.273 -3.885 1.00 0.00 C ATOM 82 CD1 ILE A 5 -4.251 1.207 -3.590 1.00 0.00 C ATOM 0 H ILE A 5 -5.567 0.025 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.923 0.674 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.504 -0.979 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.959 2.023 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.821 1.237 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.112 -0.295 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.424 -1.203 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.532 0.567 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.689 2.137 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.573 0.361 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.729 1.159 -4.569 1.00 0.00 H new ATOM 94 N GLU A 6 -8.894 -1.636 -2.019 1.00 0.00 N ATOM 95 CA GLU A 6 -9.651 -2.862 -2.002 1.00 0.00 C ATOM 96 C GLU A 6 -9.686 -3.395 -3.417 1.00 0.00 C ATOM 97 O GLU A 6 -10.041 -2.663 -4.332 1.00 0.00 O ATOM 98 CB GLU A 6 -11.058 -2.577 -1.489 1.00 0.00 C ATOM 99 CG GLU A 6 -11.077 -2.001 -0.081 1.00 0.00 C ATOM 100 CD GLU A 6 -12.430 -1.450 0.307 1.00 0.00 C ATOM 101 OE1 GLU A 6 -12.874 -0.463 -0.315 1.00 0.00 O ATOM 102 OE2 GLU A 6 -13.055 -1.990 1.246 1.00 0.00 O ATOM 0 H GLU A 6 -9.249 -0.941 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.197 -3.602 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.551 -1.880 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.638 -3.500 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.789 -2.777 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.332 -1.209 -0.007 1.00 0.00 H new ATOM 109 N ALA A 7 -9.281 -4.635 -3.603 1.00 0.00 N ATOM 110 CA ALA A 7 -9.114 -5.178 -4.942 1.00 0.00 C ATOM 111 C ALA A 7 -9.554 -6.637 -5.010 1.00 0.00 C ATOM 112 O ALA A 7 -9.820 -7.266 -3.985 1.00 0.00 O ATOM 113 CB ALA A 7 -7.656 -5.062 -5.363 1.00 0.00 C ATOM 0 H ALA A 7 -9.061 -5.286 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.743 -4.603 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.534 -5.470 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.358 -4.013 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.031 -5.620 -4.666 1.00 0.00 H new ATOM 119 N VAL A 8 -9.645 -7.156 -6.224 1.00 0.00 N ATOM 120 CA VAL A 8 -9.942 -8.546 -6.455 1.00 0.00 C ATOM 121 C VAL A 8 -8.932 -9.158 -7.422 1.00 0.00 C ATOM 122 O VAL A 8 -8.621 -8.581 -8.467 1.00 0.00 O ATOM 123 CB VAL A 8 -11.361 -8.713 -7.035 1.00 0.00 C ATOM 124 CG1 VAL A 8 -12.413 -8.433 -5.979 1.00 0.00 C ATOM 125 CG2 VAL A 8 -11.576 -7.809 -8.243 1.00 0.00 C ATOM 0 H VAL A 8 -9.513 -6.614 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.883 -9.061 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.461 -9.748 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.405 -8.557 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.290 -9.129 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.301 -7.411 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.586 -7.951 -8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.443 -6.768 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.853 -8.061 -9.019 1.00 0.00 H new ATOM 135 N TYR A 9 -8.397 -10.308 -7.050 1.00 0.00 N ATOM 136 CA TYR A 9 -7.566 -11.086 -7.956 1.00 0.00 C ATOM 137 C TYR A 9 -8.460 -11.750 -8.975 1.00 0.00 C ATOM 138 O TYR A 9 -9.328 -12.537 -8.616 1.00 0.00 O ATOM 139 CB TYR A 9 -6.757 -12.140 -7.194 1.00 0.00 C ATOM 140 CG TYR A 9 -5.852 -12.970 -8.076 1.00 0.00 C ATOM 141 CD1 TYR A 9 -4.758 -12.400 -8.713 1.00 0.00 C ATOM 142 CD2 TYR A 9 -6.094 -14.321 -8.271 1.00 0.00 C ATOM 143 CE1 TYR A 9 -3.933 -13.152 -9.516 1.00 0.00 C ATOM 144 CE2 TYR A 9 -5.270 -15.083 -9.075 1.00 0.00 C ATOM 145 CZ TYR A 9 -4.193 -14.493 -9.698 1.00 0.00 C ATOM 146 OH TYR A 9 -3.368 -15.242 -10.500 1.00 0.00 O ATOM 0 H TYR A 9 -8.522 -10.725 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.857 -10.424 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.153 -11.642 -6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.445 -12.803 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.552 -11.349 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.940 -14.785 -7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.085 -12.693 -10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.469 -16.135 -9.214 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.687 -16.168 -10.523 1.00 0.00 H new ATOM 156 N GLU A 10 -8.236 -11.389 -10.230 1.00 0.00 N ATOM 157 CA GLU A 10 -9.026 -11.831 -11.362 1.00 0.00 C ATOM 158 C GLU A 10 -8.171 -11.745 -12.622 1.00 0.00 C ATOM 159 O GLU A 10 -7.424 -10.782 -12.786 1.00 0.00 O ATOM 160 CB GLU A 10 -10.235 -10.917 -11.518 1.00 0.00 C ATOM 161 CG GLU A 10 -11.229 -11.364 -12.572 1.00 0.00 C ATOM 162 CD GLU A 10 -12.279 -10.311 -12.839 1.00 0.00 C ATOM 163 OE1 GLU A 10 -11.990 -9.364 -13.601 1.00 0.00 O ATOM 164 OE2 GLU A 10 -13.389 -10.412 -12.278 1.00 0.00 O ATOM 0 H GLU A 10 -7.476 -10.762 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.359 -12.857 -11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.748 -10.847 -10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.887 -9.914 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.699 -11.591 -13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.713 -12.285 -12.247 1.00 0.00 H new ATOM 171 N ASN A 11 -8.267 -12.750 -13.486 1.00 0.00 N ATOM 172 CA ASN A 11 -7.537 -12.763 -14.766 1.00 0.00 C ATOM 173 C ASN A 11 -6.031 -12.822 -14.518 1.00 0.00 C ATOM 174 O ASN A 11 -5.228 -12.416 -15.355 1.00 0.00 O ATOM 175 CB ASN A 11 -7.891 -11.512 -15.594 1.00 0.00 C ATOM 176 CG ASN A 11 -7.591 -11.650 -17.081 1.00 0.00 C ATOM 177 OD1 ASN A 11 -8.411 -12.147 -17.856 1.00 0.00 O ATOM 178 ND2 ASN A 11 -6.423 -11.184 -17.488 1.00 0.00 N ATOM 0 H ASN A 11 -8.845 -13.575 -13.329 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.833 -13.650 -15.326 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.951 -11.292 -15.466 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.339 -10.659 -15.200 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.172 -11.228 -18.476 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.772 -10.780 -16.814 1.00 0.00 H new ATOM 185 N GLY A 12 -5.649 -13.366 -13.371 1.00 0.00 N ATOM 186 CA GLY A 12 -4.250 -13.392 -12.993 1.00 0.00 C ATOM 187 C GLY A 12 -3.734 -12.015 -12.630 1.00 0.00 C ATOM 188 O GLY A 12 -2.529 -11.765 -12.644 1.00 0.00 O ATOM 0 H GLY A 12 -6.284 -13.790 -12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.116 -14.064 -12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.660 -13.795 -13.816 1.00 0.00 H new ATOM 192 N VAL A 13 -4.658 -11.130 -12.291 1.00 0.00 N ATOM 193 CA VAL A 13 -4.342 -9.740 -11.994 1.00 0.00 C ATOM 194 C VAL A 13 -5.044 -9.330 -10.710 1.00 0.00 C ATOM 195 O VAL A 13 -6.006 -9.962 -10.309 1.00 0.00 O ATOM 196 CB VAL A 13 -4.838 -8.819 -13.131 1.00 0.00 C ATOM 197 CG1 VAL A 13 -4.477 -7.368 -12.872 1.00 0.00 C ATOM 198 CG2 VAL A 13 -4.306 -9.270 -14.482 1.00 0.00 C ATOM 0 H VAL A 13 -5.650 -11.355 -12.214 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.261 -9.644 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.925 -8.895 -13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.842 -6.750 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.935 -7.040 -11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.394 -7.270 -12.798 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.674 -8.601 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.216 -9.248 -14.470 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.646 -10.285 -14.686 1.00 0.00 H new ATOM 208 N PHE A 14 -4.575 -8.292 -10.058 1.00 0.00 N ATOM 209 CA PHE A 14 -5.325 -7.712 -8.969 1.00 0.00 C ATOM 210 C PHE A 14 -5.894 -6.368 -9.405 1.00 0.00 C ATOM 211 O PHE A 14 -5.154 -5.427 -9.692 1.00 0.00 O ATOM 212 CB PHE A 14 -4.451 -7.546 -7.732 1.00 0.00 C ATOM 213 CG PHE A 14 -4.217 -8.818 -6.958 1.00 0.00 C ATOM 214 CD1 PHE A 14 -3.143 -9.652 -7.246 1.00 0.00 C ATOM 215 CD2 PHE A 14 -5.067 -9.169 -5.928 1.00 0.00 C ATOM 216 CE1 PHE A 14 -2.930 -10.811 -6.516 1.00 0.00 C ATOM 217 CE2 PHE A 14 -4.861 -10.324 -5.198 1.00 0.00 C ATOM 218 CZ PHE A 14 -3.794 -11.146 -5.488 1.00 0.00 C ATOM 0 H PHE A 14 -3.686 -7.835 -10.260 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.144 -8.383 -8.709 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.487 -7.138 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.914 -6.813 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.467 -9.394 -8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.905 -8.531 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.092 -11.451 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.538 -10.583 -4.398 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.633 -12.048 -4.916 1.00 0.00 H new ATOM 228 N LYS A 15 -7.210 -6.290 -9.470 1.00 0.00 N ATOM 229 CA LYS A 15 -7.894 -5.072 -9.857 1.00 0.00 C ATOM 230 C LYS A 15 -8.665 -4.519 -8.681 1.00 0.00 C ATOM 231 O LYS A 15 -9.469 -5.227 -8.086 1.00 0.00 O ATOM 232 CB LYS A 15 -8.879 -5.322 -10.998 1.00 0.00 C ATOM 233 CG LYS A 15 -8.237 -5.494 -12.358 1.00 0.00 C ATOM 234 CD LYS A 15 -7.941 -6.952 -12.673 1.00 0.00 C ATOM 235 CE LYS A 15 -9.201 -7.808 -12.623 1.00 0.00 C ATOM 236 NZ LYS A 15 -10.272 -7.305 -13.529 1.00 0.00 N ATOM 0 H LYS A 15 -7.833 -7.068 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.135 -4.363 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.460 -6.215 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.580 -4.489 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.897 -5.085 -13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.311 -4.921 -12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.490 -7.026 -13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.211 -7.337 -11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.951 -8.833 -12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.578 -7.834 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.987 -8.048 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.721 -6.468 -13.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.857 -7.048 -14.447 1.00 0.00 H new ATOM 250 N PRO A 16 -8.442 -3.257 -8.325 1.00 0.00 N ATOM 251 CA PRO A 16 -9.183 -2.639 -7.242 1.00 0.00 C ATOM 252 C PRO A 16 -10.672 -2.528 -7.555 1.00 0.00 C ATOM 253 O PRO A 16 -11.113 -2.740 -8.688 1.00 0.00 O ATOM 254 CB PRO A 16 -8.554 -1.248 -7.119 1.00 0.00 C ATOM 255 CG PRO A 16 -7.888 -1.006 -8.430 1.00 0.00 C ATOM 256 CD PRO A 16 -7.457 -2.353 -8.924 1.00 0.00 C ATOM 0 HA PRO A 16 -9.126 -3.224 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.310 -0.490 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.836 -1.211 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.572 -0.532 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.033 -0.339 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.470 -2.406 -10.013 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.443 -2.594 -8.605 1.00 0.00 H new ATOM 264 N LEU A 17 -11.425 -2.169 -6.541 1.00 0.00 N ATOM 265 CA LEU A 17 -12.848 -1.910 -6.680 1.00 0.00 C ATOM 266 C LEU A 17 -13.036 -0.411 -6.645 1.00 0.00 C ATOM 267 O LEU A 17 -14.130 0.123 -6.834 1.00 0.00 O ATOM 268 CB LEU A 17 -13.635 -2.578 -5.548 1.00 0.00 C ATOM 269 CG LEU A 17 -13.409 -4.087 -5.393 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.228 -4.627 -4.232 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.759 -4.813 -6.683 1.00 0.00 C ATOM 0 H LEU A 17 -11.071 -2.047 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.221 -2.323 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.374 -2.090 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.698 -2.402 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.354 -4.261 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.058 -5.699 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.928 -4.126 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.286 -4.443 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.593 -5.883 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.806 -4.635 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.129 -4.442 -7.492 1.00 0.00 H new ATOM 283 N GLN A 18 -11.921 0.246 -6.389 1.00 0.00 N ATOM 284 CA GLN A 18 -11.847 1.696 -6.366 1.00 0.00 C ATOM 285 C GLN A 18 -10.609 2.143 -7.118 1.00 0.00 C ATOM 286 O GLN A 18 -9.518 1.628 -6.878 1.00 0.00 O ATOM 287 CB GLN A 18 -11.805 2.212 -4.925 1.00 0.00 C ATOM 288 CG GLN A 18 -10.783 1.492 -4.056 1.00 0.00 C ATOM 289 CD GLN A 18 -10.646 2.089 -2.667 1.00 0.00 C ATOM 290 OE1 GLN A 18 -10.311 1.249 -1.699 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 -10.844 3.284 -2.459 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.033 -0.215 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.735 2.107 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.577 3.278 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.793 2.102 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.067 0.444 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.813 1.518 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.100 3.900 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.752 3.659 -1.515 1.00 0.00 H new ATOM 300 N LYS A 19 -10.773 3.068 -8.045 1.00 0.00 N ATOM 301 CA LYS A 19 -9.647 3.554 -8.810 1.00 0.00 C ATOM 302 C LYS A 19 -8.711 4.363 -7.933 1.00 0.00 C ATOM 303 O LYS A 19 -9.132 5.272 -7.218 1.00 0.00 O ATOM 304 CB LYS A 19 -10.094 4.405 -9.993 1.00 0.00 C ATOM 305 CG LYS A 19 -8.929 4.829 -10.870 1.00 0.00 C ATOM 306 CD LYS A 19 -9.301 5.922 -11.859 1.00 0.00 C ATOM 307 CE LYS A 19 -8.105 6.306 -12.716 1.00 0.00 C ATOM 308 NZ LYS A 19 -8.393 7.470 -13.596 1.00 0.00 N ATOM 0 H LYS A 19 -11.669 3.493 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.121 2.680 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.811 3.843 -10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.611 5.292 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.114 5.180 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.558 3.962 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.116 5.579 -12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.664 6.797 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.259 6.542 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.811 5.454 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.549 7.695 -14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.183 7.238 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.648 8.292 -13.012 1.00 0.00 H new ATOM 322 N VAL A 20 -7.446 4.019 -7.997 1.00 0.00 N ATOM 323 CA VAL A 20 -6.422 4.723 -7.256 1.00 0.00 C ATOM 324 C VAL A 20 -5.452 5.361 -8.226 1.00 0.00 C ATOM 325 O VAL A 20 -5.225 4.857 -9.326 1.00 0.00 O ATOM 326 CB VAL A 20 -5.676 3.782 -6.288 1.00 0.00 C ATOM 327 CG1 VAL A 20 -4.798 4.571 -5.331 1.00 0.00 C ATOM 328 CG2 VAL A 20 -6.666 2.923 -5.518 1.00 0.00 C ATOM 0 H VAL A 20 -7.097 3.245 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.900 5.496 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.031 3.129 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.283 3.884 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.063 5.143 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.417 5.253 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.125 2.264 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.335 3.564 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.249 2.324 -6.218 1.00 0.00 H new ATOM 338 N ASP A 21 -4.898 6.473 -7.808 1.00 0.00 N ATOM 339 CA ASP A 21 -4.103 7.316 -8.678 1.00 0.00 C ATOM 340 C ASP A 21 -2.623 7.170 -8.342 1.00 0.00 C ATOM 341 O ASP A 21 -1.811 8.060 -8.581 1.00 0.00 O ATOM 342 CB ASP A 21 -4.582 8.747 -8.496 1.00 0.00 C ATOM 343 CG ASP A 21 -4.107 9.686 -9.590 1.00 0.00 C ATOM 344 OD1 ASP A 21 -4.567 9.535 -10.744 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.297 10.595 -9.303 1.00 0.00 O ATOM 0 H ASP A 21 -4.984 6.823 -6.854 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.222 7.023 -9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.672 8.757 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.234 9.119 -7.532 1.00 0.00 H new ATOM 350 N LEU A 22 -2.290 6.022 -7.774 1.00 0.00 N ATOM 351 CA LEU A 22 -0.912 5.698 -7.417 1.00 0.00 C ATOM 352 C LEU A 22 -0.035 5.540 -8.659 1.00 0.00 C ATOM 353 O LEU A 22 -0.509 5.627 -9.792 1.00 0.00 O ATOM 354 CB LEU A 22 -0.869 4.417 -6.586 1.00 0.00 C ATOM 355 CG LEU A 22 -1.417 4.533 -5.165 1.00 0.00 C ATOM 356 CD1 LEU A 22 -1.292 3.203 -4.440 1.00 0.00 C ATOM 357 CD2 LEU A 22 -0.689 5.628 -4.400 1.00 0.00 C ATOM 0 H LEU A 22 -2.962 5.289 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.519 6.526 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.432 3.645 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.165 4.076 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.473 4.798 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.687 3.301 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.857 2.441 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.243 2.911 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.093 5.696 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.374 5.392 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.826 6.581 -4.911 1.00 0.00 H new ATOM 369 N LYS A 23 1.249 5.291 -8.443 1.00 0.00 N ATOM 370 CA LYS A 23 2.201 5.234 -9.534 1.00 0.00 C ATOM 371 C LYS A 23 2.454 3.820 -10.016 1.00 0.00 C ATOM 372 O LYS A 23 2.023 2.848 -9.400 1.00 0.00 O ATOM 373 CB LYS A 23 3.529 5.855 -9.123 1.00 0.00 C ATOM 374 CG LYS A 23 3.523 7.369 -9.064 1.00 0.00 C ATOM 375 CD LYS A 23 4.928 7.924 -8.867 1.00 0.00 C ATOM 376 CE LYS A 23 5.767 7.892 -10.145 1.00 0.00 C ATOM 377 NZ LYS A 23 6.016 6.513 -10.645 1.00 0.00 N ATOM 0 H LYS A 23 1.652 5.126 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 23 1.757 5.799 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.810 5.467 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.298 5.534 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.098 7.769 -9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.882 7.700 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.860 8.951 -8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.435 7.349 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.260 8.467 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.722 8.382 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.951 6.471 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.987 5.844 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.284 6.258 -11.339 1.00 0.00 H new ATOM 391 N GLU A 24 3.167 3.732 -11.130 1.00 0.00 N ATOM 392 CA GLU A 24 3.583 2.471 -11.692 1.00 0.00 C ATOM 393 C GLU A 24 4.759 1.931 -10.897 1.00 0.00 C ATOM 394 O GLU A 24 5.690 2.671 -10.574 1.00 0.00 O ATOM 395 CB GLU A 24 3.984 2.647 -13.159 1.00 0.00 C ATOM 396 CG GLU A 24 3.297 3.812 -13.864 1.00 0.00 C ATOM 397 CD GLU A 24 4.038 5.126 -13.692 1.00 0.00 C ATOM 398 OE1 GLU A 24 3.900 5.767 -12.625 1.00 0.00 O ATOM 399 OE2 GLU A 24 4.762 5.524 -14.624 1.00 0.00 O ATOM 0 H GLU A 24 3.471 4.544 -11.667 1.00 0.00 H new ATOM 0 HA GLU A 24 2.752 1.767 -11.642 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.063 2.791 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.757 1.727 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.209 3.586 -14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.284 3.918 -13.476 1.00 0.00 H new ATOM 406 N GLY A 25 4.701 0.655 -10.560 1.00 0.00 N ATOM 407 CA GLY A 25 5.754 0.059 -9.776 1.00 0.00 C ATOM 408 C GLY A 25 5.643 0.443 -8.317 1.00 0.00 C ATOM 409 O GLY A 25 6.600 0.304 -7.554 1.00 0.00 O ATOM 0 H GLY A 25 3.943 0.022 -10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.711 -1.026 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.722 0.376 -10.164 1.00 0.00 H new ATOM 413 N GLU A 26 4.472 0.938 -7.927 1.00 0.00 N ATOM 414 CA GLU A 26 4.237 1.307 -6.543 1.00 0.00 C ATOM 415 C GLU A 26 4.198 0.070 -5.659 1.00 0.00 C ATOM 416 O GLU A 26 3.574 -0.939 -6.005 1.00 0.00 O ATOM 417 CB GLU A 26 2.961 2.138 -6.394 1.00 0.00 C ATOM 418 CG GLU A 26 3.234 3.627 -6.364 1.00 0.00 C ATOM 419 CD GLU A 26 4.473 3.981 -5.564 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.551 3.608 -4.378 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.378 4.634 -6.128 1.00 0.00 O ATOM 0 H GLU A 26 3.678 1.091 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 26 5.068 1.932 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.287 1.913 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.448 1.848 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.350 3.991 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.373 4.141 -5.938 1.00 0.00 H new ATOM 428 N ARG A 27 4.878 0.174 -4.523 1.00 0.00 N ATOM 429 CA ARG A 27 5.182 -0.983 -3.683 1.00 0.00 C ATOM 430 C ARG A 27 4.079 -1.287 -2.694 1.00 0.00 C ATOM 431 O ARG A 27 3.932 -0.655 -1.637 1.00 0.00 O ATOM 432 CB ARG A 27 6.477 -0.738 -2.944 1.00 0.00 C ATOM 433 CG ARG A 27 7.567 -1.774 -3.196 1.00 0.00 C ATOM 434 CD ARG A 27 7.894 -1.939 -4.679 1.00 0.00 C ATOM 435 NE ARG A 27 8.075 -0.660 -5.374 1.00 0.00 N ATOM 436 CZ ARG A 27 9.228 0.013 -5.440 1.00 0.00 C ATOM 437 NH1 ARG A 27 10.304 -0.421 -4.799 1.00 0.00 N ATOM 438 NH2 ARG A 27 9.294 1.129 -6.150 1.00 0.00 N ATOM 0 H ARG A 27 5.234 1.058 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 27 5.274 -1.850 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.858 0.244 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.267 -0.705 -1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.470 -1.483 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.250 -2.734 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.802 -2.533 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.092 -2.498 -5.162 1.00 0.00 H new ATOM 0 HE ARG A 27 7.263 -0.255 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.258 -1.278 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.178 0.102 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.468 1.470 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.171 1.648 -6.205 1.00 0.00 H new ATOM 452 N VAL A 28 3.350 -2.307 -3.040 1.00 0.00 N ATOM 453 CA VAL A 28 2.197 -2.729 -2.265 1.00 0.00 C ATOM 454 C VAL A 28 2.275 -4.221 -1.965 1.00 0.00 C ATOM 455 O VAL A 28 2.901 -4.981 -2.711 1.00 0.00 O ATOM 456 CB VAL A 28 0.883 -2.426 -3.013 1.00 0.00 C ATOM 457 CG1 VAL A 28 0.681 -0.929 -3.179 1.00 0.00 C ATOM 458 CG2 VAL A 28 0.865 -3.115 -4.367 1.00 0.00 C ATOM 0 H VAL A 28 3.530 -2.877 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 28 2.205 -2.169 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 28 0.060 -2.816 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.253 -0.745 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.640 -0.456 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.511 -0.511 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.071 -2.888 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.702 -2.759 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.951 -4.193 -4.228 1.00 0.00 H new ATOM 468 N LYS A 29 1.670 -4.641 -0.865 1.00 0.00 N ATOM 469 CA LYS A 29 1.596 -6.047 -0.543 1.00 0.00 C ATOM 470 C LYS A 29 0.166 -6.430 -0.216 1.00 0.00 C ATOM 471 O LYS A 29 -0.533 -5.744 0.533 1.00 0.00 O ATOM 472 CB LYS A 29 2.529 -6.399 0.603 1.00 0.00 C ATOM 473 CG LYS A 29 4.000 -6.215 0.262 1.00 0.00 C ATOM 474 CD LYS A 29 4.909 -6.830 1.313 1.00 0.00 C ATOM 475 CE LYS A 29 6.297 -6.201 1.294 1.00 0.00 C ATOM 476 NZ LYS A 29 6.915 -6.226 -0.060 1.00 0.00 N ATOM 0 H LYS A 29 1.225 -4.025 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 29 1.920 -6.617 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.283 -5.779 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.358 -7.435 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.207 -6.669 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.220 -5.152 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.464 -6.701 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.993 -7.903 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.230 -5.170 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.942 -6.731 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.819 -5.713 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.083 -7.211 -0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.275 -5.771 -0.742 1.00 0.00 H new ATOM 490 N ILE A 30 -0.243 -7.544 -0.771 1.00 0.00 N ATOM 491 CA ILE A 30 -1.636 -7.945 -0.772 1.00 0.00 C ATOM 492 C ILE A 30 -1.887 -9.036 0.242 1.00 0.00 C ATOM 493 O ILE A 30 -1.055 -9.919 0.448 1.00 0.00 O ATOM 494 CB ILE A 30 -2.040 -8.478 -2.148 1.00 0.00 C ATOM 495 CG1 ILE A 30 -1.417 -7.616 -3.244 1.00 0.00 C ATOM 496 CG2 ILE A 30 -3.548 -8.506 -2.278 1.00 0.00 C ATOM 497 CD1 ILE A 30 -1.609 -8.161 -4.638 1.00 0.00 C ATOM 0 H ILE A 30 0.380 -8.203 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.225 -7.063 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.670 -9.498 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.847 -6.616 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.349 -7.514 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.821 -8.887 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.968 -9.154 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.942 -7.497 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.138 -7.492 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.153 -9.149 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.674 -8.237 -4.856 1.00 0.00 H new ATOM 509 N LYS A 31 -3.042 -8.958 0.865 1.00 0.00 N ATOM 510 CA LYS A 31 -3.475 -9.929 1.828 1.00 0.00 C ATOM 511 C LYS A 31 -4.938 -10.234 1.600 1.00 0.00 C ATOM 512 O LYS A 31 -5.666 -9.417 1.028 1.00 0.00 O ATOM 513 CB LYS A 31 -3.316 -9.409 3.252 1.00 0.00 C ATOM 514 CG LYS A 31 -1.902 -9.087 3.673 1.00 0.00 C ATOM 515 CD LYS A 31 -1.503 -7.682 3.258 1.00 0.00 C ATOM 516 CE LYS A 31 -0.167 -7.270 3.863 1.00 0.00 C ATOM 517 NZ LYS A 31 0.239 -5.907 3.427 1.00 0.00 N ATOM 0 H LYS A 31 -3.712 -8.205 0.710 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.861 -10.821 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.923 -8.510 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.721 -10.152 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.812 -9.187 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.216 -9.807 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.442 -7.628 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.275 -6.978 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.236 -7.298 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.600 -7.988 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.248 -5.910 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.325 -5.625 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.078 -5.232 4.202 1.00 0.00 H new ATOM 531 N LEU A 32 -5.364 -11.389 2.058 1.00 0.00 N ATOM 532 CA LEU A 32 -6.773 -11.728 2.068 1.00 0.00 C ATOM 533 C LEU A 32 -7.350 -11.180 3.347 1.00 0.00 C ATOM 534 O LEU A 32 -6.981 -11.617 4.440 1.00 0.00 O ATOM 535 CB LEU A 32 -6.972 -13.233 1.986 1.00 0.00 C ATOM 536 CG LEU A 32 -6.530 -13.868 0.671 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.567 -15.377 0.763 1.00 0.00 C ATOM 538 CD2 LEU A 32 -7.419 -13.397 -0.465 1.00 0.00 C ATOM 0 H LEU A 32 -4.752 -12.115 2.431 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.276 -11.297 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.423 -13.703 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.028 -13.454 2.143 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.504 -13.559 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.248 -15.807 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.897 -15.710 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.583 -15.703 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.093 -13.858 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.451 -13.682 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.353 -12.313 -0.553 1.00 0.00 H new ATOM 606 N VAL A 36 -12.159 -6.789 12.045 1.00 0.00 N ATOM 607 CA VAL A 36 -11.698 -6.789 13.431 1.00 0.00 C ATOM 608 C VAL A 36 -12.454 -7.822 14.259 1.00 0.00 C ATOM 609 O VAL A 36 -13.687 -7.845 14.291 1.00 0.00 O ATOM 610 CB VAL A 36 -11.793 -5.390 14.079 1.00 0.00 C ATOM 611 CG1 VAL A 36 -13.131 -4.729 13.785 1.00 0.00 C ATOM 612 CG2 VAL A 36 -11.548 -5.462 15.580 1.00 0.00 C ATOM 0 HA VAL A 36 -10.644 -7.065 13.414 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.011 -4.773 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.163 -3.747 14.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.253 -4.619 12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -13.937 -5.347 14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.621 -4.463 16.009 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.294 -6.110 16.040 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.553 -5.865 15.767 1.00 0.00 H new ATOM 622 N GLU A 37 -11.694 -8.692 14.900 1.00 0.00 N ATOM 623 CA GLU A 37 -12.244 -9.805 15.639 1.00 0.00 C ATOM 624 C GLU A 37 -12.242 -9.518 17.136 1.00 0.00 C ATOM 625 O GLU A 37 -11.375 -8.799 17.632 1.00 0.00 O ATOM 626 CB GLU A 37 -11.416 -11.048 15.349 1.00 0.00 C ATOM 627 CG GLU A 37 -11.405 -11.439 13.882 1.00 0.00 C ATOM 628 CD GLU A 37 -10.689 -12.748 13.633 1.00 0.00 C ATOM 629 OE1 GLU A 37 -9.442 -12.785 13.728 1.00 0.00 O ATOM 630 OE2 GLU A 37 -11.368 -13.748 13.309 1.00 0.00 O ATOM 0 H GLU A 37 -10.675 -8.643 14.920 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.276 -9.963 15.327 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.391 -10.878 15.679 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.806 -11.880 15.936 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.431 -11.517 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.924 -10.650 13.303 1.00 0.00 H new ATOM 637 N PRO A 38 -13.219 -10.069 17.871 1.00 0.00 N ATOM 638 CA PRO A 38 -13.286 -9.946 19.325 1.00 0.00 C ATOM 639 C PRO A 38 -12.276 -10.859 20.014 1.00 0.00 C ATOM 640 O PRO A 38 -11.364 -11.394 19.372 1.00 0.00 O ATOM 641 CB PRO A 38 -14.718 -10.388 19.671 1.00 0.00 C ATOM 642 CG PRO A 38 -15.419 -10.578 18.365 1.00 0.00 C ATOM 643 CD PRO A 38 -14.347 -10.844 17.351 1.00 0.00 C ATOM 0 HA PRO A 38 -13.053 -8.934 19.658 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.712 -11.313 20.248 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.222 -9.636 20.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.121 -11.410 18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.995 -9.691 18.099 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.111 -11.906 17.279 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.641 -10.515 16.354 1.00 0.00 H new ATOM 651 N ILE A 39 -12.441 -11.047 21.316 1.00 0.00 N ATOM 652 CA ILE A 39 -11.544 -11.897 22.085 1.00 0.00 C ATOM 653 C ILE A 39 -11.735 -13.373 21.745 1.00 0.00 C ATOM 654 O ILE A 39 -12.843 -13.821 21.442 1.00 0.00 O ATOM 655 CB ILE A 39 -11.676 -11.684 23.617 1.00 0.00 C ATOM 656 CG1 ILE A 39 -13.104 -11.299 24.040 1.00 0.00 C ATOM 657 CG2 ILE A 39 -10.689 -10.631 24.086 1.00 0.00 C ATOM 658 CD1 ILE A 39 -14.128 -12.405 23.881 1.00 0.00 C ATOM 0 H ILE A 39 -13.190 -10.621 21.862 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.536 -11.597 21.797 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.448 -12.638 24.093 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.088 -10.984 25.083 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.424 -10.438 23.452 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.791 -10.490 25.162 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.674 -10.956 23.857 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.892 -9.689 23.576 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.105 -12.045 24.203 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.179 -12.706 22.835 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.837 -13.260 24.491 1.00 0.00 H new ATOM 670 N ASP A 40 -10.640 -14.116 21.757 1.00 0.00 N ATOM 671 CA ASP A 40 -10.681 -15.548 21.480 1.00 0.00 C ATOM 672 C ASP A 40 -9.971 -16.321 22.591 1.00 0.00 C ATOM 673 O ASP A 40 -10.055 -17.548 22.673 1.00 0.00 O ATOM 674 CB ASP A 40 -10.029 -15.836 20.121 1.00 0.00 C ATOM 675 CG ASP A 40 -10.137 -17.288 19.700 1.00 0.00 C ATOM 676 OD1 ASP A 40 -11.243 -17.717 19.308 1.00 0.00 O ATOM 677 OD2 ASP A 40 -9.109 -17.997 19.724 1.00 0.00 O ATOM 0 H ASP A 40 -9.708 -13.752 21.956 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.720 -15.874 21.445 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.496 -15.209 19.362 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.977 -15.555 20.164 1.00 0.00 H new ATOM 682 N LEU A 41 -9.286 -15.591 23.459 1.00 0.00 N ATOM 683 CA LEU A 41 -8.516 -16.205 24.531 1.00 0.00 C ATOM 684 C LEU A 41 -9.230 -16.082 25.877 1.00 0.00 C ATOM 685 O LEU A 41 -10.350 -15.573 25.954 1.00 0.00 O ATOM 686 CB LEU A 41 -7.109 -15.589 24.595 1.00 0.00 C ATOM 687 CG LEU A 41 -7.035 -14.054 24.529 1.00 0.00 C ATOM 688 CD1 LEU A 41 -7.481 -13.415 25.838 1.00 0.00 C ATOM 689 CD2 LEU A 41 -5.623 -13.610 24.172 1.00 0.00 C ATOM 0 H LEU A 41 -9.248 -14.572 23.442 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.421 -17.269 24.312 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.634 -15.915 25.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.519 -15.996 23.773 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.720 -13.719 23.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.415 -12.330 25.754 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.511 -13.701 26.050 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.836 -13.756 26.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.584 -12.522 24.128 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.926 -13.968 24.930 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.346 -14.022 23.202 1.00 0.00 H new ATOM 701 N GLY A 42 -8.568 -16.544 26.930 1.00 0.00 N ATOM 702 CA GLY A 42 -9.132 -16.497 28.259 1.00 0.00 C ATOM 703 C GLY A 42 -8.045 -16.375 29.304 1.00 0.00 C ATOM 704 O GLY A 42 -7.060 -17.110 29.269 1.00 0.00 O ATOM 0 H GLY A 42 -7.636 -16.956 26.882 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.815 -15.651 28.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.718 -17.398 28.442 1.00 0.00 H new ATOM 708 N GLU A 43 -8.212 -15.430 30.210 1.00 0.00 N ATOM 709 CA GLU A 43 -7.231 -15.182 31.251 1.00 0.00 C ATOM 710 C GLU A 43 -7.355 -16.200 32.385 1.00 0.00 C ATOM 711 O GLU A 43 -8.462 -16.520 32.826 1.00 0.00 O ATOM 712 CB GLU A 43 -7.399 -13.767 31.795 1.00 0.00 C ATOM 713 CG GLU A 43 -7.260 -12.686 30.732 1.00 0.00 C ATOM 714 CD GLU A 43 -7.308 -11.285 31.309 1.00 0.00 C ATOM 715 OE1 GLU A 43 -8.417 -10.801 31.619 1.00 0.00 O ATOM 716 OE2 GLU A 43 -6.233 -10.663 31.458 1.00 0.00 O ATOM 0 H GLU A 43 -9.026 -14.816 30.246 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.238 -15.286 30.814 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.379 -13.681 32.263 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.657 -13.596 32.575 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.318 -12.823 30.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.058 -12.799 29.998 1.00 0.00 H new ATOM 723 N PRO A 44 -6.211 -16.723 32.863 1.00 0.00 N ATOM 724 CA PRO A 44 -6.167 -17.733 33.928 1.00 0.00 C ATOM 725 C PRO A 44 -6.622 -17.196 35.283 1.00 0.00 C ATOM 726 O PRO A 44 -6.727 -15.987 35.489 1.00 0.00 O ATOM 727 CB PRO A 44 -4.683 -18.141 33.989 1.00 0.00 C ATOM 728 CG PRO A 44 -4.069 -17.602 32.741 1.00 0.00 C ATOM 729 CD PRO A 44 -4.863 -16.378 32.393 1.00 0.00 C ATOM 0 HA PRO A 44 -6.845 -18.559 33.713 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.199 -17.729 34.874 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.576 -19.224 34.043 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.019 -17.356 32.896 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.109 -18.336 31.936 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.476 -15.489 32.891 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.847 -16.176 31.322 1.00 0.00 H new ATOM 737 N VAL A 45 -6.878 -18.116 36.203 1.00 0.00 N ATOM 738 CA VAL A 45 -7.351 -17.768 37.537 1.00 0.00 C ATOM 739 C VAL A 45 -6.161 -17.467 38.453 1.00 0.00 C ATOM 740 O VAL A 45 -5.042 -17.904 38.183 1.00 0.00 O ATOM 741 CB VAL A 45 -8.190 -18.921 38.144 1.00 0.00 C ATOM 742 CG1 VAL A 45 -8.979 -18.454 39.358 1.00 0.00 C ATOM 743 CG2 VAL A 45 -9.121 -19.519 37.102 1.00 0.00 C ATOM 0 H VAL A 45 -6.765 -19.118 36.048 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.982 -16.883 37.453 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.496 -19.695 38.473 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.556 -19.287 39.759 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.291 -18.089 40.121 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.656 -17.651 39.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.699 -20.326 37.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.798 -18.748 36.734 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.534 -19.912 36.272 1.00 0.00 H new ATOM 753 N SER A 46 -6.406 -16.722 39.523 1.00 0.00 N ATOM 754 CA SER A 46 -5.357 -16.345 40.458 1.00 0.00 C ATOM 755 C SER A 46 -5.134 -17.438 41.506 1.00 0.00 C ATOM 756 O SER A 46 -5.942 -18.364 41.634 1.00 0.00 O ATOM 757 CB SER A 46 -5.736 -15.033 41.138 1.00 0.00 C ATOM 758 OG SER A 46 -6.102 -14.047 40.181 1.00 0.00 O ATOM 0 H SER A 46 -7.330 -16.365 39.765 1.00 0.00 H new ATOM 0 HA SER A 46 -4.426 -16.217 39.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.565 -15.202 41.825 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.897 -14.673 41.733 1.00 0.00 H new ATOM 0 HG SER A 46 -6.342 -13.216 40.642 1.00 0.00 H new ATOM 764 N VAL A 47 -4.042 -17.315 42.251 1.00 0.00 N ATOM 765 CA VAL A 47 -3.671 -18.294 43.266 1.00 0.00 C ATOM 766 C VAL A 47 -4.649 -18.270 44.444 1.00 0.00 C ATOM 767 O VAL A 47 -5.017 -17.209 44.947 1.00 0.00 O ATOM 768 CB VAL A 47 -2.221 -18.057 43.759 1.00 0.00 C ATOM 769 CG1 VAL A 47 -2.021 -16.622 44.215 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.850 -19.027 44.872 1.00 0.00 C ATOM 0 H VAL A 47 -3.390 -16.535 42.169 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.721 -19.281 42.806 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.557 -18.240 42.914 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.994 -16.488 44.555 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.219 -15.945 43.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.706 -16.402 45.034 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.827 -18.835 45.196 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.529 -18.892 45.714 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.928 -20.050 44.504 1.00 0.00 H new ATOM 780 N GLU A 48 -5.066 -19.456 44.866 1.00 0.00 N ATOM 781 CA GLU A 48 -6.088 -19.608 45.898 1.00 0.00 C ATOM 782 C GLU A 48 -5.488 -19.594 47.305 1.00 0.00 C ATOM 783 O GLU A 48 -6.078 -19.055 48.242 1.00 0.00 O ATOM 784 CB GLU A 48 -6.833 -20.930 45.674 1.00 0.00 C ATOM 785 CG GLU A 48 -5.903 -22.138 45.623 1.00 0.00 C ATOM 786 CD GLU A 48 -6.625 -23.444 45.379 1.00 0.00 C ATOM 787 OE1 GLU A 48 -6.848 -23.792 44.204 1.00 0.00 O ATOM 788 OE2 GLU A 48 -6.950 -24.139 46.362 1.00 0.00 O ATOM 0 H GLU A 48 -4.707 -20.340 44.505 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.772 -18.763 45.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.559 -21.071 46.474 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.394 -20.871 44.741 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.166 -21.986 44.834 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.355 -22.205 46.563 1.00 0.00 H new ATOM 795 N GLU A 49 -4.302 -20.165 47.427 1.00 0.00 N ATOM 796 CA GLU A 49 -3.677 -20.415 48.727 1.00 0.00 C ATOM 797 C GLU A 49 -3.318 -19.127 49.457 1.00 0.00 C ATOM 798 O GLU A 49 -3.248 -19.099 50.686 1.00 0.00 O ATOM 799 CB GLU A 49 -2.428 -21.272 48.546 1.00 0.00 C ATOM 800 CG GLU A 49 -2.708 -22.613 47.889 1.00 0.00 C ATOM 801 CD GLU A 49 -1.449 -23.415 47.644 1.00 0.00 C ATOM 802 OE1 GLU A 49 -0.782 -23.178 46.615 1.00 0.00 O ATOM 803 OE2 GLU A 49 -1.122 -24.289 48.476 1.00 0.00 O ATOM 0 H GLU A 49 -3.741 -20.470 46.632 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.407 -20.944 49.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.704 -20.724 47.943 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.968 -21.441 49.520 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.384 -23.189 48.521 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.220 -22.449 46.941 1.00 0.00 H new ATOM 810 N ILE A 50 -3.109 -18.065 48.697 1.00 0.00 N ATOM 811 CA ILE A 50 -2.619 -16.806 49.252 1.00 0.00 C ATOM 812 C ILE A 50 -3.721 -16.049 50.000 1.00 0.00 C ATOM 813 O ILE A 50 -3.459 -15.070 50.695 1.00 0.00 O ATOM 814 CB ILE A 50 -2.026 -15.901 48.141 1.00 0.00 C ATOM 815 CG1 ILE A 50 -1.190 -14.767 48.750 1.00 0.00 C ATOM 816 CG2 ILE A 50 -3.137 -15.334 47.262 1.00 0.00 C ATOM 817 CD1 ILE A 50 -0.512 -13.889 47.723 1.00 0.00 C ATOM 0 H ILE A 50 -3.270 -18.046 47.690 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.833 -17.058 49.963 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.371 -16.511 47.519 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.834 -14.148 49.375 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.431 -15.198 49.403 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.702 -14.702 46.488 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.686 -16.152 46.796 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.818 -14.742 47.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.059 -13.111 48.230 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.159 -14.494 47.114 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.265 -13.428 47.084 1.00 0.00 H new ATOM 829 N LYS A 51 -4.952 -16.519 49.877 1.00 0.00 N ATOM 830 CA LYS A 51 -6.084 -15.814 50.473 1.00 0.00 C ATOM 831 C LYS A 51 -6.337 -16.268 51.907 1.00 0.00 C ATOM 832 O LYS A 51 -7.183 -15.703 52.608 1.00 0.00 O ATOM 833 CB LYS A 51 -7.353 -16.022 49.648 1.00 0.00 C ATOM 834 CG LYS A 51 -8.428 -14.987 49.943 1.00 0.00 C ATOM 835 CD LYS A 51 -9.832 -15.531 49.713 1.00 0.00 C ATOM 836 CE LYS A 51 -10.186 -16.593 50.745 1.00 0.00 C ATOM 837 NZ LYS A 51 -9.950 -16.116 52.134 1.00 0.00 N ATOM 0 H LYS A 51 -5.195 -17.374 49.377 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.828 -14.755 50.482 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.101 -15.985 48.588 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.750 -17.017 49.847 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.335 -14.654 50.977 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.271 -14.113 49.311 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.554 -14.716 49.764 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.901 -15.956 48.712 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.233 -16.876 50.631 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.592 -17.489 50.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.416 -16.759 52.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.928 -16.096 52.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.341 -15.159 52.243 1.00 0.00 H new ATOM 1211 N ILE B 4 1.773 -12.930 2.556 1.00 0.00 N ATOM 1212 CA ILE B 4 1.317 -11.803 1.799 1.00 0.00 C ATOM 1213 C ILE B 4 1.968 -11.795 0.426 1.00 0.00 C ATOM 1214 O ILE B 4 3.129 -12.185 0.274 1.00 0.00 O ATOM 1215 CB ILE B 4 1.629 -10.492 2.530 1.00 0.00 C ATOM 1216 CG1 ILE B 4 3.137 -10.266 2.665 1.00 0.00 C ATOM 1217 CG2 ILE B 4 0.974 -10.503 3.900 1.00 0.00 C ATOM 1218 CD1 ILE B 4 3.739 -10.820 3.939 1.00 0.00 C ATOM 0 HA ILE B 4 0.236 -11.887 1.683 1.00 0.00 H new ATOM 0 HB ILE B 4 1.226 -9.670 1.939 1.00 0.00 H new ATOM 0 HG12 ILE B 4 3.639 -10.722 1.812 1.00 0.00 H new ATOM 0 HG13 ILE B 4 3.338 -9.196 2.618 1.00 0.00 H new ATOM 0 HG21 ILE B 4 1.197 -9.570 4.418 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -0.105 -10.606 3.787 1.00 0.00 H new ATOM 0 HG23 ILE B 4 1.359 -11.341 4.481 1.00 0.00 H new ATOM 0 HD11 ILE B 4 4.810 -10.617 3.954 1.00 0.00 H new ATOM 0 HD12 ILE B 4 3.268 -10.346 4.800 1.00 0.00 H new ATOM 0 HD13 ILE B 4 3.573 -11.897 3.982 1.00 0.00 H new ATOM 1230 N ILE B 5 1.209 -11.384 -0.573 1.00 0.00 N ATOM 1231 CA ILE B 5 1.722 -11.312 -1.930 1.00 0.00 C ATOM 1232 C ILE B 5 2.375 -9.959 -2.159 1.00 0.00 C ATOM 1233 O ILE B 5 1.984 -8.963 -1.549 1.00 0.00 O ATOM 1234 CB ILE B 5 0.610 -11.514 -2.979 1.00 0.00 C ATOM 1235 CG1 ILE B 5 -0.311 -12.658 -2.558 1.00 0.00 C ATOM 1236 CG2 ILE B 5 1.212 -11.797 -4.350 1.00 0.00 C ATOM 1237 CD1 ILE B 5 -1.448 -12.907 -3.521 1.00 0.00 C ATOM 0 H ILE B 5 0.236 -11.095 -0.471 1.00 0.00 H new ATOM 0 HA ILE B 5 2.451 -12.114 -2.047 1.00 0.00 H new ATOM 0 HB ILE B 5 0.024 -10.597 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE B 5 0.278 -13.570 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -0.722 -12.438 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE B 5 0.412 -11.937 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE B 5 1.836 -10.956 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE B 5 1.820 -12.701 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -2.059 -13.733 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -2.061 -12.009 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -1.045 -13.159 -4.502 1.00 0.00 H new ATOM 1249 N GLU B 6 3.357 -9.914 -3.038 1.00 0.00 N ATOM 1250 CA GLU B 6 4.051 -8.689 -3.321 1.00 0.00 C ATOM 1251 C GLU B 6 3.761 -8.298 -4.747 1.00 0.00 C ATOM 1252 O GLU B 6 4.060 -9.053 -5.672 1.00 0.00 O ATOM 1253 CB GLU B 6 5.546 -8.873 -3.113 1.00 0.00 C ATOM 1254 CG GLU B 6 5.904 -9.265 -1.687 1.00 0.00 C ATOM 1255 CD GLU B 6 7.394 -9.375 -1.464 1.00 0.00 C ATOM 1256 OE1 GLU B 6 8.022 -8.348 -1.139 1.00 0.00 O ATOM 1257 OE2 GLU B 6 7.942 -10.485 -1.605 1.00 0.00 O ATOM 0 H GLU B 6 3.688 -10.721 -3.567 1.00 0.00 H new ATOM 0 HA GLU B 6 3.713 -7.902 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU B 6 5.911 -9.639 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU B 6 6.060 -7.946 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU B 6 5.492 -8.527 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU B 6 5.435 -10.220 -1.449 1.00 0.00 H new ATOM 1264 N ALA B 7 3.147 -7.147 -4.917 1.00 0.00 N ATOM 1265 CA ALA B 7 2.712 -6.704 -6.221 1.00 0.00 C ATOM 1266 C ALA B 7 3.094 -5.250 -6.451 1.00 0.00 C ATOM 1267 O ALA B 7 3.459 -4.529 -5.514 1.00 0.00 O ATOM 1268 CB ALA B 7 1.208 -6.875 -6.348 1.00 0.00 C ATOM 0 H ALA B 7 2.937 -6.497 -4.160 1.00 0.00 H new ATOM 0 HA ALA B 7 3.208 -7.312 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.886 -6.539 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.949 -7.926 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA B 7 0.708 -6.283 -5.581 1.00 0.00 H new ATOM 1274 N VAL B 8 3.025 -4.838 -7.701 1.00 0.00 N ATOM 1275 CA VAL B 8 3.230 -3.464 -8.061 1.00 0.00 C ATOM 1276 C VAL B 8 2.066 -2.950 -8.898 1.00 0.00 C ATOM 1277 O VAL B 8 1.589 -3.632 -9.807 1.00 0.00 O ATOM 1278 CB VAL B 8 4.544 -3.281 -8.839 1.00 0.00 C ATOM 1279 CG1 VAL B 8 5.742 -3.363 -7.904 1.00 0.00 C ATOM 1280 CG2 VAL B 8 4.671 -4.312 -9.953 1.00 0.00 C ATOM 0 H VAL B 8 2.825 -5.452 -8.490 1.00 0.00 H new ATOM 0 HA VAL B 8 3.291 -2.889 -7.137 1.00 0.00 H new ATOM 0 HB VAL B 8 4.525 -2.290 -9.293 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.660 -3.231 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.669 -2.580 -7.149 1.00 0.00 H new ATOM 0 HG13 VAL B 8 5.756 -4.337 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.609 -4.158 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL B 8 4.657 -5.314 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL B 8 3.838 -4.202 -10.647 1.00 0.00 H new ATOM 1290 N TYR B 9 1.586 -1.773 -8.541 1.00 0.00 N ATOM 1291 CA TYR B 9 0.604 -1.050 -9.350 1.00 0.00 C ATOM 1292 C TYR B 9 1.273 -0.684 -10.657 1.00 0.00 C ATOM 1293 O TYR B 9 2.053 0.249 -10.735 1.00 0.00 O ATOM 1294 CB TYR B 9 0.176 0.201 -8.572 1.00 0.00 C ATOM 1295 CG TYR B 9 -1.273 0.619 -8.711 1.00 0.00 C ATOM 1296 CD1 TYR B 9 -2.309 -0.267 -8.444 1.00 0.00 C ATOM 1297 CD2 TYR B 9 -1.602 1.924 -9.058 1.00 0.00 C ATOM 1298 CE1 TYR B 9 -3.630 0.136 -8.518 1.00 0.00 C ATOM 1299 CE2 TYR B 9 -2.918 2.333 -9.141 1.00 0.00 C ATOM 1300 CZ TYR B 9 -3.926 1.436 -8.868 1.00 0.00 C ATOM 1301 OH TYR B 9 -5.238 1.847 -8.947 1.00 0.00 O ATOM 0 H TYR B 9 1.860 -1.287 -7.687 1.00 0.00 H new ATOM 0 HA TYR B 9 -0.283 -1.649 -9.559 1.00 0.00 H new ATOM 0 HB2 TYR B 9 0.383 0.033 -7.515 1.00 0.00 H new ATOM 0 HB3 TYR B 9 0.803 1.033 -8.891 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -2.079 -1.287 -8.174 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -0.813 2.632 -9.267 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -4.424 -0.563 -8.303 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -3.155 3.350 -9.418 1.00 0.00 H new ATOM 0 HH TYR B 9 -5.269 2.817 -9.085 1.00 0.00 H new ATOM 1311 N GLU B 10 0.985 -1.469 -11.668 1.00 0.00 N ATOM 1312 CA GLU B 10 1.683 -1.401 -12.924 1.00 0.00 C ATOM 1313 C GLU B 10 0.720 -1.083 -14.032 1.00 0.00 C ATOM 1314 O GLU B 10 -0.236 -1.825 -14.273 1.00 0.00 O ATOM 1315 CB GLU B 10 2.345 -2.734 -13.190 1.00 0.00 C ATOM 1316 CG GLU B 10 3.836 -2.660 -13.442 1.00 0.00 C ATOM 1317 CD GLU B 10 4.152 -2.130 -14.819 1.00 0.00 C ATOM 1318 OE1 GLU B 10 4.132 -2.931 -15.778 1.00 0.00 O ATOM 1319 OE2 GLU B 10 4.414 -0.921 -14.948 1.00 0.00 O ATOM 0 H GLU B 10 0.253 -2.178 -11.639 1.00 0.00 H new ATOM 0 HA GLU B 10 2.437 -0.615 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.166 -3.390 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU B 10 1.867 -3.196 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU B 10 4.299 -2.019 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU B 10 4.273 -3.652 -13.327 1.00 0.00 H new ATOM 1326 N ASN B 11 0.980 0.026 -14.682 1.00 0.00 N ATOM 1327 CA ASN B 11 0.150 0.508 -15.778 1.00 0.00 C ATOM 1328 C ASN B 11 -1.308 0.580 -15.398 1.00 0.00 C ATOM 1329 O ASN B 11 -2.184 0.384 -16.240 1.00 0.00 O ATOM 1330 CB ASN B 11 0.310 -0.396 -16.997 1.00 0.00 C ATOM 1331 CG ASN B 11 1.559 -0.096 -17.805 1.00 0.00 C ATOM 1332 OD1 ASN B 11 1.534 0.717 -18.730 1.00 0.00 O ATOM 1333 ND2 ASN B 11 2.662 -0.743 -17.460 1.00 0.00 N ATOM 0 H ASN B 11 1.776 0.628 -14.470 1.00 0.00 H new ATOM 0 HA ASN B 11 0.487 1.517 -16.015 1.00 0.00 H new ATOM 0 HB2 ASN B 11 0.338 -1.435 -16.669 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.564 -0.288 -17.639 1.00 0.00 H new ATOM 0 HD21 ASN B 11 3.531 -0.575 -17.967 1.00 0.00 H new ATOM 0 HD22 ASN B 11 2.642 -1.409 -16.688 1.00 0.00 H new ATOM 1340 N GLY B 12 -1.583 0.889 -14.146 1.00 0.00 N ATOM 1341 CA GLY B 12 -2.932 0.739 -13.703 1.00 0.00 C ATOM 1342 C GLY B 12 -3.034 -0.155 -12.511 1.00 0.00 C ATOM 1343 O GLY B 12 -3.320 0.281 -11.414 1.00 0.00 O ATOM 0 H GLY B 12 -0.916 1.230 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -3.344 1.718 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -3.537 0.332 -14.514 1.00 0.00 H new ATOM 1347 N VAL B 13 -2.804 -1.417 -12.763 1.00 0.00 N ATOM 1348 CA VAL B 13 -3.336 -2.501 -11.936 1.00 0.00 C ATOM 1349 C VAL B 13 -2.307 -3.053 -10.968 1.00 0.00 C ATOM 1350 O VAL B 13 -1.136 -2.744 -11.066 1.00 0.00 O ATOM 1351 CB VAL B 13 -3.820 -3.654 -12.826 1.00 0.00 C ATOM 1352 CG1 VAL B 13 -4.962 -3.196 -13.713 1.00 0.00 C ATOM 1353 CG2 VAL B 13 -2.673 -4.196 -13.678 1.00 0.00 C ATOM 0 H VAL B 13 -2.240 -1.738 -13.550 1.00 0.00 H new ATOM 0 HA VAL B 13 -4.159 -2.077 -11.362 1.00 0.00 H new ATOM 0 HB VAL B 13 -4.179 -4.456 -12.181 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -5.293 -4.026 -14.337 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -5.791 -2.856 -13.092 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -4.624 -2.377 -14.348 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -3.037 -5.013 -14.301 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -2.284 -3.400 -14.313 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -1.879 -4.562 -13.028 1.00 0.00 H new ATOM 1363 N PHE B 14 -2.739 -3.910 -10.054 1.00 0.00 N ATOM 1364 CA PHE B 14 -1.807 -4.573 -9.168 1.00 0.00 C ATOM 1365 C PHE B 14 -1.306 -5.849 -9.825 1.00 0.00 C ATOM 1366 O PHE B 14 -2.072 -6.785 -10.069 1.00 0.00 O ATOM 1367 CB PHE B 14 -2.464 -4.911 -7.834 1.00 0.00 C ATOM 1368 CG PHE B 14 -2.881 -3.716 -7.031 1.00 0.00 C ATOM 1369 CD1 PHE B 14 -1.945 -2.996 -6.312 1.00 0.00 C ATOM 1370 CD2 PHE B 14 -4.209 -3.320 -6.986 1.00 0.00 C ATOM 1371 CE1 PHE B 14 -2.320 -1.898 -5.565 1.00 0.00 C ATOM 1372 CE2 PHE B 14 -4.591 -2.223 -6.240 1.00 0.00 C ATOM 1373 CZ PHE B 14 -3.644 -1.514 -5.527 1.00 0.00 C ATOM 0 H PHE B 14 -3.718 -4.157 -9.911 1.00 0.00 H new ATOM 0 HA PHE B 14 -0.972 -3.898 -8.978 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -3.340 -5.532 -8.021 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -1.770 -5.508 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -0.908 -3.297 -6.335 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -4.952 -3.875 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -1.579 -1.341 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.627 -1.920 -6.214 1.00 0.00 H new ATOM 0 HZ PHE B 14 -3.941 -0.658 -4.939 1.00 0.00 H new ATOM 1383 N LYS B 15 -0.024 -5.877 -10.114 1.00 0.00 N ATOM 1384 CA LYS B 15 0.591 -7.018 -10.748 1.00 0.00 C ATOM 1385 C LYS B 15 1.593 -7.643 -9.811 1.00 0.00 C ATOM 1386 O LYS B 15 2.612 -7.033 -9.488 1.00 0.00 O ATOM 1387 CB LYS B 15 1.249 -6.576 -12.048 1.00 0.00 C ATOM 1388 CG LYS B 15 0.245 -6.310 -13.156 1.00 0.00 C ATOM 1389 CD LYS B 15 0.837 -5.454 -14.267 1.00 0.00 C ATOM 1390 CE LYS B 15 2.131 -6.034 -14.807 1.00 0.00 C ATOM 1391 NZ LYS B 15 2.636 -5.261 -15.978 1.00 0.00 N ATOM 0 H LYS B 15 0.619 -5.110 -9.916 1.00 0.00 H new ATOM 0 HA LYS B 15 -0.164 -7.769 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS B 15 1.830 -5.672 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS B 15 1.949 -7.345 -12.375 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -0.096 -7.258 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -0.630 -5.810 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS B 15 0.115 -5.363 -15.078 1.00 0.00 H new ATOM 0 HD3 LYS B 15 1.021 -4.448 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS B 15 2.885 -6.036 -14.020 1.00 0.00 H new ATOM 0 HE3 LYS B 15 1.971 -7.072 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 3.260 -5.865 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 1.833 -4.946 -16.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.168 -4.432 -15.644 1.00 0.00 H new ATOM 1405 N PRO B 16 1.297 -8.853 -9.315 1.00 0.00 N ATOM 1406 CA PRO B 16 2.176 -9.515 -8.375 1.00 0.00 C ATOM 1407 C PRO B 16 3.515 -9.844 -8.985 1.00 0.00 C ATOM 1408 O PRO B 16 3.702 -9.825 -10.206 1.00 0.00 O ATOM 1409 CB PRO B 16 1.440 -10.807 -8.010 1.00 0.00 C ATOM 1410 CG PRO B 16 0.410 -11.002 -9.074 1.00 0.00 C ATOM 1411 CD PRO B 16 0.091 -9.639 -9.616 1.00 0.00 C ATOM 0 HA PRO B 16 2.387 -8.878 -7.516 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.128 -11.652 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO B 16 0.977 -10.729 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.786 -11.654 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -0.483 -11.476 -8.667 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.109 -9.671 -10.687 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.793 -9.215 -9.139 1.00 0.00 H new ATOM 1419 N LEU B 17 4.414 -10.183 -8.108 1.00 0.00 N ATOM 1420 CA LEU B 17 5.764 -10.544 -8.463 1.00 0.00 C ATOM 1421 C LEU B 17 6.089 -11.862 -7.796 1.00 0.00 C ATOM 1422 O LEU B 17 6.957 -12.617 -8.235 1.00 0.00 O ATOM 1423 CB LEU B 17 6.699 -9.422 -8.007 1.00 0.00 C ATOM 1424 CG LEU B 17 6.196 -8.029 -8.394 1.00 0.00 C ATOM 1425 CD1 LEU B 17 6.982 -6.932 -7.713 1.00 0.00 C ATOM 1426 CD2 LEU B 17 6.240 -7.854 -9.898 1.00 0.00 C ATOM 0 H LEU B 17 4.230 -10.218 -7.105 1.00 0.00 H new ATOM 0 HA LEU B 17 5.885 -10.667 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.816 -9.472 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.686 -9.580 -8.442 1.00 0.00 H new ATOM 0 HG LEU B 17 5.164 -7.948 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.590 -5.961 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.892 -7.037 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.031 -7.005 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.880 -6.859 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.265 -7.972 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.607 -8.605 -10.370 1.00 0.00 H new ATOM 1438 N GLN B 18 5.345 -12.128 -6.735 1.00 0.00 N ATOM 1439 CA GLN B 18 5.339 -13.422 -6.102 1.00 0.00 C ATOM 1440 C GLN B 18 4.156 -14.201 -6.642 1.00 0.00 C ATOM 1441 O GLN B 18 3.104 -13.615 -6.907 1.00 0.00 O ATOM 1442 CB GLN B 18 5.224 -13.267 -4.585 1.00 0.00 C ATOM 1443 CG GLN B 18 5.115 -14.587 -3.846 1.00 0.00 C ATOM 1444 CD GLN B 18 5.023 -14.418 -2.340 1.00 0.00 C ATOM 1445 OE1 GLN B 18 4.438 -13.315 -1.905 1.00 0.00 O flip ATOM 1446 NE2 GLN B 18 5.460 -15.280 -1.575 1.00 0.00 N flip ATOM 0 H GLN B 18 4.729 -11.446 -6.293 1.00 0.00 H new ATOM 0 HA GLN B 18 6.267 -13.952 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.095 -12.725 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.349 -12.659 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.235 -15.124 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.982 -15.203 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.905 -16.117 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.377 -15.156 -0.566 1.00 0.00 H new ATOM 1455 N LYS B 19 4.325 -15.501 -6.817 1.00 0.00 N ATOM 1456 CA LYS B 19 3.253 -16.341 -7.328 1.00 0.00 C ATOM 1457 C LYS B 19 2.084 -16.351 -6.361 1.00 0.00 C ATOM 1458 O LYS B 19 2.258 -16.146 -5.157 1.00 0.00 O ATOM 1459 CB LYS B 19 3.739 -17.771 -7.544 1.00 0.00 C ATOM 1460 CG LYS B 19 4.828 -17.904 -8.584 1.00 0.00 C ATOM 1461 CD LYS B 19 5.227 -19.355 -8.751 1.00 0.00 C ATOM 1462 CE LYS B 19 6.391 -19.511 -9.709 1.00 0.00 C ATOM 1463 NZ LYS B 19 6.801 -20.930 -9.835 1.00 0.00 N ATOM 0 H LYS B 19 5.192 -15.998 -6.613 1.00 0.00 H new ATOM 0 HA LYS B 19 2.931 -15.928 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS B 19 4.107 -18.165 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS B 19 2.892 -18.390 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.480 -17.504 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS B 19 5.695 -17.314 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.496 -19.772 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.375 -19.927 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.112 -19.123 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.235 -18.917 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.599 -21.003 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.089 -21.292 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.002 -21.492 -10.192 1.00 0.00 H new ATOM 1477 N VAL B 20 0.903 -16.598 -6.882 1.00 0.00 N ATOM 1478 CA VAL B 20 -0.278 -16.633 -6.050 1.00 0.00 C ATOM 1479 C VAL B 20 -0.630 -18.061 -5.710 1.00 0.00 C ATOM 1480 O VAL B 20 -0.303 -19.007 -6.436 1.00 0.00 O ATOM 1481 CB VAL B 20 -1.492 -15.943 -6.708 1.00 0.00 C ATOM 1482 CG1 VAL B 20 -2.141 -16.824 -7.768 1.00 0.00 C ATOM 1483 CG2 VAL B 20 -2.502 -15.487 -5.671 1.00 0.00 C ATOM 0 H VAL B 20 0.735 -16.777 -7.872 1.00 0.00 H new ATOM 0 HA VAL B 20 -0.041 -16.078 -5.142 1.00 0.00 H new ATOM 0 HB VAL B 20 -1.118 -15.054 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -2.991 -16.300 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -1.414 -17.051 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -2.483 -17.752 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -3.343 -15.006 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.859 -16.349 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -2.030 -14.779 -4.990 1.00 0.00 H new ATOM 1493 N ASP B 21 -1.288 -18.190 -4.595 1.00 0.00 N ATOM 1494 CA ASP B 21 -1.728 -19.472 -4.093 1.00 0.00 C ATOM 1495 C ASP B 21 -3.217 -19.383 -3.830 1.00 0.00 C ATOM 1496 O ASP B 21 -3.834 -20.252 -3.207 1.00 0.00 O ATOM 1497 CB ASP B 21 -0.950 -19.790 -2.822 1.00 0.00 C ATOM 1498 CG ASP B 21 -1.165 -21.201 -2.316 1.00 0.00 C ATOM 1499 OD1 ASP B 21 -0.794 -22.159 -3.032 1.00 0.00 O ATOM 1500 OD2 ASP B 21 -1.667 -21.359 -1.188 1.00 0.00 O ATOM 0 H ASP B 21 -1.540 -17.403 -3.997 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.546 -20.272 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP B 21 0.113 -19.638 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.240 -19.085 -2.043 1.00 0.00 H new ATOM 1505 N LEU B 22 -3.786 -18.318 -4.364 1.00 0.00 N ATOM 1506 CA LEU B 22 -5.175 -17.989 -4.150 1.00 0.00 C ATOM 1507 C LEU B 22 -5.980 -18.278 -5.408 1.00 0.00 C ATOM 1508 O LEU B 22 -5.461 -18.877 -6.354 1.00 0.00 O ATOM 1509 CB LEU B 22 -5.285 -16.514 -3.788 1.00 0.00 C ATOM 1510 CG LEU B 22 -4.320 -16.035 -2.700 1.00 0.00 C ATOM 1511 CD1 LEU B 22 -4.551 -14.563 -2.397 1.00 0.00 C ATOM 1512 CD2 LEU B 22 -4.462 -16.873 -1.436 1.00 0.00 C ATOM 0 H LEU B 22 -3.291 -17.656 -4.961 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.573 -18.596 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.115 -15.922 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.305 -16.312 -3.461 1.00 0.00 H new ATOM 0 HG LEU B 22 -3.302 -16.157 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -3.857 -14.238 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.387 -13.975 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.575 -14.419 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.765 -16.512 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.481 -16.792 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.241 -17.916 -1.664 1.00 0.00 H new ATOM 1524 N LYS B 23 -7.232 -17.839 -5.434 1.00 0.00 N ATOM 1525 CA LYS B 23 -8.073 -18.074 -6.582 1.00 0.00 C ATOM 1526 C LYS B 23 -8.547 -16.765 -7.183 1.00 0.00 C ATOM 1527 O LYS B 23 -8.495 -15.719 -6.543 1.00 0.00 O ATOM 1528 CB LYS B 23 -9.265 -18.948 -6.198 1.00 0.00 C ATOM 1529 CG LYS B 23 -10.165 -18.338 -5.142 1.00 0.00 C ATOM 1530 CD LYS B 23 -11.387 -19.201 -4.890 1.00 0.00 C ATOM 1531 CE LYS B 23 -12.318 -18.563 -3.872 1.00 0.00 C ATOM 1532 NZ LYS B 23 -13.533 -19.388 -3.644 1.00 0.00 N ATOM 0 H LYS B 23 -7.677 -17.323 -4.675 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.484 -18.598 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.856 -19.150 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -8.896 -19.908 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.607 -18.215 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -10.479 -17.344 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.922 -19.358 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.074 -20.182 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -11.788 -18.428 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -12.611 -17.572 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -14.144 -18.921 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -14.052 -19.496 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -13.255 -20.325 -3.290 1.00 0.00 H new ATOM 1546 N GLU B 24 -8.980 -16.825 -8.429 1.00 0.00 N ATOM 1547 CA GLU B 24 -9.536 -15.675 -9.090 1.00 0.00 C ATOM 1548 C GLU B 24 -10.933 -15.404 -8.549 1.00 0.00 C ATOM 1549 O GLU B 24 -11.729 -16.322 -8.360 1.00 0.00 O ATOM 1550 CB GLU B 24 -9.548 -15.913 -10.593 1.00 0.00 C ATOM 1551 CG GLU B 24 -8.173 -16.254 -11.145 1.00 0.00 C ATOM 1552 CD GLU B 24 -8.144 -16.350 -12.652 1.00 0.00 C ATOM 1553 OE1 GLU B 24 -8.720 -17.309 -13.208 1.00 0.00 O ATOM 1554 OE2 GLU B 24 -7.535 -15.472 -13.288 1.00 0.00 O ATOM 0 H GLU B 24 -8.954 -17.669 -9.001 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.925 -14.794 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -10.238 -16.725 -10.823 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.925 -15.022 -11.095 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -7.460 -15.495 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.843 -17.202 -10.721 1.00 0.00 H new ATOM 1561 N GLY B 25 -11.204 -14.146 -8.280 1.00 0.00 N ATOM 1562 CA GLY B 25 -12.415 -13.769 -7.605 1.00 0.00 C ATOM 1563 C GLY B 25 -12.184 -13.650 -6.118 1.00 0.00 C ATOM 1564 O GLY B 25 -13.128 -13.696 -5.331 1.00 0.00 O ATOM 0 H GLY B 25 -10.594 -13.365 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.776 -12.819 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -13.191 -14.510 -7.799 1.00 0.00 H new ATOM 1568 N GLU B 26 -10.921 -13.501 -5.727 1.00 0.00 N ATOM 1569 CA GLU B 26 -10.575 -13.464 -4.305 1.00 0.00 C ATOM 1570 C GLU B 26 -10.505 -12.036 -3.764 1.00 0.00 C ATOM 1571 O GLU B 26 -10.091 -11.106 -4.466 1.00 0.00 O ATOM 1572 CB GLU B 26 -9.272 -14.230 -4.051 1.00 0.00 C ATOM 1573 CG GLU B 26 -9.500 -15.592 -3.421 1.00 0.00 C ATOM 1574 CD GLU B 26 -10.168 -15.528 -2.057 1.00 0.00 C ATOM 1575 OE1 GLU B 26 -11.307 -15.016 -1.965 1.00 0.00 O ATOM 1576 OE2 GLU B 26 -9.566 -16.002 -1.073 1.00 0.00 O ATOM 0 H GLU B 26 -10.129 -13.405 -6.363 1.00 0.00 H new ATOM 0 HA GLU B 26 -11.376 -13.961 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -8.741 -14.356 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -8.629 -13.637 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -10.115 -16.194 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -8.542 -16.103 -3.323 1.00 0.00 H new ATOM 1583 N ARG B 27 -10.916 -11.875 -2.501 1.00 0.00 N ATOM 1584 CA ARG B 27 -11.073 -10.551 -1.903 1.00 0.00 C ATOM 1585 C ARG B 27 -9.881 -10.145 -1.049 1.00 0.00 C ATOM 1586 O ARG B 27 -9.613 -10.673 0.051 1.00 0.00 O ATOM 1587 CB ARG B 27 -12.349 -10.473 -1.085 1.00 0.00 C ATOM 1588 CG ARG B 27 -13.342 -9.438 -1.600 1.00 0.00 C ATOM 1589 CD ARG B 27 -13.808 -9.743 -3.019 1.00 0.00 C ATOM 1590 NE ARG B 27 -14.655 -10.936 -3.084 1.00 0.00 N ATOM 1591 CZ ARG B 27 -15.158 -11.441 -4.214 1.00 0.00 C ATOM 1592 NH1 ARG B 27 -14.882 -10.885 -5.388 1.00 0.00 N ATOM 1593 NH2 ARG B 27 -15.927 -12.519 -4.164 1.00 0.00 N ATOM 0 H ARG B 27 -11.145 -12.648 -1.876 1.00 0.00 H new ATOM 0 HA ARG B 27 -11.133 -9.846 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.828 -11.452 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -12.094 -10.237 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -14.205 -9.403 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -12.881 -8.451 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -14.359 -8.888 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.939 -9.882 -3.662 1.00 0.00 H new ATOM 0 HE ARG B 27 -14.875 -11.412 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.280 -10.063 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.272 -11.280 -6.244 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -16.132 -12.958 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.314 -12.910 -5.023 1.00 0.00 H new ATOM 1607 N VAL B 28 -9.216 -9.146 -1.556 1.00 0.00 N ATOM 1608 CA VAL B 28 -7.968 -8.675 -0.990 1.00 0.00 C ATOM 1609 C VAL B 28 -7.981 -7.165 -0.808 1.00 0.00 C ATOM 1610 O VAL B 28 -8.794 -6.458 -1.404 1.00 0.00 O ATOM 1611 CB VAL B 28 -6.776 -9.043 -1.892 1.00 0.00 C ATOM 1612 CG1 VAL B 28 -6.636 -10.548 -2.026 1.00 0.00 C ATOM 1613 CG2 VAL B 28 -6.927 -8.395 -3.259 1.00 0.00 C ATOM 0 H VAL B 28 -9.520 -8.627 -2.379 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.860 -9.160 -0.020 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.867 -8.663 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.786 -10.779 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.476 -10.988 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.545 -10.960 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -6.077 -8.664 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.847 -8.744 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.965 -7.312 -3.146 1.00 0.00 H new ATOM 1623 N LYS B 29 -7.074 -6.680 0.017 1.00 0.00 N ATOM 1624 CA LYS B 29 -6.878 -5.271 0.188 1.00 0.00 C ATOM 1625 C LYS B 29 -5.419 -4.955 0.119 1.00 0.00 C ATOM 1626 O LYS B 29 -4.564 -5.778 0.456 1.00 0.00 O ATOM 1627 CB LYS B 29 -7.461 -4.801 1.494 1.00 0.00 C ATOM 1628 CG LYS B 29 -8.946 -4.583 1.405 1.00 0.00 C ATOM 1629 CD LYS B 29 -9.586 -4.518 2.767 1.00 0.00 C ATOM 1630 CE LYS B 29 -8.909 -3.525 3.692 1.00 0.00 C ATOM 1631 NZ LYS B 29 -9.330 -3.727 5.105 1.00 0.00 N ATOM 0 H LYS B 29 -6.456 -7.260 0.584 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.395 -4.745 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.249 -5.536 2.270 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.976 -3.872 1.793 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.145 -3.657 0.865 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.398 -5.391 0.830 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.636 -4.246 2.657 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.559 -5.508 3.223 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.827 -3.632 3.614 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.152 -2.510 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.850 -3.033 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.359 -3.601 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.075 -4.688 5.409 1.00 0.00 H new ATOM 1645 N ILE B 30 -5.144 -3.753 -0.304 1.00 0.00 N ATOM 1646 CA ILE B 30 -3.793 -3.360 -0.635 1.00 0.00 C ATOM 1647 C ILE B 30 -3.416 -2.106 0.104 1.00 0.00 C ATOM 1648 O ILE B 30 -4.223 -1.191 0.264 1.00 0.00 O ATOM 1649 CB ILE B 30 -3.599 -3.090 -2.143 1.00 0.00 C ATOM 1650 CG1 ILE B 30 -4.693 -3.752 -2.994 1.00 0.00 C ATOM 1651 CG2 ILE B 30 -2.229 -3.584 -2.573 1.00 0.00 C ATOM 1652 CD1 ILE B 30 -4.580 -5.262 -3.105 1.00 0.00 C ATOM 0 H ILE B 30 -5.841 -3.019 -0.430 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.159 -4.197 -0.344 1.00 0.00 H new ATOM 0 HB ILE B 30 -3.673 -2.015 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -5.666 -3.504 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -4.664 -3.324 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.091 -3.394 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.459 -3.059 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.152 -4.655 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -5.393 -5.643 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -3.625 -5.523 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -4.641 -5.705 -2.111 1.00 0.00 H new ATOM 1664 N LYS B 31 -2.196 -2.084 0.568 1.00 0.00 N ATOM 1665 CA LYS B 31 -1.622 -0.915 1.136 1.00 0.00 C ATOM 1666 C LYS B 31 -0.158 -0.871 0.769 1.00 0.00 C ATOM 1667 O LYS B 31 0.412 -1.874 0.319 1.00 0.00 O ATOM 1668 CB LYS B 31 -1.802 -0.884 2.632 1.00 0.00 C ATOM 1669 CG LYS B 31 -1.107 -2.001 3.357 1.00 0.00 C ATOM 1670 CD LYS B 31 -1.965 -3.246 3.466 1.00 0.00 C ATOM 1671 CE LYS B 31 -3.180 -3.017 4.354 1.00 0.00 C ATOM 1672 NZ LYS B 31 -4.033 -4.235 4.477 1.00 0.00 N ATOM 0 H LYS B 31 -1.573 -2.892 0.558 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.129 -0.036 0.738 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.431 0.068 3.012 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.867 -0.925 2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.181 -2.246 2.837 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.832 -1.665 4.357 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.293 -3.550 2.472 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -1.369 -4.065 3.869 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.849 -2.707 5.345 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.775 -2.200 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.847 -4.028 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -4.373 -4.518 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.475 -5.009 4.890 1.00 0.00 H new ATOM 1686 N LEU B 32 0.429 0.279 0.964 1.00 0.00 N ATOM 1687 CA LEU B 32 1.806 0.509 0.601 1.00 0.00 C ATOM 1688 C LEU B 32 2.675 0.273 1.813 1.00 0.00 C ATOM 1689 O LEU B 32 2.479 0.898 2.856 1.00 0.00 O ATOM 1690 CB LEU B 32 1.966 1.929 0.081 1.00 0.00 C ATOM 1691 CG LEU B 32 1.136 2.235 -1.170 1.00 0.00 C ATOM 1692 CD1 LEU B 32 0.415 3.562 -1.036 1.00 0.00 C ATOM 1693 CD2 LEU B 32 2.019 2.244 -2.409 1.00 0.00 C ATOM 0 H LEU B 32 -0.034 1.087 1.380 1.00 0.00 H new ATOM 0 HA LEU B 32 2.110 -0.177 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU B 32 1.685 2.627 0.870 1.00 0.00 H new ATOM 0 HB3 LEU B 32 3.018 2.106 -0.142 1.00 0.00 H new ATOM 0 HG LEU B 32 0.389 1.448 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.166 3.753 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.253 3.528 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU B 32 1.144 4.360 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.412 2.463 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.789 3.007 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.489 1.268 -2.528 1.00 0.00 H new ATOM 1761 N VAL B 36 11.220 0.360 8.039 1.00 0.00 N ATOM 1762 CA VAL B 36 11.496 -0.014 9.413 1.00 0.00 C ATOM 1763 C VAL B 36 12.364 1.067 10.042 1.00 0.00 C ATOM 1764 O VAL B 36 13.137 1.731 9.347 1.00 0.00 O ATOM 1765 CB VAL B 36 12.198 -1.386 9.515 1.00 0.00 C ATOM 1766 CG1 VAL B 36 13.575 -1.357 8.869 1.00 0.00 C ATOM 1767 CG2 VAL B 36 12.285 -1.854 10.964 1.00 0.00 C ATOM 0 HA VAL B 36 10.549 -0.104 9.944 1.00 0.00 H new ATOM 0 HB VAL B 36 11.590 -2.105 8.965 1.00 0.00 H new ATOM 0 HG11 VAL B 36 14.040 -2.339 8.959 1.00 0.00 H new ATOM 0 HG12 VAL B 36 13.477 -1.097 7.815 1.00 0.00 H new ATOM 0 HG13 VAL B 36 14.196 -0.614 9.369 1.00 0.00 H new ATOM 0 HG21 VAL B 36 12.784 -2.822 11.004 1.00 0.00 H new ATOM 0 HG22 VAL B 36 12.853 -1.129 11.547 1.00 0.00 H new ATOM 0 HG23 VAL B 36 11.281 -1.946 11.378 1.00 0.00 H new ATOM 1777 N GLU B 37 12.217 1.261 11.332 1.00 0.00 N ATOM 1778 CA GLU B 37 12.959 2.284 12.032 1.00 0.00 C ATOM 1779 C GLU B 37 14.246 1.708 12.612 1.00 0.00 C ATOM 1780 O GLU B 37 14.315 0.514 12.908 1.00 0.00 O ATOM 1781 CB GLU B 37 12.091 2.890 13.128 1.00 0.00 C ATOM 1782 CG GLU B 37 10.982 3.778 12.589 1.00 0.00 C ATOM 1783 CD GLU B 37 10.275 4.565 13.671 1.00 0.00 C ATOM 1784 OE1 GLU B 37 10.800 5.623 14.076 1.00 0.00 O ATOM 1785 OE2 GLU B 37 9.185 4.141 14.105 1.00 0.00 O ATOM 0 H GLU B 37 11.585 0.719 11.922 1.00 0.00 H new ATOM 0 HA GLU B 37 13.232 3.071 11.329 1.00 0.00 H new ATOM 0 HB2 GLU B 37 11.650 2.087 13.719 1.00 0.00 H new ATOM 0 HB3 GLU B 37 12.720 3.473 13.801 1.00 0.00 H new ATOM 0 HG2 GLU B 37 11.401 4.470 11.859 1.00 0.00 H new ATOM 0 HG3 GLU B 37 10.254 3.161 12.062 1.00 0.00 H new ATOM 1792 N PRO B 38 15.284 2.546 12.758 1.00 0.00 N ATOM 1793 CA PRO B 38 16.586 2.109 13.256 1.00 0.00 C ATOM 1794 C PRO B 38 16.544 1.639 14.702 1.00 0.00 C ATOM 1795 O PRO B 38 15.531 1.763 15.401 1.00 0.00 O ATOM 1796 CB PRO B 38 17.473 3.355 13.134 1.00 0.00 C ATOM 1797 CG PRO B 38 16.732 4.280 12.234 1.00 0.00 C ATOM 1798 CD PRO B 38 15.281 3.976 12.430 1.00 0.00 C ATOM 0 HA PRO B 38 16.950 1.252 12.689 1.00 0.00 H new ATOM 0 HB2 PRO B 38 17.647 3.811 14.109 1.00 0.00 H new ATOM 0 HB3 PRO B 38 18.450 3.103 12.721 1.00 0.00 H new ATOM 0 HG2 PRO B 38 16.949 5.320 12.480 1.00 0.00 H new ATOM 0 HG3 PRO B 38 17.025 4.130 11.195 1.00 0.00 H new ATOM 0 HD2 PRO B 38 14.849 4.573 13.233 1.00 0.00 H new ATOM 0 HD3 PRO B 38 14.700 4.182 11.531 1.00 0.00 H new ATOM 1806 N ILE B 39 17.673 1.118 15.139 1.00 0.00 N ATOM 1807 CA ILE B 39 17.810 0.569 16.469 1.00 0.00 C ATOM 1808 C ILE B 39 18.407 1.597 17.422 1.00 0.00 C ATOM 1809 O ILE B 39 18.844 2.671 17.003 1.00 0.00 O ATOM 1810 CB ILE B 39 18.701 -0.686 16.454 1.00 0.00 C ATOM 1811 CG1 ILE B 39 20.055 -0.379 15.802 1.00 0.00 C ATOM 1812 CG2 ILE B 39 17.997 -1.829 15.736 1.00 0.00 C ATOM 1813 CD1 ILE B 39 21.034 -1.537 15.852 1.00 0.00 C ATOM 0 H ILE B 39 18.523 1.064 14.578 1.00 0.00 H new ATOM 0 HA ILE B 39 16.813 0.297 16.816 1.00 0.00 H new ATOM 0 HB ILE B 39 18.885 -0.993 17.483 1.00 0.00 H new ATOM 0 HG12 ILE B 39 19.892 -0.098 14.762 1.00 0.00 H new ATOM 0 HG13 ILE B 39 20.500 0.483 16.299 1.00 0.00 H new ATOM 0 HG21 ILE B 39 18.640 -2.709 15.734 1.00 0.00 H new ATOM 0 HG22 ILE B 39 17.065 -2.062 16.250 1.00 0.00 H new ATOM 0 HG23 ILE B 39 17.781 -1.535 14.709 1.00 0.00 H new ATOM 0 HD11 ILE B 39 21.968 -1.245 15.372 1.00 0.00 H new ATOM 0 HD12 ILE B 39 21.228 -1.805 16.891 1.00 0.00 H new ATOM 0 HD13 ILE B 39 20.610 -2.395 15.329 1.00 0.00 H new ATOM 1825 N ASP B 40 18.428 1.256 18.698 1.00 0.00 N ATOM 1826 CA ASP B 40 18.981 2.133 19.716 1.00 0.00 C ATOM 1827 C ASP B 40 20.487 1.940 19.831 1.00 0.00 C ATOM 1828 O ASP B 40 20.977 0.812 19.851 1.00 0.00 O ATOM 1829 CB ASP B 40 18.309 1.868 21.067 1.00 0.00 C ATOM 1830 CG ASP B 40 18.964 2.630 22.205 1.00 0.00 C ATOM 1831 OD1 ASP B 40 18.872 3.876 22.227 1.00 0.00 O ATOM 1832 OD2 ASP B 40 19.567 1.982 23.091 1.00 0.00 O ATOM 0 H ASP B 40 18.066 0.372 19.056 1.00 0.00 H new ATOM 0 HA ASP B 40 18.787 3.165 19.423 1.00 0.00 H new ATOM 0 HB2 ASP B 40 17.257 2.147 21.006 1.00 0.00 H new ATOM 0 HB3 ASP B 40 18.344 0.800 21.282 1.00 0.00 H new ATOM 1837 N LEU B 41 21.217 3.044 19.886 1.00 0.00 N ATOM 1838 CA LEU B 41 22.663 3.002 20.032 1.00 0.00 C ATOM 1839 C LEU B 41 23.125 4.041 21.047 1.00 0.00 C ATOM 1840 O LEU B 41 22.335 4.882 21.483 1.00 0.00 O ATOM 1841 CB LEU B 41 23.353 3.194 18.668 1.00 0.00 C ATOM 1842 CG LEU B 41 22.729 4.239 17.730 1.00 0.00 C ATOM 1843 CD1 LEU B 41 22.994 5.655 18.218 1.00 0.00 C ATOM 1844 CD2 LEU B 41 23.257 4.057 16.314 1.00 0.00 C ATOM 0 H LEU B 41 20.828 3.985 19.831 1.00 0.00 H new ATOM 0 HA LEU B 41 22.949 2.020 20.408 1.00 0.00 H new ATOM 0 HB2 LEU B 41 24.392 3.471 18.846 1.00 0.00 H new ATOM 0 HB3 LEU B 41 23.364 2.234 18.152 1.00 0.00 H new ATOM 0 HG LEU B 41 21.650 4.086 17.729 1.00 0.00 H new ATOM 0 HD11 LEU B 41 22.538 6.368 17.531 1.00 0.00 H new ATOM 0 HD12 LEU B 41 22.565 5.784 19.212 1.00 0.00 H new ATOM 0 HD13 LEU B 41 24.069 5.830 18.262 1.00 0.00 H new ATOM 0 HD21 LEU B 41 22.807 4.803 15.659 1.00 0.00 H new ATOM 0 HD22 LEU B 41 24.340 4.178 16.311 1.00 0.00 H new ATOM 0 HD23 LEU B 41 23.002 3.060 15.956 1.00 0.00 H new ATOM 1856 N GLY B 42 24.387 3.972 21.436 1.00 0.00 N ATOM 1857 CA GLY B 42 24.886 4.855 22.462 1.00 0.00 C ATOM 1858 C GLY B 42 25.447 6.148 21.911 1.00 0.00 C ATOM 1859 O GLY B 42 24.980 6.662 20.892 1.00 0.00 O ATOM 0 H GLY B 42 25.074 3.319 21.058 1.00 0.00 H new ATOM 0 HA2 GLY B 42 24.080 5.084 23.160 1.00 0.00 H new ATOM 0 HA3 GLY B 42 25.662 4.341 23.029 1.00 0.00 H new ATOM 1863 N GLU B 43 26.465 6.652 22.580 1.00 0.00 N ATOM 1864 CA GLU B 43 27.045 7.950 22.266 1.00 0.00 C ATOM 1865 C GLU B 43 28.222 7.818 21.303 1.00 0.00 C ATOM 1866 O GLU B 43 28.994 6.859 21.370 1.00 0.00 O ATOM 1867 CB GLU B 43 27.507 8.669 23.549 1.00 0.00 C ATOM 1868 CG GLU B 43 27.364 7.861 24.838 1.00 0.00 C ATOM 1869 CD GLU B 43 28.266 6.641 24.893 1.00 0.00 C ATOM 1870 OE1 GLU B 43 29.471 6.798 25.171 1.00 0.00 O ATOM 1871 OE2 GLU B 43 27.766 5.519 24.655 1.00 0.00 O ATOM 0 H GLU B 43 26.917 6.174 23.360 1.00 0.00 H new ATOM 0 HA GLU B 43 26.267 8.542 21.784 1.00 0.00 H new ATOM 0 HB2 GLU B 43 28.553 8.951 23.431 1.00 0.00 H new ATOM 0 HB3 GLU B 43 26.937 9.592 23.653 1.00 0.00 H new ATOM 0 HG2 GLU B 43 27.587 8.506 25.688 1.00 0.00 H new ATOM 0 HG3 GLU B 43 26.327 7.541 24.944 1.00 0.00 H new ATOM 1878 N PRO B 44 28.359 8.774 20.376 1.00 0.00 N ATOM 1879 CA PRO B 44 29.490 8.830 19.455 1.00 0.00 C ATOM 1880 C PRO B 44 30.737 9.388 20.133 1.00 0.00 C ATOM 1881 O PRO B 44 30.687 10.436 20.780 1.00 0.00 O ATOM 1882 CB PRO B 44 29.015 9.775 18.337 1.00 0.00 C ATOM 1883 CG PRO B 44 27.593 10.117 18.659 1.00 0.00 C ATOM 1884 CD PRO B 44 27.414 9.866 20.127 1.00 0.00 C ATOM 0 HA PRO B 44 29.769 7.842 19.089 1.00 0.00 H new ATOM 0 HB2 PRO B 44 29.632 10.672 18.297 1.00 0.00 H new ATOM 0 HB3 PRO B 44 29.089 9.293 17.362 1.00 0.00 H new ATOM 0 HG2 PRO B 44 27.380 11.158 18.415 1.00 0.00 H new ATOM 0 HG3 PRO B 44 26.905 9.505 18.075 1.00 0.00 H new ATOM 0 HD2 PRO B 44 27.648 10.749 20.722 1.00 0.00 H new ATOM 0 HD3 PRO B 44 26.390 9.581 20.369 1.00 0.00 H new ATOM 1892 N VAL B 45 31.854 8.691 19.987 1.00 0.00 N ATOM 1893 CA VAL B 45 33.096 9.116 20.619 1.00 0.00 C ATOM 1894 C VAL B 45 33.710 10.306 19.895 1.00 0.00 C ATOM 1895 O VAL B 45 33.630 10.424 18.670 1.00 0.00 O ATOM 1896 CB VAL B 45 34.113 7.962 20.711 1.00 0.00 C ATOM 1897 CG1 VAL B 45 34.232 7.236 19.380 1.00 0.00 C ATOM 1898 CG2 VAL B 45 35.478 8.440 21.188 1.00 0.00 C ATOM 0 H VAL B 45 31.927 7.833 19.440 1.00 0.00 H new ATOM 0 HA VAL B 45 32.844 9.425 21.633 1.00 0.00 H new ATOM 0 HB VAL B 45 33.736 7.261 21.456 1.00 0.00 H new ATOM 0 HG11 VAL B 45 34.956 6.426 19.471 1.00 0.00 H new ATOM 0 HG12 VAL B 45 33.261 6.826 19.101 1.00 0.00 H new ATOM 0 HG13 VAL B 45 34.564 7.935 18.613 1.00 0.00 H new ATOM 0 HG21 VAL B 45 36.163 7.594 21.238 1.00 0.00 H new ATOM 0 HG22 VAL B 45 35.868 9.182 20.491 1.00 0.00 H new ATOM 0 HG23 VAL B 45 35.382 8.887 22.177 1.00 0.00 H new ATOM 1908 N SER B 46 34.313 11.178 20.674 1.00 0.00 N ATOM 1909 CA SER B 46 34.890 12.406 20.169 1.00 0.00 C ATOM 1910 C SER B 46 36.413 12.303 20.118 1.00 0.00 C ATOM 1911 O SER B 46 36.994 11.348 20.629 1.00 0.00 O ATOM 1912 CB SER B 46 34.480 13.562 21.075 1.00 0.00 C ATOM 1913 OG SER B 46 33.072 13.581 21.283 1.00 0.00 O ATOM 0 H SER B 46 34.418 11.055 21.681 1.00 0.00 H new ATOM 0 HA SER B 46 34.523 12.581 19.158 1.00 0.00 H new ATOM 0 HB2 SER B 46 34.990 13.474 22.034 1.00 0.00 H new ATOM 0 HB3 SER B 46 34.797 14.505 20.631 1.00 0.00 H new ATOM 0 HG SER B 46 32.838 14.331 21.869 1.00 0.00 H new ATOM 1919 N VAL B 47 37.049 13.292 19.503 1.00 0.00 N ATOM 1920 CA VAL B 47 38.497 13.327 19.408 1.00 0.00 C ATOM 1921 C VAL B 47 39.012 14.731 19.720 1.00 0.00 C ATOM 1922 O VAL B 47 38.320 15.721 19.464 1.00 0.00 O ATOM 1923 CB VAL B 47 38.962 12.892 18.000 1.00 0.00 C ATOM 1924 CG1 VAL B 47 38.577 13.916 16.942 1.00 0.00 C ATOM 1925 CG2 VAL B 47 40.460 12.618 17.979 1.00 0.00 C ATOM 0 H VAL B 47 36.579 14.083 19.062 1.00 0.00 H new ATOM 0 HA VAL B 47 38.906 12.629 20.138 1.00 0.00 H new ATOM 0 HB VAL B 47 38.446 11.963 17.757 1.00 0.00 H new ATOM 0 HG11 VAL B 47 38.920 13.576 15.965 1.00 0.00 H new ATOM 0 HG12 VAL B 47 37.493 14.032 16.926 1.00 0.00 H new ATOM 0 HG13 VAL B 47 39.041 14.874 17.177 1.00 0.00 H new ATOM 0 HG21 VAL B 47 40.760 12.314 16.976 1.00 0.00 H new ATOM 0 HG22 VAL B 47 40.999 13.522 18.260 1.00 0.00 H new ATOM 0 HG23 VAL B 47 40.694 11.821 18.685 1.00 0.00 H new ATOM 1935 N GLU B 48 40.202 14.815 20.298 1.00 0.00 N ATOM 1936 CA GLU B 48 40.811 16.106 20.596 1.00 0.00 C ATOM 1937 C GLU B 48 41.562 16.647 19.392 1.00 0.00 C ATOM 1938 O GLU B 48 42.413 15.973 18.812 1.00 0.00 O ATOM 1939 CB GLU B 48 41.755 16.005 21.785 1.00 0.00 C ATOM 1940 CG GLU B 48 41.044 15.809 23.113 1.00 0.00 C ATOM 1941 CD GLU B 48 40.290 17.051 23.549 1.00 0.00 C ATOM 1942 OE1 GLU B 48 39.151 17.268 23.082 1.00 0.00 O ATOM 1943 OE2 GLU B 48 40.843 17.829 24.359 1.00 0.00 O ATOM 0 H GLU B 48 40.764 14.008 20.570 1.00 0.00 H new ATOM 0 HA GLU B 48 40.004 16.795 20.846 1.00 0.00 H new ATOM 0 HB2 GLU B 48 42.441 15.173 21.624 1.00 0.00 H new ATOM 0 HB3 GLU B 48 42.359 16.911 21.836 1.00 0.00 H new ATOM 0 HG2 GLU B 48 40.348 14.974 23.031 1.00 0.00 H new ATOM 0 HG3 GLU B 48 41.773 15.542 23.878 1.00 0.00 H new ATOM 1950 N GLU B 49 41.248 17.876 19.044 1.00 0.00 N ATOM 1951 CA GLU B 49 41.843 18.532 17.885 1.00 0.00 C ATOM 1952 C GLU B 49 43.177 19.176 18.259 1.00 0.00 C ATOM 1953 O GLU B 49 44.060 19.355 17.419 1.00 0.00 O ATOM 1954 CB GLU B 49 40.876 19.575 17.324 1.00 0.00 C ATOM 1955 CG GLU B 49 41.316 20.176 16.002 1.00 0.00 C ATOM 1956 CD GLU B 49 40.306 21.162 15.454 1.00 0.00 C ATOM 1957 OE1 GLU B 49 40.326 22.336 15.872 1.00 0.00 O ATOM 1958 OE2 GLU B 49 39.485 20.763 14.600 1.00 0.00 O ATOM 0 H GLU B 49 40.576 18.453 19.550 1.00 0.00 H new ATOM 0 HA GLU B 49 42.034 17.784 17.116 1.00 0.00 H new ATOM 0 HB2 GLU B 49 39.897 19.115 17.194 1.00 0.00 H new ATOM 0 HB3 GLU B 49 40.758 20.376 18.054 1.00 0.00 H new ATOM 0 HG2 GLU B 49 42.275 20.677 16.135 1.00 0.00 H new ATOM 0 HG3 GLU B 49 41.472 19.378 15.276 1.00 0.00 H new ATOM 1965 N ILE B 50 43.315 19.495 19.541 1.00 0.00 N ATOM 1966 CA ILE B 50 44.499 20.183 20.062 1.00 0.00 C ATOM 1967 C ILE B 50 45.719 19.251 20.088 1.00 0.00 C ATOM 1968 O ILE B 50 46.840 19.665 20.394 1.00 0.00 O ATOM 1969 CB ILE B 50 44.225 20.734 21.485 1.00 0.00 C ATOM 1970 CG1 ILE B 50 45.315 21.723 21.908 1.00 0.00 C ATOM 1971 CG2 ILE B 50 44.124 19.588 22.489 1.00 0.00 C ATOM 1972 CD1 ILE B 50 45.069 22.358 23.261 1.00 0.00 C ATOM 0 H ILE B 50 42.613 19.286 20.250 1.00 0.00 H new ATOM 0 HA ILE B 50 44.719 21.015 19.393 1.00 0.00 H new ATOM 0 HB ILE B 50 43.274 21.266 21.467 1.00 0.00 H new ATOM 0 HG12 ILE B 50 46.274 21.206 21.928 1.00 0.00 H new ATOM 0 HG13 ILE B 50 45.392 22.509 21.156 1.00 0.00 H new ATOM 0 HG21 ILE B 50 43.931 19.991 23.483 1.00 0.00 H new ATOM 0 HG22 ILE B 50 43.308 18.924 22.202 1.00 0.00 H new ATOM 0 HG23 ILE B 50 45.060 19.029 22.499 1.00 0.00 H new ATOM 0 HD11 ILE B 50 45.882 23.046 23.493 1.00 0.00 H new ATOM 0 HD12 ILE B 50 44.126 22.904 23.241 1.00 0.00 H new ATOM 0 HD13 ILE B 50 45.022 21.581 24.024 1.00 0.00 H new ATOM 2090 N THR B 57 60.454 10.796 22.208 1.00 0.00 N ATOM 2091 CA THR B 57 61.767 11.308 22.544 1.00 0.00 C ATOM 2092 C THR B 57 62.804 10.194 22.521 1.00 0.00 C ATOM 2093 O THR B 57 62.522 9.049 22.886 1.00 0.00 O ATOM 2094 CB THR B 57 61.767 12.007 23.920 1.00 0.00 C ATOM 2095 OG1 THR B 57 63.073 12.512 24.229 1.00 0.00 O ATOM 2096 CG2 THR B 57 61.306 11.069 25.026 1.00 0.00 C ATOM 0 HA THR B 57 62.031 12.049 21.789 1.00 0.00 H new ATOM 0 HB THR B 57 61.063 12.837 23.861 1.00 0.00 H new ATOM 0 HG1 THR B 57 63.055 12.953 25.104 1.00 0.00 H new ATOM 0 HG21 THR B 57 61.319 11.597 25.980 1.00 0.00 H new ATOM 0 HG22 THR B 57 60.293 10.727 24.814 1.00 0.00 H new ATOM 0 HG23 THR B 57 61.975 10.210 25.077 1.00 0.00 H new ATOM 2104 N TRP B 58 63.993 10.536 22.058 1.00 0.00 N ATOM 2105 CA TRP B 58 65.091 9.592 21.986 1.00 0.00 C ATOM 2106 C TRP B 58 66.420 10.331 21.970 1.00 0.00 C ATOM 2107 O TRP B 58 66.578 11.324 21.257 1.00 0.00 O ATOM 2108 CB TRP B 58 64.956 8.733 20.733 1.00 0.00 C ATOM 2109 CG TRP B 58 65.922 7.586 20.695 1.00 0.00 C ATOM 2110 CD1 TRP B 58 66.929 7.393 19.795 1.00 0.00 C ATOM 2111 CD2 TRP B 58 65.974 6.479 21.600 1.00 0.00 C ATOM 2112 NE1 TRP B 58 67.601 6.231 20.084 1.00 0.00 N ATOM 2113 CE2 TRP B 58 67.039 5.653 21.191 1.00 0.00 C ATOM 2114 CE3 TRP B 58 65.227 6.110 22.721 1.00 0.00 C ATOM 2115 CZ2 TRP B 58 67.366 4.481 21.863 1.00 0.00 C ATOM 2116 CZ3 TRP B 58 65.554 4.948 23.385 1.00 0.00 C ATOM 2117 CH2 TRP B 58 66.618 4.146 22.958 1.00 0.00 C ATOM 0 H TRP B 58 64.223 11.472 21.723 1.00 0.00 H new ATOM 0 HA TRP B 58 65.059 8.948 22.865 1.00 0.00 H new ATOM 0 HB2 TRP B 58 63.939 8.345 20.674 1.00 0.00 H new ATOM 0 HB3 TRP B 58 65.110 9.358 19.854 1.00 0.00 H new ATOM 0 HD1 TRP B 58 67.163 8.057 18.976 1.00 0.00 H new ATOM 0 HE1 TRP B 58 68.392 5.858 19.559 1.00 0.00 H new ATOM 0 HE3 TRP B 58 64.407 6.725 23.061 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 68.183 3.856 21.532 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 64.979 4.651 24.250 1.00 0.00 H new ATOM 0 HH2 TRP B 58 66.853 3.244 23.504 1.00 0.00 H new ATOM 2128 N MET B 59 67.365 9.845 22.755 1.00 0.00 N ATOM 2129 CA MET B 59 68.678 10.463 22.835 1.00 0.00 C ATOM 2130 C MET B 59 69.742 9.515 22.301 1.00 0.00 C ATOM 2131 O MET B 59 69.470 8.342 22.051 1.00 0.00 O ATOM 2132 CB MET B 59 69.005 10.853 24.279 1.00 0.00 C ATOM 2133 CG MET B 59 69.084 9.671 25.235 1.00 0.00 C ATOM 2134 SD MET B 59 69.587 10.152 26.896 1.00 0.00 S ATOM 2135 CE MET B 59 71.231 10.794 26.574 1.00 0.00 C ATOM 0 H MET B 59 67.248 9.023 23.347 1.00 0.00 H new ATOM 0 HA MET B 59 68.667 11.366 22.224 1.00 0.00 H new ATOM 0 HB2 MET B 59 69.957 11.384 24.295 1.00 0.00 H new ATOM 0 HB3 MET B 59 68.246 11.548 24.638 1.00 0.00 H new ATOM 0 HG2 MET B 59 68.111 9.181 25.282 1.00 0.00 H new ATOM 0 HG3 MET B 59 69.791 8.939 24.844 1.00 0.00 H new ATOM 0 HE1 MET B 59 71.910 10.468 27.362 1.00 0.00 H new ATOM 0 HE2 MET B 59 71.585 10.421 25.613 1.00 0.00 H new ATOM 0 HE3 MET B 59 71.198 11.883 26.551 1.00 0.00 H new ATOM 2145 N SER B 60 70.951 10.022 22.142 1.00 0.00 N ATOM 2146 CA SER B 60 72.056 9.228 21.635 1.00 0.00 C ATOM 2147 C SER B 60 73.360 9.731 22.248 1.00 0.00 C ATOM 2148 O SER B 60 73.344 10.614 23.105 1.00 0.00 O ATOM 2149 CB SER B 60 72.100 9.313 20.102 1.00 0.00 C ATOM 2150 OG SER B 60 73.108 8.473 19.560 1.00 0.00 O ATOM 0 H SER B 60 71.194 10.989 22.359 1.00 0.00 H new ATOM 0 HA SER B 60 71.919 8.183 21.912 1.00 0.00 H new ATOM 0 HB2 SER B 60 71.130 9.029 19.693 1.00 0.00 H new ATOM 0 HB3 SER B 60 72.283 10.344 19.799 1.00 0.00 H new ATOM 0 HG SER B 60 73.096 7.608 20.021 1.00 0.00 H new ATOM 2156 N SER B 61 74.478 9.184 21.793 1.00 0.00 N ATOM 2157 CA SER B 61 75.789 9.555 22.312 1.00 0.00 C ATOM 2158 C SER B 61 76.329 10.795 21.593 1.00 0.00 C ATOM 2159 O SER B 61 77.470 11.209 21.821 1.00 0.00 O ATOM 2160 CB SER B 61 76.753 8.381 22.145 1.00 0.00 C ATOM 2161 OG SER B 61 76.202 7.197 22.696 1.00 0.00 O ATOM 0 H SER B 61 74.504 8.476 21.059 1.00 0.00 H new ATOM 0 HA SER B 61 75.694 9.796 23.371 1.00 0.00 H new ATOM 0 HB2 SER B 61 76.969 8.229 21.087 1.00 0.00 H new ATOM 0 HB3 SER B 61 77.700 8.609 22.634 1.00 0.00 H new ATOM 0 HG SER B 61 76.833 6.457 22.578 1.00 0.00 H new ATOM 2167 N LEU B 62 75.484 11.375 20.738 1.00 0.00 N ATOM 2168 CA LEU B 62 75.820 12.555 19.959 1.00 0.00 C ATOM 2169 C LEU B 62 77.002 12.288 19.028 1.00 0.00 C ATOM 2170 O LEU B 62 77.370 11.134 18.789 1.00 0.00 O ATOM 2171 CB LEU B 62 76.115 13.731 20.886 1.00 0.00 C ATOM 2172 CG LEU B 62 74.976 14.116 21.837 1.00 0.00 C ATOM 2173 CD1 LEU B 62 75.413 15.239 22.765 1.00 0.00 C ATOM 2174 CD2 LEU B 62 73.741 14.532 21.049 1.00 0.00 C ATOM 0 H LEU B 62 74.539 11.030 20.570 1.00 0.00 H new ATOM 0 HA LEU B 62 74.962 12.807 19.336 1.00 0.00 H new ATOM 0 HB2 LEU B 62 76.997 13.492 21.480 1.00 0.00 H new ATOM 0 HB3 LEU B 62 76.367 14.599 20.276 1.00 0.00 H new ATOM 0 HG LEU B 62 74.725 13.245 22.442 1.00 0.00 H new ATOM 0 HD11 LEU B 62 74.592 15.499 23.433 1.00 0.00 H new ATOM 0 HD12 LEU B 62 76.270 14.912 23.354 1.00 0.00 H new ATOM 0 HD13 LEU B 62 75.691 16.112 22.174 1.00 0.00 H new ATOM 0 HD21 LEU B 62 72.942 14.802 21.740 1.00 0.00 H new ATOM 0 HD22 LEU B 62 73.982 15.389 20.420 1.00 0.00 H new ATOM 0 HD23 LEU B 62 73.413 13.703 20.422 1.00 0.00 H new ATOM 2186 N GLU B 63 77.574 13.348 18.482 1.00 0.00 N ATOM 2187 CA GLU B 63 78.710 13.211 17.591 1.00 0.00 C ATOM 2188 C GLU B 63 80.001 13.497 18.343 1.00 0.00 C ATOM 2189 O GLU B 63 80.035 14.336 19.243 1.00 0.00 O ATOM 2190 CB GLU B 63 78.569 14.144 16.385 1.00 0.00 C ATOM 2191 CG GLU B 63 79.649 13.943 15.333 1.00 0.00 C ATOM 2192 CD GLU B 63 79.786 12.494 14.915 1.00 0.00 C ATOM 2193 OE1 GLU B 63 79.009 12.045 14.055 1.00 0.00 O ATOM 2194 OE2 GLU B 63 80.665 11.794 15.463 1.00 0.00 O ATOM 0 H GLU B 63 77.271 14.309 18.640 1.00 0.00 H new ATOM 0 HA GLU B 63 78.741 12.186 17.222 1.00 0.00 H new ATOM 0 HB2 GLU B 63 77.593 13.987 15.927 1.00 0.00 H new ATOM 0 HB3 GLU B 63 78.597 15.178 16.730 1.00 0.00 H new ATOM 0 HG2 GLU B 63 79.417 14.550 14.458 1.00 0.00 H new ATOM 0 HG3 GLU B 63 80.603 14.297 15.723 1.00 0.00 H new ATOM 2201 N HIS B 64 81.051 12.783 17.969 1.00 0.00 N ATOM 2202 CA HIS B 64 82.349 12.902 18.613 1.00 0.00 C ATOM 2203 C HIS B 64 83.409 12.185 17.779 1.00 0.00 C ATOM 2204 O HIS B 64 83.400 10.962 17.664 1.00 0.00 O ATOM 2205 CB HIS B 64 82.317 12.343 20.051 1.00 0.00 C ATOM 2206 CG HIS B 64 81.768 10.951 20.172 1.00 0.00 C ATOM 2207 ND1 HIS B 64 82.565 9.834 20.254 1.00 0.00 N ATOM 2208 CD2 HIS B 64 80.492 10.503 20.227 1.00 0.00 C ATOM 2209 CE1 HIS B 64 81.807 8.759 20.350 1.00 0.00 C ATOM 2210 NE2 HIS B 64 80.542 9.136 20.338 1.00 0.00 N ATOM 0 H HIS B 64 81.027 12.103 17.209 1.00 0.00 H new ATOM 0 HA HIS B 64 82.603 13.960 18.679 1.00 0.00 H new ATOM 0 HB2 HIS B 64 83.330 12.355 20.454 1.00 0.00 H new ATOM 0 HB3 HIS B 64 81.719 13.010 20.672 1.00 0.00 H new ATOM 0 HD2 HIS B 64 79.599 11.109 20.190 1.00 0.00 H new ATOM 0 HE1 HIS B 64 82.162 7.742 20.426 1.00 0.00 H new ATOM 0 HE2 HIS B 64 79.736 8.515 20.401 1.00 0.00 H new ATOM 2219 N HIS B 65 84.298 12.947 17.167 1.00 0.00 N ATOM 2220 CA HIS B 65 85.362 12.365 16.361 1.00 0.00 C ATOM 2221 C HIS B 65 86.711 12.630 17.013 1.00 0.00 C ATOM 2222 O HIS B 65 86.994 13.753 17.430 1.00 0.00 O ATOM 2223 CB HIS B 65 85.324 12.903 14.918 1.00 0.00 C ATOM 2224 CG HIS B 65 85.609 14.370 14.770 1.00 0.00 C ATOM 2225 ND1 HIS B 65 84.662 15.353 14.969 1.00 0.00 N ATOM 2226 CD2 HIS B 65 86.745 15.014 14.413 1.00 0.00 C ATOM 2227 CE1 HIS B 65 85.203 16.534 14.737 1.00 0.00 C ATOM 2228 NE2 HIS B 65 86.466 16.356 14.398 1.00 0.00 N ATOM 0 H HIS B 65 84.307 13.966 17.211 1.00 0.00 H new ATOM 0 HA HIS B 65 85.209 11.287 16.308 1.00 0.00 H new ATOM 0 HB2 HIS B 65 86.048 12.348 14.322 1.00 0.00 H new ATOM 0 HB3 HIS B 65 84.340 12.697 14.497 1.00 0.00 H new ATOM 0 HD2 HIS B 65 87.695 14.555 14.183 1.00 0.00 H new ATOM 0 HE1 HIS B 65 84.698 17.486 14.812 1.00 0.00 H new ATOM 0 HE2 HIS B 65 87.127 17.097 14.163 1.00 0.00 H new ATOM 2237 N HIS B 66 87.531 11.594 17.112 1.00 0.00 N ATOM 2238 CA HIS B 66 88.813 11.707 17.780 1.00 0.00 C ATOM 2239 C HIS B 66 89.773 10.612 17.324 1.00 0.00 C ATOM 2240 O HIS B 66 89.691 9.474 17.785 1.00 0.00 O ATOM 2241 CB HIS B 66 88.627 11.644 19.299 1.00 0.00 C ATOM 2242 CG HIS B 66 89.913 11.721 20.064 1.00 0.00 C ATOM 2243 ND1 HIS B 66 90.449 10.654 20.756 1.00 0.00 N ATOM 2244 CD2 HIS B 66 90.779 12.747 20.237 1.00 0.00 C ATOM 2245 CE1 HIS B 66 91.584 11.021 21.321 1.00 0.00 C ATOM 2246 NE2 HIS B 66 91.806 12.288 21.022 1.00 0.00 N ATOM 0 H HIS B 66 87.329 10.667 16.737 1.00 0.00 H new ATOM 0 HA HIS B 66 89.247 12.671 17.513 1.00 0.00 H new ATOM 0 HB2 HIS B 66 87.978 12.462 19.612 1.00 0.00 H new ATOM 0 HB3 HIS B 66 88.116 10.716 19.556 1.00 0.00 H new ATOM 0 HD2 HIS B 66 90.680 13.743 19.832 1.00 0.00 H new ATOM 0 HE1 HIS B 66 92.222 10.393 21.925 1.00 0.00 H new ATOM 0 HE2 HIS B 66 92.611 12.836 21.326 1.00 0.00 H new ATOM 2255 N HIS B 67 90.648 10.971 16.393 1.00 0.00 N ATOM 2256 CA HIS B 67 91.749 10.114 15.955 1.00 0.00 C ATOM 2257 C HIS B 67 92.513 10.835 14.856 1.00 0.00 C ATOM 2258 O HIS B 67 91.980 11.755 14.236 1.00 0.00 O ATOM 2259 CB HIS B 67 91.261 8.734 15.459 1.00 0.00 C ATOM 2260 CG HIS B 67 90.770 8.698 14.039 1.00 0.00 C ATOM 2261 ND1 HIS B 67 89.486 9.025 13.672 1.00 0.00 N ATOM 2262 CD2 HIS B 67 91.405 8.349 12.894 1.00 0.00 C ATOM 2263 CE1 HIS B 67 89.352 8.882 12.369 1.00 0.00 C ATOM 2264 NE2 HIS B 67 90.500 8.469 11.869 1.00 0.00 N ATOM 0 H HIS B 67 90.616 11.872 15.915 1.00 0.00 H new ATOM 0 HA HIS B 67 92.399 9.922 16.809 1.00 0.00 H new ATOM 0 HB2 HIS B 67 92.078 8.020 15.562 1.00 0.00 H new ATOM 0 HB3 HIS B 67 90.457 8.395 16.113 1.00 0.00 H new ATOM 0 HD2 HIS B 67 92.434 8.034 12.804 1.00 0.00 H new ATOM 0 HE1 HIS B 67 88.451 9.072 11.804 1.00 0.00 H new ATOM 0 HE2 HIS B 67 90.685 8.272 10.885 1.00 0.00 H new ATOM 2273 N HIS B 68 93.755 10.442 14.625 1.00 0.00 N ATOM 2274 CA HIS B 68 94.549 11.049 13.567 1.00 0.00 C ATOM 2275 C HIS B 68 95.187 9.970 12.699 1.00 0.00 C ATOM 2276 O HIS B 68 94.531 9.387 11.837 1.00 0.00 O ATOM 2277 CB HIS B 68 95.627 11.977 14.151 1.00 0.00 C ATOM 2278 CG HIS B 68 95.087 13.118 14.968 1.00 0.00 C ATOM 2279 ND1 HIS B 68 94.931 14.395 14.475 1.00 0.00 N ATOM 2280 CD2 HIS B 68 94.670 13.168 16.258 1.00 0.00 C ATOM 2281 CE1 HIS B 68 94.441 15.176 15.418 1.00 0.00 C ATOM 2282 NE2 HIS B 68 94.275 14.457 16.510 1.00 0.00 N ATOM 0 H HIS B 68 94.233 9.711 15.151 1.00 0.00 H new ATOM 0 HA HIS B 68 93.886 11.651 12.946 1.00 0.00 H new ATOM 0 HB2 HIS B 68 96.299 11.386 14.773 1.00 0.00 H new ATOM 0 HB3 HIS B 68 96.223 12.382 13.333 1.00 0.00 H new ATOM 0 HD2 HIS B 68 94.652 12.345 16.957 1.00 0.00 H new ATOM 0 HE1 HIS B 68 94.214 16.227 15.313 1.00 0.00 H new ATOM 0 HE2 HIS B 68 93.912 14.803 17.398 1.00 0.00 H new ATOM 2291 N HIS B 69 96.457 9.688 12.945 1.00 0.00 N ATOM 2292 CA HIS B 69 97.175 8.656 12.208 1.00 0.00 C ATOM 2293 C HIS B 69 98.504 8.360 12.889 1.00 0.00 C ATOM 2294 O HIS B 69 99.491 9.077 12.632 1.00 0.00 O ATOM 2295 CB HIS B 69 97.383 9.044 10.730 1.00 0.00 C ATOM 2296 CG HIS B 69 97.810 10.463 10.498 1.00 0.00 C ATOM 2297 ND1 HIS B 69 99.040 10.950 10.867 1.00 0.00 N ATOM 2298 CD2 HIS B 69 97.154 11.497 9.927 1.00 0.00 C ATOM 2299 CE1 HIS B 69 99.128 12.223 10.533 1.00 0.00 C ATOM 2300 NE2 HIS B 69 97.996 12.581 9.955 1.00 0.00 N ATOM 2301 OXT HIS B 69 98.546 7.428 13.714 1.00 0.00 O ATOM 0 H HIS B 69 97.016 10.162 13.654 1.00 0.00 H new ATOM 0 HA HIS B 69 96.566 7.752 12.214 1.00 0.00 H new ATOM 0 HB2 HIS B 69 98.132 8.380 10.298 1.00 0.00 H new ATOM 0 HB3 HIS B 69 96.453 8.868 10.190 1.00 0.00 H new ATOM 0 HD1 HIS B 69 99.773 10.410 11.328 1.00 0.00 H new ATOM 0 HD2 HIS B 69 96.153 11.475 9.523 1.00 0.00 H new ATOM 0 HE1 HIS B 69 99.981 12.863 10.703 1.00 0.00 H new