USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -147:sc= -0.199 USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.284 USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= -0.0239 F(o=-3.8!,f=-0.059) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -0.035 F(o=-2.6,f=-0.059) USER MOD Set 3.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 3.2: A 11 MET CE :methyl 139:sc= -2.92! (180deg=-6.44!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.698 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -3.69! C(o=-3.7!,f=-7.6!) USER MOD Single : A 23 MET CE :methyl -137:sc= -3.76! (180deg=-7.12!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.512 F(o=-2.9!,f=-0.51) USER MOD Single : A 35 MET CE :methyl -171:sc= -5.31! (180deg=-6.12!) USER MOD Single : A 36 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc=-0.000599 (180deg=-0.000599) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 46 MET CE :methyl -139:sc= -0.65 (180deg=-4.12!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 58 MET CE :methyl -129:sc= -5.87! (180deg=-12.3!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -131:sc= 0.647 (180deg=-0.369) USER MOD Single : A 77 GLN : amide:sc= -0.61 K(o=-0.61,f=-3.4!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : B 5 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.54) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.112 F(o=-2.1!,f=-0.11) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 11 LYS NZ :NH3+ 175:sc= 0.055 (180deg=-0.0055) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot -38:sc= -0.182 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.062 -6.833 -5.484 1.00 0.00 N ATOM 95 CA THR A 8 -8.608 -5.733 -4.699 1.00 0.00 C ATOM 96 C THR A 8 -9.573 -4.900 -5.530 1.00 0.00 C ATOM 97 O THR A 8 -10.559 -4.379 -5.009 1.00 0.00 O ATOM 98 CB THR A 8 -7.477 -4.850 -4.160 1.00 0.00 C ATOM 99 OG1 THR A 8 -7.964 -3.968 -3.164 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.802 -4.014 -5.227 1.00 0.00 C ATOM 0 HA THR A 8 -9.157 -6.156 -3.858 1.00 0.00 H new ATOM 0 HB THR A 8 -6.741 -5.543 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.310 -3.902 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.012 -3.414 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.371 -4.669 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.536 -3.356 -5.692 1.00 0.00 H new ATOM 108 N ALA A 9 -9.300 -4.792 -6.828 1.00 0.00 N ATOM 109 CA ALA A 9 -10.187 -4.066 -7.726 1.00 0.00 C ATOM 110 C ALA A 9 -11.571 -4.697 -7.692 1.00 0.00 C ATOM 111 O ALA A 9 -12.590 -4.004 -7.721 1.00 0.00 O ATOM 112 CB ALA A 9 -9.633 -4.059 -9.140 1.00 0.00 C ATOM 0 H ALA A 9 -8.478 -5.195 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.260 -3.031 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.312 -3.511 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.656 -3.577 -9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.534 -5.084 -9.497 1.00 0.00 H new ATOM 118 N SER A 10 -11.590 -6.022 -7.588 1.00 0.00 N ATOM 119 CA SER A 10 -12.836 -6.763 -7.491 1.00 0.00 C ATOM 120 C SER A 10 -13.483 -6.512 -6.138 1.00 0.00 C ATOM 121 O SER A 10 -14.707 -6.430 -6.032 1.00 0.00 O ATOM 122 CB SER A 10 -12.585 -8.258 -7.690 1.00 0.00 C ATOM 123 OG SER A 10 -13.717 -9.021 -7.312 1.00 0.00 O ATOM 0 H SER A 10 -10.752 -6.603 -7.569 1.00 0.00 H new ATOM 0 HA SER A 10 -13.511 -6.420 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.344 -8.453 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.722 -8.566 -7.100 1.00 0.00 H new ATOM 0 HG SER A 10 -13.531 -9.973 -7.450 1.00 0.00 H new ATOM 129 N MET A 11 -12.652 -6.340 -5.107 1.00 0.00 N ATOM 130 CA MET A 11 -13.163 -6.042 -3.774 1.00 0.00 C ATOM 131 C MET A 11 -13.863 -4.695 -3.780 1.00 0.00 C ATOM 132 O MET A 11 -14.881 -4.514 -3.119 1.00 0.00 O ATOM 133 CB MET A 11 -12.039 -6.020 -2.737 1.00 0.00 C ATOM 134 CG MET A 11 -11.184 -7.276 -2.724 1.00 0.00 C ATOM 135 SD MET A 11 -10.658 -7.744 -1.063 1.00 0.00 S ATOM 136 CE MET A 11 -9.417 -6.496 -0.732 1.00 0.00 C ATOM 0 H MET A 11 -11.636 -6.402 -5.171 1.00 0.00 H new ATOM 0 HA MET A 11 -13.867 -6.829 -3.503 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.399 -5.159 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.474 -5.879 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.746 -8.098 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.304 -7.118 -3.348 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.513 -6.152 0.298 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.425 -6.921 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.557 -5.655 -1.411 1.00 0.00 H new ATOM 146 N LEU A 12 -13.321 -3.760 -4.555 1.00 0.00 N ATOM 147 CA LEU A 12 -13.904 -2.430 -4.671 1.00 0.00 C ATOM 148 C LEU A 12 -15.381 -2.538 -5.021 1.00 0.00 C ATOM 149 O LEU A 12 -16.237 -1.973 -4.341 1.00 0.00 O ATOM 150 CB LEU A 12 -13.169 -1.627 -5.750 1.00 0.00 C ATOM 151 CG LEU A 12 -12.212 -0.545 -5.240 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.303 -1.088 -4.146 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.386 0.011 -6.390 1.00 0.00 C ATOM 0 H LEU A 12 -12.478 -3.900 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.802 -1.915 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.604 -2.322 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.911 -1.155 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.808 0.261 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.635 -0.298 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.909 -1.439 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.714 -1.916 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.710 0.779 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.806 -0.793 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.049 0.446 -7.138 1.00 0.00 H new ATOM 165 N ALA A 13 -15.668 -3.291 -6.076 1.00 0.00 N ATOM 166 CA ALA A 13 -17.038 -3.514 -6.511 1.00 0.00 C ATOM 167 C ALA A 13 -17.822 -4.322 -5.478 1.00 0.00 C ATOM 168 O ALA A 13 -19.043 -4.199 -5.377 1.00 0.00 O ATOM 169 CB ALA A 13 -17.049 -4.225 -7.856 1.00 0.00 C ATOM 0 H ALA A 13 -14.965 -3.759 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.523 -2.544 -6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.079 -4.388 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.534 -3.612 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.542 -5.185 -7.764 1.00 0.00 H new ATOM 175 N SER A 14 -17.114 -5.163 -4.726 1.00 0.00 N ATOM 176 CA SER A 14 -17.749 -6.023 -3.730 1.00 0.00 C ATOM 177 C SER A 14 -17.587 -5.473 -2.314 1.00 0.00 C ATOM 178 O SER A 14 -17.769 -6.199 -1.337 1.00 0.00 O ATOM 179 CB SER A 14 -17.160 -7.433 -3.806 1.00 0.00 C ATOM 180 OG SER A 14 -15.988 -7.540 -3.015 1.00 0.00 O ATOM 0 H SER A 14 -16.101 -5.267 -4.788 1.00 0.00 H new ATOM 0 HA SER A 14 -18.815 -6.054 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.899 -8.158 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.927 -7.678 -4.842 1.00 0.00 H new ATOM 0 HG SER A 14 -15.632 -8.451 -3.079 1.00 0.00 H new ATOM 186 N ALA A 15 -17.254 -4.192 -2.206 1.00 0.00 N ATOM 187 CA ALA A 15 -17.073 -3.559 -0.905 1.00 0.00 C ATOM 188 C ALA A 15 -17.686 -2.159 -0.887 1.00 0.00 C ATOM 189 O ALA A 15 -17.299 -1.296 -1.675 1.00 0.00 O ATOM 190 CB ALA A 15 -15.597 -3.492 -0.548 1.00 0.00 C ATOM 0 H ALA A 15 -17.104 -3.572 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.587 -4.166 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.479 -3.017 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.185 -4.501 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.066 -2.910 -1.302 1.00 0.00 H new ATOM 241 N GLU A 19 -16.288 0.255 3.454 1.00 0.00 N ATOM 242 CA GLU A 19 -15.314 -0.825 3.430 1.00 0.00 C ATOM 243 C GLU A 19 -13.948 -0.322 2.981 1.00 0.00 C ATOM 244 O GLU A 19 -13.035 -1.112 2.746 1.00 0.00 O ATOM 245 CB GLU A 19 -15.782 -1.922 2.483 1.00 0.00 C ATOM 246 CG GLU A 19 -16.444 -3.099 3.177 1.00 0.00 C ATOM 247 CD GLU A 19 -15.748 -3.517 4.460 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.922 -2.825 5.485 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.058 -4.556 4.449 1.00 0.00 O ATOM 0 HA GLU A 19 -15.224 -1.221 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.484 -1.494 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.927 -2.284 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.479 -2.842 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.467 -3.947 2.493 1.00 0.00 H new ATOM 256 N GLN A 20 -13.827 0.996 2.837 1.00 0.00 N ATOM 257 CA GLN A 20 -12.587 1.609 2.367 1.00 0.00 C ATOM 258 C GLN A 20 -11.368 1.040 3.085 1.00 0.00 C ATOM 259 O GLN A 20 -10.484 0.459 2.458 1.00 0.00 O ATOM 260 CB GLN A 20 -12.633 3.128 2.563 1.00 0.00 C ATOM 261 CG GLN A 20 -13.377 3.565 3.815 1.00 0.00 C ATOM 262 CD GLN A 20 -12.605 4.590 4.623 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.818 4.117 5.582 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.711 5.793 4.383 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.574 1.661 3.039 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.495 1.380 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.613 3.510 2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.107 3.583 1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.343 3.983 3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.577 2.693 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.328 6.112 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.182 6.471 4.931 1.00 0.00 H new ATOM 273 N LYS A 21 -11.331 1.200 4.402 1.00 0.00 N ATOM 274 CA LYS A 21 -10.193 0.745 5.195 1.00 0.00 C ATOM 275 C LYS A 21 -9.913 -0.741 4.989 1.00 0.00 C ATOM 276 O LYS A 21 -8.808 -1.207 5.257 1.00 0.00 O ATOM 277 CB LYS A 21 -10.429 1.026 6.683 1.00 0.00 C ATOM 278 CG LYS A 21 -11.899 1.092 7.078 1.00 0.00 C ATOM 279 CD LYS A 21 -12.593 -0.249 6.897 1.00 0.00 C ATOM 280 CE LYS A 21 -12.777 -0.966 8.224 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.161 -1.493 8.382 1.00 0.00 N ATOM 0 H LYS A 21 -12.074 1.641 4.944 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.320 1.302 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.941 0.249 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.951 1.970 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.982 1.407 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.404 1.847 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.565 -0.096 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.008 -0.874 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.065 -1.788 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.554 -0.280 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.246 -1.975 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.839 -0.706 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.365 -2.167 7.617 1.00 0.00 H new ATOM 295 N GLN A 22 -10.917 -1.492 4.548 1.00 0.00 N ATOM 296 CA GLN A 22 -10.740 -2.922 4.315 1.00 0.00 C ATOM 297 C GLN A 22 -9.912 -3.184 3.061 1.00 0.00 C ATOM 298 O GLN A 22 -8.732 -3.525 3.140 1.00 0.00 O ATOM 299 CB GLN A 22 -12.091 -3.631 4.192 1.00 0.00 C ATOM 300 CG GLN A 22 -11.968 -5.089 3.766 1.00 0.00 C ATOM 301 CD GLN A 22 -13.079 -5.527 2.833 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.535 -4.758 1.986 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.527 -6.767 2.989 1.00 0.00 N ATOM 0 H GLN A 22 -11.853 -1.140 4.346 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.205 -3.322 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.608 -3.582 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.709 -3.099 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.007 -5.238 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.974 -5.723 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.120 -7.370 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.278 -7.116 2.394 1.00 0.00 H new ATOM 312 N MET A 23 -10.560 -3.070 1.906 1.00 0.00 N ATOM 313 CA MET A 23 -9.920 -3.366 0.628 1.00 0.00 C ATOM 314 C MET A 23 -8.848 -2.343 0.255 1.00 0.00 C ATOM 315 O MET A 23 -7.694 -2.460 0.670 1.00 0.00 O ATOM 316 CB MET A 23 -10.965 -3.465 -0.496 1.00 0.00 C ATOM 317 CG MET A 23 -12.332 -2.896 -0.142 1.00 0.00 C ATOM 318 SD MET A 23 -12.343 -1.096 -0.061 1.00 0.00 S ATOM 319 CE MET A 23 -13.592 -0.707 -1.283 1.00 0.00 C ATOM 0 H MET A 23 -11.533 -2.773 1.829 1.00 0.00 H new ATOM 0 HA MET A 23 -9.424 -4.329 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.585 -2.943 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.083 -4.512 -0.774 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.060 -3.226 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.650 -3.300 0.819 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.255 0.130 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.761 -1.576 -1.919 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.521 -0.439 -0.781 1.00 0.00 H new ATOM 329 N LEU A 24 -9.226 -1.374 -0.572 1.00 0.00 N ATOM 330 CA LEU A 24 -8.290 -0.379 -1.089 1.00 0.00 C ATOM 331 C LEU A 24 -7.615 0.440 0.005 1.00 0.00 C ATOM 332 O LEU A 24 -6.810 1.322 -0.298 1.00 0.00 O ATOM 333 CB LEU A 24 -9.016 0.578 -2.048 1.00 0.00 C ATOM 334 CG LEU A 24 -10.397 1.079 -1.597 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.329 1.751 -0.234 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.972 2.038 -2.628 1.00 0.00 C ATOM 0 H LEU A 24 -10.184 -1.255 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.511 -0.936 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.376 1.444 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.131 0.076 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.053 0.213 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.323 2.093 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.963 1.038 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.652 2.604 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.950 2.385 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.304 2.892 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.074 1.525 -3.584 1.00 0.00 H new ATOM 348 N GLY A 25 -7.969 0.204 1.262 1.00 0.00 N ATOM 349 CA GLY A 25 -7.438 1.046 2.311 1.00 0.00 C ATOM 350 C GLY A 25 -7.965 2.445 2.120 1.00 0.00 C ATOM 351 O GLY A 25 -9.172 2.671 2.165 1.00 0.00 O ATOM 0 H GLY A 25 -8.599 -0.538 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.730 0.662 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.348 1.045 2.281 1.00 0.00 H new ATOM 355 N GLU A 26 -7.076 3.379 1.845 1.00 0.00 N ATOM 356 CA GLU A 26 -7.505 4.695 1.422 1.00 0.00 C ATOM 357 C GLU A 26 -7.955 4.591 -0.034 1.00 0.00 C ATOM 358 O GLU A 26 -9.143 4.646 -0.348 1.00 0.00 O ATOM 359 CB GLU A 26 -6.374 5.712 1.573 1.00 0.00 C ATOM 360 CG GLU A 26 -6.524 6.608 2.792 1.00 0.00 C ATOM 361 CD GLU A 26 -6.672 5.822 4.081 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.643 5.354 4.611 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.816 5.674 4.558 1.00 0.00 O ATOM 0 H GLU A 26 -6.066 3.253 1.906 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.329 5.041 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.424 5.181 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.332 6.333 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.655 7.261 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.395 7.250 2.661 1.00 0.00 H new ATOM 370 N ARG A 27 -6.970 4.377 -0.898 1.00 0.00 N ATOM 371 CA ARG A 27 -7.176 4.150 -2.323 1.00 0.00 C ATOM 372 C ARG A 27 -5.938 3.455 -2.877 1.00 0.00 C ATOM 373 O ARG A 27 -5.748 3.340 -4.083 1.00 0.00 O ATOM 374 CB ARG A 27 -7.411 5.475 -3.054 1.00 0.00 C ATOM 375 CG ARG A 27 -7.864 5.314 -4.499 1.00 0.00 C ATOM 376 CD ARG A 27 -8.813 4.140 -4.667 1.00 0.00 C ATOM 377 NE ARG A 27 -9.205 3.945 -6.062 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.404 3.512 -6.442 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.337 3.246 -5.537 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.676 3.361 -7.731 1.00 0.00 N ATOM 0 H ARG A 27 -5.988 4.356 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.058 3.527 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.161 6.050 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.489 6.057 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.356 6.229 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.993 5.171 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.337 3.233 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.703 4.304 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.518 4.153 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.136 3.373 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.255 2.914 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.966 3.577 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.595 3.029 -8.023 1.00 0.00 H new ATOM 394 N LEU A 28 -5.112 2.978 -1.952 1.00 0.00 N ATOM 395 CA LEU A 28 -3.805 2.408 -2.265 1.00 0.00 C ATOM 396 C LEU A 28 -3.862 1.233 -3.240 1.00 0.00 C ATOM 397 O LEU A 28 -3.584 1.395 -4.428 1.00 0.00 O ATOM 398 CB LEU A 28 -3.141 1.942 -0.960 1.00 0.00 C ATOM 399 CG LEU A 28 -2.254 2.970 -0.254 1.00 0.00 C ATOM 400 CD1 LEU A 28 -1.042 3.308 -1.107 1.00 0.00 C ATOM 401 CD2 LEU A 28 -3.048 4.220 0.082 1.00 0.00 C ATOM 0 H LEU A 28 -5.332 2.976 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.229 3.193 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.924 1.631 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.539 1.060 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.898 2.534 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.424 4.040 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.460 2.404 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.372 3.722 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.400 4.939 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.438 4.661 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.877 3.959 0.740 1.00 0.00 H new ATOM 413 N PHE A 29 -4.126 0.043 -2.706 1.00 0.00 N ATOM 414 CA PHE A 29 -4.108 -1.200 -3.482 1.00 0.00 C ATOM 415 C PHE A 29 -4.556 -1.023 -4.940 1.00 0.00 C ATOM 416 O PHE A 29 -3.858 -1.467 -5.845 1.00 0.00 O ATOM 417 CB PHE A 29 -4.960 -2.272 -2.795 1.00 0.00 C ATOM 418 CG PHE A 29 -4.224 -3.564 -2.548 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.417 -4.123 -3.530 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.348 -4.224 -1.336 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.744 -5.307 -3.302 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.674 -5.408 -1.103 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.877 -5.953 -2.091 1.00 0.00 C ATOM 0 H PHE A 29 -4.359 -0.090 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.066 -1.519 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.321 -1.882 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.837 -2.475 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.314 -3.626 -4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.979 -3.808 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.114 -5.727 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.770 -5.906 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.359 -6.884 -1.915 1.00 0.00 H new ATOM 433 N PRO A 30 -5.723 -0.398 -5.200 1.00 0.00 N ATOM 434 CA PRO A 30 -6.242 -0.235 -6.566 1.00 0.00 C ATOM 435 C PRO A 30 -5.272 0.479 -7.510 1.00 0.00 C ATOM 436 O PRO A 30 -5.098 0.062 -8.660 1.00 0.00 O ATOM 437 CB PRO A 30 -7.521 0.591 -6.387 1.00 0.00 C ATOM 438 CG PRO A 30 -7.464 1.122 -4.997 1.00 0.00 C ATOM 439 CD PRO A 30 -6.654 0.141 -4.203 1.00 0.00 C ATOM 0 HA PRO A 30 -6.408 -1.206 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.569 1.401 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.409 -0.024 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.005 2.111 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.465 1.227 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.129 0.624 -3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.278 -0.640 -3.769 1.00 0.00 H new ATOM 447 N LEU A 31 -4.615 1.536 -7.032 1.00 0.00 N ATOM 448 CA LEU A 31 -3.677 2.268 -7.888 1.00 0.00 C ATOM 449 C LEU A 31 -2.440 1.427 -8.135 1.00 0.00 C ATOM 450 O LEU A 31 -2.003 1.254 -9.275 1.00 0.00 O ATOM 451 CB LEU A 31 -3.260 3.609 -7.273 1.00 0.00 C ATOM 452 CG LEU A 31 -4.079 4.069 -6.074 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.167 4.519 -4.943 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.029 5.184 -6.470 1.00 0.00 C ATOM 0 H LEU A 31 -4.709 1.898 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.189 2.473 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.215 3.540 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.318 4.376 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.671 3.225 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.771 4.844 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.530 3.689 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.546 5.347 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.605 5.498 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.458 6.030 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.708 4.826 -7.244 1.00 0.00 H new ATOM 466 N ILE A 32 -1.892 0.879 -7.064 1.00 0.00 N ATOM 467 CA ILE A 32 -0.728 0.028 -7.179 1.00 0.00 C ATOM 468 C ILE A 32 -1.113 -1.298 -7.815 1.00 0.00 C ATOM 469 O ILE A 32 -0.253 -2.070 -8.224 1.00 0.00 O ATOM 470 CB ILE A 32 -0.063 -0.240 -5.821 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.496 0.807 -4.791 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.449 -0.247 -5.981 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.128 0.615 -3.427 1.00 0.00 C ATOM 0 H ILE A 32 -2.234 1.009 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.009 0.555 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.382 -1.217 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.236 1.798 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.581 0.778 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.916 -0.438 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.737 -1.029 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.779 0.720 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.226 1.394 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.152 -0.362 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.213 0.674 -3.512 1.00 0.00 H new ATOM 485 N GLN A 33 -2.414 -1.568 -7.878 1.00 0.00 N ATOM 486 CA GLN A 33 -2.902 -2.780 -8.520 1.00 0.00 C ATOM 487 C GLN A 33 -2.506 -2.740 -9.983 1.00 0.00 C ATOM 488 O GLN A 33 -2.061 -3.735 -10.553 1.00 0.00 O ATOM 489 CB GLN A 33 -4.418 -2.907 -8.370 1.00 0.00 C ATOM 490 CG GLN A 33 -5.022 -4.037 -9.187 1.00 0.00 C ATOM 491 CD GLN A 33 -5.288 -5.278 -8.357 1.00 0.00 C ATOM 492 OE1 GLN A 33 -6.563 -5.585 -8.143 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -4.360 -5.954 -7.915 1.00 0.00 N flip ATOM 0 H GLN A 33 -3.143 -0.967 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.457 -3.652 -8.041 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.658 -3.063 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.883 -1.967 -8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.955 -3.697 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.348 -4.289 -10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.395 -5.681 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.555 -6.787 -7.360 1.00 0.00 H new ATOM 502 N ALA A 34 -2.602 -1.551 -10.563 1.00 0.00 N ATOM 503 CA ALA A 34 -2.144 -1.339 -11.926 1.00 0.00 C ATOM 504 C ALA A 34 -0.626 -1.494 -11.969 1.00 0.00 C ATOM 505 O ALA A 34 -0.058 -1.940 -12.966 1.00 0.00 O ATOM 506 CB ALA A 34 -2.563 0.034 -12.426 1.00 0.00 C ATOM 0 H ALA A 34 -2.991 -0.723 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.600 -2.080 -12.582 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.210 0.172 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.650 0.113 -12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.130 0.802 -11.786 1.00 0.00 H new ATOM 512 N MET A 35 0.009 -1.162 -10.844 1.00 0.00 N ATOM 513 CA MET A 35 1.459 -1.286 -10.696 1.00 0.00 C ATOM 514 C MET A 35 1.805 -2.533 -9.889 1.00 0.00 C ATOM 515 O MET A 35 2.845 -2.597 -9.233 1.00 0.00 O ATOM 516 CB MET A 35 2.017 -0.047 -9.997 1.00 0.00 C ATOM 517 CG MET A 35 1.420 1.244 -10.521 1.00 0.00 C ATOM 518 SD MET A 35 2.101 2.713 -9.736 1.00 0.00 S ATOM 519 CE MET A 35 0.607 3.670 -9.507 1.00 0.00 C ATOM 0 H MET A 35 -0.464 -0.802 -10.015 1.00 0.00 H new ATOM 0 HA MET A 35 1.906 -1.373 -11.686 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.825 -0.122 -8.927 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.099 -0.020 -10.126 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.588 1.304 -11.596 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.341 1.226 -10.368 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.866 4.676 -9.178 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.062 3.725 -10.449 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.019 3.192 -8.753 1.00 0.00 H new ATOM 529 N HIS A 36 0.910 -3.517 -9.934 1.00 0.00 N ATOM 530 CA HIS A 36 1.081 -4.752 -9.178 1.00 0.00 C ATOM 531 C HIS A 36 2.300 -5.569 -9.629 1.00 0.00 C ATOM 532 O HIS A 36 2.901 -6.252 -8.799 1.00 0.00 O ATOM 533 CB HIS A 36 -0.195 -5.599 -9.239 1.00 0.00 C ATOM 534 CG HIS A 36 -0.147 -6.724 -10.228 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.492 -7.907 -9.938 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.675 -6.800 -11.474 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.345 -8.670 -11.007 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.354 -8.040 -11.963 1.00 0.00 N ATOM 0 H HIS A 36 0.055 -3.481 -10.489 1.00 0.00 H new ATOM 0 HA HIS A 36 1.270 -4.463 -8.144 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.391 -6.011 -8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.035 -4.950 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.239 -6.033 -11.983 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.737 -9.672 -11.099 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.600 -8.413 -12.880 1.00 0.00 H new ATOM 546 N PRO A 37 2.692 -5.537 -10.935 1.00 0.00 N ATOM 547 CA PRO A 37 3.861 -6.278 -11.417 1.00 0.00 C ATOM 548 C PRO A 37 4.975 -6.326 -10.378 1.00 0.00 C ATOM 549 O PRO A 37 5.674 -7.331 -10.245 1.00 0.00 O ATOM 550 CB PRO A 37 4.286 -5.472 -12.637 1.00 0.00 C ATOM 551 CG PRO A 37 3.005 -4.954 -13.200 1.00 0.00 C ATOM 552 CD PRO A 37 2.061 -4.773 -12.034 1.00 0.00 C ATOM 0 HA PRO A 37 3.640 -7.323 -11.635 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.958 -4.659 -12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.816 -6.093 -13.359 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.164 -4.009 -13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.592 -5.652 -13.928 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.947 -3.721 -11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.066 -5.154 -12.264 1.00 0.00 H new ATOM 560 N THR A 38 5.100 -5.246 -9.610 1.00 0.00 N ATOM 561 CA THR A 38 6.060 -5.192 -8.518 1.00 0.00 C ATOM 562 C THR A 38 5.507 -5.962 -7.320 1.00 0.00 C ATOM 563 O THR A 38 5.717 -7.169 -7.202 1.00 0.00 O ATOM 564 CB THR A 38 6.357 -3.739 -8.135 1.00 0.00 C ATOM 565 OG1 THR A 38 6.671 -2.975 -9.287 1.00 0.00 O ATOM 566 CG2 THR A 38 7.507 -3.598 -7.162 1.00 0.00 C ATOM 0 H THR A 38 4.546 -4.397 -9.727 1.00 0.00 H new ATOM 0 HA THR A 38 6.995 -5.652 -8.838 1.00 0.00 H new ATOM 0 HB THR A 38 5.450 -3.375 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.856 -2.049 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.663 -2.544 -6.934 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.275 -4.138 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.412 -4.011 -7.607 1.00 0.00 H new ATOM 574 N LEU A 39 4.769 -5.268 -6.451 1.00 0.00 N ATOM 575 CA LEU A 39 4.143 -5.911 -5.298 1.00 0.00 C ATOM 576 C LEU A 39 3.196 -4.955 -4.571 1.00 0.00 C ATOM 577 O LEU A 39 3.448 -4.574 -3.426 1.00 0.00 O ATOM 578 CB LEU A 39 5.205 -6.437 -4.333 1.00 0.00 C ATOM 579 CG LEU A 39 4.877 -7.782 -3.680 1.00 0.00 C ATOM 580 CD1 LEU A 39 5.054 -8.917 -4.678 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.750 -8.006 -2.454 1.00 0.00 C ATOM 0 H LEU A 39 4.592 -4.266 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 39 3.555 -6.751 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.148 -6.532 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.359 -5.697 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 39 3.835 -7.765 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.816 -9.865 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.386 -8.763 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.086 -8.936 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.503 -8.967 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.799 -8.002 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.574 -7.209 -1.731 1.00 0.00 H new ATOM 593 N ALA A 40 2.093 -4.594 -5.228 1.00 0.00 N ATOM 594 CA ALA A 40 1.100 -3.692 -4.641 1.00 0.00 C ATOM 595 C ALA A 40 0.689 -4.144 -3.239 1.00 0.00 C ATOM 596 O ALA A 40 0.244 -3.338 -2.422 1.00 0.00 O ATOM 597 CB ALA A 40 -0.125 -3.608 -5.544 1.00 0.00 C ATOM 0 H ALA A 40 1.864 -4.913 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 40 1.554 -2.705 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.859 -2.935 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.170 -3.229 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.563 -4.600 -5.656 1.00 0.00 H new ATOM 603 N GLY A 41 0.846 -5.438 -2.975 1.00 0.00 N ATOM 604 CA GLY A 41 0.458 -6.006 -1.694 1.00 0.00 C ATOM 605 C GLY A 41 0.990 -5.251 -0.489 1.00 0.00 C ATOM 606 O GLY A 41 0.212 -4.775 0.336 1.00 0.00 O ATOM 0 H GLY A 41 1.240 -6.111 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.630 -6.036 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.808 -7.037 -1.646 1.00 0.00 H new ATOM 610 N LYS A 42 2.309 -5.200 -0.339 1.00 0.00 N ATOM 611 CA LYS A 42 2.908 -4.545 0.822 1.00 0.00 C ATOM 612 C LYS A 42 2.894 -3.025 0.692 1.00 0.00 C ATOM 613 O LYS A 42 2.782 -2.316 1.691 1.00 0.00 O ATOM 614 CB LYS A 42 4.344 -5.037 1.048 1.00 0.00 C ATOM 615 CG LYS A 42 4.937 -4.632 2.396 1.00 0.00 C ATOM 616 CD LYS A 42 3.888 -4.586 3.500 1.00 0.00 C ATOM 617 CE LYS A 42 4.361 -3.752 4.681 1.00 0.00 C ATOM 618 NZ LYS A 42 5.344 -4.488 5.523 1.00 0.00 N ATOM 0 H LYS A 42 2.979 -5.599 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 42 2.299 -4.813 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.361 -6.124 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.979 -4.648 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.721 -5.337 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.407 -3.653 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.961 -4.169 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.665 -5.599 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.814 -2.830 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.503 -3.466 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.641 -3.885 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.904 -5.355 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.174 -4.739 4.949 1.00 0.00 H new ATOM 632 N ILE A 43 3.019 -2.529 -0.534 1.00 0.00 N ATOM 633 CA ILE A 43 3.044 -1.088 -0.771 1.00 0.00 C ATOM 634 C ILE A 43 1.823 -0.401 -0.162 1.00 0.00 C ATOM 635 O ILE A 43 1.964 0.517 0.644 1.00 0.00 O ATOM 636 CB ILE A 43 3.119 -0.756 -2.269 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.167 -1.631 -2.958 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.445 0.716 -2.461 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.136 -1.532 -4.466 1.00 0.00 C ATOM 0 H ILE A 43 3.104 -3.099 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 43 3.944 -0.712 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 43 2.149 -0.961 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.157 -1.346 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.011 -2.670 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.496 0.941 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.668 1.324 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.405 0.940 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.905 -2.178 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.158 -1.845 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.322 -0.501 -4.767 1.00 0.00 H new ATOM 651 N THR A 44 0.628 -0.850 -0.546 1.00 0.00 N ATOM 652 CA THR A 44 -0.606 -0.285 -0.017 1.00 0.00 C ATOM 653 C THR A 44 -0.534 -0.175 1.500 1.00 0.00 C ATOM 654 O THR A 44 -0.837 0.870 2.072 1.00 0.00 O ATOM 655 CB THR A 44 -1.800 -1.157 -0.417 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.994 -0.683 0.180 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.643 -2.604 -0.019 1.00 0.00 C ATOM 0 H THR A 44 0.492 -1.603 -1.221 1.00 0.00 H new ATOM 0 HA THR A 44 -0.736 0.713 -0.436 1.00 0.00 H new ATOM 0 HB THR A 44 -1.847 -1.094 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.744 -1.253 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.524 -3.165 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.758 -3.020 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.534 -2.674 1.063 1.00 0.00 H new ATOM 665 N GLY A 45 -0.088 -1.253 2.136 1.00 0.00 N ATOM 666 CA GLY A 45 0.020 -1.282 3.583 1.00 0.00 C ATOM 667 C GLY A 45 0.841 -0.142 4.152 1.00 0.00 C ATOM 668 O GLY A 45 0.334 0.660 4.935 1.00 0.00 O ATOM 0 H GLY A 45 0.203 -2.113 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.980 -1.249 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.467 -2.228 3.887 1.00 0.00 H new ATOM 672 N MET A 46 2.117 -0.080 3.786 1.00 0.00 N ATOM 673 CA MET A 46 3.007 0.958 4.305 1.00 0.00 C ATOM 674 C MET A 46 2.452 2.353 4.036 1.00 0.00 C ATOM 675 O MET A 46 2.411 3.195 4.933 1.00 0.00 O ATOM 676 CB MET A 46 4.411 0.829 3.704 1.00 0.00 C ATOM 677 CG MET A 46 4.446 0.169 2.336 1.00 0.00 C ATOM 678 SD MET A 46 5.590 -1.223 2.266 1.00 0.00 S ATOM 679 CE MET A 46 7.100 -0.457 2.847 1.00 0.00 C ATOM 0 H MET A 46 2.558 -0.731 3.136 1.00 0.00 H new ATOM 0 HA MET A 46 3.073 0.817 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.853 1.822 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.035 0.254 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.445 -0.175 2.077 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.732 0.908 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.941 -0.812 2.251 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.019 0.626 2.751 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.261 -0.717 3.893 1.00 0.00 H new ATOM 689 N LEU A 47 2.031 2.596 2.801 1.00 0.00 N ATOM 690 CA LEU A 47 1.491 3.897 2.424 1.00 0.00 C ATOM 691 C LEU A 47 0.034 4.045 2.861 1.00 0.00 C ATOM 692 O LEU A 47 -0.597 5.066 2.593 1.00 0.00 O ATOM 693 CB LEU A 47 1.610 4.113 0.912 1.00 0.00 C ATOM 694 CG LEU A 47 3.037 4.310 0.381 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.782 5.357 1.197 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.798 2.993 0.383 1.00 0.00 C ATOM 0 H LEU A 47 2.053 1.912 2.045 1.00 0.00 H new ATOM 0 HA LEU A 47 2.078 4.658 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.168 3.256 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.016 4.986 0.640 1.00 0.00 H new ATOM 0 HG LEU A 47 2.967 4.666 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.790 5.478 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.253 6.308 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.837 5.036 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.807 3.155 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.851 2.605 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.282 2.274 -0.253 1.00 0.00 H new ATOM 708 N LEU A 48 -0.495 3.027 3.541 1.00 0.00 N ATOM 709 CA LEU A 48 -1.876 3.071 4.019 1.00 0.00 C ATOM 710 C LEU A 48 -2.037 4.155 5.079 1.00 0.00 C ATOM 711 O LEU A 48 -3.153 4.547 5.420 1.00 0.00 O ATOM 712 CB LEU A 48 -2.308 1.705 4.575 1.00 0.00 C ATOM 713 CG LEU A 48 -3.715 1.237 4.179 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.668 2.410 4.010 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.658 0.410 2.904 1.00 0.00 C ATOM 0 H LEU A 48 0.007 2.170 3.771 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.521 3.312 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.590 0.955 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.251 1.742 5.663 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.098 0.614 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.654 2.040 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.740 2.959 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.294 3.073 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.663 0.085 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.244 1.014 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.025 -0.463 3.065 1.00 0.00 H new ATOM 727 N GLU A 49 -0.911 4.670 5.562 1.00 0.00 N ATOM 728 CA GLU A 49 -0.921 5.745 6.545 1.00 0.00 C ATOM 729 C GLU A 49 -1.188 7.084 5.862 1.00 0.00 C ATOM 730 O GLU A 49 -0.917 8.146 6.423 1.00 0.00 O ATOM 731 CB GLU A 49 0.414 5.794 7.289 1.00 0.00 C ATOM 732 CG GLU A 49 0.563 4.711 8.344 1.00 0.00 C ATOM 733 CD GLU A 49 0.633 5.274 9.750 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.018 6.308 10.009 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.338 4.681 10.594 1.00 0.00 O ATOM 0 H GLU A 49 0.021 4.359 5.288 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.718 5.552 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.226 5.701 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.520 6.769 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.279 4.022 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.465 4.134 8.142 1.00 0.00 H new ATOM 742 N ILE A 50 -1.716 7.019 4.641 1.00 0.00 N ATOM 743 CA ILE A 50 -2.015 8.216 3.865 1.00 0.00 C ATOM 744 C ILE A 50 -3.376 8.793 4.256 1.00 0.00 C ATOM 745 O ILE A 50 -4.189 8.117 4.887 1.00 0.00 O ATOM 746 CB ILE A 50 -1.973 7.912 2.346 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.196 9.002 1.606 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.375 7.766 1.766 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.655 8.549 0.266 1.00 0.00 C ATOM 0 H ILE A 50 -1.946 6.145 4.168 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.250 8.960 4.088 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.459 6.960 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.847 9.863 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.367 9.335 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.307 7.553 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.893 6.948 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.929 8.692 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.115 9.370 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.021 7.707 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.481 8.243 -0.375 1.00 0.00 H new ATOM 761 N ASP A 51 -3.608 10.052 3.894 1.00 0.00 N ATOM 762 CA ASP A 51 -4.857 10.729 4.227 1.00 0.00 C ATOM 763 C ASP A 51 -6.029 10.178 3.426 1.00 0.00 C ATOM 764 O ASP A 51 -5.845 9.601 2.354 1.00 0.00 O ATOM 765 CB ASP A 51 -4.726 12.227 3.955 1.00 0.00 C ATOM 766 CG ASP A 51 -4.028 12.963 5.080 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.779 12.965 5.104 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.730 13.539 5.939 1.00 0.00 O ATOM 0 H ASP A 51 -2.946 10.624 3.369 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.052 10.554 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.172 12.377 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.718 12.654 3.806 1.00 0.00 H new ATOM 773 N ASN A 52 -7.239 10.394 3.937 1.00 0.00 N ATOM 774 CA ASN A 52 -8.447 9.972 3.239 1.00 0.00 C ATOM 775 C ASN A 52 -8.841 11.023 2.208 1.00 0.00 C ATOM 776 O ASN A 52 -9.451 10.712 1.187 1.00 0.00 O ATOM 777 CB ASN A 52 -9.593 9.740 4.228 1.00 0.00 C ATOM 778 CG ASN A 52 -9.632 8.314 4.751 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.257 7.414 3.994 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.110 8.024 5.827 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.407 10.858 4.830 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.244 9.030 2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.489 10.428 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.541 9.971 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.641 8.744 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.147 7.064 6.169 1.00 0.00 H new ATOM 787 N SER A 53 -8.479 12.274 2.482 1.00 0.00 N ATOM 788 CA SER A 53 -8.744 13.366 1.555 1.00 0.00 C ATOM 789 C SER A 53 -7.782 13.289 0.373 1.00 0.00 C ATOM 790 O SER A 53 -8.120 13.653 -0.755 1.00 0.00 O ATOM 791 CB SER A 53 -8.602 14.715 2.264 1.00 0.00 C ATOM 792 OG SER A 53 -8.026 15.686 1.406 1.00 0.00 O ATOM 0 H SER A 53 -8.002 12.554 3.339 1.00 0.00 H new ATOM 0 HA SER A 53 -9.766 13.274 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.581 15.057 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.983 14.598 3.153 1.00 0.00 H new ATOM 0 HG SER A 53 -7.948 16.539 1.883 1.00 0.00 H new ATOM 798 N GLU A 54 -6.579 12.799 0.642 1.00 0.00 N ATOM 799 CA GLU A 54 -5.569 12.646 -0.391 1.00 0.00 C ATOM 800 C GLU A 54 -5.855 11.414 -1.237 1.00 0.00 C ATOM 801 O GLU A 54 -5.477 11.349 -2.404 1.00 0.00 O ATOM 802 CB GLU A 54 -4.179 12.537 0.236 1.00 0.00 C ATOM 803 CG GLU A 54 -3.524 13.883 0.492 1.00 0.00 C ATOM 804 CD GLU A 54 -2.146 13.989 -0.131 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.009 13.662 -1.329 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.203 14.400 0.578 1.00 0.00 O ATOM 0 H GLU A 54 -6.280 12.501 1.571 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.599 13.527 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.255 11.994 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.538 11.949 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.160 14.674 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.446 14.046 1.567 1.00 0.00 H new ATOM 813 N LEU A 55 -6.537 10.441 -0.640 1.00 0.00 N ATOM 814 CA LEU A 55 -6.874 9.211 -1.343 1.00 0.00 C ATOM 815 C LEU A 55 -7.780 9.503 -2.533 1.00 0.00 C ATOM 816 O LEU A 55 -7.510 9.063 -3.650 1.00 0.00 O ATOM 817 CB LEU A 55 -7.526 8.201 -0.383 1.00 0.00 C ATOM 818 CG LEU A 55 -9.058 8.240 -0.276 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.713 7.456 -1.405 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.506 7.687 1.067 1.00 0.00 C ATOM 0 H LEU A 55 -6.865 10.481 0.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.954 8.767 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.232 7.198 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.111 8.361 0.612 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.371 9.281 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.797 7.504 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.422 7.886 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.390 6.416 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.594 7.720 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.168 6.655 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.078 8.288 1.869 1.00 0.00 H new ATOM 832 N LEU A 56 -8.842 10.265 -2.290 1.00 0.00 N ATOM 833 CA LEU A 56 -9.789 10.604 -3.344 1.00 0.00 C ATOM 834 C LEU A 56 -9.100 11.349 -4.476 1.00 0.00 C ATOM 835 O LEU A 56 -9.365 11.095 -5.652 1.00 0.00 O ATOM 836 CB LEU A 56 -10.940 11.444 -2.796 1.00 0.00 C ATOM 837 CG LEU A 56 -10.546 12.518 -1.784 1.00 0.00 C ATOM 838 CD1 LEU A 56 -10.674 13.902 -2.400 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.403 12.407 -0.531 1.00 0.00 C ATOM 0 H LEU A 56 -9.067 10.658 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.193 9.670 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.446 11.926 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.663 10.776 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.504 12.364 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.389 14.655 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.019 13.976 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.706 14.069 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.110 13.179 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.452 12.537 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.261 11.425 -0.079 1.00 0.00 H new ATOM 851 N HIS A 57 -8.204 12.260 -4.118 1.00 0.00 N ATOM 852 CA HIS A 57 -7.488 13.047 -5.113 1.00 0.00 C ATOM 853 C HIS A 57 -6.617 12.166 -6.008 1.00 0.00 C ATOM 854 O HIS A 57 -6.237 12.570 -7.104 1.00 0.00 O ATOM 855 CB HIS A 57 -6.625 14.107 -4.428 1.00 0.00 C ATOM 856 CG HIS A 57 -7.217 15.483 -4.469 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.361 16.166 -5.653 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.680 16.252 -3.454 1.00 0.00 C ATOM 859 CE1 HIS A 57 -7.905 17.327 -5.338 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.116 17.424 -4.017 1.00 0.00 N ATOM 0 H HIS A 57 -7.957 12.471 -3.151 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.231 13.536 -5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.468 13.819 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.645 14.128 -4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.701 15.993 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.149 18.099 -6.052 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.524 18.219 -3.524 1.00 0.00 H new ATOM 868 N MET A 58 -6.294 10.966 -5.532 1.00 0.00 N ATOM 869 CA MET A 58 -5.443 10.043 -6.285 1.00 0.00 C ATOM 870 C MET A 58 -6.204 9.359 -7.417 1.00 0.00 C ATOM 871 O MET A 58 -5.837 9.495 -8.584 1.00 0.00 O ATOM 872 CB MET A 58 -4.836 9.008 -5.341 1.00 0.00 C ATOM 873 CG MET A 58 -3.780 9.585 -4.402 1.00 0.00 C ATOM 874 SD MET A 58 -3.585 11.375 -4.551 1.00 0.00 S ATOM 875 CE MET A 58 -2.015 11.490 -5.400 1.00 0.00 C ATOM 0 H MET A 58 -6.607 10.609 -4.630 1.00 0.00 H new ATOM 0 HA MET A 58 -4.643 10.624 -6.743 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.632 8.559 -4.747 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.388 8.208 -5.931 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.047 9.341 -3.374 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.823 9.105 -4.605 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.360 12.176 -4.862 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.552 10.504 -5.443 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.175 11.860 -6.413 1.00 0.00 H new ATOM 885 N LEU A 59 -7.260 8.621 -7.083 1.00 0.00 N ATOM 886 CA LEU A 59 -8.044 7.941 -8.110 1.00 0.00 C ATOM 887 C LEU A 59 -8.758 8.956 -8.990 1.00 0.00 C ATOM 888 O LEU A 59 -9.387 8.598 -9.987 1.00 0.00 O ATOM 889 CB LEU A 59 -9.047 6.957 -7.500 1.00 0.00 C ATOM 890 CG LEU A 59 -10.206 7.579 -6.721 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.321 6.563 -6.534 1.00 0.00 C ATOM 892 CD2 LEU A 59 -9.732 8.087 -5.374 1.00 0.00 C ATOM 0 H LEU A 59 -7.588 8.480 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.354 7.364 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.461 6.346 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.507 6.284 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.591 8.423 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.140 7.020 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.683 6.236 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.941 5.704 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.571 8.526 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.323 7.258 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.960 8.843 -5.521 1.00 0.00 H new ATOM 904 N GLU A 60 -8.621 10.227 -8.634 1.00 0.00 N ATOM 905 CA GLU A 60 -9.206 11.305 -9.411 1.00 0.00 C ATOM 906 C GLU A 60 -8.118 12.014 -10.219 1.00 0.00 C ATOM 907 O GLU A 60 -8.402 12.681 -11.216 1.00 0.00 O ATOM 908 CB GLU A 60 -9.936 12.291 -8.485 1.00 0.00 C ATOM 909 CG GLU A 60 -9.761 13.757 -8.857 1.00 0.00 C ATOM 910 CD GLU A 60 -10.308 14.698 -7.801 1.00 0.00 C ATOM 911 OE1 GLU A 60 -10.211 14.365 -6.601 1.00 0.00 O ATOM 912 OE2 GLU A 60 -10.833 15.768 -8.174 1.00 0.00 O ATOM 0 H GLU A 60 -8.107 10.534 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.936 10.891 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.000 12.053 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.580 12.143 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.702 13.965 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.264 13.950 -9.805 1.00 0.00 H new ATOM 919 N SER A 61 -6.868 11.828 -9.801 1.00 0.00 N ATOM 920 CA SER A 61 -5.728 12.433 -10.484 1.00 0.00 C ATOM 921 C SER A 61 -4.734 11.372 -10.939 1.00 0.00 C ATOM 922 O SER A 61 -3.779 11.079 -10.234 1.00 0.00 O ATOM 923 CB SER A 61 -5.019 13.436 -9.571 1.00 0.00 C ATOM 924 OG SER A 61 -4.484 14.516 -10.317 1.00 0.00 O ATOM 0 H SER A 61 -6.619 11.261 -8.990 1.00 0.00 H new ATOM 0 HA SER A 61 -6.112 12.955 -11.361 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.721 13.815 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.219 12.934 -9.027 1.00 0.00 H new ATOM 0 HG SER A 61 -3.654 14.825 -9.897 1.00 0.00 H new ATOM 930 N PRO A 62 -4.929 10.800 -12.138 1.00 0.00 N ATOM 931 CA PRO A 62 -4.033 9.769 -12.674 1.00 0.00 C ATOM 932 C PRO A 62 -2.572 10.215 -12.701 1.00 0.00 C ATOM 933 O PRO A 62 -1.664 9.403 -12.522 1.00 0.00 O ATOM 934 CB PRO A 62 -4.551 9.550 -14.098 1.00 0.00 C ATOM 935 CG PRO A 62 -5.980 9.968 -14.051 1.00 0.00 C ATOM 936 CD PRO A 62 -6.047 11.093 -13.057 1.00 0.00 C ATOM 0 HA PRO A 62 -4.041 8.869 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.989 10.143 -14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.454 8.507 -14.398 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.324 10.293 -15.033 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.620 9.139 -13.747 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.928 12.063 -13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.003 11.112 -12.534 1.00 0.00 H new ATOM 944 N GLU A 63 -2.351 11.505 -12.944 1.00 0.00 N ATOM 945 CA GLU A 63 -0.999 12.050 -13.017 1.00 0.00 C ATOM 946 C GLU A 63 -0.397 12.255 -11.623 1.00 0.00 C ATOM 947 O GLU A 63 0.734 11.843 -11.363 1.00 0.00 O ATOM 948 CB GLU A 63 -1.007 13.364 -13.819 1.00 0.00 C ATOM 949 CG GLU A 63 -0.576 14.596 -13.034 1.00 0.00 C ATOM 950 CD GLU A 63 0.929 14.780 -13.010 1.00 0.00 C ATOM 951 OE1 GLU A 63 1.613 14.195 -13.876 1.00 0.00 O ATOM 952 OE2 GLU A 63 1.424 15.509 -12.125 1.00 0.00 O ATOM 0 H GLU A 63 -3.091 12.191 -13.093 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.366 11.328 -13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.349 13.251 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.012 13.531 -14.206 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.039 15.480 -13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.944 14.517 -12.011 1.00 0.00 H new ATOM 959 N SER A 64 -1.156 12.890 -10.734 1.00 0.00 N ATOM 960 CA SER A 64 -0.685 13.160 -9.378 1.00 0.00 C ATOM 961 C SER A 64 -0.651 11.886 -8.546 1.00 0.00 C ATOM 962 O SER A 64 0.117 11.769 -7.590 1.00 0.00 O ATOM 963 CB SER A 64 -1.594 14.191 -8.700 1.00 0.00 C ATOM 964 OG SER A 64 -1.695 15.371 -9.476 1.00 0.00 O ATOM 0 H SER A 64 -2.099 13.227 -10.928 1.00 0.00 H new ATOM 0 HA SER A 64 0.328 13.556 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.586 13.764 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.200 14.434 -7.713 1.00 0.00 H new ATOM 0 HG SER A 64 -2.282 16.012 -9.022 1.00 0.00 H new ATOM 970 N LEU A 65 -1.503 10.942 -8.914 1.00 0.00 N ATOM 971 CA LEU A 65 -1.614 9.678 -8.202 1.00 0.00 C ATOM 972 C LEU A 65 -0.476 8.740 -8.569 1.00 0.00 C ATOM 973 O LEU A 65 0.329 8.372 -7.715 1.00 0.00 O ATOM 974 CB LEU A 65 -2.964 9.028 -8.528 1.00 0.00 C ATOM 975 CG LEU A 65 -3.187 7.580 -8.041 1.00 0.00 C ATOM 976 CD1 LEU A 65 -3.028 6.620 -9.202 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.270 7.180 -6.887 1.00 0.00 C ATOM 0 H LEU A 65 -2.134 11.029 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.551 9.874 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.750 9.652 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.094 9.044 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.203 7.529 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.186 5.599 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.760 6.858 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.023 6.711 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.480 6.151 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.230 7.262 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.444 7.841 -6.038 1.00 0.00 H new ATOM 989 N ARG A 66 -0.447 8.308 -9.824 1.00 0.00 N ATOM 990 CA ARG A 66 0.570 7.372 -10.269 1.00 0.00 C ATOM 991 C ARG A 66 1.961 7.848 -9.860 1.00 0.00 C ATOM 992 O ARG A 66 2.861 7.041 -9.637 1.00 0.00 O ATOM 993 CB ARG A 66 0.502 7.177 -11.782 1.00 0.00 C ATOM 994 CG ARG A 66 0.849 5.765 -12.224 1.00 0.00 C ATOM 995 CD ARG A 66 1.910 5.765 -13.313 1.00 0.00 C ATOM 996 NE ARG A 66 3.157 6.377 -12.863 1.00 0.00 N ATOM 997 CZ ARG A 66 3.890 7.195 -13.614 1.00 0.00 C ATOM 998 NH1 ARG A 66 3.500 7.501 -14.844 1.00 0.00 N ATOM 999 NH2 ARG A 66 5.013 7.710 -13.132 1.00 0.00 N ATOM 0 H ARG A 66 -1.112 8.590 -10.544 1.00 0.00 H new ATOM 0 HA ARG A 66 0.377 6.413 -9.787 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.502 7.422 -12.128 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.184 7.878 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.205 5.192 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.049 5.266 -12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.103 4.740 -13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.536 6.303 -14.184 1.00 0.00 H new ATOM 0 HE ARG A 66 3.484 6.166 -11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.636 7.109 -15.217 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.065 8.128 -15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.315 7.479 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.575 8.337 -13.708 1.00 0.00 H new ATOM 1013 N SER A 67 2.119 9.164 -9.741 1.00 0.00 N ATOM 1014 CA SER A 67 3.388 9.750 -9.322 1.00 0.00 C ATOM 1015 C SER A 67 3.666 9.417 -7.860 1.00 0.00 C ATOM 1016 O SER A 67 4.796 9.090 -7.488 1.00 0.00 O ATOM 1017 CB SER A 67 3.363 11.267 -9.514 1.00 0.00 C ATOM 1018 OG SER A 67 4.113 11.650 -10.654 1.00 0.00 O ATOM 0 H SER A 67 1.383 9.845 -9.929 1.00 0.00 H new ATOM 0 HA SER A 67 4.183 9.330 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.333 11.606 -9.622 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.768 11.755 -8.628 1.00 0.00 H new ATOM 0 HG SER A 67 4.080 12.624 -10.755 1.00 0.00 H new ATOM 1024 N LYS A 68 2.617 9.455 -7.044 1.00 0.00 N ATOM 1025 CA LYS A 68 2.736 9.136 -5.627 1.00 0.00 C ATOM 1026 C LYS A 68 3.121 7.678 -5.448 1.00 0.00 C ATOM 1027 O LYS A 68 4.164 7.362 -4.875 1.00 0.00 O ATOM 1028 CB LYS A 68 1.408 9.385 -4.907 1.00 0.00 C ATOM 1029 CG LYS A 68 1.353 10.704 -4.150 1.00 0.00 C ATOM 1030 CD LYS A 68 0.771 10.528 -2.755 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.621 9.917 -2.798 1.00 0.00 C ATOM 1032 NZ LYS A 68 -1.597 10.696 -1.985 1.00 0.00 N ATOM 0 H LYS A 68 1.674 9.704 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 68 3.507 9.778 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.600 9.364 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.227 8.569 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.356 11.123 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.749 11.419 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.429 9.892 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.728 11.495 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.965 9.871 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.579 8.892 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.126 10.050 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.088 11.393 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.259 11.189 -2.617 1.00 0.00 H new ATOM 1046 N VAL A 69 2.270 6.793 -5.950 1.00 0.00 N ATOM 1047 CA VAL A 69 2.511 5.366 -5.837 1.00 0.00 C ATOM 1048 C VAL A 69 3.781 4.965 -6.582 1.00 0.00 C ATOM 1049 O VAL A 69 4.379 3.929 -6.291 1.00 0.00 O ATOM 1050 CB VAL A 69 1.311 4.547 -6.348 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.658 3.071 -6.441 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.115 4.754 -5.438 1.00 0.00 C ATOM 0 H VAL A 69 1.409 7.040 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 69 2.644 5.144 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 69 1.059 4.896 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.793 2.516 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.491 2.936 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.939 2.700 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.729 4.171 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.366 4.430 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.153 5.811 -5.424 1.00 0.00 H new ATOM 1062 N ASP A 70 4.214 5.802 -7.521 1.00 0.00 N ATOM 1063 CA ASP A 70 5.455 5.546 -8.240 1.00 0.00 C ATOM 1064 C ASP A 70 6.587 5.373 -7.237 1.00 0.00 C ATOM 1065 O ASP A 70 7.321 4.385 -7.264 1.00 0.00 O ATOM 1066 CB ASP A 70 5.772 6.692 -9.201 1.00 0.00 C ATOM 1067 CG ASP A 70 7.129 6.537 -9.860 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.256 5.685 -10.765 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.065 7.268 -9.471 1.00 0.00 O ATOM 0 H ASP A 70 3.728 6.655 -7.799 1.00 0.00 H new ATOM 0 HA ASP A 70 5.344 4.635 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.001 6.741 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.741 7.637 -8.658 1.00 0.00 H new ATOM 1074 N GLU A 71 6.680 6.321 -6.310 1.00 0.00 N ATOM 1075 CA GLU A 71 7.671 6.247 -5.249 1.00 0.00 C ATOM 1076 C GLU A 71 7.323 5.110 -4.296 1.00 0.00 C ATOM 1077 O GLU A 71 8.197 4.532 -3.654 1.00 0.00 O ATOM 1078 CB GLU A 71 7.737 7.568 -4.481 1.00 0.00 C ATOM 1079 CG GLU A 71 8.979 7.707 -3.614 1.00 0.00 C ATOM 1080 CD GLU A 71 9.264 9.144 -3.223 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.603 10.053 -3.770 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.150 9.361 -2.368 1.00 0.00 O ATOM 0 H GLU A 71 6.082 7.146 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 71 8.647 6.057 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.706 8.394 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.852 7.657 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.856 7.107 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.838 7.304 -4.150 1.00 0.00 H new ATOM 1089 N ALA A 72 6.031 4.790 -4.229 1.00 0.00 N ATOM 1090 CA ALA A 72 5.542 3.724 -3.362 1.00 0.00 C ATOM 1091 C ALA A 72 6.123 2.372 -3.762 1.00 0.00 C ATOM 1092 O ALA A 72 6.672 1.660 -2.924 1.00 0.00 O ATOM 1093 CB ALA A 72 4.024 3.686 -3.379 1.00 0.00 C ATOM 0 H ALA A 72 5.303 5.258 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 72 5.874 3.936 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.673 2.886 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.632 4.640 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.676 3.505 -4.396 1.00 0.00 H new ATOM 1099 N VAL A 73 6.008 2.015 -5.041 1.00 0.00 N ATOM 1100 CA VAL A 73 6.576 0.759 -5.519 1.00 0.00 C ATOM 1101 C VAL A 73 8.066 0.727 -5.208 1.00 0.00 C ATOM 1102 O VAL A 73 8.648 -0.336 -4.986 1.00 0.00 O ATOM 1103 CB VAL A 73 6.364 0.547 -7.036 1.00 0.00 C ATOM 1104 CG1 VAL A 73 4.910 0.783 -7.427 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.298 1.439 -7.842 1.00 0.00 C ATOM 0 H VAL A 73 5.534 2.569 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 73 6.056 -0.048 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 73 6.605 -0.491 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.792 0.627 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.270 0.086 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.627 1.805 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.131 1.273 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.100 2.484 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.332 1.200 -7.595 1.00 0.00 H new ATOM 1115 N ALA A 74 8.665 1.913 -5.154 1.00 0.00 N ATOM 1116 CA ALA A 74 10.083 2.047 -4.853 1.00 0.00 C ATOM 1117 C ALA A 74 10.368 1.761 -3.380 1.00 0.00 C ATOM 1118 O ALA A 74 11.448 1.284 -3.035 1.00 0.00 O ATOM 1119 CB ALA A 74 10.575 3.435 -5.231 1.00 0.00 C ATOM 0 H ALA A 74 8.185 2.799 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 74 10.623 1.309 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.637 3.520 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.422 3.597 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.020 4.184 -4.666 1.00 0.00 H new ATOM 1125 N VAL A 75 9.402 2.058 -2.511 1.00 0.00 N ATOM 1126 CA VAL A 75 9.574 1.814 -1.079 1.00 0.00 C ATOM 1127 C VAL A 75 9.636 0.316 -0.795 1.00 0.00 C ATOM 1128 O VAL A 75 10.398 -0.132 0.062 1.00 0.00 O ATOM 1129 CB VAL A 75 8.452 2.465 -0.228 1.00 0.00 C ATOM 1130 CG1 VAL A 75 7.983 3.765 -0.858 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.278 1.516 -0.024 1.00 0.00 C ATOM 0 H VAL A 75 8.502 2.463 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 75 10.517 2.280 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 75 8.873 2.686 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.196 4.204 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.820 4.460 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.595 3.566 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.513 2.008 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.859 1.242 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.621 0.618 0.490 1.00 0.00 H new ATOM 1141 N LEU A 76 8.835 -0.452 -1.527 1.00 0.00 N ATOM 1142 CA LEU A 76 8.801 -1.898 -1.366 1.00 0.00 C ATOM 1143 C LEU A 76 10.069 -2.538 -1.920 1.00 0.00 C ATOM 1144 O LEU A 76 10.726 -3.325 -1.238 1.00 0.00 O ATOM 1145 CB LEU A 76 7.576 -2.476 -2.071 1.00 0.00 C ATOM 1146 CG LEU A 76 7.615 -3.988 -2.287 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.383 -4.638 -1.683 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.729 -4.308 -3.769 1.00 0.00 C ATOM 0 H LEU A 76 8.199 -0.093 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 76 8.741 -2.120 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.689 -2.229 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.467 -1.987 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 76 8.494 -4.393 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.424 -5.715 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.351 -4.432 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.489 -4.234 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.756 -5.389 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.869 -3.896 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.644 -3.869 -4.167 1.00 0.00 H new ATOM 1160 N GLN A 77 10.391 -2.216 -3.169 1.00 0.00 N ATOM 1161 CA GLN A 77 11.585 -2.754 -3.810 1.00 0.00 C ATOM 1162 C GLN A 77 12.816 -2.431 -2.973 1.00 0.00 C ATOM 1163 O GLN A 77 13.741 -3.235 -2.866 1.00 0.00 O ATOM 1164 CB GLN A 77 11.732 -2.192 -5.226 1.00 0.00 C ATOM 1165 CG GLN A 77 11.999 -0.696 -5.281 1.00 0.00 C ATOM 1166 CD GLN A 77 13.474 -0.365 -5.407 1.00 0.00 C ATOM 1167 OE1 GLN A 77 14.337 -1.185 -5.091 1.00 0.00 O ATOM 1168 NE2 GLN A 77 13.770 0.842 -5.875 1.00 0.00 N ATOM 0 H GLN A 77 9.843 -1.587 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 77 11.488 -3.837 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.547 -2.713 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.822 -2.408 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.462 -0.267 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.602 -0.228 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.023 1.490 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.745 1.121 -5.985 1.00 0.00 H new ATOM 1177 N ALA A 78 12.793 -1.259 -2.352 1.00 0.00 N ATOM 1178 CA ALA A 78 13.879 -0.829 -1.481 1.00 0.00 C ATOM 1179 C ALA A 78 13.741 -1.460 -0.099 1.00 0.00 C ATOM 1180 O ALA A 78 14.711 -1.557 0.652 1.00 0.00 O ATOM 1181 CB ALA A 78 13.905 0.688 -1.373 1.00 0.00 C ATOM 0 H ALA A 78 12.031 -0.587 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 78 14.821 -1.161 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.722 0.992 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.052 1.121 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.959 1.040 -0.960 1.00 0.00 H new ATOM 1187 N HIS A 79 12.525 -1.892 0.228 1.00 0.00 N ATOM 1188 CA HIS A 79 12.256 -2.526 1.514 1.00 0.00 C ATOM 1189 C HIS A 79 12.945 -3.882 1.601 1.00 0.00 C ATOM 1190 O HIS A 79 13.338 -4.318 2.680 1.00 0.00 O ATOM 1191 CB HIS A 79 10.746 -2.689 1.729 1.00 0.00 C ATOM 1192 CG HIS A 79 10.386 -3.244 3.073 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.389 -4.180 3.218 1.00 0.00 N ATOM 1194 CD2 HIS A 79 10.911 -2.965 4.292 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.329 -4.450 4.510 1.00 0.00 C ATOM 1196 NE2 HIS A 79 10.233 -3.738 5.198 1.00 0.00 N ATOM 0 H HIS A 79 11.711 -1.814 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 79 12.655 -1.882 2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.263 -1.720 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.347 -3.345 0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.708 -2.269 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.641 -5.153 4.955 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.387 -3.766 6.206 1.00 0.00 H new ATOM 1538 N ASN B 5 10.121 6.033 1.938 1.00 0.00 N ATOM 1539 CA ASN B 5 10.253 7.064 0.915 1.00 0.00 C ATOM 1540 C ASN B 5 9.149 8.108 1.048 1.00 0.00 C ATOM 1541 O ASN B 5 9.374 9.200 1.569 1.00 0.00 O ATOM 1542 CB ASN B 5 10.215 6.437 -0.480 1.00 0.00 C ATOM 1543 CG ASN B 5 11.572 6.451 -1.158 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.317 7.426 -1.061 1.00 0.00 O ATOM 1545 ND2 ASN B 5 11.899 5.365 -1.849 1.00 0.00 N ATOM 0 HA ASN B 5 11.214 7.559 1.056 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.861 5.409 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.497 6.976 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN B 5 12.799 5.316 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.250 4.580 -1.902 1.00 0.00 H new ATOM 1552 N LEU B 6 7.954 7.765 0.575 1.00 0.00 N ATOM 1553 CA LEU B 6 6.816 8.675 0.646 1.00 0.00 C ATOM 1554 C LEU B 6 6.384 8.890 2.093 1.00 0.00 C ATOM 1555 O LEU B 6 6.770 9.873 2.726 1.00 0.00 O ATOM 1556 CB LEU B 6 5.643 8.127 -0.172 1.00 0.00 C ATOM 1557 CG LEU B 6 5.272 8.944 -1.413 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.013 8.387 -2.056 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.086 10.412 -1.059 1.00 0.00 C ATOM 0 H LEU B 6 7.749 6.866 0.140 1.00 0.00 H new ATOM 0 HA LEU B 6 7.123 9.634 0.229 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.883 7.111 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.768 8.063 0.475 1.00 0.00 H new ATOM 0 HG LEU B 6 6.090 8.869 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.762 8.978 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.182 7.351 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.190 8.431 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.823 10.972 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.288 10.511 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.013 10.806 -0.644 1.00 0.00 H new ATOM 1571 N ASN B 7 5.585 7.962 2.611 1.00 0.00 N ATOM 1572 CA ASN B 7 5.106 8.048 3.984 1.00 0.00 C ATOM 1573 C ASN B 7 6.214 7.696 4.970 1.00 0.00 C ATOM 1574 O ASN B 7 6.784 6.607 4.906 1.00 0.00 O ATOM 1575 CB ASN B 7 3.927 7.103 4.197 1.00 0.00 C ATOM 1576 CG ASN B 7 2.845 7.715 5.060 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.928 7.477 6.364 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.948 8.398 4.564 1.00 0.00 N flip ATOM 0 H ASN B 7 5.256 7.143 2.100 1.00 0.00 H new ATOM 0 HA ASN B 7 4.786 9.075 4.160 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.505 6.829 3.230 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.282 6.183 4.662 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.924 8.554 3.556 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.229 8.807 5.161 1.00 0.00 H new ATOM 1585 N PRO B 8 6.518 8.598 5.919 1.00 0.00 N ATOM 1586 CA PRO B 8 7.544 8.350 6.927 1.00 0.00 C ATOM 1587 C PRO B 8 7.053 7.399 8.012 1.00 0.00 C ATOM 1588 O PRO B 8 7.770 7.105 8.970 1.00 0.00 O ATOM 1589 CB PRO B 8 7.810 9.738 7.504 1.00 0.00 C ATOM 1590 CG PRO B 8 6.519 10.465 7.341 1.00 0.00 C ATOM 1591 CD PRO B 8 5.884 9.921 6.088 1.00 0.00 C ATOM 0 HA PRO B 8 8.432 7.875 6.510 1.00 0.00 H new ATOM 0 HB2 PRO B 8 8.104 9.682 8.552 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.618 10.240 6.972 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.872 10.308 8.204 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.685 11.539 7.258 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.802 9.836 6.192 1.00 0.00 H new ATOM 0 HD3 PRO B 8 6.072 10.567 5.231 1.00 0.00 H new ATOM 1599 N ASN B 9 5.820 6.925 7.854 1.00 0.00 N ATOM 1600 CA ASN B 9 5.224 5.997 8.807 1.00 0.00 C ATOM 1601 C ASN B 9 4.783 4.716 8.108 1.00 0.00 C ATOM 1602 O ASN B 9 3.646 4.272 8.261 1.00 0.00 O ATOM 1603 CB ASN B 9 4.031 6.648 9.507 1.00 0.00 C ATOM 1604 CG ASN B 9 4.389 7.976 10.145 1.00 0.00 C ATOM 1605 OD1 ASN B 9 4.089 9.040 9.602 1.00 0.00 O ATOM 1606 ND2 ASN B 9 5.037 7.921 11.304 1.00 0.00 N ATOM 0 H ASN B 9 5.213 7.170 7.072 1.00 0.00 H new ATOM 0 HA ASN B 9 5.977 5.744 9.553 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.228 6.799 8.785 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.649 5.972 10.272 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.306 8.782 11.779 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.265 7.017 11.718 1.00 0.00 H new ATOM 1613 N ALA B 10 5.677 4.154 7.305 1.00 0.00 N ATOM 1614 CA ALA B 10 5.393 2.925 6.574 1.00 0.00 C ATOM 1615 C ALA B 10 5.072 1.766 7.519 1.00 0.00 C ATOM 1616 O ALA B 10 5.976 1.119 8.047 1.00 0.00 O ATOM 1617 CB ALA B 10 6.568 2.567 5.678 1.00 0.00 C ATOM 0 H ALA B 10 6.610 4.532 7.143 1.00 0.00 H new ATOM 0 HA ALA B 10 4.511 3.100 5.957 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.346 1.648 5.136 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.742 3.374 4.966 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.460 2.422 6.288 1.00 0.00 H new ATOM 1623 N LYS B 11 3.782 1.497 7.709 1.00 0.00 N ATOM 1624 CA LYS B 11 3.346 0.390 8.558 1.00 0.00 C ATOM 1625 C LYS B 11 2.461 -0.566 7.768 1.00 0.00 C ATOM 1626 O LYS B 11 1.804 -0.163 6.813 1.00 0.00 O ATOM 1627 CB LYS B 11 2.584 0.905 9.782 1.00 0.00 C ATOM 1628 CG LYS B 11 3.099 2.232 10.309 1.00 0.00 C ATOM 1629 CD LYS B 11 4.399 2.065 11.078 1.00 0.00 C ATOM 1630 CE LYS B 11 4.967 3.406 11.512 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.965 4.222 12.253 1.00 0.00 N ATOM 0 H LYS B 11 3.021 2.030 7.287 1.00 0.00 H new ATOM 0 HA LYS B 11 4.235 -0.141 8.900 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.530 1.011 9.524 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.645 0.161 10.576 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.254 2.919 9.477 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.348 2.682 10.958 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.226 1.441 11.955 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.127 1.545 10.455 1.00 0.00 H new ATOM 0 HE2 LYS B 11 5.840 3.243 12.144 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.306 3.957 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.416 5.091 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.181 4.472 11.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.597 3.674 13.057 1.00 0.00 H new ATOM 1645 N GLU B 12 2.440 -1.832 8.174 1.00 0.00 N ATOM 1646 CA GLU B 12 1.635 -2.839 7.491 1.00 0.00 C ATOM 1647 C GLU B 12 0.169 -2.414 7.416 1.00 0.00 C ATOM 1648 O GLU B 12 -0.260 -1.499 8.119 1.00 0.00 O ATOM 1649 CB GLU B 12 1.754 -4.186 8.203 1.00 0.00 C ATOM 1650 CG GLU B 12 2.190 -5.319 7.289 1.00 0.00 C ATOM 1651 CD GLU B 12 2.891 -6.435 8.038 1.00 0.00 C ATOM 1652 OE1 GLU B 12 2.191 -7.319 8.575 1.00 0.00 O ATOM 1653 OE2 GLU B 12 4.139 -6.425 8.088 1.00 0.00 O ATOM 0 H GLU B 12 2.970 -2.184 8.971 1.00 0.00 H new ATOM 0 HA GLU B 12 2.014 -2.939 6.474 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.469 -4.094 9.021 1.00 0.00 H new ATOM 0 HB3 GLU B 12 0.792 -4.439 8.648 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.317 -5.723 6.776 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.857 -4.926 6.522 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.595 -3.088 6.560 1.00 0.00 N ATOM 1661 CA PHE B 13 -2.010 -2.775 6.385 1.00 0.00 C ATOM 1662 C PHE B 13 -2.862 -3.558 7.375 1.00 0.00 C ATOM 1663 O PHE B 13 -3.602 -4.467 6.995 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.447 -3.091 4.949 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.813 -2.576 4.574 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.527 -1.731 5.415 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.381 -2.940 3.362 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.777 -1.266 5.053 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.628 -2.476 2.997 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.326 -1.639 3.843 1.00 0.00 C ATOM 0 H PHE B 13 -0.258 -3.854 5.977 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.152 -1.711 6.574 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.714 -2.670 4.261 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.431 -4.172 4.809 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.100 -1.434 6.362 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.840 -3.595 2.695 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.323 -0.612 5.716 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -6.057 -2.768 2.050 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.302 -1.276 3.558 1.00 0.00 H new ATOM 1733 N LYS B 18 -10.074 2.983 9.647 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.464 3.985 8.777 1.00 0.00 C ATOM 1735 C LYS B 18 -8.060 4.340 9.258 1.00 0.00 C ATOM 1736 O LYS B 18 -7.891 4.915 10.332 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.328 5.248 8.733 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.819 4.967 8.649 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.559 5.521 9.856 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.859 4.775 10.105 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.973 5.700 10.452 1.00 0.00 N ATOM 0 HA LYS B 18 -9.394 3.563 7.775 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.129 5.844 9.624 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.032 5.850 7.874 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.223 5.410 7.739 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.984 3.892 8.581 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.923 5.449 10.738 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.770 6.579 9.700 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.125 4.203 9.216 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.717 4.058 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -15.842 5.152 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.730 6.227 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -15.126 6.368 9.670 1.00 0.00 H new ATOM 1755 N TYR B 19 -7.056 3.989 8.458 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.668 4.272 8.807 1.00 0.00 C ATOM 1757 C TYR B 19 -5.272 5.680 8.376 1.00 0.00 C ATOM 1758 O TYR B 19 -5.059 5.940 7.192 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.734 3.241 8.161 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.458 2.979 8.940 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.203 3.618 10.151 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.515 2.073 8.470 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.044 3.370 10.861 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.353 1.820 9.175 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.124 2.470 10.369 1.00 0.00 C ATOM 1766 OH TYR B 19 0.033 2.221 11.072 1.00 0.00 O ATOM 0 H TYR B 19 -7.178 3.509 7.566 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.573 4.206 9.891 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.274 2.301 8.045 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.471 3.583 7.160 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.924 4.320 10.542 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.693 1.558 7.538 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.860 3.878 11.796 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.628 1.117 8.792 1.00 0.00 H new ATOM 0 HH TYR B 19 0.360 3.055 11.470 1.00 0.00 H new