USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 CYS SG : rot 11:sc= 0.247 USER MOD Set 2.2: A 51 THR OG1 : rot -72:sc= 0.895 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= -0.116 USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 164:sc= 0.474 USER MOD Set 4.2: A 8 THR OG1 : rot 81:sc= 0.00936 USER MOD Set 4.3: A 86 ASN :FLIP amide:sc= -3.72! C(o=-5!,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0918 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.988 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -157:sc= -0.274 (180deg=-1.32) USER MOD Single : A 33 HIS : no HD1:sc= -0.57 X(o=-0.57,f=-0.35) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.472 K(o=-0.47,f=-5.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0109 (180deg=-0.154) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00299 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= -4.08! (180deg=-4.08!) USER MOD Single : A 91 SER OG : rot 128:sc= 0.499 USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= -2.45! (180deg=-2.53!) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 96 TYR OH : rot -42:sc= -1.88! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.57! C(o=-1.6!,f=-1.6!) USER MOD Single : A 103 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0392) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.691 -15.276 -6.203 1.00 0.00 N ATOM 2 CA GLY A 1 -26.945 -14.062 -6.479 1.00 0.00 C ATOM 3 C GLY A 1 -25.637 -14.000 -5.715 1.00 0.00 C ATOM 4 O GLY A 1 -25.219 -14.984 -5.105 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.843 -15.799 -7.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.155 -15.869 -5.538 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.611 -15.031 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.741 -13.999 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.555 -13.197 -6.219 1.00 0.00 H new ATOM 8 N SER A 2 -24.987 -12.841 -5.750 1.00 0.00 N ATOM 9 CA SER A 2 -23.716 -12.656 -5.061 1.00 0.00 C ATOM 10 C SER A 2 -23.810 -13.123 -3.612 1.00 0.00 C ATOM 11 O SER A 2 -24.871 -13.048 -2.992 1.00 0.00 O ATOM 12 CB SER A 2 -23.295 -11.186 -5.109 1.00 0.00 C ATOM 13 OG SER A 2 -24.267 -10.357 -4.496 1.00 0.00 O ATOM 0 H SER A 2 -25.320 -12.016 -6.249 1.00 0.00 H new ATOM 0 HA SER A 2 -22.964 -13.259 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.337 -11.062 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.152 -10.879 -6.145 1.00 0.00 H new ATOM 0 HG SER A 2 -23.974 -9.423 -4.538 1.00 0.00 H new ATOM 19 N SER A 3 -22.693 -13.606 -3.079 1.00 0.00 N ATOM 20 CA SER A 3 -22.649 -14.090 -1.704 1.00 0.00 C ATOM 21 C SER A 3 -22.483 -12.931 -0.725 1.00 0.00 C ATOM 22 O SER A 3 -23.097 -12.911 0.341 1.00 0.00 O ATOM 23 CB SER A 3 -21.504 -15.089 -1.528 1.00 0.00 C ATOM 24 OG SER A 3 -21.737 -16.269 -2.278 1.00 0.00 O ATOM 0 H SER A 3 -21.806 -13.673 -3.578 1.00 0.00 H new ATOM 0 HA SER A 3 -23.594 -14.590 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.567 -14.632 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.395 -15.340 -0.473 1.00 0.00 H new ATOM 0 HG SER A 3 -20.990 -16.891 -2.150 1.00 0.00 H new ATOM 30 N GLY A 4 -21.646 -11.967 -1.096 1.00 0.00 N ATOM 31 CA GLY A 4 -21.413 -10.818 -0.241 1.00 0.00 C ATOM 32 C GLY A 4 -20.266 -9.956 -0.729 1.00 0.00 C ATOM 33 O GLY A 4 -19.109 -10.377 -0.703 1.00 0.00 O ATOM 0 H GLY A 4 -21.125 -11.961 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.320 -10.216 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.201 -11.160 0.772 1.00 0.00 H new ATOM 37 N SER A 5 -20.585 -8.745 -1.176 1.00 0.00 N ATOM 38 CA SER A 5 -19.573 -7.824 -1.678 1.00 0.00 C ATOM 39 C SER A 5 -19.652 -6.483 -0.954 1.00 0.00 C ATOM 40 O SER A 5 -20.672 -5.795 -1.009 1.00 0.00 O ATOM 41 CB SER A 5 -19.744 -7.614 -3.183 1.00 0.00 C ATOM 42 OG SER A 5 -18.694 -6.821 -3.711 1.00 0.00 O ATOM 0 H SER A 5 -21.537 -8.379 -1.200 1.00 0.00 H new ATOM 0 HA SER A 5 -18.593 -8.263 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.764 -8.580 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.702 -7.132 -3.379 1.00 0.00 H new ATOM 0 HG SER A 5 -18.826 -6.703 -4.675 1.00 0.00 H new ATOM 48 N SER A 6 -18.569 -6.118 -0.276 1.00 0.00 N ATOM 49 CA SER A 6 -18.516 -4.862 0.462 1.00 0.00 C ATOM 50 C SER A 6 -18.971 -3.698 -0.413 1.00 0.00 C ATOM 51 O SER A 6 -18.748 -3.691 -1.622 1.00 0.00 O ATOM 52 CB SER A 6 -17.097 -4.606 0.974 1.00 0.00 C ATOM 53 OG SER A 6 -17.017 -3.366 1.655 1.00 0.00 O ATOM 0 H SER A 6 -17.716 -6.675 -0.223 1.00 0.00 H new ATOM 0 HA SER A 6 -19.193 -4.940 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.798 -5.412 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.399 -4.611 0.137 1.00 0.00 H new ATOM 0 HG SER A 6 -16.195 -3.338 2.187 1.00 0.00 H new ATOM 59 N GLY A 7 -19.612 -2.713 0.209 1.00 0.00 N ATOM 60 CA GLY A 7 -20.090 -1.557 -0.527 1.00 0.00 C ATOM 61 C GLY A 7 -19.429 -0.269 -0.075 1.00 0.00 C ATOM 62 O GLY A 7 -19.974 0.818 -0.270 1.00 0.00 O ATOM 0 H GLY A 7 -19.809 -2.695 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.903 -1.704 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.169 -1.471 -0.402 1.00 0.00 H new ATOM 66 N THR A 8 -18.252 -0.390 0.531 1.00 0.00 N ATOM 67 CA THR A 8 -17.518 0.773 1.014 1.00 0.00 C ATOM 68 C THR A 8 -16.615 1.343 -0.073 1.00 0.00 C ATOM 69 O THR A 8 -16.295 0.663 -1.048 1.00 0.00 O ATOM 70 CB THR A 8 -16.663 0.425 2.246 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.424 -0.369 3.163 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.177 1.687 2.942 1.00 0.00 C ATOM 0 H THR A 8 -17.787 -1.282 0.699 1.00 0.00 H new ATOM 0 HA THR A 8 -18.260 1.521 1.295 1.00 0.00 H new ATOM 0 HB THR A 8 -15.795 -0.142 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.416 -1.304 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.575 1.415 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.573 2.274 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.034 2.277 3.266 1.00 0.00 H new ATOM 80 N SER A 9 -16.205 2.595 0.101 1.00 0.00 N ATOM 81 CA SER A 9 -15.340 3.258 -0.868 1.00 0.00 C ATOM 82 C SER A 9 -13.889 2.819 -0.690 1.00 0.00 C ATOM 83 O SER A 9 -13.415 2.590 0.422 1.00 0.00 O ATOM 84 CB SER A 9 -15.446 4.777 -0.723 1.00 0.00 C ATOM 85 OG SER A 9 -15.227 5.425 -1.964 1.00 0.00 O ATOM 0 H SER A 9 -16.458 3.171 0.904 1.00 0.00 H new ATOM 0 HA SER A 9 -15.669 2.972 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.432 5.041 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.717 5.127 0.007 1.00 0.00 H new ATOM 0 HG SER A 9 -15.302 6.395 -1.844 1.00 0.00 H new ATOM 91 N PRO A 10 -13.167 2.699 -1.814 1.00 0.00 N ATOM 92 CA PRO A 10 -11.760 2.287 -1.810 1.00 0.00 C ATOM 93 C PRO A 10 -10.845 3.355 -1.220 1.00 0.00 C ATOM 94 O PRO A 10 -11.253 4.491 -0.978 1.00 0.00 O ATOM 95 CB PRO A 10 -11.448 2.076 -3.294 1.00 0.00 C ATOM 96 CG PRO A 10 -12.420 2.948 -4.013 1.00 0.00 C ATOM 97 CD PRO A 10 -13.668 2.956 -3.175 1.00 0.00 C ATOM 0 HA PRO A 10 -11.596 1.402 -1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.420 2.354 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.568 1.031 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.024 3.957 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.624 2.564 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.188 3.912 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.372 2.188 -3.496 1.00 0.00 H new ATOM 105 N PRO A 11 -9.578 2.985 -0.984 1.00 0.00 N ATOM 106 CA PRO A 11 -8.579 3.898 -0.420 1.00 0.00 C ATOM 107 C PRO A 11 -8.178 4.995 -1.400 1.00 0.00 C ATOM 108 O PRO A 11 -7.581 4.725 -2.442 1.00 0.00 O ATOM 109 CB PRO A 11 -7.388 2.982 -0.127 1.00 0.00 C ATOM 110 CG PRO A 11 -7.542 1.844 -1.076 1.00 0.00 C ATOM 111 CD PRO A 11 -9.023 1.647 -1.249 1.00 0.00 C ATOM 0 HA PRO A 11 -8.956 4.424 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.442 3.501 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.398 2.639 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.063 2.064 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.071 0.942 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.268 1.302 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.414 0.905 -0.553 1.00 0.00 H new ATOM 119 N THR A 12 -8.510 6.237 -1.059 1.00 0.00 N ATOM 120 CA THR A 12 -8.186 7.375 -1.908 1.00 0.00 C ATOM 121 C THR A 12 -6.994 8.150 -1.358 1.00 0.00 C ATOM 122 O THR A 12 -6.507 7.865 -0.264 1.00 0.00 O ATOM 123 CB THR A 12 -9.385 8.332 -2.047 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.648 8.974 -0.794 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.625 7.582 -2.508 1.00 0.00 C ATOM 0 H THR A 12 -9.003 6.479 -0.200 1.00 0.00 H new ATOM 0 HA THR A 12 -7.934 6.974 -2.890 1.00 0.00 H new ATOM 0 HB THR A 12 -9.136 9.085 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.410 9.582 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.459 8.278 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.432 7.119 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.875 6.810 -1.780 1.00 0.00 H new ATOM 133 N LEU A 13 -6.527 9.130 -2.123 1.00 0.00 N ATOM 134 CA LEU A 13 -5.391 9.948 -1.712 1.00 0.00 C ATOM 135 C LEU A 13 -4.191 9.074 -1.362 1.00 0.00 C ATOM 136 O LEU A 13 -3.614 9.197 -0.280 1.00 0.00 O ATOM 137 CB LEU A 13 -5.771 10.817 -0.512 1.00 0.00 C ATOM 138 CG LEU A 13 -6.739 11.967 -0.796 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.202 12.607 0.503 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.086 13.002 -1.701 1.00 0.00 C ATOM 0 H LEU A 13 -6.918 9.378 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.117 10.593 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.214 10.176 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.858 11.234 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.612 11.564 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.890 13.423 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.709 11.861 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.340 12.996 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.789 13.813 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.196 13.401 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.805 12.535 -2.645 1.00 0.00 H new ATOM 152 N LEU A 14 -3.818 8.193 -2.283 1.00 0.00 N ATOM 153 CA LEU A 14 -2.684 7.300 -2.073 1.00 0.00 C ATOM 154 C LEU A 14 -1.367 8.016 -2.356 1.00 0.00 C ATOM 155 O LEU A 14 -1.042 8.311 -3.506 1.00 0.00 O ATOM 156 CB LEU A 14 -2.809 6.066 -2.968 1.00 0.00 C ATOM 157 CG LEU A 14 -2.138 4.792 -2.453 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.705 3.910 -3.614 1.00 0.00 C ATOM 159 CD2 LEU A 14 -0.948 5.136 -1.569 1.00 0.00 C ATOM 0 H LEU A 14 -4.284 8.078 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.689 6.986 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.868 5.859 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.387 6.306 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.862 4.239 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.230 3.008 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.577 3.635 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.997 4.454 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.483 4.217 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.222 5.711 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.286 5.727 -0.718 1.00 0.00 H new ATOM 171 N THR A 15 -0.610 8.291 -1.298 1.00 0.00 N ATOM 172 CA THR A 15 0.672 8.971 -1.432 1.00 0.00 C ATOM 173 C THR A 15 1.742 8.301 -0.577 1.00 0.00 C ATOM 174 O THR A 15 1.432 7.622 0.402 1.00 0.00 O ATOM 175 CB THR A 15 0.566 10.455 -1.031 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.440 11.103 -1.818 1.00 0.00 O ATOM 177 CG2 THR A 15 1.899 11.163 -1.219 1.00 0.00 C ATOM 0 H THR A 15 -0.863 8.053 -0.339 1.00 0.00 H new ATOM 0 HA THR A 15 0.956 8.905 -2.482 1.00 0.00 H new ATOM 0 HB THR A 15 0.292 10.506 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.503 12.045 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.799 12.209 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.656 10.685 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.198 11.103 -2.265 1.00 0.00 H new ATOM 185 N VAL A 16 3.002 8.498 -0.952 1.00 0.00 N ATOM 186 CA VAL A 16 4.118 7.914 -0.218 1.00 0.00 C ATOM 187 C VAL A 16 4.447 8.733 1.025 1.00 0.00 C ATOM 188 O VAL A 16 4.539 9.960 0.967 1.00 0.00 O ATOM 189 CB VAL A 16 5.377 7.811 -1.099 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.356 6.804 -0.515 1.00 0.00 C ATOM 191 CG2 VAL A 16 5.000 7.436 -2.524 1.00 0.00 C ATOM 0 H VAL A 16 3.275 9.058 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 16 3.810 6.912 0.081 1.00 0.00 H new ATOM 0 HB VAL A 16 5.865 8.785 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.239 6.745 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.650 7.120 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.881 5.824 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.902 7.368 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.488 6.474 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.340 8.198 -2.938 1.00 0.00 H new ATOM 201 N ASP A 17 4.623 8.048 2.149 1.00 0.00 N ATOM 202 CA ASP A 17 4.944 8.712 3.408 1.00 0.00 C ATOM 203 C ASP A 17 6.448 8.929 3.539 1.00 0.00 C ATOM 204 O ASP A 17 6.900 10.028 3.859 1.00 0.00 O ATOM 205 CB ASP A 17 4.430 7.887 4.589 1.00 0.00 C ATOM 206 CG ASP A 17 4.131 8.742 5.805 1.00 0.00 C ATOM 207 OD1 ASP A 17 4.721 9.838 5.920 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.308 8.317 6.642 1.00 0.00 O ATOM 0 H ASP A 17 4.549 7.033 2.215 1.00 0.00 H new ATOM 0 HA ASP A 17 4.453 9.685 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.526 7.355 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.172 7.133 4.852 1.00 0.00 H new ATOM 213 N SER A 18 7.217 7.874 3.292 1.00 0.00 N ATOM 214 CA SER A 18 8.670 7.949 3.387 1.00 0.00 C ATOM 215 C SER A 18 9.327 6.875 2.526 1.00 0.00 C ATOM 216 O SER A 18 8.673 5.928 2.087 1.00 0.00 O ATOM 217 CB SER A 18 9.115 7.793 4.843 1.00 0.00 C ATOM 218 OG SER A 18 10.348 8.454 5.073 1.00 0.00 O ATOM 0 H SER A 18 6.858 6.957 3.025 1.00 0.00 H new ATOM 0 HA SER A 18 8.984 8.926 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.351 8.200 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.215 6.735 5.085 1.00 0.00 H new ATOM 0 HG SER A 18 10.610 8.341 6.011 1.00 0.00 H new ATOM 224 N VAL A 19 10.626 7.029 2.287 1.00 0.00 N ATOM 225 CA VAL A 19 11.373 6.073 1.478 1.00 0.00 C ATOM 226 C VAL A 19 12.823 5.979 1.939 1.00 0.00 C ATOM 227 O VAL A 19 13.513 6.991 2.070 1.00 0.00 O ATOM 228 CB VAL A 19 11.344 6.455 -0.013 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.304 5.583 -0.807 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.930 6.343 -0.564 1.00 0.00 C ATOM 0 H VAL A 19 11.182 7.807 2.642 1.00 0.00 H new ATOM 0 HA VAL A 19 10.890 5.104 1.606 1.00 0.00 H new ATOM 0 HB VAL A 19 11.667 7.491 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.269 5.868 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.317 5.718 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.015 4.537 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.928 6.617 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.577 5.318 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.271 7.014 -0.014 1.00 0.00 H new ATOM 240 N THR A 20 13.283 4.756 2.184 1.00 0.00 N ATOM 241 CA THR A 20 14.651 4.528 2.631 1.00 0.00 C ATOM 242 C THR A 20 15.234 3.269 2.001 1.00 0.00 C ATOM 243 O THR A 20 14.573 2.232 1.938 1.00 0.00 O ATOM 244 CB THR A 20 14.728 4.403 4.165 1.00 0.00 C ATOM 245 OG1 THR A 20 13.754 5.257 4.775 1.00 0.00 O ATOM 246 CG2 THR A 20 16.116 4.768 4.669 1.00 0.00 C ATOM 0 H THR A 20 12.727 3.907 2.080 1.00 0.00 H new ATOM 0 HA THR A 20 15.234 5.393 2.314 1.00 0.00 H new ATOM 0 HB THR A 20 14.522 3.367 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.808 5.171 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.146 4.672 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.852 4.098 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.346 5.796 4.389 1.00 0.00 H new ATOM 254 N ASP A 21 16.474 3.366 1.534 1.00 0.00 N ATOM 255 CA ASP A 21 17.146 2.232 0.909 1.00 0.00 C ATOM 256 C ASP A 21 16.815 0.934 1.639 1.00 0.00 C ATOM 257 O ASP A 21 16.716 -0.129 1.024 1.00 0.00 O ATOM 258 CB ASP A 21 18.660 2.454 0.898 1.00 0.00 C ATOM 259 CG ASP A 21 19.069 3.610 0.007 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.780 3.554 -1.207 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.679 4.570 0.522 1.00 0.00 O ATOM 0 H ASP A 21 17.034 4.217 1.576 1.00 0.00 H new ATOM 0 HA ASP A 21 16.790 2.150 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.004 2.643 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.155 1.544 0.558 1.00 0.00 H new ATOM 266 N THR A 22 16.645 1.027 2.954 1.00 0.00 N ATOM 267 CA THR A 22 16.327 -0.140 3.768 1.00 0.00 C ATOM 268 C THR A 22 14.887 -0.588 3.547 1.00 0.00 C ATOM 269 O THR A 22 14.621 -1.768 3.315 1.00 0.00 O ATOM 270 CB THR A 22 16.540 0.146 5.266 1.00 0.00 C ATOM 271 OG1 THR A 22 15.687 1.216 5.687 1.00 0.00 O ATOM 272 CG2 THR A 22 17.991 0.506 5.548 1.00 0.00 C ATOM 0 H THR A 22 16.722 1.899 3.478 1.00 0.00 H new ATOM 0 HA THR A 22 17.004 -0.936 3.458 1.00 0.00 H new ATOM 0 HB THR A 22 16.292 -0.757 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.827 1.390 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.117 0.704 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.635 -0.323 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.262 1.395 4.979 1.00 0.00 H new ATOM 280 N THR A 23 13.959 0.361 3.621 1.00 0.00 N ATOM 281 CA THR A 23 12.545 0.063 3.430 1.00 0.00 C ATOM 282 C THR A 23 11.781 1.297 2.965 1.00 0.00 C ATOM 283 O THR A 23 12.292 2.416 3.028 1.00 0.00 O ATOM 284 CB THR A 23 11.902 -0.467 4.726 1.00 0.00 C ATOM 285 OG1 THR A 23 11.993 0.522 5.758 1.00 0.00 O ATOM 286 CG2 THR A 23 12.583 -1.748 5.183 1.00 0.00 C ATOM 0 H THR A 23 14.161 1.342 3.812 1.00 0.00 H new ATOM 0 HA THR A 23 12.486 -0.708 2.662 1.00 0.00 H new ATOM 0 HB THR A 23 10.853 -0.684 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.581 0.178 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.112 -2.103 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.487 -2.508 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.639 -1.552 5.370 1.00 0.00 H new ATOM 294 N VAL A 24 10.554 1.088 2.499 1.00 0.00 N ATOM 295 CA VAL A 24 9.718 2.185 2.026 1.00 0.00 C ATOM 296 C VAL A 24 8.407 2.250 2.800 1.00 0.00 C ATOM 297 O VAL A 24 7.823 1.222 3.143 1.00 0.00 O ATOM 298 CB VAL A 24 9.409 2.046 0.523 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.695 2.029 -0.288 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.588 0.792 0.263 1.00 0.00 C ATOM 0 H VAL A 24 10.117 0.169 2.439 1.00 0.00 H new ATOM 0 HA VAL A 24 10.279 3.105 2.191 1.00 0.00 H new ATOM 0 HB VAL A 24 8.822 2.909 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.456 1.930 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.241 2.958 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.311 1.186 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.378 0.709 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.147 -0.084 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.649 0.851 0.814 1.00 0.00 H new ATOM 310 N THR A 25 7.946 3.468 3.071 1.00 0.00 N ATOM 311 CA THR A 25 6.704 3.669 3.806 1.00 0.00 C ATOM 312 C THR A 25 5.603 4.192 2.890 1.00 0.00 C ATOM 313 O THR A 25 5.857 5.000 1.998 1.00 0.00 O ATOM 314 CB THR A 25 6.895 4.653 4.975 1.00 0.00 C ATOM 315 OG1 THR A 25 8.000 4.242 5.786 1.00 0.00 O ATOM 316 CG2 THR A 25 5.636 4.734 5.826 1.00 0.00 C ATOM 0 H THR A 25 8.415 4.330 2.792 1.00 0.00 H new ATOM 0 HA THR A 25 6.411 2.698 4.204 1.00 0.00 H new ATOM 0 HB THR A 25 7.098 5.640 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.116 4.874 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.795 5.435 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.803 5.077 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.407 3.748 6.231 1.00 0.00 H new ATOM 324 N MET A 26 4.379 3.726 3.118 1.00 0.00 N ATOM 325 CA MET A 26 3.238 4.150 2.314 1.00 0.00 C ATOM 326 C MET A 26 2.083 4.598 3.203 1.00 0.00 C ATOM 327 O MET A 26 1.797 3.976 4.227 1.00 0.00 O ATOM 328 CB MET A 26 2.782 3.012 1.399 1.00 0.00 C ATOM 329 CG MET A 26 3.839 2.576 0.398 1.00 0.00 C ATOM 330 SD MET A 26 4.291 3.890 -0.751 1.00 0.00 S ATOM 331 CE MET A 26 2.677 4.388 -1.348 1.00 0.00 C ATOM 0 H MET A 26 4.152 3.055 3.852 1.00 0.00 H new ATOM 0 HA MET A 26 3.550 4.996 1.702 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.498 2.156 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.889 3.327 0.858 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.728 2.246 0.935 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.470 1.718 -0.164 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.782 4.871 -2.319 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.039 3.510 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.227 5.086 -0.642 1.00 0.00 H new ATOM 341 N ARG A 27 1.422 5.680 2.806 1.00 0.00 N ATOM 342 CA ARG A 27 0.298 6.212 3.568 1.00 0.00 C ATOM 343 C ARG A 27 -0.879 6.529 2.651 1.00 0.00 C ATOM 344 O ARG A 27 -0.694 6.969 1.516 1.00 0.00 O ATOM 345 CB ARG A 27 0.720 7.470 4.329 1.00 0.00 C ATOM 346 CG ARG A 27 0.997 8.663 3.427 1.00 0.00 C ATOM 347 CD ARG A 27 0.957 9.969 4.204 1.00 0.00 C ATOM 348 NE ARG A 27 1.323 11.112 3.372 1.00 0.00 N ATOM 349 CZ ARG A 27 1.323 12.367 3.806 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.979 12.640 5.057 1.00 0.00 N ATOM 351 NH2 ARG A 27 1.668 13.354 2.988 1.00 0.00 N ATOM 0 H ARG A 27 1.645 6.206 1.961 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.016 5.452 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.064 7.736 5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.615 7.249 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.974 8.547 2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.260 8.693 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.044 10.120 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.637 9.906 5.054 1.00 0.00 H new ATOM 0 HE ARG A 27 1.594 10.937 2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.713 11.885 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.980 13.605 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.934 13.149 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.668 14.318 3.323 1.00 0.00 H new ATOM 365 N TRP A 28 -2.089 6.303 3.150 1.00 0.00 N ATOM 366 CA TRP A 28 -3.297 6.565 2.375 1.00 0.00 C ATOM 367 C TRP A 28 -4.406 7.114 3.265 1.00 0.00 C ATOM 368 O TRP A 28 -4.270 7.155 4.488 1.00 0.00 O ATOM 369 CB TRP A 28 -3.768 5.287 1.681 1.00 0.00 C ATOM 370 CG TRP A 28 -3.966 4.137 2.623 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.126 3.783 3.251 1.00 0.00 C ATOM 372 CD2 TRP A 28 -2.975 3.194 3.043 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.915 2.676 4.037 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.604 2.295 3.926 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.618 3.020 2.759 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.921 1.240 4.526 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -0.941 1.973 3.355 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.593 1.094 4.230 1.00 0.00 C ATOM 0 H TRP A 28 -2.260 5.939 4.087 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.060 7.314 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.705 5.488 1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.038 5.004 0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.070 4.297 3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.620 2.213 4.610 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.107 3.692 2.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.422 0.561 5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.108 1.830 3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.036 0.285 4.680 1.00 0.00 H new ATOM 389 N ARG A 29 -5.503 7.535 2.645 1.00 0.00 N ATOM 390 CA ARG A 29 -6.636 8.083 3.381 1.00 0.00 C ATOM 391 C ARG A 29 -7.797 7.094 3.407 1.00 0.00 C ATOM 392 O ARG A 29 -8.101 6.430 2.415 1.00 0.00 O ATOM 393 CB ARG A 29 -7.089 9.403 2.755 1.00 0.00 C ATOM 394 CG ARG A 29 -8.395 9.931 3.325 1.00 0.00 C ATOM 395 CD ARG A 29 -8.150 10.907 4.465 1.00 0.00 C ATOM 396 NE ARG A 29 -9.274 10.953 5.397 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.260 11.643 6.532 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.186 12.342 6.874 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.322 11.636 7.328 1.00 0.00 N ATOM 0 H ARG A 29 -5.632 7.507 1.634 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.316 8.267 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.310 10.151 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.201 9.266 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.964 10.425 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.001 9.098 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.246 10.619 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.975 11.903 4.058 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.116 10.426 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.368 12.351 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.178 12.871 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.150 11.100 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.310 12.166 8.199 1.00 0.00 H new ATOM 413 N PRO A 30 -8.463 6.991 4.567 1.00 0.00 N ATOM 414 CA PRO A 30 -9.601 6.086 4.749 1.00 0.00 C ATOM 415 C PRO A 30 -10.832 6.538 3.970 1.00 0.00 C ATOM 416 O PRO A 30 -10.925 7.679 3.517 1.00 0.00 O ATOM 417 CB PRO A 30 -9.868 6.151 6.255 1.00 0.00 C ATOM 418 CG PRO A 30 -9.337 7.477 6.677 1.00 0.00 C ATOM 419 CD PRO A 30 -8.155 7.752 5.790 1.00 0.00 C ATOM 0 HA PRO A 30 -9.386 5.082 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.932 6.063 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.367 5.338 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.095 8.253 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.042 7.463 7.726 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.046 8.817 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.223 7.419 6.247 1.00 0.00 H new ATOM 427 N PRO A 31 -11.801 5.625 3.811 1.00 0.00 N ATOM 428 CA PRO A 31 -13.044 5.908 3.088 1.00 0.00 C ATOM 429 C PRO A 31 -13.947 6.876 3.844 1.00 0.00 C ATOM 430 O PRO A 31 -14.218 6.690 5.030 1.00 0.00 O ATOM 431 CB PRO A 31 -13.709 4.533 2.976 1.00 0.00 C ATOM 432 CG PRO A 31 -13.164 3.754 4.122 1.00 0.00 C ATOM 433 CD PRO A 31 -11.757 4.246 4.325 1.00 0.00 C ATOM 0 HA PRO A 31 -12.857 6.386 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.795 4.613 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.473 4.056 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -13.764 3.907 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.177 2.685 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.469 4.218 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.036 3.637 3.780 1.00 0.00 H new ATOM 441 N ASP A 32 -14.409 7.910 3.150 1.00 0.00 N ATOM 442 CA ASP A 32 -15.284 8.908 3.755 1.00 0.00 C ATOM 443 C ASP A 32 -16.252 8.257 4.738 1.00 0.00 C ATOM 444 O ASP A 32 -16.477 8.769 5.835 1.00 0.00 O ATOM 445 CB ASP A 32 -16.062 9.659 2.674 1.00 0.00 C ATOM 446 CG ASP A 32 -16.763 8.722 1.710 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.907 8.315 2.003 1.00 0.00 O ATOM 448 OD2 ASP A 32 -16.168 8.397 0.661 1.00 0.00 O ATOM 0 H ASP A 32 -14.192 8.079 2.168 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.662 9.617 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.799 10.309 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.379 10.302 2.119 1.00 0.00 H new ATOM 453 N HIS A 33 -16.823 7.126 4.337 1.00 0.00 N ATOM 454 CA HIS A 33 -17.769 6.406 5.182 1.00 0.00 C ATOM 455 C HIS A 33 -17.721 4.908 4.895 1.00 0.00 C ATOM 456 O HIS A 33 -17.449 4.490 3.769 1.00 0.00 O ATOM 457 CB HIS A 33 -19.187 6.934 4.963 1.00 0.00 C ATOM 458 CG HIS A 33 -19.402 8.313 5.505 1.00 0.00 C ATOM 459 ND1 HIS A 33 -19.801 8.558 6.802 1.00 0.00 N ATOM 460 CD2 HIS A 33 -19.270 9.526 4.918 1.00 0.00 C ATOM 461 CE1 HIS A 33 -19.907 9.862 6.989 1.00 0.00 C ATOM 462 NE2 HIS A 33 -19.590 10.472 5.861 1.00 0.00 N ATOM 0 H HIS A 33 -16.647 6.688 3.433 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.486 6.569 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.405 6.934 3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.896 6.253 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -18.969 9.715 3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -20.203 10.347 7.908 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.584 11.481 5.714 1.00 0.00 H new ATOM 471 N ILE A 34 -17.986 4.105 5.921 1.00 0.00 N ATOM 472 CA ILE A 34 -17.974 2.655 5.778 1.00 0.00 C ATOM 473 C ILE A 34 -19.378 2.115 5.531 1.00 0.00 C ATOM 474 O ILE A 34 -20.257 2.228 6.385 1.00 0.00 O ATOM 475 CB ILE A 34 -17.385 1.971 7.027 1.00 0.00 C ATOM 476 CG1 ILE A 34 -15.882 2.239 7.120 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.661 0.476 6.991 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.487 3.630 6.674 1.00 0.00 C ATOM 0 H ILE A 34 -18.211 4.435 6.860 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.344 2.428 4.918 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.865 2.388 7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.558 2.091 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.352 1.507 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.239 0.007 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.737 0.305 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.205 0.043 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.408 3.749 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.780 3.776 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.989 4.369 7.299 1.00 0.00 H new ATOM 490 N GLY A 35 -19.582 1.524 4.357 1.00 0.00 N ATOM 491 CA GLY A 35 -20.881 0.973 4.019 1.00 0.00 C ATOM 492 C GLY A 35 -21.575 0.351 5.214 1.00 0.00 C ATOM 493 O GLY A 35 -22.367 1.006 5.891 1.00 0.00 O ATOM 0 H GLY A 35 -18.870 1.417 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.511 1.761 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.761 0.220 3.240 1.00 0.00 H new ATOM 497 N ALA A 36 -21.280 -0.919 5.473 1.00 0.00 N ATOM 498 CA ALA A 36 -21.881 -1.629 6.595 1.00 0.00 C ATOM 499 C ALA A 36 -20.972 -2.752 7.085 1.00 0.00 C ATOM 500 O ALA A 36 -20.033 -3.148 6.396 1.00 0.00 O ATOM 501 CB ALA A 36 -23.242 -2.184 6.200 1.00 0.00 C ATOM 0 H ALA A 36 -20.629 -1.477 4.921 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.013 -0.920 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.680 -2.712 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.897 -1.365 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.125 -2.874 5.364 1.00 0.00 H new ATOM 507 N ALA A 37 -21.258 -3.260 8.279 1.00 0.00 N ATOM 508 CA ALA A 37 -20.467 -4.337 8.860 1.00 0.00 C ATOM 509 C ALA A 37 -19.077 -3.847 9.253 1.00 0.00 C ATOM 510 O ALA A 37 -18.129 -4.629 9.322 1.00 0.00 O ATOM 511 CB ALA A 37 -20.363 -5.500 7.885 1.00 0.00 C ATOM 0 H ALA A 37 -22.032 -2.943 8.863 1.00 0.00 H new ATOM 0 HA ALA A 37 -20.972 -4.679 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.769 -6.298 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.361 -5.874 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.884 -5.163 6.966 1.00 0.00 H new ATOM 517 N GLY A 38 -18.962 -2.548 9.508 1.00 0.00 N ATOM 518 CA GLY A 38 -17.684 -1.976 9.890 1.00 0.00 C ATOM 519 C GLY A 38 -16.614 -2.194 8.838 1.00 0.00 C ATOM 520 O GLY A 38 -16.885 -2.750 7.772 1.00 0.00 O ATOM 0 H GLY A 38 -19.732 -1.881 9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.805 -0.907 10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.359 -2.418 10.832 1.00 0.00 H new ATOM 524 N LEU A 39 -15.397 -1.755 9.135 1.00 0.00 N ATOM 525 CA LEU A 39 -14.282 -1.903 8.206 1.00 0.00 C ATOM 526 C LEU A 39 -13.160 -2.728 8.828 1.00 0.00 C ATOM 527 O LEU A 39 -12.742 -2.474 9.958 1.00 0.00 O ATOM 528 CB LEU A 39 -13.751 -0.529 7.792 1.00 0.00 C ATOM 529 CG LEU A 39 -12.314 -0.495 7.270 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.263 -0.941 5.817 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.725 0.900 7.422 1.00 0.00 C ATOM 0 H LEU A 39 -15.156 -1.293 10.012 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.646 -2.427 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.407 -0.126 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.821 0.139 8.650 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.716 -1.188 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.233 -0.910 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.645 -1.959 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.875 -0.274 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.702 0.906 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.325 1.612 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.726 1.183 8.475 1.00 0.00 H new ATOM 543 N ASP A 40 -12.677 -3.716 8.083 1.00 0.00 N ATOM 544 CA ASP A 40 -11.601 -4.577 8.561 1.00 0.00 C ATOM 545 C ASP A 40 -10.273 -4.197 7.914 1.00 0.00 C ATOM 546 O ASP A 40 -9.948 -4.658 6.820 1.00 0.00 O ATOM 547 CB ASP A 40 -11.924 -6.043 8.267 1.00 0.00 C ATOM 548 CG ASP A 40 -13.330 -6.422 8.689 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.222 -5.551 8.626 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.538 -7.589 9.082 1.00 0.00 O ATOM 0 H ASP A 40 -13.013 -3.941 7.146 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.512 -4.441 9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.805 -6.231 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.208 -6.681 8.785 1.00 0.00 H new ATOM 555 N GLY A 41 -9.508 -3.351 8.597 1.00 0.00 N ATOM 556 CA GLY A 41 -8.224 -2.921 8.073 1.00 0.00 C ATOM 557 C GLY A 41 -8.225 -2.806 6.562 1.00 0.00 C ATOM 558 O GLY A 41 -9.193 -2.329 5.969 1.00 0.00 O ATOM 0 H GLY A 41 -9.754 -2.955 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.962 -1.956 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.454 -3.629 8.380 1.00 0.00 H new ATOM 562 N TYR A 42 -7.137 -3.241 5.937 1.00 0.00 N ATOM 563 CA TYR A 42 -7.014 -3.180 4.485 1.00 0.00 C ATOM 564 C TYR A 42 -5.993 -4.197 3.982 1.00 0.00 C ATOM 565 O TYR A 42 -5.358 -4.898 4.769 1.00 0.00 O ATOM 566 CB TYR A 42 -6.608 -1.773 4.045 1.00 0.00 C ATOM 567 CG TYR A 42 -7.158 -0.679 4.933 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.606 -0.429 6.183 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.229 0.104 4.521 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.105 0.568 6.998 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.734 1.105 5.329 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.169 1.333 6.566 1.00 0.00 C ATOM 573 OH TYR A 42 -8.670 2.328 7.374 1.00 0.00 O ATOM 0 H TYR A 42 -6.328 -3.640 6.413 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.985 -3.422 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.520 -1.705 4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.951 -1.607 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.772 -1.025 6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.674 -0.072 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.665 0.748 7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.567 1.705 4.993 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.417 2.772 6.921 1.00 0.00 H new ATOM 583 N VAL A 43 -5.841 -4.269 2.663 1.00 0.00 N ATOM 584 CA VAL A 43 -4.896 -5.198 2.053 1.00 0.00 C ATOM 585 C VAL A 43 -3.915 -4.465 1.144 1.00 0.00 C ATOM 586 O VAL A 43 -4.315 -3.675 0.289 1.00 0.00 O ATOM 587 CB VAL A 43 -5.624 -6.282 1.236 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.625 -7.264 0.643 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.646 -7.004 2.101 1.00 0.00 C ATOM 0 H VAL A 43 -6.359 -3.696 1.997 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.348 -5.673 2.867 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.154 -5.800 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.157 -8.023 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.936 -6.731 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.065 -7.743 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.151 -7.766 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.141 -7.476 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.379 -6.288 2.472 1.00 0.00 H new ATOM 599 N LEU A 44 -2.628 -4.733 1.336 1.00 0.00 N ATOM 600 CA LEU A 44 -1.588 -4.100 0.533 1.00 0.00 C ATOM 601 C LEU A 44 -0.637 -5.143 -0.047 1.00 0.00 C ATOM 602 O LEU A 44 -0.136 -6.007 0.671 1.00 0.00 O ATOM 603 CB LEU A 44 -0.805 -3.094 1.378 1.00 0.00 C ATOM 604 CG LEU A 44 0.051 -2.090 0.606 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.157 -0.779 1.370 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.434 -2.665 0.335 1.00 0.00 C ATOM 0 H LEU A 44 -2.280 -5.384 2.040 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.070 -3.575 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.513 -2.539 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.156 -3.647 2.057 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.432 -1.891 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.770 -0.077 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.839 -0.359 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.616 -0.960 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.029 -1.937 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.925 -2.894 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.340 -3.577 -0.255 1.00 0.00 H new ATOM 618 N GLU A 45 -0.393 -5.053 -1.351 1.00 0.00 N ATOM 619 CA GLU A 45 0.499 -5.988 -2.026 1.00 0.00 C ATOM 620 C GLU A 45 1.435 -5.254 -2.982 1.00 0.00 C ATOM 621 O GLU A 45 1.056 -4.256 -3.595 1.00 0.00 O ATOM 622 CB GLU A 45 -0.310 -7.037 -2.792 1.00 0.00 C ATOM 623 CG GLU A 45 -1.520 -7.549 -2.029 1.00 0.00 C ATOM 624 CD GLU A 45 -2.757 -6.704 -2.261 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.953 -5.720 -1.517 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.530 -7.026 -3.188 1.00 0.00 O ATOM 0 H GLU A 45 -0.800 -4.343 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 45 1.101 -6.487 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.642 -6.608 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.339 -7.879 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.725 -8.577 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.292 -7.567 -0.963 1.00 0.00 H new ATOM 633 N TYR A 46 2.659 -5.756 -3.104 1.00 0.00 N ATOM 634 CA TYR A 46 3.650 -5.147 -3.982 1.00 0.00 C ATOM 635 C TYR A 46 4.162 -6.154 -5.008 1.00 0.00 C ATOM 636 O TYR A 46 4.393 -7.321 -4.687 1.00 0.00 O ATOM 637 CB TYR A 46 4.820 -4.598 -3.163 1.00 0.00 C ATOM 638 CG TYR A 46 5.650 -5.672 -2.498 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.151 -6.399 -1.425 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.934 -5.960 -2.944 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.907 -7.381 -0.813 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.697 -6.941 -2.340 1.00 0.00 C ATOM 643 CZ TYR A 46 7.179 -7.648 -1.275 1.00 0.00 C ATOM 644 OH TYR A 46 7.934 -8.626 -0.670 1.00 0.00 O ATOM 0 H TYR A 46 2.988 -6.583 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 46 3.170 -4.326 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.462 -4.006 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.433 -3.924 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.155 -6.193 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.343 -5.408 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.504 -7.936 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.693 -7.153 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 46 8.804 -8.690 -1.116 1.00 0.00 H new ATOM 654 N CYS A 47 4.337 -5.695 -6.242 1.00 0.00 N ATOM 655 CA CYS A 47 4.822 -6.555 -7.316 1.00 0.00 C ATOM 656 C CYS A 47 6.233 -6.157 -7.737 1.00 0.00 C ATOM 657 O CYS A 47 6.453 -5.057 -8.245 1.00 0.00 O ATOM 658 CB CYS A 47 3.879 -6.485 -8.518 1.00 0.00 C ATOM 659 SG CYS A 47 4.295 -7.634 -9.851 1.00 0.00 S ATOM 0 H CYS A 47 4.150 -4.733 -6.524 1.00 0.00 H new ATOM 0 HA CYS A 47 4.849 -7.579 -6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.863 -6.689 -8.181 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.886 -5.469 -8.913 1.00 0.00 H new ATOM 0 HG CYS A 47 5.199 -8.471 -9.436 1.00 0.00 H new ATOM 665 N PHE A 48 7.185 -7.058 -7.520 1.00 0.00 N ATOM 666 CA PHE A 48 8.576 -6.800 -7.875 1.00 0.00 C ATOM 667 C PHE A 48 8.791 -6.950 -9.378 1.00 0.00 C ATOM 668 O PHE A 48 8.325 -7.911 -9.989 1.00 0.00 O ATOM 669 CB PHE A 48 9.503 -7.753 -7.118 1.00 0.00 C ATOM 670 CG PHE A 48 10.854 -7.167 -6.821 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.854 -7.179 -7.779 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.122 -6.603 -5.584 1.00 0.00 C ATOM 673 CE1 PHE A 48 13.098 -6.641 -7.509 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.364 -6.064 -5.308 1.00 0.00 C ATOM 675 CZ PHE A 48 13.353 -6.081 -6.272 1.00 0.00 C ATOM 0 H PHE A 48 7.019 -7.973 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 48 8.812 -5.774 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.027 -8.042 -6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.632 -8.663 -7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.659 -7.614 -8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.352 -6.585 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.870 -6.658 -8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.561 -5.630 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.323 -5.657 -6.059 1.00 0.00 H new ATOM 685 N GLU A 49 9.501 -5.992 -9.967 1.00 0.00 N ATOM 686 CA GLU A 49 9.776 -6.017 -11.399 1.00 0.00 C ATOM 687 C GLU A 49 10.428 -7.336 -11.804 1.00 0.00 C ATOM 688 O GLU A 49 11.631 -7.525 -11.634 1.00 0.00 O ATOM 689 CB GLU A 49 10.683 -4.847 -11.786 1.00 0.00 C ATOM 690 CG GLU A 49 12.000 -4.821 -11.030 1.00 0.00 C ATOM 691 CD GLU A 49 12.624 -3.440 -10.991 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.590 -2.744 -12.027 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.146 -3.055 -9.924 1.00 0.00 O ATOM 0 H GLU A 49 9.896 -5.190 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 49 8.828 -5.923 -11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.889 -4.896 -12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.152 -3.912 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.836 -5.170 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.697 -5.517 -11.497 1.00 0.00 H new ATOM 700 N GLY A 50 9.621 -8.247 -12.341 1.00 0.00 N ATOM 701 CA GLY A 50 10.136 -9.537 -12.762 1.00 0.00 C ATOM 702 C GLY A 50 9.308 -10.692 -12.234 1.00 0.00 C ATOM 703 O GLY A 50 9.849 -11.727 -11.843 1.00 0.00 O ATOM 0 H GLY A 50 8.621 -8.115 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.158 -9.578 -13.851 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.165 -9.644 -12.418 1.00 0.00 H new ATOM 707 N THR A 51 7.991 -10.516 -12.220 1.00 0.00 N ATOM 708 CA THR A 51 7.086 -11.550 -11.734 1.00 0.00 C ATOM 709 C THR A 51 5.725 -11.455 -12.414 1.00 0.00 C ATOM 710 O THR A 51 5.461 -10.517 -13.165 1.00 0.00 O ATOM 711 CB THR A 51 6.893 -11.456 -10.209 1.00 0.00 C ATOM 712 OG1 THR A 51 6.458 -10.140 -9.851 1.00 0.00 O ATOM 713 CG2 THR A 51 8.187 -11.784 -9.478 1.00 0.00 C ATOM 0 H THR A 51 7.527 -9.666 -12.540 1.00 0.00 H new ATOM 0 HA THR A 51 7.543 -12.509 -11.977 1.00 0.00 H new ATOM 0 HB THR A 51 6.135 -12.182 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.203 -9.511 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.026 -11.711 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.500 -12.797 -9.730 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.963 -11.079 -9.777 1.00 0.00 H new ATOM 721 N GLU A 52 4.865 -12.432 -12.145 1.00 0.00 N ATOM 722 CA GLU A 52 3.530 -12.456 -12.732 1.00 0.00 C ATOM 723 C GLU A 52 2.458 -12.455 -11.646 1.00 0.00 C ATOM 724 O GLU A 52 1.262 -12.470 -11.939 1.00 0.00 O ATOM 725 CB GLU A 52 3.365 -13.687 -13.626 1.00 0.00 C ATOM 726 CG GLU A 52 3.616 -15.001 -12.905 1.00 0.00 C ATOM 727 CD GLU A 52 5.091 -15.338 -12.803 1.00 0.00 C ATOM 728 OE1 GLU A 52 5.613 -15.998 -13.726 1.00 0.00 O ATOM 729 OE2 GLU A 52 5.723 -14.941 -11.802 1.00 0.00 O ATOM 0 H GLU A 52 5.068 -13.216 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 52 3.410 -11.557 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.355 -13.695 -14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.051 -13.608 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.189 -14.949 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.099 -15.804 -13.431 1.00 0.00 H new ATOM 736 N ASP A 53 2.895 -12.438 -10.392 1.00 0.00 N ATOM 737 CA ASP A 53 1.974 -12.434 -9.261 1.00 0.00 C ATOM 738 C ASP A 53 2.443 -11.465 -8.180 1.00 0.00 C ATOM 739 O ASP A 53 3.635 -11.382 -7.883 1.00 0.00 O ATOM 740 CB ASP A 53 1.842 -13.842 -8.679 1.00 0.00 C ATOM 741 CG ASP A 53 3.119 -14.315 -8.014 1.00 0.00 C ATOM 742 OD1 ASP A 53 4.207 -14.077 -8.580 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.032 -14.924 -6.927 1.00 0.00 O ATOM 0 H ASP A 53 3.881 -12.427 -10.133 1.00 0.00 H new ATOM 0 HA ASP A 53 0.999 -12.104 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.030 -13.857 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.571 -14.537 -9.474 1.00 0.00 H new ATOM 748 N TRP A 54 1.500 -10.734 -7.598 1.00 0.00 N ATOM 749 CA TRP A 54 1.818 -9.770 -6.551 1.00 0.00 C ATOM 750 C TRP A 54 2.232 -10.478 -5.266 1.00 0.00 C ATOM 751 O TRP A 54 1.580 -11.429 -4.834 1.00 0.00 O ATOM 752 CB TRP A 54 0.616 -8.862 -6.284 1.00 0.00 C ATOM 753 CG TRP A 54 0.260 -7.989 -7.449 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.408 -8.363 -8.579 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.556 -6.596 -7.598 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.546 -7.287 -9.422 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.037 -6.191 -8.843 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.207 -5.651 -6.800 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.150 -4.883 -9.306 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.320 -4.354 -7.261 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.793 -3.979 -8.505 1.00 0.00 C ATOM 0 H TRP A 54 0.509 -10.790 -7.833 1.00 0.00 H new ATOM 0 HA TRP A 54 2.655 -9.162 -6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.245 -9.478 -6.025 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.830 -8.233 -5.420 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.774 -9.359 -8.781 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.008 -7.302 -10.331 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.615 -5.930 -5.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.256 -4.592 -10.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.823 -3.616 -6.653 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.897 -2.957 -8.837 1.00 0.00 H new ATOM 772 N ILE A 55 3.317 -10.009 -4.660 1.00 0.00 N ATOM 773 CA ILE A 55 3.816 -10.598 -3.423 1.00 0.00 C ATOM 774 C ILE A 55 3.073 -10.044 -2.212 1.00 0.00 C ATOM 775 O ILE A 55 3.196 -8.864 -1.881 1.00 0.00 O ATOM 776 CB ILE A 55 5.324 -10.343 -3.247 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.094 -10.842 -4.471 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.831 -11.021 -1.983 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.260 -9.794 -5.549 1.00 0.00 C ATOM 0 H ILE A 55 3.868 -9.223 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 55 3.643 -11.672 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 55 5.488 -9.270 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.079 -11.186 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.575 -11.704 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.899 -10.832 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.300 -10.623 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.658 -12.095 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.815 -10.218 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.279 -9.467 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.806 -8.941 -5.146 1.00 0.00 H new ATOM 791 N VAL A 56 2.302 -10.903 -1.553 1.00 0.00 N ATOM 792 CA VAL A 56 1.541 -10.501 -0.376 1.00 0.00 C ATOM 793 C VAL A 56 2.455 -9.920 0.697 1.00 0.00 C ATOM 794 O VAL A 56 3.392 -10.576 1.151 1.00 0.00 O ATOM 795 CB VAL A 56 0.759 -11.687 0.219 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.002 -11.255 1.462 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.186 -12.275 -0.818 1.00 0.00 C ATOM 0 H VAL A 56 2.188 -11.882 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 56 0.835 -9.737 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 56 1.470 -12.460 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.548 -12.106 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.701 -10.885 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.705 -10.464 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.731 -13.112 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.893 -11.511 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.388 -12.624 -1.677 1.00 0.00 H new ATOM 807 N ALA A 57 2.176 -8.684 1.098 1.00 0.00 N ATOM 808 CA ALA A 57 2.971 -8.015 2.120 1.00 0.00 C ATOM 809 C ALA A 57 2.400 -8.265 3.512 1.00 0.00 C ATOM 810 O ALA A 57 3.072 -8.823 4.378 1.00 0.00 O ATOM 811 CB ALA A 57 3.044 -6.522 1.838 1.00 0.00 C ATOM 0 H ALA A 57 1.405 -8.126 0.731 1.00 0.00 H new ATOM 0 HA ALA A 57 3.979 -8.429 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.641 -6.035 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.505 -6.358 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.038 -6.102 1.838 1.00 0.00 H new ATOM 817 N ASN A 58 1.155 -7.848 3.719 1.00 0.00 N ATOM 818 CA ASN A 58 0.494 -8.027 5.007 1.00 0.00 C ATOM 819 C ASN A 58 0.145 -9.493 5.241 1.00 0.00 C ATOM 820 O ASN A 58 0.027 -10.273 4.296 1.00 0.00 O ATOM 821 CB ASN A 58 -0.773 -7.172 5.076 1.00 0.00 C ATOM 822 CG ASN A 58 -1.770 -7.528 3.991 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.394 -7.993 2.915 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.050 -7.310 4.269 1.00 0.00 N ATOM 0 H ASN A 58 0.584 -7.384 3.012 1.00 0.00 H new ATOM 0 HA ASN A 58 1.183 -7.708 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.241 -7.299 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.503 -6.120 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.767 -7.530 3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.317 -6.923 5.174 1.00 0.00 H new ATOM 831 N LYS A 59 -0.021 -9.862 6.507 1.00 0.00 N ATOM 832 CA LYS A 59 -0.358 -11.234 6.867 1.00 0.00 C ATOM 833 C LYS A 59 -1.869 -11.442 6.858 1.00 0.00 C ATOM 834 O LYS A 59 -2.376 -12.357 6.209 1.00 0.00 O ATOM 835 CB LYS A 59 0.206 -11.574 8.248 1.00 0.00 C ATOM 836 CG LYS A 59 -0.059 -13.007 8.677 1.00 0.00 C ATOM 837 CD LYS A 59 1.030 -13.522 9.604 1.00 0.00 C ATOM 838 CE LYS A 59 0.994 -15.038 9.717 1.00 0.00 C ATOM 839 NZ LYS A 59 1.804 -15.693 8.652 1.00 0.00 N ATOM 0 H LYS A 59 0.073 -9.229 7.301 1.00 0.00 H new ATOM 0 HA LYS A 59 0.088 -11.898 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.282 -11.397 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.227 -10.897 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.024 -13.064 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.121 -13.646 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.005 -13.207 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.907 -13.079 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.369 -15.338 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.038 -15.383 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.754 -16.726 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.430 -15.427 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.794 -15.384 8.729 1.00 0.00 H new ATOM 853 N ASP A 60 -2.584 -10.587 7.582 1.00 0.00 N ATOM 854 CA ASP A 60 -4.038 -10.676 7.655 1.00 0.00 C ATOM 855 C ASP A 60 -4.686 -9.377 7.190 1.00 0.00 C ATOM 856 O ASP A 60 -5.286 -9.319 6.116 1.00 0.00 O ATOM 857 CB ASP A 60 -4.479 -10.998 9.084 1.00 0.00 C ATOM 858 CG ASP A 60 -3.536 -10.424 10.124 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.430 -10.978 10.292 1.00 0.00 O ATOM 860 OD2 ASP A 60 -3.905 -9.421 10.770 1.00 0.00 O ATOM 0 H ASP A 60 -2.180 -9.825 8.126 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.362 -11.479 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.481 -10.603 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.538 -12.079 9.208 1.00 0.00 H new ATOM 865 N LEU A 61 -4.562 -8.335 8.004 1.00 0.00 N ATOM 866 CA LEU A 61 -5.136 -7.034 7.677 1.00 0.00 C ATOM 867 C LEU A 61 -4.338 -5.907 8.324 1.00 0.00 C ATOM 868 O LEU A 61 -3.765 -6.078 9.400 1.00 0.00 O ATOM 869 CB LEU A 61 -6.595 -6.969 8.135 1.00 0.00 C ATOM 870 CG LEU A 61 -7.635 -7.474 7.134 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.959 -7.746 7.832 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.822 -6.469 6.007 1.00 0.00 C ATOM 0 H LEU A 61 -4.069 -8.365 8.896 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.094 -6.908 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.693 -7.548 9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.831 -5.934 8.383 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.274 -8.409 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.687 -8.105 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.815 -8.502 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.325 -6.827 8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.565 -6.845 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.160 -5.519 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.874 -6.323 5.489 1.00 0.00 H new ATOM 884 N ILE A 62 -4.306 -4.756 7.662 1.00 0.00 N ATOM 885 CA ILE A 62 -3.581 -3.600 8.175 1.00 0.00 C ATOM 886 C ILE A 62 -4.495 -2.698 8.997 1.00 0.00 C ATOM 887 O ILE A 62 -5.342 -1.991 8.450 1.00 0.00 O ATOM 888 CB ILE A 62 -2.956 -2.776 7.033 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.004 -3.645 6.209 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.226 -1.565 7.593 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.746 -3.108 4.819 1.00 0.00 C ATOM 0 H ILE A 62 -4.774 -4.599 6.769 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.785 -3.984 8.813 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.754 -2.425 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.055 -3.732 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.419 -4.650 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.790 -0.993 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.929 -0.937 8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.435 -1.896 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.063 -3.774 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.687 -3.047 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.302 -2.115 4.889 1.00 0.00 H new ATOM 903 N ASP A 63 -4.316 -2.726 10.313 1.00 0.00 N ATOM 904 CA ASP A 63 -5.122 -1.908 11.212 1.00 0.00 C ATOM 905 C ASP A 63 -4.984 -0.428 10.870 1.00 0.00 C ATOM 906 O ASP A 63 -5.965 0.237 10.534 1.00 0.00 O ATOM 907 CB ASP A 63 -4.709 -2.150 12.664 1.00 0.00 C ATOM 908 CG ASP A 63 -5.268 -3.446 13.217 1.00 0.00 C ATOM 909 OD1 ASP A 63 -5.512 -4.374 12.420 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.463 -3.531 14.448 1.00 0.00 O ATOM 0 H ASP A 63 -3.620 -3.306 10.781 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.166 -2.195 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.621 -2.169 12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.051 -1.318 13.279 1.00 0.00 H new ATOM 915 N LYS A 64 -3.761 0.084 10.960 1.00 0.00 N ATOM 916 CA LYS A 64 -3.494 1.485 10.660 1.00 0.00 C ATOM 917 C LYS A 64 -3.499 1.731 9.155 1.00 0.00 C ATOM 918 O LYS A 64 -3.382 0.795 8.362 1.00 0.00 O ATOM 919 CB LYS A 64 -2.147 1.906 11.252 1.00 0.00 C ATOM 920 CG LYS A 64 -2.092 1.814 12.767 1.00 0.00 C ATOM 921 CD LYS A 64 -0.667 1.644 13.264 1.00 0.00 C ATOM 922 CE LYS A 64 -0.633 1.181 14.713 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.061 -0.239 14.851 1.00 0.00 N ATOM 0 H LYS A 64 -2.939 -0.451 11.239 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.286 2.084 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.362 1.278 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.932 2.931 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.525 2.714 13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.698 0.973 13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.146 0.920 12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.133 2.589 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.377 1.296 15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.284 1.817 15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.804 -0.589 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.091 -0.305 14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.587 -0.816 14.127 1.00 0.00 H new ATOM 937 N THR A 65 -3.633 2.995 8.766 1.00 0.00 N ATOM 938 CA THR A 65 -3.653 3.363 7.356 1.00 0.00 C ATOM 939 C THR A 65 -2.241 3.594 6.828 1.00 0.00 C ATOM 940 O THR A 65 -2.012 4.483 6.008 1.00 0.00 O ATOM 941 CB THR A 65 -4.492 4.633 7.119 1.00 0.00 C ATOM 942 OG1 THR A 65 -4.072 5.671 8.011 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.972 4.349 7.323 1.00 0.00 C ATOM 0 H THR A 65 -3.729 3.781 9.408 1.00 0.00 H new ATOM 0 HA THR A 65 -4.107 2.531 6.818 1.00 0.00 H new ATOM 0 HB THR A 65 -4.339 4.956 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.609 6.475 7.853 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.545 5.260 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.295 3.579 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.139 4.004 8.343 1.00 0.00 H new ATOM 951 N LYS A 66 -1.298 2.788 7.303 1.00 0.00 N ATOM 952 CA LYS A 66 0.092 2.903 6.878 1.00 0.00 C ATOM 953 C LYS A 66 0.790 1.547 6.927 1.00 0.00 C ATOM 954 O LYS A 66 0.521 0.731 7.809 1.00 0.00 O ATOM 955 CB LYS A 66 0.837 3.904 7.764 1.00 0.00 C ATOM 956 CG LYS A 66 2.146 4.390 7.166 1.00 0.00 C ATOM 957 CD LYS A 66 3.157 4.738 8.245 1.00 0.00 C ATOM 958 CE LYS A 66 2.814 6.052 8.928 1.00 0.00 C ATOM 959 NZ LYS A 66 3.810 6.410 9.976 1.00 0.00 N ATOM 0 H LYS A 66 -1.471 2.048 7.983 1.00 0.00 H new ATOM 0 HA LYS A 66 0.102 3.261 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.191 4.762 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.038 3.441 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.558 3.619 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.960 5.266 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.189 3.939 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.152 4.805 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.769 6.847 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.824 5.980 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.540 7.312 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.835 5.664 10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.751 6.504 9.543 1.00 0.00 H new ATOM 973 N PHE A 67 1.688 1.314 5.976 1.00 0.00 N ATOM 974 CA PHE A 67 2.424 0.058 5.911 1.00 0.00 C ATOM 975 C PHE A 67 3.871 0.296 5.489 1.00 0.00 C ATOM 976 O PHE A 67 4.177 1.270 4.800 1.00 0.00 O ATOM 977 CB PHE A 67 1.748 -0.905 4.933 1.00 0.00 C ATOM 978 CG PHE A 67 2.346 -2.283 4.938 1.00 0.00 C ATOM 979 CD1 PHE A 67 1.913 -3.237 5.845 1.00 0.00 C ATOM 980 CD2 PHE A 67 3.340 -2.624 4.035 1.00 0.00 C ATOM 981 CE1 PHE A 67 2.462 -4.505 5.851 1.00 0.00 C ATOM 982 CE2 PHE A 67 3.892 -3.891 4.036 1.00 0.00 C ATOM 983 CZ PHE A 67 3.452 -4.833 4.946 1.00 0.00 C ATOM 0 H PHE A 67 1.923 1.979 5.239 1.00 0.00 H new ATOM 0 HA PHE A 67 2.422 -0.386 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.689 -0.977 5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.814 -0.493 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.138 -2.987 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.688 -1.891 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.117 -5.240 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.666 -4.144 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.882 -5.824 4.949 1.00 0.00 H new ATOM 993 N THR A 68 4.759 -0.600 5.909 1.00 0.00 N ATOM 994 CA THR A 68 6.174 -0.487 5.577 1.00 0.00 C ATOM 995 C THR A 68 6.737 -1.824 5.110 1.00 0.00 C ATOM 996 O THR A 68 6.749 -2.800 5.861 1.00 0.00 O ATOM 997 CB THR A 68 6.996 0.011 6.781 1.00 0.00 C ATOM 998 OG1 THR A 68 6.471 1.258 7.251 1.00 0.00 O ATOM 999 CG2 THR A 68 8.460 0.181 6.405 1.00 0.00 C ATOM 0 H THR A 68 4.523 -1.412 6.480 1.00 0.00 H new ATOM 0 HA THR A 68 6.252 0.240 4.768 1.00 0.00 H new ATOM 0 HB THR A 68 6.925 -0.734 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.998 1.567 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.020 0.533 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.865 -0.776 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.546 0.908 5.597 1.00 0.00 H new ATOM 1007 N ILE A 69 7.204 -1.862 3.867 1.00 0.00 N ATOM 1008 CA ILE A 69 7.771 -3.080 3.301 1.00 0.00 C ATOM 1009 C ILE A 69 9.173 -3.337 3.842 1.00 0.00 C ATOM 1010 O ILE A 69 10.086 -2.535 3.640 1.00 0.00 O ATOM 1011 CB ILE A 69 7.831 -3.012 1.764 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.434 -2.774 1.187 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.432 -4.290 1.200 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.445 -2.098 -0.166 1.00 0.00 C ATOM 0 H ILE A 69 7.201 -1.063 3.232 1.00 0.00 H new ATOM 0 HA ILE A 69 7.115 -3.899 3.595 1.00 0.00 H new ATOM 0 HB ILE A 69 8.469 -2.176 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.917 -3.730 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.861 -2.163 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.467 -4.226 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.442 -4.420 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.818 -5.141 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.421 -1.962 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.933 -1.127 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.990 -2.718 -0.878 1.00 0.00 H new ATOM 1026 N THR A 70 9.339 -4.462 4.531 1.00 0.00 N ATOM 1027 CA THR A 70 10.630 -4.825 5.102 1.00 0.00 C ATOM 1028 C THR A 70 11.415 -5.726 4.155 1.00 0.00 C ATOM 1029 O THR A 70 10.856 -6.629 3.535 1.00 0.00 O ATOM 1030 CB THR A 70 10.464 -5.543 6.455 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.623 -6.692 6.300 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.866 -4.607 7.494 1.00 0.00 C ATOM 0 H THR A 70 8.595 -5.137 4.707 1.00 0.00 H new ATOM 0 HA THR A 70 11.180 -3.897 5.257 1.00 0.00 H new ATOM 0 HB THR A 70 11.450 -5.858 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.524 -7.144 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.758 -5.136 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.523 -3.748 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.888 -4.265 7.156 1.00 0.00 H new ATOM 1040 N GLY A 71 12.716 -5.473 4.048 1.00 0.00 N ATOM 1041 CA GLY A 71 13.557 -6.270 3.174 1.00 0.00 C ATOM 1042 C GLY A 71 13.395 -5.897 1.714 1.00 0.00 C ATOM 1043 O GLY A 71 12.752 -6.618 0.949 1.00 0.00 O ATOM 0 H GLY A 71 13.202 -4.731 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.600 -6.144 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.315 -7.325 3.305 1.00 0.00 H new ATOM 1047 N LEU A 72 13.976 -4.768 1.325 1.00 0.00 N ATOM 1048 CA LEU A 72 13.891 -4.299 -0.053 1.00 0.00 C ATOM 1049 C LEU A 72 15.266 -3.895 -0.577 1.00 0.00 C ATOM 1050 O LEU A 72 16.018 -3.173 0.078 1.00 0.00 O ATOM 1051 CB LEU A 72 12.927 -3.115 -0.152 1.00 0.00 C ATOM 1052 CG LEU A 72 11.440 -3.466 -0.231 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.593 -2.203 -0.213 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.151 -4.286 -1.480 1.00 0.00 C ATOM 0 H LEU A 72 14.511 -4.160 1.945 1.00 0.00 H new ATOM 0 HA LEU A 72 13.515 -5.118 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.083 -2.472 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.190 -2.531 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 72 11.181 -4.066 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.538 -2.472 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.778 -1.654 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.855 -1.577 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.089 -4.527 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.426 -3.711 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.731 -5.208 -1.452 1.00 0.00 H new ATOM 1066 N PRO A 73 15.602 -4.368 -1.786 1.00 0.00 N ATOM 1067 CA PRO A 73 16.886 -4.067 -2.425 1.00 0.00 C ATOM 1068 C PRO A 73 16.989 -2.608 -2.859 1.00 0.00 C ATOM 1069 O PRO A 73 15.993 -1.989 -3.234 1.00 0.00 O ATOM 1070 CB PRO A 73 16.900 -4.990 -3.646 1.00 0.00 C ATOM 1071 CG PRO A 73 15.463 -5.240 -3.948 1.00 0.00 C ATOM 1072 CD PRO A 73 14.753 -5.234 -2.622 1.00 0.00 C ATOM 0 HA PRO A 73 17.725 -4.222 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.406 -4.522 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.428 -5.920 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.063 -4.470 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.332 -6.195 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.740 -4.840 -2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.670 -6.238 -2.206 1.00 0.00 H new ATOM 1080 N THR A 74 18.201 -2.064 -2.806 1.00 0.00 N ATOM 1081 CA THR A 74 18.434 -0.679 -3.193 1.00 0.00 C ATOM 1082 C THR A 74 18.276 -0.494 -4.698 1.00 0.00 C ATOM 1083 O THR A 74 18.347 -1.457 -5.462 1.00 0.00 O ATOM 1084 CB THR A 74 19.840 -0.207 -2.774 1.00 0.00 C ATOM 1085 OG1 THR A 74 20.061 -0.498 -1.390 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.005 1.285 -3.017 1.00 0.00 C ATOM 0 H THR A 74 19.036 -2.562 -2.499 1.00 0.00 H new ATOM 0 HA THR A 74 17.687 -0.077 -2.675 1.00 0.00 H new ATOM 0 HB THR A 74 20.574 -0.740 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.957 -0.197 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.005 1.595 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.865 1.499 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.264 1.833 -2.435 1.00 0.00 H new ATOM 1094 N ASP A 75 18.063 0.748 -5.117 1.00 0.00 N ATOM 1095 CA ASP A 75 17.896 1.059 -6.532 1.00 0.00 C ATOM 1096 C ASP A 75 16.924 0.087 -7.192 1.00 0.00 C ATOM 1097 O ASP A 75 17.206 -0.463 -8.256 1.00 0.00 O ATOM 1098 CB ASP A 75 19.247 1.014 -7.249 1.00 0.00 C ATOM 1099 CG ASP A 75 20.135 -0.105 -6.739 1.00 0.00 C ATOM 1100 OD1 ASP A 75 20.706 0.045 -5.639 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.258 -1.130 -7.441 1.00 0.00 O ATOM 0 H ASP A 75 18.002 1.556 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 75 17.484 2.065 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.083 0.885 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.757 1.968 -7.117 1.00 0.00 H new ATOM 1106 N ALA A 76 15.778 -0.121 -6.552 1.00 0.00 N ATOM 1107 CA ALA A 76 14.763 -1.027 -7.077 1.00 0.00 C ATOM 1108 C ALA A 76 13.413 -0.327 -7.198 1.00 0.00 C ATOM 1109 O ALA A 76 13.097 0.574 -6.421 1.00 0.00 O ATOM 1110 CB ALA A 76 14.644 -2.257 -6.190 1.00 0.00 C ATOM 0 H ALA A 76 15.529 0.325 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 76 15.071 -1.340 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.883 -2.925 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.602 -2.776 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.362 -1.953 -5.182 1.00 0.00 H new ATOM 1116 N LYS A 77 12.621 -0.747 -8.179 1.00 0.00 N ATOM 1117 CA LYS A 77 11.304 -0.162 -8.403 1.00 0.00 C ATOM 1118 C LYS A 77 10.203 -1.185 -8.143 1.00 0.00 C ATOM 1119 O LYS A 77 10.210 -2.276 -8.712 1.00 0.00 O ATOM 1120 CB LYS A 77 11.196 0.368 -9.834 1.00 0.00 C ATOM 1121 CG LYS A 77 12.020 1.618 -10.084 1.00 0.00 C ATOM 1122 CD LYS A 77 12.271 1.833 -11.568 1.00 0.00 C ATOM 1123 CE LYS A 77 12.742 3.251 -11.853 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.600 4.194 -12.011 1.00 0.00 N ATOM 0 H LYS A 77 12.868 -1.491 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 77 11.178 0.666 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.515 -0.411 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.150 0.582 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.502 2.484 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.973 1.538 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.020 1.122 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.356 1.633 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.384 3.591 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.346 3.257 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.963 5.149 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.001 3.884 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.037 4.208 -11.136 1.00 0.00 H new ATOM 1138 N ILE A 78 9.258 -0.824 -7.281 1.00 0.00 N ATOM 1139 CA ILE A 78 8.149 -1.710 -6.949 1.00 0.00 C ATOM 1140 C ILE A 78 6.818 -0.969 -7.004 1.00 0.00 C ATOM 1141 O ILE A 78 6.761 0.244 -6.801 1.00 0.00 O ATOM 1142 CB ILE A 78 8.322 -2.328 -5.549 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.348 -1.230 -4.483 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.595 -3.160 -5.491 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.814 -1.679 -3.141 1.00 0.00 C ATOM 0 H ILE A 78 9.238 0.075 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 78 8.149 -2.508 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 78 7.474 -2.983 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.373 -0.880 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.761 -0.381 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.703 -3.590 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.540 -3.961 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.454 -2.526 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.862 -0.850 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.779 -2.002 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.415 -2.509 -2.769 1.00 0.00 H new ATOM 1157 N PHE A 79 5.747 -1.707 -7.278 1.00 0.00 N ATOM 1158 CA PHE A 79 4.415 -1.120 -7.359 1.00 0.00 C ATOM 1159 C PHE A 79 3.621 -1.393 -6.085 1.00 0.00 C ATOM 1160 O PHE A 79 3.763 -2.448 -5.467 1.00 0.00 O ATOM 1161 CB PHE A 79 3.663 -1.675 -8.571 1.00 0.00 C ATOM 1162 CG PHE A 79 4.334 -1.378 -9.881 1.00 0.00 C ATOM 1163 CD1 PHE A 79 5.283 -2.244 -10.400 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.017 -0.233 -10.594 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.903 -1.972 -11.605 1.00 0.00 C ATOM 1166 CE2 PHE A 79 4.633 0.044 -11.799 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.577 -0.828 -12.306 1.00 0.00 C ATOM 0 H PHE A 79 5.776 -2.712 -7.448 1.00 0.00 H new ATOM 0 HA PHE A 79 4.527 -0.042 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.560 -2.755 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.656 -1.259 -8.585 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.541 -3.141 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.279 0.452 -10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.642 -2.654 -11.998 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.377 0.941 -12.344 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.059 -0.615 -13.249 1.00 0.00 H new ATOM 1177 N VAL A 80 2.786 -0.435 -5.697 1.00 0.00 N ATOM 1178 CA VAL A 80 1.969 -0.571 -4.497 1.00 0.00 C ATOM 1179 C VAL A 80 0.484 -0.576 -4.841 1.00 0.00 C ATOM 1180 O VAL A 80 0.029 0.198 -5.683 1.00 0.00 O ATOM 1181 CB VAL A 80 2.249 0.564 -3.496 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.391 0.402 -2.250 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.726 0.603 -3.134 1.00 0.00 C ATOM 0 H VAL A 80 2.657 0.445 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 80 2.236 -1.523 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 80 1.988 1.512 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.603 1.214 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.337 0.428 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.617 -0.552 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.906 1.412 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.015 -0.346 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.317 0.772 -4.034 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.267 -1.453 -4.184 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.702 -1.559 -4.420 1.00 0.00 C ATOM 1195 C ARG A 81 -2.460 -1.714 -3.105 1.00 0.00 C ATOM 1196 O ARG A 81 -2.118 -2.556 -2.274 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.003 -2.747 -5.337 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.379 -2.623 -6.717 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.319 -1.931 -7.693 1.00 0.00 C ATOM 1200 NE ARG A 81 -3.613 -2.603 -7.776 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.800 -3.765 -8.391 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -2.782 -4.382 -8.974 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -5.008 -4.313 -8.423 1.00 0.00 N ATOM 0 H ARG A 81 0.094 -2.101 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.034 -0.641 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.642 -3.661 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.083 -2.849 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.447 -2.062 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.126 -3.614 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.467 -0.897 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.860 -1.905 -8.681 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.418 -2.155 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.852 -3.964 -8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.929 -5.274 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.794 -3.842 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.151 -5.206 -8.896 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.490 -0.895 -2.921 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.297 -0.940 -1.708 1.00 0.00 C ATOM 1219 C VAL A 82 -5.777 -1.101 -2.037 1.00 0.00 C ATOM 1220 O VAL A 82 -6.305 -0.425 -2.920 1.00 0.00 O ATOM 1221 CB VAL A 82 -4.107 0.331 -0.859 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.728 0.343 -0.218 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.320 1.575 -1.709 1.00 0.00 C ATOM 0 H VAL A 82 -3.786 -0.191 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.959 -1.804 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.851 0.331 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.612 1.248 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.618 -0.531 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.965 0.320 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.182 2.464 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.600 1.584 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.331 1.569 -2.116 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.442 -2.002 -1.322 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.862 -2.253 -1.536 1.00 0.00 C ATOM 1235 C LYS A 83 -8.608 -2.324 -0.207 1.00 0.00 C ATOM 1236 O LYS A 83 -8.068 -2.794 0.794 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.060 -3.555 -2.315 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.505 -4.778 -1.606 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.567 -5.465 -0.763 1.00 0.00 C ATOM 1240 CE LYS A 83 -9.267 -6.569 -1.541 1.00 0.00 C ATOM 1241 NZ LYS A 83 -10.489 -6.071 -2.231 1.00 0.00 N ATOM 0 H LYS A 83 -6.020 -2.571 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.268 -1.425 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.125 -3.702 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.581 -3.462 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.114 -5.480 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.670 -4.483 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.108 -5.884 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.301 -4.731 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.580 -6.987 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.537 -7.377 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.938 -6.853 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.156 -5.695 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.228 -5.317 -2.898 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.852 -1.857 -0.206 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.673 -1.872 0.998 1.00 0.00 C ATOM 1257 C ALA A 84 -11.306 -3.242 1.215 1.00 0.00 C ATOM 1258 O ALA A 84 -11.731 -3.898 0.263 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.748 -0.798 0.918 1.00 0.00 C ATOM 0 H ALA A 84 -10.313 -1.463 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.027 -1.661 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.353 -0.821 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.278 0.181 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.384 -0.983 0.052 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.365 -3.670 2.472 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.947 -4.963 2.813 1.00 0.00 C ATOM 1267 C VAL A 85 -12.754 -4.879 4.104 1.00 0.00 C ATOM 1268 O VAL A 85 -12.252 -4.429 5.133 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.861 -6.043 2.969 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.471 -7.347 3.462 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -10.125 -6.252 1.654 1.00 0.00 C ATOM 0 H VAL A 85 -11.017 -3.140 3.271 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.608 -5.239 1.992 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.140 -5.704 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.688 -8.098 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.948 -7.183 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.215 -7.695 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.361 -7.019 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.832 -6.569 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.654 -5.318 1.348 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.008 -5.314 4.040 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.886 -5.289 5.205 1.00 0.00 C ATOM 1283 C ASN A 86 -15.607 -6.623 5.372 1.00 0.00 C ATOM 1284 O ASN A 86 -15.574 -7.473 4.484 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.907 -4.157 5.074 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.275 -2.857 4.616 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -14.674 -2.878 3.431 1.00 0.00 O flip ATOM 1288 ND2 ASN A 86 -15.326 -1.847 5.317 1.00 0.00 N flip ATOM 0 H ASN A 86 -14.439 -5.688 3.195 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.272 -5.116 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.681 -4.450 4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.397 -4.001 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.798 -1.877 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.896 -0.980 4.994 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.258 -6.797 6.517 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.990 -8.026 6.800 1.00 0.00 C ATOM 1297 C ALA A 87 -17.914 -8.394 5.644 1.00 0.00 C ATOM 1298 O ALA A 87 -18.119 -9.571 5.352 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.786 -7.882 8.089 1.00 0.00 C ATOM 0 H ALA A 87 -16.294 -6.103 7.264 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.265 -8.831 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.327 -8.807 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.106 -7.675 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.496 -7.061 7.989 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.469 -7.378 4.991 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.370 -7.596 3.866 1.00 0.00 C ATOM 1307 C ALA A 88 -18.672 -8.352 2.741 1.00 0.00 C ATOM 1308 O ALA A 88 -19.166 -9.373 2.266 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.908 -6.267 3.357 1.00 0.00 C ATOM 0 H ALA A 88 -18.311 -6.397 5.221 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.205 -8.205 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.580 -6.444 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.452 -5.764 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.078 -5.639 3.032 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.518 -7.842 2.319 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.771 -8.483 1.252 1.00 0.00 C ATOM 1317 C GLY A 89 -15.453 -7.790 0.971 1.00 0.00 C ATOM 1318 O GLY A 89 -14.534 -7.834 1.789 1.00 0.00 O ATOM 0 H GLY A 89 -17.088 -6.998 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.582 -9.523 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.374 -8.492 0.344 1.00 0.00 H new ATOM 1322 N ALA A 90 -15.358 -7.150 -0.190 1.00 0.00 N ATOM 1323 CA ALA A 90 -14.142 -6.444 -0.576 1.00 0.00 C ATOM 1324 C ALA A 90 -14.454 -5.288 -1.520 1.00 0.00 C ATOM 1325 O ALA A 90 -15.573 -5.166 -2.019 1.00 0.00 O ATOM 1326 CB ALA A 90 -13.157 -7.406 -1.225 1.00 0.00 C ATOM 0 H ALA A 90 -16.108 -7.106 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.690 -6.031 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.254 -6.866 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.901 -8.196 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.610 -7.846 -2.113 1.00 0.00 H new ATOM 1332 N SER A 91 -13.459 -4.441 -1.760 1.00 0.00 N ATOM 1333 CA SER A 91 -13.629 -3.291 -2.641 1.00 0.00 C ATOM 1334 C SER A 91 -12.592 -3.306 -3.760 1.00 0.00 C ATOM 1335 O SER A 91 -11.630 -4.071 -3.718 1.00 0.00 O ATOM 1336 CB SER A 91 -13.517 -1.990 -1.843 1.00 0.00 C ATOM 1337 OG SER A 91 -14.273 -0.955 -2.448 1.00 0.00 O ATOM 0 H SER A 91 -12.526 -4.529 -1.357 1.00 0.00 H new ATOM 0 HA SER A 91 -14.621 -3.350 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.868 -2.153 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.471 -1.690 -1.776 1.00 0.00 H new ATOM 0 HG SER A 91 -14.869 -0.553 -1.782 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.798 -2.454 -4.759 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.881 -2.369 -5.891 1.00 0.00 C ATOM 1345 C GLU A 92 -10.536 -1.793 -5.459 1.00 0.00 C ATOM 1346 O GLU A 92 -10.458 -0.884 -4.632 1.00 0.00 O ATOM 1347 CB GLU A 92 -12.485 -1.507 -7.001 1.00 0.00 C ATOM 1348 CG GLU A 92 -12.139 -0.032 -6.883 1.00 0.00 C ATOM 1349 CD GLU A 92 -12.632 0.779 -8.066 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -13.863 0.929 -8.212 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.785 1.264 -8.846 1.00 0.00 O ATOM 0 H GLU A 92 -13.590 -1.813 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.719 -3.377 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.138 -1.877 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.569 -1.619 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.574 0.367 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.058 0.078 -6.797 1.00 0.00 H new ATOM 1358 N PRO A 93 -9.450 -2.333 -6.032 1.00 0.00 N ATOM 1359 CA PRO A 93 -8.088 -1.888 -5.723 1.00 0.00 C ATOM 1360 C PRO A 93 -7.798 -0.492 -6.261 1.00 0.00 C ATOM 1361 O PRO A 93 -8.467 -0.017 -7.179 1.00 0.00 O ATOM 1362 CB PRO A 93 -7.208 -2.926 -6.425 1.00 0.00 C ATOM 1363 CG PRO A 93 -8.054 -3.450 -7.534 1.00 0.00 C ATOM 1364 CD PRO A 93 -9.469 -3.419 -7.027 1.00 0.00 C ATOM 0 HA PRO A 93 -7.915 -1.819 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.291 -2.476 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.913 -3.722 -5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.947 -2.837 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.759 -4.464 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.179 -3.217 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.756 -4.370 -6.579 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.795 0.163 -5.684 1.00 0.00 N ATOM 1373 CA LYS A 94 -6.414 1.506 -6.107 1.00 0.00 C ATOM 1374 C LYS A 94 -4.952 1.546 -6.538 1.00 0.00 C ATOM 1375 O LYS A 94 -4.047 1.440 -5.710 1.00 0.00 O ATOM 1376 CB LYS A 94 -6.650 2.506 -4.972 1.00 0.00 C ATOM 1377 CG LYS A 94 -6.984 3.906 -5.456 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.842 4.506 -6.259 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.823 6.023 -6.153 1.00 0.00 C ATOM 1380 NZ LYS A 94 -5.015 6.488 -4.992 1.00 0.00 N ATOM 0 H LYS A 94 -6.232 -0.215 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.034 1.781 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.464 2.144 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.759 2.550 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.884 3.875 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.203 4.545 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.894 4.103 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.939 4.214 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.416 6.446 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.844 6.393 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.082 7.523 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.377 6.051 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.021 6.215 -5.129 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.728 1.700 -7.838 1.00 0.00 N ATOM 1395 CA TYR A 95 -3.375 1.753 -8.380 1.00 0.00 C ATOM 1396 C TYR A 95 -2.733 3.110 -8.109 1.00 0.00 C ATOM 1397 O TYR A 95 -3.365 4.153 -8.275 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.394 1.476 -9.884 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.720 0.042 -10.232 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -5.018 -0.443 -10.122 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.731 -0.830 -10.671 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -5.320 -1.753 -10.438 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -3.024 -2.141 -10.990 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.320 -2.598 -10.872 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.618 -3.904 -11.189 1.00 0.00 O ATOM 0 H TYR A 95 -5.466 1.790 -8.536 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.782 0.985 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.126 2.131 -10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.421 1.731 -10.304 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.804 0.216 -9.784 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.715 -0.476 -10.764 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.334 -2.114 -10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.243 -2.805 -11.330 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.803 -4.365 -11.479 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.472 3.087 -7.691 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.743 4.315 -7.395 1.00 0.00 C ATOM 1417 C TYR A 96 -0.342 5.034 -8.679 1.00 0.00 C ATOM 1418 O TYR A 96 -0.346 4.445 -9.760 1.00 0.00 O ATOM 1419 CB TYR A 96 0.502 4.005 -6.561 1.00 0.00 C ATOM 1420 CG TYR A 96 1.199 5.238 -6.033 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.073 5.963 -6.834 1.00 0.00 C ATOM 1422 CD2 TYR A 96 0.984 5.679 -4.733 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.713 7.090 -6.355 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.618 6.805 -4.246 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.482 7.507 -5.061 1.00 0.00 C ATOM 1426 OH TYR A 96 3.116 8.630 -4.580 1.00 0.00 O ATOM 0 H TYR A 96 -0.934 2.232 -7.550 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.402 4.970 -6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.218 3.371 -5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.203 3.434 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.255 5.640 -7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.309 5.131 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.390 7.641 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.439 7.134 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 96 4.051 8.629 -4.873 1.00 0.00 H new ATOM 1436 N SER A 97 0.004 6.311 -8.551 1.00 0.00 N ATOM 1437 CA SER A 97 0.405 7.113 -9.701 1.00 0.00 C ATOM 1438 C SER A 97 1.663 6.542 -10.350 1.00 0.00 C ATOM 1439 O SER A 97 1.598 5.918 -11.409 1.00 0.00 O ATOM 1440 CB SER A 97 0.649 8.563 -9.278 1.00 0.00 C ATOM 1441 OG SER A 97 -0.565 9.291 -9.230 1.00 0.00 O ATOM 0 H SER A 97 0.015 6.812 -7.663 1.00 0.00 H new ATOM 0 HA SER A 97 -0.404 7.086 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.128 8.584 -8.299 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.335 9.039 -9.979 1.00 0.00 H new ATOM 0 HG SER A 97 -0.382 10.214 -8.956 1.00 0.00 H new ATOM 1447 N GLN A 98 2.805 6.761 -9.706 1.00 0.00 N ATOM 1448 CA GLN A 98 4.077 6.269 -10.221 1.00 0.00 C ATOM 1449 C GLN A 98 4.729 5.307 -9.233 1.00 0.00 C ATOM 1450 O GLN A 98 4.416 5.296 -8.042 1.00 0.00 O ATOM 1451 CB GLN A 98 5.021 7.438 -10.510 1.00 0.00 C ATOM 1452 CG GLN A 98 4.842 8.036 -11.896 1.00 0.00 C ATOM 1453 CD GLN A 98 5.668 7.325 -12.949 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.886 7.489 -13.015 1.00 0.00 O ATOM 1455 NE2 GLN A 98 5.007 6.528 -13.781 1.00 0.00 N ATOM 0 H GLN A 98 2.875 7.275 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 98 3.881 5.731 -11.149 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.861 8.216 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.051 7.098 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.789 7.991 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.120 9.090 -11.872 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.997 6.421 -13.690 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.510 6.023 -14.511 1.00 0.00 H new ATOM 1464 N PRO A 99 5.656 4.479 -9.736 1.00 0.00 N ATOM 1465 CA PRO A 99 6.371 3.498 -8.914 1.00 0.00 C ATOM 1466 C PRO A 99 7.344 4.155 -7.942 1.00 0.00 C ATOM 1467 O PRO A 99 8.060 5.090 -8.303 1.00 0.00 O ATOM 1468 CB PRO A 99 7.129 2.658 -9.945 1.00 0.00 C ATOM 1469 CG PRO A 99 7.300 3.560 -11.118 1.00 0.00 C ATOM 1470 CD PRO A 99 6.079 4.437 -11.146 1.00 0.00 C ATOM 0 HA PRO A 99 5.693 2.919 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.092 2.328 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.570 1.762 -10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.207 4.157 -11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.391 2.987 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.308 5.432 -11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.301 4.022 -11.787 1.00 0.00 H new ATOM 1478 N ILE A 100 7.366 3.660 -6.709 1.00 0.00 N ATOM 1479 CA ILE A 100 8.254 4.199 -5.686 1.00 0.00 C ATOM 1480 C ILE A 100 9.666 3.644 -5.836 1.00 0.00 C ATOM 1481 O ILE A 100 9.856 2.442 -6.023 1.00 0.00 O ATOM 1482 CB ILE A 100 7.737 3.883 -4.270 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.267 4.285 -4.138 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.583 4.598 -3.226 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.303 3.191 -4.541 1.00 0.00 C ATOM 0 H ILE A 100 6.779 2.887 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 100 8.275 5.280 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 100 7.817 2.809 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.068 4.571 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.083 5.165 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.206 4.365 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.618 4.267 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.532 5.674 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.279 3.546 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.474 2.921 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.460 2.317 -3.909 1.00 0.00 H new ATOM 1497 N LEU A 101 10.655 4.527 -5.750 1.00 0.00 N ATOM 1498 CA LEU A 101 12.052 4.126 -5.873 1.00 0.00 C ATOM 1499 C LEU A 101 12.712 4.022 -4.502 1.00 0.00 C ATOM 1500 O LEU A 101 13.048 5.033 -3.885 1.00 0.00 O ATOM 1501 CB LEU A 101 12.815 5.125 -6.745 1.00 0.00 C ATOM 1502 CG LEU A 101 14.125 4.622 -7.353 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.751 3.558 -6.466 1.00 0.00 C ATOM 1504 CD2 LEU A 101 13.888 4.080 -8.755 1.00 0.00 C ATOM 0 H LEU A 101 10.515 5.525 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 101 12.082 3.144 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.160 5.443 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 101 13.032 6.009 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 101 14.818 5.461 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.682 3.212 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.957 3.980 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.063 2.718 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.831 3.726 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.178 3.254 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.485 4.871 -9.388 1.00 0.00 H new ATOM 1516 N VAL A 102 12.897 2.793 -4.032 1.00 0.00 N ATOM 1517 CA VAL A 102 13.520 2.556 -2.735 1.00 0.00 C ATOM 1518 C VAL A 102 14.906 3.189 -2.668 1.00 0.00 C ATOM 1519 O VAL A 102 15.918 2.516 -2.866 1.00 0.00 O ATOM 1520 CB VAL A 102 13.641 1.050 -2.437 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.319 0.329 -3.592 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.399 0.823 -1.137 1.00 0.00 C ATOM 0 H VAL A 102 12.624 1.946 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 102 12.876 3.016 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 102 12.638 0.639 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.395 -0.734 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.731 0.463 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.317 0.740 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.475 -0.247 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.399 1.249 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.867 1.304 -0.317 1.00 0.00 H new ATOM 1532 N LYS A 103 14.944 4.486 -2.385 1.00 0.00 N ATOM 1533 CA LYS A 103 16.205 5.212 -2.289 1.00 0.00 C ATOM 1534 C LYS A 103 16.142 6.271 -1.194 1.00 0.00 C ATOM 1535 O LYS A 103 15.165 7.013 -1.092 1.00 0.00 O ATOM 1536 CB LYS A 103 16.543 5.869 -3.630 1.00 0.00 C ATOM 1537 CG LYS A 103 17.992 6.311 -3.743 1.00 0.00 C ATOM 1538 CD LYS A 103 18.867 5.209 -4.317 1.00 0.00 C ATOM 1539 CE LYS A 103 20.241 5.735 -4.704 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.195 6.535 -5.959 1.00 0.00 N ATOM 0 H LYS A 103 14.115 5.057 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 103 16.988 4.497 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.322 5.168 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.896 6.734 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.055 7.195 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.364 6.597 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.975 4.410 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.382 4.776 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.635 6.350 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.928 4.898 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.164 6.746 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.703 5.993 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.686 7.425 -5.785 1.00 0.00 H new ATOM 1554 N GLU A 104 17.189 6.337 -0.378 1.00 0.00 N ATOM 1555 CA GLU A 104 17.251 7.306 0.709 1.00 0.00 C ATOM 1556 C GLU A 104 17.850 8.625 0.229 1.00 0.00 C ATOM 1557 O GLU A 104 18.581 8.663 -0.761 1.00 0.00 O ATOM 1558 CB GLU A 104 18.077 6.751 1.871 1.00 0.00 C ATOM 1559 CG GLU A 104 18.297 7.751 2.994 1.00 0.00 C ATOM 1560 CD GLU A 104 17.019 8.082 3.740 1.00 0.00 C ATOM 1561 OE1 GLU A 104 16.008 8.395 3.076 1.00 0.00 O ATOM 1562 OE2 GLU A 104 17.029 8.027 4.987 1.00 0.00 O ATOM 0 H GLU A 104 18.006 5.731 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 104 16.234 7.493 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.577 5.870 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.045 6.423 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.029 7.349 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.720 8.667 2.582 1.00 0.00 H new ATOM 1569 N SER A 105 17.534 9.705 0.937 1.00 0.00 N ATOM 1570 CA SER A 105 18.038 11.026 0.581 1.00 0.00 C ATOM 1571 C SER A 105 17.630 11.398 -0.841 1.00 0.00 C ATOM 1572 O SER A 105 18.457 11.827 -1.644 1.00 0.00 O ATOM 1573 CB SER A 105 19.561 11.068 0.714 1.00 0.00 C ATOM 1574 OG SER A 105 19.953 11.121 2.075 1.00 0.00 O ATOM 0 H SER A 105 16.932 9.691 1.760 1.00 0.00 H new ATOM 0 HA SER A 105 17.601 11.751 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 105 19.995 10.187 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.951 11.938 0.186 1.00 0.00 H new ATOM 0 HG SER A 105 20.931 11.145 2.133 1.00 0.00 H new ATOM 1580 N GLY A 106 16.346 11.229 -1.146 1.00 0.00 N ATOM 1581 CA GLY A 106 15.850 11.551 -2.471 1.00 0.00 C ATOM 1582 C GLY A 106 14.924 12.752 -2.467 1.00 0.00 C ATOM 1583 O GLY A 106 14.794 13.460 -1.468 1.00 0.00 O ATOM 0 H GLY A 106 15.641 10.875 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.693 11.748 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.321 10.689 -2.877 1.00 0.00 H new ATOM 1587 N PRO A 107 14.261 12.996 -3.607 1.00 0.00 N ATOM 1588 CA PRO A 107 13.332 14.120 -3.758 1.00 0.00 C ATOM 1589 C PRO A 107 12.057 13.931 -2.942 1.00 0.00 C ATOM 1590 O PRO A 107 11.662 12.805 -2.643 1.00 0.00 O ATOM 1591 CB PRO A 107 13.014 14.119 -5.255 1.00 0.00 C ATOM 1592 CG PRO A 107 13.243 12.713 -5.690 1.00 0.00 C ATOM 1593 CD PRO A 107 14.367 12.194 -4.837 1.00 0.00 C ATOM 0 HA PRO A 107 13.762 15.056 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.986 14.429 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.658 14.811 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.343 12.112 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.503 12.669 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.258 11.129 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.334 12.328 -5.322 1.00 0.00 H new ATOM 1601 N SER A 108 11.419 15.041 -2.586 1.00 0.00 N ATOM 1602 CA SER A 108 10.190 14.998 -1.802 1.00 0.00 C ATOM 1603 C SER A 108 9.084 14.273 -2.564 1.00 0.00 C ATOM 1604 O SER A 108 8.428 13.380 -2.028 1.00 0.00 O ATOM 1605 CB SER A 108 9.736 16.415 -1.447 1.00 0.00 C ATOM 1606 OG SER A 108 10.449 16.914 -0.328 1.00 0.00 O ATOM 0 H SER A 108 11.732 15.981 -2.828 1.00 0.00 H new ATOM 0 HA SER A 108 10.394 14.449 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.888 17.074 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.668 16.414 -1.231 1.00 0.00 H new ATOM 0 HG SER A 108 10.142 17.822 -0.122 1.00 0.00 H new ATOM 1612 N SER A 109 8.884 14.666 -3.818 1.00 0.00 N ATOM 1613 CA SER A 109 7.856 14.058 -4.654 1.00 0.00 C ATOM 1614 C SER A 109 8.380 12.793 -5.327 1.00 0.00 C ATOM 1615 O SER A 109 9.465 12.789 -5.908 1.00 0.00 O ATOM 1616 CB SER A 109 7.377 15.051 -5.714 1.00 0.00 C ATOM 1617 OG SER A 109 6.768 16.182 -5.115 1.00 0.00 O ATOM 0 H SER A 109 9.420 15.402 -4.277 1.00 0.00 H new ATOM 0 HA SER A 109 7.016 13.787 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.221 15.370 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.667 14.562 -6.381 1.00 0.00 H new ATOM 0 HG SER A 109 6.472 16.802 -5.813 1.00 0.00 H new ATOM 1623 N GLY A 110 7.601 11.719 -5.243 1.00 0.00 N ATOM 1624 CA GLY A 110 8.003 10.462 -5.847 1.00 0.00 C ATOM 1625 C GLY A 110 6.821 9.570 -6.171 1.00 0.00 C ATOM 1626 O GLY A 110 5.743 10.056 -6.511 1.00 0.00 O ATOM 0 H GLY A 110 6.699 11.697 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 110 8.563 10.664 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.676 9.936 -5.170 1.00 0.00 H new TER 1630 GLY A 110