USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 747 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 27 TYR OH : rot 143:sc= 1.19 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 177:sc= 0.107 (180deg=-0.053) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.159 X(o=1,f=0.7) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.899) USER MOD Set 3.1: A 8 SER OG : rot 110:sc= 0.382 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0.242 USER MOD Set 3.3: A 11 THR OG1 : rot 88:sc= -1.35! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -58:sc= 0.094 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -128:sc= 0.107 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 176:sc= -0.982 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 23 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.07) USER MOD Single : A 24 ASN : amide:sc= -0.0353 K(o=-0.035,f=-0.91) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -140:sc= 0.942 (180deg=-0.863) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.0233 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.596) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -147:sc= -0.193 (180deg=-2.25!) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc=-0.00945 (180deg=-0.146) USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= -0.02 (180deg=-0.315) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.0691 (180deg=-0.373) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.6) USER MOD Single : A 66 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD Single : A 67 CYS SG : rot 83:sc= 0.402 USER MOD Single : A 68 THR OG1 : rot -27:sc= -1.37 USER MOD Single : A 72 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.5!) USER MOD Single : A 73 ASN : amide:sc= -0.089 K(o=-0.089,f=-1.8!) USER MOD Single : A 74 LYS NZ :NH3+ 130:sc= -0.441 (180deg=-2.05!) USER MOD Single : A 75 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -10.049 -8.013 24.288 1.00 0.00 N ATOM 2 CA GLY A -6 -10.417 -6.759 23.657 1.00 0.00 C ATOM 3 C GLY A -6 -10.699 -6.916 22.176 1.00 0.00 C ATOM 4 O GLY A -6 -10.665 -8.025 21.645 1.00 0.00 O ATOM 0 H1 GLY A -6 -10.646 -8.169 25.125 1.00 0.00 H new ATOM 0 H2 GLY A -6 -10.186 -8.794 23.615 1.00 0.00 H new ATOM 0 H3 GLY A -6 -9.051 -7.976 24.577 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -11.300 -6.353 24.151 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -9.613 -6.036 23.796 1.00 0.00 H new ATOM 8 N SER A -5 -10.981 -5.802 21.508 1.00 0.00 N ATOM 9 CA SER A -5 -11.276 -5.820 20.080 1.00 0.00 C ATOM 10 C SER A -5 -9.991 -5.798 19.259 1.00 0.00 C ATOM 11 O SER A -5 -9.896 -5.096 18.253 1.00 0.00 O ATOM 12 CB SER A -5 -12.156 -4.627 19.704 1.00 0.00 C ATOM 13 OG SER A -5 -12.883 -4.883 18.515 1.00 0.00 O ATOM 0 H SER A -5 -11.011 -4.875 21.933 1.00 0.00 H new ATOM 0 HA SER A -5 -11.813 -6.742 19.857 1.00 0.00 H new ATOM 0 HB2 SER A -5 -12.848 -4.411 20.518 1.00 0.00 H new ATOM 0 HB3 SER A -5 -11.535 -3.741 19.571 1.00 0.00 H new ATOM 0 HG SER A -5 -13.439 -4.106 18.298 1.00 0.00 H new ATOM 19 N SER A -4 -9.003 -6.572 19.697 1.00 0.00 N ATOM 20 CA SER A -4 -7.721 -6.640 19.006 1.00 0.00 C ATOM 21 C SER A -4 -7.272 -5.252 18.556 1.00 0.00 C ATOM 22 O SER A -4 -6.771 -5.079 17.446 1.00 0.00 O ATOM 23 CB SER A -4 -7.817 -7.573 17.797 1.00 0.00 C ATOM 24 OG SER A -4 -6.529 -7.953 17.343 1.00 0.00 O ATOM 0 H SER A -4 -9.066 -7.161 20.527 1.00 0.00 H new ATOM 0 HA SER A -4 -6.982 -7.035 19.703 1.00 0.00 H new ATOM 0 HB2 SER A -4 -8.389 -8.462 18.064 1.00 0.00 H new ATOM 0 HB3 SER A -4 -8.358 -7.076 16.992 1.00 0.00 H new ATOM 0 HG SER A -4 -6.013 -7.152 17.114 1.00 0.00 H new ATOM 30 N GLY A -3 -7.457 -4.266 19.428 1.00 0.00 N ATOM 31 CA GLY A -3 -7.067 -2.906 19.104 1.00 0.00 C ATOM 32 C GLY A -3 -7.380 -1.931 20.222 1.00 0.00 C ATOM 33 O GLY A -3 -8.092 -0.948 20.016 1.00 0.00 O ATOM 0 H GLY A -3 -7.870 -4.384 20.353 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -5.998 -2.879 18.891 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -7.581 -2.590 18.196 1.00 0.00 H new ATOM 37 N SER A -2 -6.849 -2.204 21.409 1.00 0.00 N ATOM 38 CA SER A -2 -7.079 -1.346 22.566 1.00 0.00 C ATOM 39 C SER A -2 -5.992 -0.282 22.678 1.00 0.00 C ATOM 40 O SER A -2 -6.279 0.891 22.917 1.00 0.00 O ATOM 41 CB SER A -2 -7.125 -2.182 23.846 1.00 0.00 C ATOM 42 OG SER A -2 -8.392 -2.796 24.010 1.00 0.00 O ATOM 0 H SER A -2 -6.256 -3.013 21.595 1.00 0.00 H new ATOM 0 HA SER A -2 -8.039 -0.847 22.432 1.00 0.00 H new ATOM 0 HB2 SER A -2 -6.349 -2.946 23.813 1.00 0.00 H new ATOM 0 HB3 SER A -2 -6.911 -1.548 24.706 1.00 0.00 H new ATOM 0 HG SER A -2 -8.395 -3.326 24.834 1.00 0.00 H new ATOM 48 N SER A -1 -4.743 -0.701 22.505 1.00 0.00 N ATOM 49 CA SER A -1 -3.611 0.214 22.591 1.00 0.00 C ATOM 50 C SER A -1 -3.112 0.593 21.200 1.00 0.00 C ATOM 51 O SER A -1 -2.586 -0.244 20.468 1.00 0.00 O ATOM 52 CB SER A -1 -2.476 -0.419 23.398 1.00 0.00 C ATOM 53 OG SER A -1 -2.734 -0.342 24.789 1.00 0.00 O ATOM 0 H SER A -1 -4.489 -1.668 22.304 1.00 0.00 H new ATOM 0 HA SER A -1 -3.945 1.120 23.097 1.00 0.00 H new ATOM 0 HB2 SER A -1 -2.355 -1.462 23.105 1.00 0.00 H new ATOM 0 HB3 SER A -1 -1.538 0.087 23.171 1.00 0.00 H new ATOM 0 HG SER A -1 -1.995 -0.755 25.282 1.00 0.00 H new ATOM 59 N GLY A 0 -3.281 1.862 20.842 1.00 0.00 N ATOM 60 CA GLY A 0 -2.843 2.331 19.540 1.00 0.00 C ATOM 61 C GLY A 0 -4.004 2.660 18.622 1.00 0.00 C ATOM 62 O GLY A 0 -4.089 2.143 17.509 1.00 0.00 O ATOM 0 H GLY A 0 -3.714 2.574 21.430 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -2.221 3.217 19.667 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -2.219 1.568 19.073 1.00 0.00 H new ATOM 66 N MET A 1 -4.900 3.523 19.091 1.00 0.00 N ATOM 67 CA MET A 1 -6.061 3.920 18.303 1.00 0.00 C ATOM 68 C MET A 1 -5.633 4.562 16.988 1.00 0.00 C ATOM 69 O MET A 1 -6.174 4.248 15.928 1.00 0.00 O ATOM 70 CB MET A 1 -6.935 4.893 19.098 1.00 0.00 C ATOM 71 CG MET A 1 -7.534 4.283 20.356 1.00 0.00 C ATOM 72 SD MET A 1 -7.994 5.526 21.578 1.00 0.00 S ATOM 73 CE MET A 1 -9.648 4.986 22.004 1.00 0.00 C ATOM 0 H MET A 1 -4.844 3.960 20.011 1.00 0.00 H new ATOM 0 HA MET A 1 -6.639 3.024 18.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.338 5.762 19.374 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.742 5.250 18.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.414 3.699 20.088 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.816 3.593 20.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.068 5.657 22.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.275 4.998 21.113 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.608 3.974 22.406 1.00 0.00 H new ATOM 83 N SER A 2 -4.658 5.463 17.064 1.00 0.00 N ATOM 84 CA SER A 2 -4.160 6.152 15.879 1.00 0.00 C ATOM 85 C SER A 2 -2.811 6.807 16.159 1.00 0.00 C ATOM 86 O SER A 2 -2.514 7.183 17.292 1.00 0.00 O ATOM 87 CB SER A 2 -5.166 7.207 15.416 1.00 0.00 C ATOM 88 OG SER A 2 -5.101 8.365 16.231 1.00 0.00 O ATOM 0 H SER A 2 -4.198 5.733 17.933 1.00 0.00 H new ATOM 0 HA SER A 2 -4.029 5.414 15.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.964 7.476 14.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.173 6.792 15.448 1.00 0.00 H new ATOM 0 HG SER A 2 -5.752 9.025 15.914 1.00 0.00 H new ATOM 94 N GLY A 3 -1.997 6.940 15.116 1.00 0.00 N ATOM 95 CA GLY A 3 -0.689 7.550 15.269 1.00 0.00 C ATOM 96 C GLY A 3 0.344 6.948 14.336 1.00 0.00 C ATOM 97 O GLY A 3 0.082 6.758 13.149 1.00 0.00 O ATOM 0 H GLY A 3 -2.220 6.636 14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.766 8.620 15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.355 7.433 16.300 1.00 0.00 H new ATOM 101 N GLY A 4 1.523 6.650 14.874 1.00 0.00 N ATOM 102 CA GLY A 4 2.581 6.072 14.067 1.00 0.00 C ATOM 103 C GLY A 4 3.390 7.122 13.333 1.00 0.00 C ATOM 104 O GLY A 4 3.679 8.188 13.879 1.00 0.00 O ATOM 0 H GLY A 4 1.764 6.799 15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.244 5.489 14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.146 5.382 13.344 1.00 0.00 H new ATOM 108 N LEU A 5 3.759 6.822 12.092 1.00 0.00 N ATOM 109 CA LEU A 5 4.542 7.749 11.282 1.00 0.00 C ATOM 110 C LEU A 5 3.855 8.019 9.947 1.00 0.00 C ATOM 111 O LEU A 5 2.945 7.293 9.548 1.00 0.00 O ATOM 112 CB LEU A 5 5.944 7.188 11.042 1.00 0.00 C ATOM 113 CG LEU A 5 7.020 8.207 10.665 1.00 0.00 C ATOM 114 CD1 LEU A 5 7.202 9.227 11.779 1.00 0.00 C ATOM 115 CD2 LEU A 5 8.336 7.506 10.361 1.00 0.00 C ATOM 0 H LEU A 5 3.529 5.945 11.625 1.00 0.00 H new ATOM 0 HA LEU A 5 4.622 8.690 11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.265 6.668 11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.884 6.443 10.249 1.00 0.00 H new ATOM 0 HG LEU A 5 6.696 8.733 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.972 9.944 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.262 9.752 11.949 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.503 8.717 12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.090 8.247 10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.665 6.953 11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.197 6.815 9.530 1.00 0.00 H new ATOM 127 N ALA A 6 4.298 9.068 9.261 1.00 0.00 N ATOM 128 CA ALA A 6 3.729 9.431 7.969 1.00 0.00 C ATOM 129 C ALA A 6 2.279 9.879 8.115 1.00 0.00 C ATOM 130 O ALA A 6 1.375 9.359 7.460 1.00 0.00 O ATOM 131 CB ALA A 6 3.828 8.262 7.001 1.00 0.00 C ATOM 0 H ALA A 6 5.049 9.681 9.579 1.00 0.00 H new ATOM 0 HA ALA A 6 4.302 10.268 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.399 8.548 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.875 7.990 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.281 7.409 7.403 1.00 0.00 H new ATOM 137 N PRO A 7 2.048 10.866 8.993 1.00 0.00 N ATOM 138 CA PRO A 7 0.709 11.405 9.245 1.00 0.00 C ATOM 139 C PRO A 7 0.172 12.201 8.061 1.00 0.00 C ATOM 140 O PRO A 7 -0.901 12.799 8.137 1.00 0.00 O ATOM 141 CB PRO A 7 0.916 12.320 10.455 1.00 0.00 C ATOM 142 CG PRO A 7 2.352 12.712 10.391 1.00 0.00 C ATOM 143 CD PRO A 7 3.078 11.532 9.808 1.00 0.00 C ATOM 0 HA PRO A 7 -0.023 10.615 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.265 13.193 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.688 11.802 11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.487 13.598 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.735 12.955 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.930 11.843 9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.463 10.873 10.586 1.00 0.00 H new ATOM 151 N SER A 8 0.926 12.205 6.966 1.00 0.00 N ATOM 152 CA SER A 8 0.527 12.931 5.766 1.00 0.00 C ATOM 153 C SER A 8 -0.649 12.243 5.080 1.00 0.00 C ATOM 154 O SER A 8 -0.826 11.030 5.193 1.00 0.00 O ATOM 155 CB SER A 8 1.705 13.041 4.796 1.00 0.00 C ATOM 156 OG SER A 8 2.141 11.760 4.376 1.00 0.00 O ATOM 0 H SER A 8 1.816 11.714 6.885 1.00 0.00 H new ATOM 0 HA SER A 8 0.216 13.932 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.411 13.631 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.528 13.569 5.277 1.00 0.00 H new ATOM 0 HG SER A 8 1.917 11.632 3.431 1.00 0.00 H new ATOM 162 N LYS A 9 -1.451 13.027 4.367 1.00 0.00 N ATOM 163 CA LYS A 9 -2.611 12.495 3.661 1.00 0.00 C ATOM 164 C LYS A 9 -2.203 11.368 2.717 1.00 0.00 C ATOM 165 O LYS A 9 -2.690 10.243 2.832 1.00 0.00 O ATOM 166 CB LYS A 9 -3.307 13.607 2.873 1.00 0.00 C ATOM 167 CG LYS A 9 -4.056 14.596 3.750 1.00 0.00 C ATOM 168 CD LYS A 9 -5.292 13.967 4.370 1.00 0.00 C ATOM 169 CE LYS A 9 -6.039 14.957 5.251 1.00 0.00 C ATOM 170 NZ LYS A 9 -6.890 15.880 4.450 1.00 0.00 N ATOM 0 H LYS A 9 -1.319 14.033 4.263 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.303 12.093 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.563 14.145 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.006 13.158 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.396 14.957 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.347 15.463 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.954 13.609 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.002 13.099 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.662 14.413 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.323 15.537 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.382 16.539 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.293 16.418 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.590 15.329 3.913 1.00 0.00 H new ATOM 184 N SER A 10 -1.306 11.677 1.786 1.00 0.00 N ATOM 185 CA SER A 10 -0.835 10.690 0.822 1.00 0.00 C ATOM 186 C SER A 10 -0.797 9.297 1.444 1.00 0.00 C ATOM 187 O SER A 10 -1.382 8.351 0.915 1.00 0.00 O ATOM 188 CB SER A 10 0.555 11.070 0.309 1.00 0.00 C ATOM 189 OG SER A 10 1.433 11.360 1.383 1.00 0.00 O ATOM 0 H SER A 10 -0.891 12.603 1.679 1.00 0.00 H new ATOM 0 HA SER A 10 -1.532 10.676 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.962 10.253 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.479 11.937 -0.347 1.00 0.00 H new ATOM 0 HG SER A 10 2.315 11.599 1.029 1.00 0.00 H new ATOM 195 N THR A 11 -0.104 9.179 2.572 1.00 0.00 N ATOM 196 CA THR A 11 0.013 7.903 3.267 1.00 0.00 C ATOM 197 C THR A 11 -1.360 7.314 3.569 1.00 0.00 C ATOM 198 O THR A 11 -2.309 8.042 3.861 1.00 0.00 O ATOM 199 CB THR A 11 0.797 8.051 4.585 1.00 0.00 C ATOM 200 OG1 THR A 11 2.104 8.573 4.322 1.00 0.00 O ATOM 201 CG2 THR A 11 0.914 6.712 5.297 1.00 0.00 C ATOM 0 H THR A 11 0.385 9.952 3.024 1.00 0.00 H new ATOM 0 HA THR A 11 0.556 7.230 2.603 1.00 0.00 H new ATOM 0 HB THR A 11 0.254 8.742 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.073 9.552 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.471 6.841 6.225 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.082 6.331 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.437 6.003 4.655 1.00 0.00 H new ATOM 209 N VAL A 12 -1.459 5.990 3.497 1.00 0.00 N ATOM 210 CA VAL A 12 -2.717 5.302 3.764 1.00 0.00 C ATOM 211 C VAL A 12 -2.543 4.239 4.843 1.00 0.00 C ATOM 212 O VAL A 12 -1.870 3.231 4.633 1.00 0.00 O ATOM 213 CB VAL A 12 -3.276 4.639 2.491 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.612 3.972 2.780 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.412 5.663 1.374 1.00 0.00 C ATOM 0 H VAL A 12 -0.683 5.373 3.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.423 6.056 4.111 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.576 3.870 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.992 3.509 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.479 3.209 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.323 4.719 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.808 5.178 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.091 6.456 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.434 6.090 1.151 1.00 0.00 H new ATOM 225 N TYR A 13 -3.156 4.472 5.999 1.00 0.00 N ATOM 226 CA TYR A 13 -3.068 3.535 7.113 1.00 0.00 C ATOM 227 C TYR A 13 -3.820 2.245 6.801 1.00 0.00 C ATOM 228 O TYR A 13 -5.047 2.194 6.882 1.00 0.00 O ATOM 229 CB TYR A 13 -3.628 4.171 8.386 1.00 0.00 C ATOM 230 CG TYR A 13 -3.157 3.498 9.656 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.283 2.125 9.826 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.586 4.236 10.686 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.855 1.506 10.985 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.154 3.626 11.848 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.291 2.261 11.993 1.00 0.00 C ATOM 236 OH TYR A 13 -1.862 1.649 13.148 1.00 0.00 O ATOM 0 H TYR A 13 -3.719 5.301 6.189 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.017 3.292 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.341 5.222 8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.717 4.139 8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.723 1.531 9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.478 5.305 10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.961 0.438 11.101 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.712 4.214 12.638 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.489 2.321 13.755 1.00 0.00 H new ATOM 246 N VAL A 14 -3.075 1.204 6.444 1.00 0.00 N ATOM 247 CA VAL A 14 -3.669 -0.087 6.121 1.00 0.00 C ATOM 248 C VAL A 14 -3.336 -1.127 7.185 1.00 0.00 C ATOM 249 O VAL A 14 -2.174 -1.310 7.546 1.00 0.00 O ATOM 250 CB VAL A 14 -3.189 -0.599 4.750 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.090 -1.719 4.252 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.137 0.541 3.744 1.00 0.00 C ATOM 0 H VAL A 14 -2.058 1.230 6.371 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.748 0.061 6.087 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.182 -0.999 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.735 -2.068 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.071 -2.545 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.110 -1.348 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.796 0.161 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.131 0.973 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.446 1.307 4.097 1.00 0.00 H new ATOM 262 N SER A 15 -4.364 -1.806 7.683 1.00 0.00 N ATOM 263 CA SER A 15 -4.181 -2.827 8.708 1.00 0.00 C ATOM 264 C SER A 15 -4.701 -4.178 8.229 1.00 0.00 C ATOM 265 O SER A 15 -5.395 -4.265 7.217 1.00 0.00 O ATOM 266 CB SER A 15 -4.900 -2.419 9.997 1.00 0.00 C ATOM 267 OG SER A 15 -6.231 -2.014 9.732 1.00 0.00 O ATOM 0 H SER A 15 -5.332 -1.668 7.393 1.00 0.00 H new ATOM 0 HA SER A 15 -3.113 -2.919 8.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.903 -3.256 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.358 -1.605 10.478 1.00 0.00 H new ATOM 0 HG SER A 15 -6.689 -1.821 10.577 1.00 0.00 H new ATOM 273 N ASN A 16 -4.359 -5.231 8.964 1.00 0.00 N ATOM 274 CA ASN A 16 -4.790 -6.580 8.614 1.00 0.00 C ATOM 275 C ASN A 16 -4.220 -7.000 7.263 1.00 0.00 C ATOM 276 O ASN A 16 -4.922 -7.582 6.434 1.00 0.00 O ATOM 277 CB ASN A 16 -6.317 -6.658 8.583 1.00 0.00 C ATOM 278 CG ASN A 16 -6.904 -7.046 9.926 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.925 -6.245 10.862 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.385 -8.279 10.028 1.00 0.00 N ATOM 0 H ASN A 16 -3.785 -5.177 9.805 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.414 -7.264 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.721 -5.693 8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.626 -7.384 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.793 -8.596 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.347 -8.909 9.227 1.00 0.00 H new ATOM 287 N LEU A 17 -2.944 -6.701 7.046 1.00 0.00 N ATOM 288 CA LEU A 17 -2.279 -7.048 5.795 1.00 0.00 C ATOM 289 C LEU A 17 -1.464 -8.329 5.948 1.00 0.00 C ATOM 290 O LEU A 17 -0.816 -8.563 6.968 1.00 0.00 O ATOM 291 CB LEU A 17 -1.370 -5.903 5.344 1.00 0.00 C ATOM 292 CG LEU A 17 -2.072 -4.691 4.731 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.142 -3.488 4.714 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.560 -5.010 3.326 1.00 0.00 C ATOM 0 H LEU A 17 -2.349 -6.219 7.720 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.046 -7.215 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.790 -5.566 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.661 -6.294 4.615 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.937 -4.447 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.659 -2.635 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.843 -3.245 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.257 -3.721 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.057 -4.135 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.711 -5.281 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.262 -5.843 3.365 1.00 0.00 H new ATOM 306 N PRO A 18 -1.495 -9.178 4.910 1.00 0.00 N ATOM 307 CA PRO A 18 -0.763 -10.448 4.904 1.00 0.00 C ATOM 308 C PRO A 18 0.746 -10.247 4.820 1.00 0.00 C ATOM 309 O PRO A 18 1.340 -10.371 3.749 1.00 0.00 O ATOM 310 CB PRO A 18 -1.280 -11.149 3.645 1.00 0.00 C ATOM 311 CG PRO A 18 -1.730 -10.043 2.754 1.00 0.00 C ATOM 312 CD PRO A 18 -2.247 -8.963 3.662 1.00 0.00 C ATOM 0 HA PRO A 18 -0.923 -11.015 5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.498 -11.744 3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.100 -11.828 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.907 -9.676 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.508 -10.384 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.066 -7.970 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.322 -9.051 3.820 1.00 0.00 H new ATOM 320 N PHE A 19 1.361 -9.936 5.957 1.00 0.00 N ATOM 321 CA PHE A 19 2.801 -9.717 6.011 1.00 0.00 C ATOM 322 C PHE A 19 3.538 -10.724 5.134 1.00 0.00 C ATOM 323 O PHE A 19 4.626 -10.446 4.630 1.00 0.00 O ATOM 324 CB PHE A 19 3.300 -9.820 7.454 1.00 0.00 C ATOM 325 CG PHE A 19 2.646 -10.923 8.237 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.449 -10.704 8.900 1.00 0.00 C ATOM 327 CD2 PHE A 19 3.228 -12.178 8.309 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.846 -11.717 9.622 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.629 -13.195 9.029 1.00 0.00 C ATOM 330 CZ PHE A 19 1.436 -12.964 9.685 1.00 0.00 C ATOM 0 H PHE A 19 0.884 -9.830 6.852 1.00 0.00 H new ATOM 0 HA PHE A 19 3.005 -8.715 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.378 -9.980 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.122 -8.871 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.982 -9.731 8.852 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.160 -12.364 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.086 -11.533 10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.093 -14.169 9.078 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.965 -13.757 10.246 1.00 0.00 H new ATOM 340 N SER A 20 2.937 -11.897 4.956 1.00 0.00 N ATOM 341 CA SER A 20 3.537 -12.948 4.144 1.00 0.00 C ATOM 342 C SER A 20 4.139 -12.371 2.866 1.00 0.00 C ATOM 343 O SER A 20 5.196 -12.810 2.410 1.00 0.00 O ATOM 344 CB SER A 20 2.493 -14.010 3.794 1.00 0.00 C ATOM 345 OG SER A 20 1.835 -14.481 4.957 1.00 0.00 O ATOM 0 H SER A 20 2.035 -12.142 5.364 1.00 0.00 H new ATOM 0 HA SER A 20 4.335 -13.410 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.761 -13.591 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.975 -14.843 3.282 1.00 0.00 H new ATOM 0 HG SER A 20 1.172 -15.157 4.706 1.00 0.00 H new ATOM 351 N LEU A 21 3.460 -11.383 2.294 1.00 0.00 N ATOM 352 CA LEU A 21 3.926 -10.743 1.068 1.00 0.00 C ATOM 353 C LEU A 21 5.157 -9.884 1.337 1.00 0.00 C ATOM 354 O LEU A 21 5.683 -9.864 2.450 1.00 0.00 O ATOM 355 CB LEU A 21 2.814 -9.886 0.462 1.00 0.00 C ATOM 356 CG LEU A 21 1.416 -10.505 0.458 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.421 -9.572 -0.215 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.434 -11.859 -0.236 1.00 0.00 C ATOM 0 H LEU A 21 2.585 -11.007 2.659 1.00 0.00 H new ATOM 0 HA LEU A 21 4.199 -11.525 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.771 -8.944 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.086 -9.647 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 21 1.102 -10.653 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.568 -10.029 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.387 -8.626 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.730 -9.391 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.431 -12.285 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.769 -11.736 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.115 -12.528 0.289 1.00 0.00 H new ATOM 370 N THR A 22 5.612 -9.172 0.310 1.00 0.00 N ATOM 371 CA THR A 22 6.780 -8.310 0.435 1.00 0.00 C ATOM 372 C THR A 22 6.476 -6.899 -0.056 1.00 0.00 C ATOM 373 O THR A 22 5.564 -6.692 -0.855 1.00 0.00 O ATOM 374 CB THR A 22 7.978 -8.869 -0.354 1.00 0.00 C ATOM 375 OG1 THR A 22 9.141 -8.068 -0.112 1.00 0.00 O ATOM 376 CG2 THR A 22 7.678 -8.899 -1.845 1.00 0.00 C ATOM 0 H THR A 22 5.188 -9.176 -0.618 1.00 0.00 H new ATOM 0 HA THR A 22 7.036 -8.276 1.494 1.00 0.00 H new ATOM 0 HB THR A 22 8.163 -9.889 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.899 -8.431 -0.616 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.539 -9.298 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.811 -9.533 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.469 -7.888 -2.195 1.00 0.00 H new ATOM 384 N ASN A 23 7.248 -5.930 0.428 1.00 0.00 N ATOM 385 CA ASN A 23 7.061 -4.537 0.037 1.00 0.00 C ATOM 386 C ASN A 23 6.609 -4.436 -1.416 1.00 0.00 C ATOM 387 O ASN A 23 5.691 -3.684 -1.740 1.00 0.00 O ATOM 388 CB ASN A 23 8.359 -3.752 0.235 1.00 0.00 C ATOM 389 CG ASN A 23 8.823 -3.756 1.679 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.800 -4.418 2.027 1.00 0.00 O ATOM 391 ND2 ASN A 23 8.120 -3.014 2.528 1.00 0.00 N ATOM 0 H ASN A 23 8.008 -6.084 1.091 1.00 0.00 H new ATOM 0 HA ASN A 23 6.285 -4.108 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.139 -4.180 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.212 -2.723 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.384 -2.977 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.317 -2.481 2.195 1.00 0.00 H new ATOM 398 N ASN A 24 7.260 -5.200 -2.287 1.00 0.00 N ATOM 399 CA ASN A 24 6.925 -5.196 -3.707 1.00 0.00 C ATOM 400 C ASN A 24 5.458 -5.556 -3.920 1.00 0.00 C ATOM 401 O ASN A 24 4.723 -4.836 -4.596 1.00 0.00 O ATOM 402 CB ASN A 24 7.819 -6.179 -4.466 1.00 0.00 C ATOM 403 CG ASN A 24 7.778 -5.958 -5.965 1.00 0.00 C ATOM 404 OD1 ASN A 24 6.740 -6.137 -6.603 1.00 0.00 O ATOM 405 ND2 ASN A 24 8.912 -5.567 -6.536 1.00 0.00 N ATOM 0 H ASN A 24 8.022 -5.829 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 24 7.094 -4.190 -4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.846 -6.078 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.505 -7.199 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.946 -5.403 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.748 -5.431 -5.968 1.00 0.00 H new ATOM 412 N ASP A 25 5.039 -6.675 -3.340 1.00 0.00 N ATOM 413 CA ASP A 25 3.659 -7.131 -3.464 1.00 0.00 C ATOM 414 C ASP A 25 2.683 -5.989 -3.195 1.00 0.00 C ATOM 415 O ASP A 25 1.937 -5.573 -4.083 1.00 0.00 O ATOM 416 CB ASP A 25 3.391 -8.286 -2.498 1.00 0.00 C ATOM 417 CG ASP A 25 3.822 -9.625 -3.062 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.351 -9.984 -4.162 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.630 -10.314 -2.405 1.00 0.00 O ATOM 0 H ASP A 25 5.635 -7.284 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 25 3.509 -7.481 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.919 -8.103 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.327 -8.320 -2.263 1.00 0.00 H new ATOM 424 N LEU A 26 2.692 -5.488 -1.965 1.00 0.00 N ATOM 425 CA LEU A 26 1.807 -4.395 -1.578 1.00 0.00 C ATOM 426 C LEU A 26 1.803 -3.297 -2.637 1.00 0.00 C ATOM 427 O LEU A 26 0.756 -2.958 -3.190 1.00 0.00 O ATOM 428 CB LEU A 26 2.239 -3.816 -0.229 1.00 0.00 C ATOM 429 CG LEU A 26 2.184 -4.775 0.961 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.943 -4.199 2.146 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.740 -5.069 1.342 1.00 0.00 C ATOM 0 H LEU A 26 3.302 -5.821 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 26 0.796 -4.793 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.260 -3.446 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.608 -2.956 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 26 2.661 -5.711 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.893 -4.895 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.985 -4.040 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.496 -3.248 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.720 -5.753 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.239 -4.140 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.226 -5.525 0.496 1.00 0.00 H new ATOM 443 N TYR A 27 2.979 -2.746 -2.916 1.00 0.00 N ATOM 444 CA TYR A 27 3.111 -1.686 -3.908 1.00 0.00 C ATOM 445 C TYR A 27 2.135 -1.896 -5.062 1.00 0.00 C ATOM 446 O TYR A 27 1.409 -0.981 -5.450 1.00 0.00 O ATOM 447 CB TYR A 27 4.544 -1.633 -4.441 1.00 0.00 C ATOM 448 CG TYR A 27 4.782 -0.513 -5.428 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.226 -0.553 -6.701 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.563 0.585 -5.089 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.441 0.467 -7.607 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.782 1.611 -5.988 1.00 0.00 C ATOM 453 CZ TYR A 27 5.219 1.547 -7.246 1.00 0.00 C ATOM 454 OH TYR A 27 5.436 2.567 -8.144 1.00 0.00 O ATOM 0 H TYR A 27 3.855 -3.016 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 27 2.875 -0.738 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.231 -1.519 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.780 -2.584 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.615 -1.396 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.007 0.637 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.002 0.419 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.390 2.458 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 27 5.455 3.423 -7.668 1.00 0.00 H new ATOM 464 N ARG A 28 2.125 -3.109 -5.607 1.00 0.00 N ATOM 465 CA ARG A 28 1.239 -3.440 -6.716 1.00 0.00 C ATOM 466 C ARG A 28 -0.210 -3.529 -6.248 1.00 0.00 C ATOM 467 O ARG A 28 -1.102 -2.919 -6.838 1.00 0.00 O ATOM 468 CB ARG A 28 1.662 -4.764 -7.356 1.00 0.00 C ATOM 469 CG ARG A 28 2.828 -4.629 -8.322 1.00 0.00 C ATOM 470 CD ARG A 28 3.285 -5.985 -8.836 1.00 0.00 C ATOM 471 NE ARG A 28 2.512 -6.419 -9.996 1.00 0.00 N ATOM 472 CZ ARG A 28 2.579 -7.643 -10.509 1.00 0.00 C ATOM 473 NH1 ARG A 28 3.381 -8.549 -9.966 1.00 0.00 N ATOM 474 NH2 ARG A 28 1.844 -7.963 -11.566 1.00 0.00 N ATOM 0 H ARG A 28 2.720 -3.878 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 28 1.314 -2.645 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.933 -5.468 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.810 -5.190 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.535 -4.000 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.658 -4.129 -7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.341 -5.935 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.192 -6.725 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 28 1.886 -5.745 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.948 -8.307 -9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.431 -9.488 -10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.226 -7.269 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.897 -8.903 -11.958 1.00 0.00 H new ATOM 488 N ILE A 29 -0.436 -4.293 -5.184 1.00 0.00 N ATOM 489 CA ILE A 29 -1.777 -4.461 -4.637 1.00 0.00 C ATOM 490 C ILE A 29 -2.470 -3.115 -4.456 1.00 0.00 C ATOM 491 O ILE A 29 -3.691 -3.012 -4.575 1.00 0.00 O ATOM 492 CB ILE A 29 -1.744 -5.195 -3.283 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.272 -6.638 -3.471 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.117 -5.162 -2.629 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.946 -7.341 -2.172 1.00 0.00 C ATOM 0 H ILE A 29 0.291 -4.805 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.337 -5.061 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.038 -4.685 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.046 -7.200 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.388 -6.642 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.077 -5.685 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.417 -4.127 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.842 -5.651 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.618 -8.359 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.151 -6.803 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.834 -7.368 -1.540 1.00 0.00 H new ATOM 507 N PHE A 30 -1.682 -2.084 -4.170 1.00 0.00 N ATOM 508 CA PHE A 30 -2.219 -0.742 -3.974 1.00 0.00 C ATOM 509 C PHE A 30 -2.108 0.081 -5.254 1.00 0.00 C ATOM 510 O PHE A 30 -2.690 1.160 -5.364 1.00 0.00 O ATOM 511 CB PHE A 30 -1.482 -0.036 -2.834 1.00 0.00 C ATOM 512 CG PHE A 30 -1.781 -0.611 -1.479 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.939 -0.259 -0.804 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.906 -1.503 -0.882 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.216 -0.786 0.444 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.178 -2.034 0.365 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.336 -1.675 1.028 1.00 0.00 C ATOM 0 H PHE A 30 -0.669 -2.152 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.273 -0.834 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.409 -0.094 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.750 1.021 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.632 0.434 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.000 -1.787 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.120 -0.502 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.487 -2.728 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.552 -2.089 2.002 1.00 0.00 H new ATOM 527 N SER A 31 -1.355 -0.437 -6.220 1.00 0.00 N ATOM 528 CA SER A 31 -1.163 0.251 -7.491 1.00 0.00 C ATOM 529 C SER A 31 -2.474 0.332 -8.268 1.00 0.00 C ATOM 530 O SER A 31 -2.787 1.356 -8.876 1.00 0.00 O ATOM 531 CB SER A 31 -0.104 -0.467 -8.329 1.00 0.00 C ATOM 532 OG SER A 31 0.050 0.149 -9.595 1.00 0.00 O ATOM 0 H SER A 31 -0.868 -1.330 -6.146 1.00 0.00 H new ATOM 0 HA SER A 31 -0.823 1.265 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.849 -0.460 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.387 -1.511 -8.461 1.00 0.00 H new ATOM 0 HG SER A 31 0.734 -0.328 -10.110 1.00 0.00 H new ATOM 538 N LYS A 32 -3.236 -0.757 -8.245 1.00 0.00 N ATOM 539 CA LYS A 32 -4.514 -0.811 -8.946 1.00 0.00 C ATOM 540 C LYS A 32 -5.350 0.429 -8.650 1.00 0.00 C ATOM 541 O LYS A 32 -6.273 0.760 -9.394 1.00 0.00 O ATOM 542 CB LYS A 32 -5.286 -2.069 -8.542 1.00 0.00 C ATOM 543 CG LYS A 32 -5.718 -2.076 -7.085 1.00 0.00 C ATOM 544 CD LYS A 32 -6.620 -3.259 -6.777 1.00 0.00 C ATOM 545 CE LYS A 32 -6.447 -3.733 -5.342 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.397 -4.782 -5.227 1.00 0.00 N ATOM 0 H LYS A 32 -2.991 -1.614 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.312 -0.843 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.169 -2.162 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.664 -2.944 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.837 -2.112 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.242 -1.148 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.660 -2.979 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.395 -4.077 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.184 -2.885 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.394 -4.125 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.708 -5.512 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.235 -5.215 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.513 -4.352 -4.887 1.00 0.00 H new ATOM 560 N TYR A 33 -5.020 1.113 -7.560 1.00 0.00 N ATOM 561 CA TYR A 33 -5.742 2.318 -7.166 1.00 0.00 C ATOM 562 C TYR A 33 -4.953 3.571 -7.534 1.00 0.00 C ATOM 563 O TYR A 33 -5.443 4.436 -8.258 1.00 0.00 O ATOM 564 CB TYR A 33 -6.021 2.301 -5.662 1.00 0.00 C ATOM 565 CG TYR A 33 -6.765 1.069 -5.198 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.991 0.723 -5.753 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.241 0.250 -4.205 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.674 -0.401 -5.331 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.917 -0.877 -3.778 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.133 -1.198 -4.344 1.00 0.00 C ATOM 571 OH TYR A 33 -8.810 -2.319 -3.922 1.00 0.00 O ATOM 0 H TYR A 33 -4.258 0.854 -6.934 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.689 2.336 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.075 2.368 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.600 3.186 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.417 1.343 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.289 0.499 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.627 -0.654 -5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.495 -1.503 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.343 -2.677 -4.662 1.00 0.00 H new ATOM 581 N GLY A 34 -3.726 3.660 -7.028 1.00 0.00 N ATOM 582 CA GLY A 34 -2.888 4.809 -7.315 1.00 0.00 C ATOM 583 C GLY A 34 -1.410 4.479 -7.249 1.00 0.00 C ATOM 584 O GLY A 34 -0.964 3.767 -6.350 1.00 0.00 O ATOM 0 H GLY A 34 -3.298 2.957 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.128 5.191 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.112 5.605 -6.604 1.00 0.00 H new ATOM 588 N LYS A 35 -0.647 4.997 -8.206 1.00 0.00 N ATOM 589 CA LYS A 35 0.790 4.754 -8.255 1.00 0.00 C ATOM 590 C LYS A 35 1.415 4.904 -6.871 1.00 0.00 C ATOM 591 O LYS A 35 1.133 5.863 -6.153 1.00 0.00 O ATOM 592 CB LYS A 35 1.458 5.721 -9.235 1.00 0.00 C ATOM 593 CG LYS A 35 2.720 5.165 -9.873 1.00 0.00 C ATOM 594 CD LYS A 35 2.404 4.355 -11.119 1.00 0.00 C ATOM 595 CE LYS A 35 3.673 3.869 -11.804 1.00 0.00 C ATOM 596 NZ LYS A 35 4.409 2.879 -10.969 1.00 0.00 N ATOM 0 H LYS A 35 -1.000 5.588 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 35 0.949 3.731 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.747 5.978 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.702 6.645 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.390 5.985 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.246 4.538 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.784 3.500 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.825 4.964 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.418 3.418 -12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.321 4.720 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.240 2.534 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.719 3.332 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.783 2.079 -10.747 1.00 0.00 H new ATOM 610 N VAL A 36 2.264 3.950 -6.504 1.00 0.00 N ATOM 611 CA VAL A 36 2.931 3.978 -5.208 1.00 0.00 C ATOM 612 C VAL A 36 4.356 4.505 -5.334 1.00 0.00 C ATOM 613 O VAL A 36 5.079 4.155 -6.266 1.00 0.00 O ATOM 614 CB VAL A 36 2.969 2.578 -4.566 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.687 2.624 -3.226 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.559 2.028 -4.406 1.00 0.00 C ATOM 0 H VAL A 36 2.506 3.148 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 36 2.354 4.647 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 36 3.523 1.910 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.704 1.626 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.709 2.973 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.163 3.306 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.604 1.038 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.979 2.695 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.083 1.956 -5.384 1.00 0.00 H new ATOM 626 N VAL A 37 4.754 5.350 -4.388 1.00 0.00 N ATOM 627 CA VAL A 37 6.093 5.926 -4.391 1.00 0.00 C ATOM 628 C VAL A 37 7.006 5.200 -3.410 1.00 0.00 C ATOM 629 O VAL A 37 8.146 4.868 -3.734 1.00 0.00 O ATOM 630 CB VAL A 37 6.061 7.424 -4.033 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.474 7.969 -3.888 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.284 8.205 -5.082 1.00 0.00 C ATOM 0 H VAL A 37 4.168 5.651 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 37 6.485 5.810 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 37 5.553 7.541 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.431 9.028 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.993 7.428 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.011 7.842 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.271 9.261 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.762 8.083 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.261 7.831 -5.131 1.00 0.00 H new ATOM 642 N LYS A 38 6.497 4.955 -2.207 1.00 0.00 N ATOM 643 CA LYS A 38 7.264 4.265 -1.177 1.00 0.00 C ATOM 644 C LYS A 38 6.351 3.430 -0.285 1.00 0.00 C ATOM 645 O LYS A 38 5.238 3.843 0.040 1.00 0.00 O ATOM 646 CB LYS A 38 8.039 5.276 -0.328 1.00 0.00 C ATOM 647 CG LYS A 38 9.189 5.937 -1.068 1.00 0.00 C ATOM 648 CD LYS A 38 9.620 7.227 -0.390 1.00 0.00 C ATOM 649 CE LYS A 38 10.550 6.956 0.782 1.00 0.00 C ATOM 650 NZ LYS A 38 9.797 6.695 2.040 1.00 0.00 N ATOM 0 H LYS A 38 5.556 5.225 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 38 7.969 3.596 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.352 6.047 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.429 4.772 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.034 5.250 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.889 6.147 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.122 7.869 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.740 7.767 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.182 6.098 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.212 7.810 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.347 7.041 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.882 7.189 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.635 5.673 2.142 1.00 0.00 H new ATOM 664 N VAL A 39 6.829 2.254 0.109 1.00 0.00 N ATOM 665 CA VAL A 39 6.057 1.363 0.966 1.00 0.00 C ATOM 666 C VAL A 39 6.583 1.383 2.396 1.00 0.00 C ATOM 667 O VAL A 39 7.781 1.223 2.632 1.00 0.00 O ATOM 668 CB VAL A 39 6.085 -0.085 0.440 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.257 -0.994 1.334 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.588 -0.139 -0.997 1.00 0.00 C ATOM 0 H VAL A 39 7.748 1.896 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 39 5.029 1.726 0.956 1.00 0.00 H new ATOM 0 HB VAL A 39 7.115 -0.440 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.289 -2.012 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.663 -0.978 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.225 -0.645 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.614 -1.169 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.565 0.234 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.228 0.479 -1.627 1.00 0.00 H new ATOM 680 N THR A 40 5.679 1.580 3.351 1.00 0.00 N ATOM 681 CA THR A 40 6.052 1.621 4.759 1.00 0.00 C ATOM 682 C THR A 40 5.329 0.538 5.551 1.00 0.00 C ATOM 683 O THR A 40 4.138 0.299 5.350 1.00 0.00 O ATOM 684 CB THR A 40 5.737 2.994 5.383 1.00 0.00 C ATOM 685 OG1 THR A 40 6.486 4.018 4.719 1.00 0.00 O ATOM 686 CG2 THR A 40 6.065 3.001 6.869 1.00 0.00 C ATOM 0 H THR A 40 4.683 1.714 3.174 1.00 0.00 H new ATOM 0 HA THR A 40 7.127 1.446 4.807 1.00 0.00 H new ATOM 0 HB THR A 40 4.671 3.188 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.279 4.888 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.834 3.981 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.471 2.241 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.125 2.787 7.009 1.00 0.00 H new ATOM 694 N ILE A 41 6.056 -0.114 6.452 1.00 0.00 N ATOM 695 CA ILE A 41 5.482 -1.171 7.276 1.00 0.00 C ATOM 696 C ILE A 41 5.859 -0.991 8.742 1.00 0.00 C ATOM 697 O ILE A 41 6.999 -0.656 9.064 1.00 0.00 O ATOM 698 CB ILE A 41 5.944 -2.564 6.806 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.481 -2.821 5.371 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.413 -3.641 7.741 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.085 -4.064 4.755 1.00 0.00 C ATOM 0 H ILE A 41 7.043 0.071 6.630 1.00 0.00 H new ATOM 0 HA ILE A 41 4.399 -1.101 7.171 1.00 0.00 H new ATOM 0 HB ILE A 41 7.033 -2.596 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.395 -2.910 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.737 -1.959 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.748 -4.619 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.787 -3.464 8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.323 -3.612 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.712 -4.184 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.171 -3.969 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.808 -4.936 5.348 1.00 0.00 H new ATOM 713 N MET A 42 4.894 -1.218 9.628 1.00 0.00 N ATOM 714 CA MET A 42 5.125 -1.083 11.061 1.00 0.00 C ATOM 715 C MET A 42 5.850 -2.307 11.612 1.00 0.00 C ATOM 716 O MET A 42 5.875 -3.363 10.980 1.00 0.00 O ATOM 717 CB MET A 42 3.799 -0.887 11.797 1.00 0.00 C ATOM 718 CG MET A 42 3.236 0.520 11.672 1.00 0.00 C ATOM 719 SD MET A 42 4.077 1.702 12.743 1.00 0.00 S ATOM 720 CE MET A 42 4.006 3.181 11.736 1.00 0.00 C ATOM 0 H MET A 42 3.945 -1.496 9.378 1.00 0.00 H new ATOM 0 HA MET A 42 5.754 -0.207 11.222 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.069 -1.597 11.409 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.941 -1.120 12.852 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.320 0.850 10.637 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.174 0.505 11.917 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.897 3.784 11.911 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.958 2.902 10.683 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.120 3.758 11.999 1.00 0.00 H new ATOM 730 N LYS A 43 6.439 -2.159 12.794 1.00 0.00 N ATOM 731 CA LYS A 43 7.163 -3.252 13.431 1.00 0.00 C ATOM 732 C LYS A 43 7.150 -3.101 14.949 1.00 0.00 C ATOM 733 O LYS A 43 7.590 -2.084 15.485 1.00 0.00 O ATOM 734 CB LYS A 43 8.607 -3.297 12.925 1.00 0.00 C ATOM 735 CG LYS A 43 8.801 -4.204 11.722 1.00 0.00 C ATOM 736 CD LYS A 43 9.934 -3.716 10.834 1.00 0.00 C ATOM 737 CE LYS A 43 10.225 -4.701 9.711 1.00 0.00 C ATOM 738 NZ LYS A 43 10.822 -5.965 10.224 1.00 0.00 N ATOM 0 H LYS A 43 6.429 -1.291 13.330 1.00 0.00 H new ATOM 0 HA LYS A 43 6.664 -4.186 13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.923 -2.287 12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.256 -3.635 13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.013 -5.218 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.877 -4.247 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.674 -2.746 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.832 -3.571 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.302 -4.926 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.905 -4.243 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.191 -6.523 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.598 -5.741 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.094 -6.515 10.724 1.00 0.00 H new ATOM 752 N ASP A 44 6.644 -4.120 15.635 1.00 0.00 N ATOM 753 CA ASP A 44 6.577 -4.102 17.092 1.00 0.00 C ATOM 754 C ASP A 44 7.971 -3.982 17.699 1.00 0.00 C ATOM 755 O ASP A 44 8.967 -3.887 16.982 1.00 0.00 O ATOM 756 CB ASP A 44 5.889 -5.368 17.607 1.00 0.00 C ATOM 757 CG ASP A 44 5.224 -5.158 18.953 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.434 -4.199 19.081 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.494 -5.952 19.879 1.00 0.00 O ATOM 0 H ASP A 44 6.274 -4.968 15.206 1.00 0.00 H new ATOM 0 HA ASP A 44 5.994 -3.232 17.394 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.142 -5.693 16.883 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.623 -6.170 17.689 1.00 0.00 H new ATOM 764 N LYS A 45 8.035 -3.987 19.026 1.00 0.00 N ATOM 765 CA LYS A 45 9.306 -3.879 19.732 1.00 0.00 C ATOM 766 C LYS A 45 9.599 -5.150 20.523 1.00 0.00 C ATOM 767 O LYS A 45 10.705 -5.335 21.031 1.00 0.00 O ATOM 768 CB LYS A 45 9.289 -2.672 20.673 1.00 0.00 C ATOM 769 CG LYS A 45 8.159 -2.707 21.687 1.00 0.00 C ATOM 770 CD LYS A 45 6.923 -1.990 21.168 1.00 0.00 C ATOM 771 CE LYS A 45 5.721 -2.230 22.069 1.00 0.00 C ATOM 772 NZ LYS A 45 5.258 -3.644 22.012 1.00 0.00 N ATOM 0 H LYS A 45 7.220 -4.065 19.635 1.00 0.00 H new ATOM 0 HA LYS A 45 10.094 -3.744 18.991 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.240 -2.622 21.203 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.206 -1.761 20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.910 -3.742 21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.488 -2.242 22.616 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.122 -0.920 21.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.698 -2.335 20.159 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.980 -1.974 23.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.907 -1.569 21.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.274 -3.674 21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.862 -4.181 21.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.314 -4.066 22.961 1.00 0.00 H new ATOM 786 N ASP A 46 8.603 -6.023 20.621 1.00 0.00 N ATOM 787 CA ASP A 46 8.755 -7.278 21.348 1.00 0.00 C ATOM 788 C ASP A 46 8.857 -8.455 20.383 1.00 0.00 C ATOM 789 O ASP A 46 9.851 -9.183 20.377 1.00 0.00 O ATOM 790 CB ASP A 46 7.577 -7.485 22.302 1.00 0.00 C ATOM 791 CG ASP A 46 7.966 -8.272 23.538 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.036 -9.516 23.451 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.198 -7.645 24.593 1.00 0.00 O ATOM 0 H ASP A 46 7.681 -5.885 20.206 1.00 0.00 H new ATOM 0 HA ASP A 46 9.677 -7.225 21.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.181 -6.515 22.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.777 -8.008 21.779 1.00 0.00 H new ATOM 798 N THR A 47 7.823 -8.638 19.568 1.00 0.00 N ATOM 799 CA THR A 47 7.795 -9.728 18.601 1.00 0.00 C ATOM 800 C THR A 47 8.484 -9.328 17.302 1.00 0.00 C ATOM 801 O THR A 47 8.870 -10.182 16.504 1.00 0.00 O ATOM 802 CB THR A 47 6.352 -10.166 18.289 1.00 0.00 C ATOM 803 OG1 THR A 47 5.630 -9.084 17.691 1.00 0.00 O ATOM 804 CG2 THR A 47 5.638 -10.620 19.554 1.00 0.00 C ATOM 0 H THR A 47 6.993 -8.045 19.559 1.00 0.00 H new ATOM 0 HA THR A 47 8.331 -10.563 19.052 1.00 0.00 H new ATOM 0 HB THR A 47 6.393 -11.004 17.593 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.714 -9.371 17.494 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.621 -10.924 19.308 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.173 -11.463 19.991 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.608 -9.798 20.270 1.00 0.00 H new ATOM 812 N ARG A 48 8.637 -8.024 17.096 1.00 0.00 N ATOM 813 CA ARG A 48 9.280 -7.511 15.892 1.00 0.00 C ATOM 814 C ARG A 48 8.580 -8.028 14.639 1.00 0.00 C ATOM 815 O ARG A 48 9.228 -8.481 13.695 1.00 0.00 O ATOM 816 CB ARG A 48 10.756 -7.911 15.867 1.00 0.00 C ATOM 817 CG ARG A 48 11.671 -6.907 16.549 1.00 0.00 C ATOM 818 CD ARG A 48 13.125 -7.122 16.157 1.00 0.00 C ATOM 819 NE ARG A 48 13.714 -8.267 16.847 1.00 0.00 N ATOM 820 CZ ARG A 48 15.013 -8.542 16.837 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.855 -7.758 16.177 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.473 -9.602 17.489 1.00 0.00 N ATOM 0 H ARG A 48 8.325 -7.304 17.747 1.00 0.00 H new ATOM 0 HA ARG A 48 9.206 -6.424 15.906 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.869 -8.881 16.352 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.073 -8.034 14.831 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.367 -5.895 16.281 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.568 -6.995 17.631 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.191 -7.274 15.080 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.699 -6.225 16.388 1.00 0.00 H new ATOM 0 HE ARG A 48 13.093 -8.889 17.365 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.505 -6.942 15.676 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.852 -7.971 16.171 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.829 -10.207 17.999 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.471 -9.812 17.481 1.00 0.00 H new ATOM 836 N LYS A 49 7.253 -7.959 14.637 1.00 0.00 N ATOM 837 CA LYS A 49 6.464 -8.420 13.501 1.00 0.00 C ATOM 838 C LYS A 49 5.628 -7.282 12.923 1.00 0.00 C ATOM 839 O LYS A 49 5.253 -6.351 13.634 1.00 0.00 O ATOM 840 CB LYS A 49 5.552 -9.574 13.922 1.00 0.00 C ATOM 841 CG LYS A 49 6.297 -10.746 14.536 1.00 0.00 C ATOM 842 CD LYS A 49 7.312 -11.330 13.568 1.00 0.00 C ATOM 843 CE LYS A 49 7.814 -12.687 14.038 1.00 0.00 C ATOM 844 NZ LYS A 49 6.738 -13.716 14.013 1.00 0.00 N ATOM 0 H LYS A 49 6.701 -7.588 15.410 1.00 0.00 H new ATOM 0 HA LYS A 49 7.151 -8.771 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.820 -9.204 14.640 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.997 -9.923 13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.804 -10.420 15.444 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.585 -11.518 14.828 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.860 -11.430 12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.154 -10.645 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.639 -13.009 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.208 -12.598 15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.165 -14.664 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.139 -13.613 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.157 -13.590 13.159 1.00 0.00 H new ATOM 858 N SER A 50 5.339 -7.366 11.628 1.00 0.00 N ATOM 859 CA SER A 50 4.549 -6.342 10.954 1.00 0.00 C ATOM 860 C SER A 50 3.153 -6.246 11.560 1.00 0.00 C ATOM 861 O SER A 50 2.625 -5.152 11.764 1.00 0.00 O ATOM 862 CB SER A 50 4.448 -6.649 9.458 1.00 0.00 C ATOM 863 OG SER A 50 3.484 -5.820 8.832 1.00 0.00 O ATOM 0 H SER A 50 5.640 -8.132 11.025 1.00 0.00 H new ATOM 0 HA SER A 50 5.051 -5.384 11.089 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.420 -6.502 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.180 -7.696 9.316 1.00 0.00 H new ATOM 0 HG SER A 50 3.439 -6.034 7.877 1.00 0.00 H new ATOM 869 N LYS A 51 2.558 -7.399 11.847 1.00 0.00 N ATOM 870 CA LYS A 51 1.224 -7.448 12.432 1.00 0.00 C ATOM 871 C LYS A 51 0.189 -6.866 11.474 1.00 0.00 C ATOM 872 O LYS A 51 -0.867 -6.396 11.896 1.00 0.00 O ATOM 873 CB LYS A 51 1.196 -6.682 13.756 1.00 0.00 C ATOM 874 CG LYS A 51 2.200 -7.193 14.775 1.00 0.00 C ATOM 875 CD LYS A 51 1.945 -6.603 16.153 1.00 0.00 C ATOM 876 CE LYS A 51 0.734 -7.240 16.816 1.00 0.00 C ATOM 877 NZ LYS A 51 1.052 -8.579 17.384 1.00 0.00 N ATOM 0 H LYS A 51 2.980 -8.313 11.683 1.00 0.00 H new ATOM 0 HA LYS A 51 0.975 -8.493 12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.393 -5.628 13.561 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.195 -6.745 14.182 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.145 -8.280 14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.210 -6.940 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.824 -6.749 16.781 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.790 -5.528 16.067 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.369 -6.587 17.609 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.070 -7.337 16.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.200 -8.979 17.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.376 -9.210 16.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.802 -8.484 18.099 1.00 0.00 H new ATOM 891 N GLY A 52 0.498 -6.903 10.182 1.00 0.00 N ATOM 892 CA GLY A 52 -0.416 -6.378 9.185 1.00 0.00 C ATOM 893 C GLY A 52 -0.342 -4.868 9.068 1.00 0.00 C ATOM 894 O GLY A 52 -0.422 -4.318 7.969 1.00 0.00 O ATOM 0 H GLY A 52 1.365 -7.287 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.189 -6.826 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.435 -6.670 9.441 1.00 0.00 H new ATOM 898 N VAL A 53 -0.189 -4.195 10.204 1.00 0.00 N ATOM 899 CA VAL A 53 -0.105 -2.740 10.225 1.00 0.00 C ATOM 900 C VAL A 53 0.965 -2.238 9.262 1.00 0.00 C ATOM 901 O VAL A 53 2.160 -2.409 9.501 1.00 0.00 O ATOM 902 CB VAL A 53 0.206 -2.216 11.639 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.154 -0.743 11.755 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.532 -3.037 12.686 1.00 0.00 C ATOM 0 H VAL A 53 -0.121 -4.635 11.122 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.078 -2.362 9.912 1.00 0.00 H new ATOM 0 HB VAL A 53 1.276 -2.319 11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.073 -0.391 12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.424 -0.169 11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.218 -0.612 11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.300 -2.653 13.679 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.606 -2.968 12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.219 -4.079 12.618 1.00 0.00 H new ATOM 914 N ALA A 54 0.528 -1.616 8.172 1.00 0.00 N ATOM 915 CA ALA A 54 1.448 -1.086 7.173 1.00 0.00 C ATOM 916 C ALA A 54 0.933 0.227 6.594 1.00 0.00 C ATOM 917 O ALA A 54 -0.274 0.421 6.447 1.00 0.00 O ATOM 918 CB ALA A 54 1.667 -2.105 6.064 1.00 0.00 C ATOM 0 H ALA A 54 -0.458 -1.467 7.958 1.00 0.00 H new ATOM 0 HA ALA A 54 2.402 -0.887 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.356 -1.696 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.088 -3.018 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.714 -2.332 5.585 1.00 0.00 H new ATOM 924 N PHE A 55 1.855 1.126 6.267 1.00 0.00 N ATOM 925 CA PHE A 55 1.494 2.422 5.705 1.00 0.00 C ATOM 926 C PHE A 55 1.937 2.527 4.249 1.00 0.00 C ATOM 927 O PHE A 55 3.119 2.382 3.937 1.00 0.00 O ATOM 928 CB PHE A 55 2.125 3.551 6.524 1.00 0.00 C ATOM 929 CG PHE A 55 1.569 3.665 7.915 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.628 2.592 8.789 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.988 4.846 8.348 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.118 2.694 10.069 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.477 4.954 9.627 1.00 0.00 C ATOM 934 CZ PHE A 55 0.541 3.876 10.489 1.00 0.00 C ATOM 0 H PHE A 55 2.858 0.981 6.382 1.00 0.00 H new ATOM 0 HA PHE A 55 0.409 2.516 5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.201 3.388 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.974 4.496 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.078 1.665 8.466 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.934 5.692 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.171 1.850 10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.028 5.880 9.953 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.141 3.958 11.489 1.00 0.00 H new ATOM 944 N ILE A 56 0.980 2.777 3.362 1.00 0.00 N ATOM 945 CA ILE A 56 1.271 2.901 1.939 1.00 0.00 C ATOM 946 C ILE A 56 1.330 4.365 1.516 1.00 0.00 C ATOM 947 O ILE A 56 0.373 5.117 1.705 1.00 0.00 O ATOM 948 CB ILE A 56 0.217 2.173 1.084 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.109 0.707 1.507 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.569 2.279 -0.393 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.396 -0.069 1.333 1.00 0.00 C ATOM 0 H ILE A 56 -0.004 2.898 3.604 1.00 0.00 H new ATOM 0 HA ILE A 56 2.244 2.438 1.774 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.750 2.649 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.195 0.661 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.677 0.226 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.185 1.760 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.600 3.329 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.544 1.825 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.245 -1.100 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.691 -0.054 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.180 0.387 1.937 1.00 0.00 H new ATOM 963 N LEU A 57 2.459 4.763 0.940 1.00 0.00 N ATOM 964 CA LEU A 57 2.644 6.137 0.487 1.00 0.00 C ATOM 965 C LEU A 57 2.291 6.275 -0.991 1.00 0.00 C ATOM 966 O LEU A 57 2.910 5.645 -1.849 1.00 0.00 O ATOM 967 CB LEU A 57 4.088 6.583 0.722 1.00 0.00 C ATOM 968 CG LEU A 57 4.327 8.093 0.753 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.698 8.404 1.334 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.192 8.683 -0.644 1.00 0.00 C ATOM 0 H LEU A 57 3.260 4.154 0.776 1.00 0.00 H new ATOM 0 HA LEU A 57 1.975 6.776 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.428 6.162 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.712 6.152 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 57 3.571 8.548 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.851 9.483 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.759 8.015 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.468 7.937 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.365 9.758 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.925 8.222 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.189 8.491 -1.025 1.00 0.00 H new ATOM 982 N PHE A 58 1.295 7.105 -1.282 1.00 0.00 N ATOM 983 CA PHE A 58 0.861 7.327 -2.656 1.00 0.00 C ATOM 984 C PHE A 58 1.440 8.628 -3.206 1.00 0.00 C ATOM 985 O PHE A 58 1.812 9.525 -2.448 1.00 0.00 O ATOM 986 CB PHE A 58 -0.667 7.364 -2.731 1.00 0.00 C ATOM 987 CG PHE A 58 -1.306 6.011 -2.600 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.464 5.423 -1.355 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.749 5.327 -3.720 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.051 4.178 -1.231 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.337 4.082 -3.603 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.489 3.507 -2.356 1.00 0.00 C ATOM 0 H PHE A 58 0.773 7.635 -0.584 1.00 0.00 H new ATOM 0 HA PHE A 58 1.228 6.500 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.046 8.014 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.966 7.808 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.125 5.944 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.633 5.772 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.167 3.730 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.677 3.559 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.949 2.535 -2.261 1.00 0.00 H new ATOM 1002 N LEU A 59 1.514 8.723 -4.529 1.00 0.00 N ATOM 1003 CA LEU A 59 2.048 9.913 -5.182 1.00 0.00 C ATOM 1004 C LEU A 59 1.197 11.138 -4.861 1.00 0.00 C ATOM 1005 O LEU A 59 1.715 12.170 -4.433 1.00 0.00 O ATOM 1006 CB LEU A 59 2.110 9.704 -6.696 1.00 0.00 C ATOM 1007 CG LEU A 59 2.862 10.771 -7.491 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.346 10.736 -7.160 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.642 10.578 -8.984 1.00 0.00 C ATOM 0 H LEU A 59 1.211 7.990 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 59 3.056 10.084 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.577 8.738 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.090 9.647 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 59 2.471 11.749 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.865 11.502 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.486 10.924 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.752 9.756 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.185 11.347 -9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.005 9.594 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.578 10.655 -9.208 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.109 11.016 -5.068 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.032 12.112 -4.797 1.00 0.00 C ATOM 1023 C ASP A 60 -2.077 11.700 -3.765 1.00 0.00 C ATOM 1024 O ASP A 60 -2.622 10.597 -3.823 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.720 12.558 -6.088 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.910 13.460 -5.828 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.982 14.044 -4.727 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.771 13.581 -6.725 1.00 0.00 O ATOM 0 H ASP A 60 -0.553 10.169 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.458 12.946 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.001 13.083 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.048 11.680 -6.644 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.352 12.592 -2.820 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.332 12.323 -1.774 1.00 0.00 C ATOM 1035 C LYS A 61 -4.684 11.958 -2.377 1.00 0.00 C ATOM 1036 O LYS A 61 -5.448 11.190 -1.792 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.481 13.542 -0.861 1.00 0.00 C ATOM 1038 CG LYS A 61 -3.898 14.805 -1.595 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.717 15.724 -0.704 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.121 15.181 -0.484 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.033 16.215 0.079 1.00 0.00 N ATOM 0 H LYS A 61 -1.910 13.509 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.976 11.477 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.219 13.320 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.534 13.723 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.011 15.333 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.480 14.539 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.216 15.842 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.775 16.714 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.523 14.819 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.078 14.327 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.980 15.806 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.663 16.543 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.094 17.019 -0.578 1.00 0.00 H new ATOM 1055 N ASP A 62 -4.973 12.511 -3.550 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.233 12.241 -4.233 1.00 0.00 C ATOM 1057 C ASP A 62 -6.425 10.742 -4.446 1.00 0.00 C ATOM 1058 O ASP A 62 -7.360 10.144 -3.914 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.275 12.969 -5.578 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.685 13.349 -5.986 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.250 14.279 -5.374 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.222 12.716 -6.919 1.00 0.00 O ATOM 0 H ASP A 62 -4.352 13.149 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.045 12.608 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.662 13.868 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.836 12.332 -6.346 1.00 0.00 H new ATOM 1067 N SER A 63 -5.534 10.142 -5.229 1.00 0.00 N ATOM 1068 CA SER A 63 -5.608 8.714 -5.517 1.00 0.00 C ATOM 1069 C SER A 63 -5.716 7.905 -4.228 1.00 0.00 C ATOM 1070 O SER A 63 -6.533 6.991 -4.122 1.00 0.00 O ATOM 1071 CB SER A 63 -4.379 8.268 -6.311 1.00 0.00 C ATOM 1072 OG SER A 63 -4.499 8.623 -7.678 1.00 0.00 O ATOM 0 H SER A 63 -4.753 10.622 -5.675 1.00 0.00 H new ATOM 0 HA SER A 63 -6.502 8.535 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.484 8.726 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.256 7.189 -6.222 1.00 0.00 H new ATOM 0 HG SER A 63 -3.700 8.329 -8.164 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.885 8.249 -3.249 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.888 7.557 -1.966 1.00 0.00 C ATOM 1080 C ALA A 64 -6.308 7.381 -1.440 1.00 0.00 C ATOM 1081 O ALA A 64 -6.778 6.258 -1.262 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.039 8.316 -0.956 1.00 0.00 C ATOM 0 H ALA A 64 -4.201 9.003 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.459 6.566 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.050 7.789 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.014 8.385 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.444 9.319 -0.821 1.00 0.00 H new ATOM 1088 N GLN A 65 -6.986 8.498 -1.194 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.352 8.465 -0.687 1.00 0.00 C ATOM 1090 C GLN A 65 -9.151 7.345 -1.346 1.00 0.00 C ATOM 1091 O GLN A 65 -9.739 6.506 -0.665 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.041 9.809 -0.929 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.524 10.927 -0.037 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.162 10.919 1.338 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.754 9.923 1.755 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.045 12.033 2.052 1.00 0.00 N ATOM 0 H GLN A 65 -6.611 9.436 -1.338 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.310 8.274 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.905 10.095 -1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.113 9.693 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.443 10.833 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.715 11.887 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.546 12.835 1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.454 12.086 2.985 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.167 7.340 -2.675 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.895 6.324 -3.426 1.00 0.00 C ATOM 1107 C ASN A 66 -9.673 4.939 -2.824 1.00 0.00 C ATOM 1108 O ASN A 66 -10.627 4.243 -2.474 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.455 6.331 -4.891 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.200 5.305 -5.724 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.876 4.426 -5.187 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.080 5.412 -7.042 1.00 0.00 N ATOM 0 H ASN A 66 -8.684 8.028 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.958 6.559 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.617 7.323 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.385 6.132 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.558 4.750 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.509 6.156 -7.443 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.410 4.547 -2.705 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.062 3.246 -2.145 1.00 0.00 C ATOM 1121 C CYS A 67 -8.569 3.118 -0.712 1.00 0.00 C ATOM 1122 O CYS A 67 -9.070 2.067 -0.311 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.548 3.039 -2.183 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.988 1.529 -1.361 1.00 0.00 S ATOM 0 H CYS A 67 -7.609 5.112 -2.989 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.541 2.477 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.221 3.016 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.063 3.896 -1.715 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.099 0.524 -2.177 1.00 0.00 H new ATOM 1130 N THR A 68 -8.434 4.194 0.056 1.00 0.00 N ATOM 1131 CA THR A 68 -8.876 4.202 1.445 1.00 0.00 C ATOM 1132 C THR A 68 -10.349 3.826 1.556 1.00 0.00 C ATOM 1133 O THR A 68 -10.847 3.545 2.646 1.00 0.00 O ATOM 1134 CB THR A 68 -8.659 5.581 2.096 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.357 6.078 1.767 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.808 5.495 3.608 1.00 0.00 C ATOM 0 H THR A 68 -8.022 5.072 -0.260 1.00 0.00 H new ATOM 0 HA THR A 68 -8.274 3.461 1.972 1.00 0.00 H new ATOM 0 HB THR A 68 -9.416 6.264 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.753 5.325 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.650 6.481 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.810 5.144 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.071 4.799 4.007 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.041 3.823 0.421 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.458 3.482 0.392 1.00 0.00 C ATOM 1146 C ARG A 69 -12.684 2.157 -0.332 1.00 0.00 C ATOM 1147 O ARG A 69 -13.611 1.414 -0.012 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.258 4.592 -0.293 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.672 4.181 -0.668 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.152 4.911 -1.914 1.00 0.00 C ATOM 1151 NE ARG A 69 -15.891 6.127 -1.585 1.00 0.00 N ATOM 1152 CZ ARG A 69 -16.699 6.748 -2.436 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.872 6.269 -3.660 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -17.337 7.850 -2.063 1.00 0.00 N ATOM 0 H ARG A 69 -10.643 4.053 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.802 3.378 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.304 5.457 0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.730 4.907 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.706 3.105 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.346 4.393 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.295 5.165 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.788 4.248 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.780 6.521 -0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.384 5.422 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.493 6.748 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.207 8.221 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.958 8.326 -2.718 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.830 1.870 -1.309 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.935 0.636 -2.077 1.00 0.00 C ATOM 1170 C ALA A 70 -11.664 -0.581 -1.199 1.00 0.00 C ATOM 1171 O ALA A 70 -12.420 -1.553 -1.218 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.973 0.664 -3.256 1.00 0.00 C ATOM 0 H ALA A 70 -11.058 2.476 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.954 0.558 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.062 -0.264 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.215 1.507 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.952 0.769 -2.890 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.580 -0.522 -0.432 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.210 -1.620 0.452 1.00 0.00 C ATOM 1180 C ILE A 71 -10.915 -1.502 1.799 1.00 0.00 C ATOM 1181 O ILE A 71 -11.192 -2.504 2.456 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.688 -1.668 0.684 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.243 -0.482 1.542 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.950 -1.673 -0.647 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.786 -0.539 1.942 1.00 0.00 C ATOM 0 H ILE A 71 -9.943 0.274 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.523 -2.541 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.445 -2.588 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.425 0.442 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.857 -0.444 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.875 -1.707 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.249 -2.547 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.196 -0.768 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.541 0.333 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.602 -1.445 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.163 -0.546 1.048 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.203 -0.269 2.204 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.876 -0.019 3.473 1.00 0.00 C ATOM 1199 C ASN A 72 -13.194 -0.784 3.550 1.00 0.00 C ATOM 1200 O ASN A 72 -14.036 -0.681 2.659 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.132 1.479 3.652 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.318 1.759 4.556 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.449 1.382 4.249 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.063 2.423 5.677 1.00 0.00 N ATOM 0 H ASN A 72 -10.981 0.572 1.672 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.226 -0.368 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.242 1.950 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.306 1.934 2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.820 2.640 6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.110 2.716 5.891 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.365 -1.552 4.621 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.580 -2.335 4.814 1.00 0.00 C ATOM 1213 C ASN A 73 -14.696 -3.429 3.757 1.00 0.00 C ATOM 1214 O ASN A 73 -15.753 -3.615 3.153 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.810 -1.427 4.762 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.998 -2.021 5.494 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.849 -2.936 6.304 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -18.187 -1.501 5.212 1.00 0.00 N ATOM 0 H ASN A 73 -12.678 -1.649 5.368 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.526 -2.807 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.563 -0.460 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.081 -1.246 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.023 -1.859 5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.264 -0.743 4.534 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.603 -4.151 3.537 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.580 -5.228 2.555 1.00 0.00 C ATOM 1227 C LYS A 74 -12.627 -6.338 2.986 1.00 0.00 C ATOM 1228 O LYS A 74 -11.658 -6.092 3.703 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.164 -4.688 1.185 1.00 0.00 C ATOM 1230 CG LYS A 74 -14.287 -3.984 0.442 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.306 -4.974 -0.096 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.846 -5.588 -1.410 1.00 0.00 C ATOM 1233 NZ LYS A 74 -14.011 -6.801 -1.193 1.00 0.00 N ATOM 0 H LYS A 74 -12.720 -4.009 4.027 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.585 -5.643 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.334 -3.994 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.797 -5.513 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.781 -3.279 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.872 -3.404 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.471 -5.763 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.262 -4.471 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.716 -5.849 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.276 -4.851 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.370 -7.579 -1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.026 -6.595 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.053 -7.077 -0.191 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.909 -7.559 2.543 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.076 -8.706 2.884 1.00 0.00 C ATOM 1249 C GLN A 75 -11.058 -8.985 1.782 1.00 0.00 C ATOM 1250 O GLN A 75 -11.425 -9.282 0.644 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.945 -9.943 3.117 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.794 -9.862 4.376 1.00 0.00 C ATOM 1253 CD GLN A 75 -14.853 -10.945 4.436 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.296 -11.454 3.406 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.265 -11.303 5.647 1.00 0.00 N ATOM 0 H GLN A 75 -13.707 -7.779 1.948 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.537 -8.472 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.599 -10.085 2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.303 -10.822 3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.148 -9.941 5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.275 -8.885 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.870 -10.854 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.976 -12.027 5.750 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.779 -8.889 2.128 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.707 -9.131 1.168 1.00 0.00 C ATOM 1266 C LEU A 76 -7.712 -10.152 1.710 1.00 0.00 C ATOM 1267 O LEU A 76 -7.256 -10.047 2.848 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.985 -7.823 0.840 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.750 -6.838 -0.046 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.783 -6.077 0.771 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.788 -5.874 -0.724 1.00 0.00 C ATOM 0 H LEU A 76 -9.459 -8.646 3.065 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.151 -9.532 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.738 -7.323 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.042 -8.065 0.350 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.272 -7.403 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.317 -5.381 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.490 -6.781 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.283 -5.523 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.349 -5.180 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.238 -5.315 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.086 -6.434 -1.342 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.378 -11.140 0.885 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.436 -12.180 1.281 1.00 0.00 C ATOM 1285 C PHE A 77 -6.916 -12.899 2.538 1.00 0.00 C ATOM 1286 O PHE A 77 -6.114 -13.307 3.377 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.050 -11.577 1.522 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.379 -11.097 0.267 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.992 -10.158 -0.547 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.134 -11.584 -0.098 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.376 -9.715 -1.702 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.513 -11.145 -1.252 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.135 -10.208 -2.055 1.00 0.00 C ATOM 0 H PHE A 77 -7.746 -11.242 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.373 -12.906 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.141 -10.743 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.416 -12.323 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.962 -9.768 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.643 -12.315 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.865 -8.984 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.543 -11.534 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.652 -9.862 -2.957 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.231 -13.051 2.660 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.797 -13.720 3.817 1.00 0.00 C ATOM 1305 C GLY A 78 -8.504 -12.987 5.111 1.00 0.00 C ATOM 1306 O GLY A 78 -8.017 -13.581 6.072 1.00 0.00 O ATOM 0 H GLY A 78 -8.915 -12.723 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.876 -13.809 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.399 -14.733 3.878 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.802 -11.692 5.136 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.565 -10.876 6.320 1.00 0.00 C ATOM 1312 C ARG A 79 -9.126 -9.469 6.133 1.00 0.00 C ATOM 1313 O ARG A 79 -8.690 -8.728 5.251 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.068 -10.803 6.625 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.197 -10.717 5.382 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.816 -11.304 5.628 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.044 -10.509 6.580 1.00 0.00 N ATOM 1318 CZ ARG A 79 -2.993 -10.975 7.245 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.590 -12.225 7.063 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -2.343 -10.190 8.094 1.00 0.00 N ATOM 0 H ARG A 79 -9.208 -11.186 4.349 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.078 -11.344 7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.876 -9.934 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.780 -11.683 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.679 -11.249 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.101 -9.676 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.917 -12.322 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.275 -11.365 4.684 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.328 -9.543 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.087 -12.831 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.783 -12.580 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.650 -9.228 8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.536 -10.549 8.604 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.095 -9.108 6.967 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.715 -7.790 6.894 1.00 0.00 C ATOM 1336 C VAL A 80 -9.668 -6.685 6.977 1.00 0.00 C ATOM 1337 O VAL A 80 -9.123 -6.412 8.047 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.746 -7.591 8.021 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.374 -6.209 7.932 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.812 -8.675 7.964 1.00 0.00 C ATOM 0 H VAL A 80 -10.468 -9.709 7.701 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.224 -7.733 5.932 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.232 -7.669 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.100 -6.087 8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.597 -5.450 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.876 -6.099 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.532 -8.519 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.325 -8.631 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.344 -9.652 8.081 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.393 -6.051 5.842 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.413 -4.974 5.787 1.00 0.00 C ATOM 1352 C ILE A 81 -9.069 -3.620 6.036 1.00 0.00 C ATOM 1353 O ILE A 81 -10.023 -3.246 5.355 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.690 -4.940 4.428 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.990 -6.274 4.163 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.690 -3.794 4.389 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.897 -6.187 3.122 1.00 0.00 C ATOM 0 H ILE A 81 -9.835 -6.265 4.948 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.683 -5.171 6.572 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.430 -4.778 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.563 -6.643 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.731 -7.006 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.187 -3.783 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.213 -2.849 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.952 -3.928 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.445 -7.170 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.321 -5.849 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.136 -5.480 3.452 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.550 -2.889 7.016 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.082 -1.574 7.355 1.00 0.00 C ATOM 1371 C LYS A 82 -8.147 -0.469 6.875 1.00 0.00 C ATOM 1372 O LYS A 82 -6.949 -0.489 7.159 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.291 -1.459 8.866 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.559 -2.135 9.358 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.497 -3.642 9.173 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.473 -4.275 10.102 1.00 0.00 C ATOM 1377 NZ LYS A 82 -9.857 -5.661 10.487 1.00 0.00 N ATOM 0 H LYS A 82 -7.761 -3.185 7.590 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.042 -1.458 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.434 -1.897 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.321 -0.405 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.710 -1.903 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.418 -1.736 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.479 -4.074 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.243 -3.873 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.499 -4.290 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.370 -3.664 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.350 -5.934 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.882 -5.702 10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.608 -6.316 9.719 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.702 0.495 6.148 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.918 1.611 5.632 1.00 0.00 C ATOM 1393 C ALA A 83 -8.412 2.937 6.199 1.00 0.00 C ATOM 1394 O ALA A 83 -9.610 3.128 6.404 1.00 0.00 O ATOM 1395 CB ALA A 83 -7.968 1.633 4.111 1.00 0.00 C ATOM 0 H ALA A 83 -9.692 0.526 5.903 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.884 1.473 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.378 2.471 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.560 0.701 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.002 1.743 3.782 1.00 0.00 H new ATOM 1401 N SER A 84 -7.480 3.851 6.451 1.00 0.00 N ATOM 1402 CA SER A 84 -7.821 5.159 6.999 1.00 0.00 C ATOM 1403 C SER A 84 -6.707 6.167 6.732 1.00 0.00 C ATOM 1404 O SER A 84 -5.524 5.849 6.861 1.00 0.00 O ATOM 1405 CB SER A 84 -8.080 5.054 8.503 1.00 0.00 C ATOM 1406 OG SER A 84 -6.947 4.536 9.180 1.00 0.00 O ATOM 0 H SER A 84 -6.484 3.710 6.285 1.00 0.00 H new ATOM 0 HA SER A 84 -8.728 5.507 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.328 6.037 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.941 4.410 8.683 1.00 0.00 H new ATOM 0 HG SER A 84 -7.137 4.480 10.140 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.094 7.382 6.360 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.128 8.437 6.076 1.00 0.00 C ATOM 1414 C ILE A 85 -5.408 8.879 7.345 1.00 0.00 C ATOM 1415 O ILE A 85 -5.988 9.550 8.198 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.805 9.661 5.430 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.697 9.223 4.267 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.758 10.657 4.956 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.945 8.509 3.165 1.00 0.00 C ATOM 0 H ILE A 85 -8.069 7.661 6.248 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.403 8.021 5.376 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.429 10.149 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.479 8.566 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.192 10.100 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.252 11.516 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.161 10.989 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.110 10.181 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.640 8.227 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.181 9.171 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.472 7.614 3.568 1.00 0.00 H new ATOM 1431 N ALA A 86 -4.140 8.500 7.462 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.339 8.861 8.625 1.00 0.00 C ATOM 1433 C ALA A 86 -3.133 10.370 8.704 1.00 0.00 C ATOM 1434 O ALA A 86 -2.400 10.948 7.901 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.997 8.145 8.584 1.00 0.00 C ATOM 0 H ALA A 86 -3.645 7.943 6.765 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.879 8.548 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.409 8.424 9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.159 7.067 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.460 8.430 7.680 1.00 0.00 H new ATOM 1441 N ILE A 87 -3.786 11.001 9.674 1.00 0.00 N ATOM 1442 CA ILE A 87 -3.674 12.443 9.856 1.00 0.00 C ATOM 1443 C ILE A 87 -3.552 12.803 11.333 1.00 0.00 C ATOM 1444 O ILE A 87 -4.137 12.145 12.194 1.00 0.00 O ATOM 1445 CB ILE A 87 -4.885 13.182 9.258 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -6.188 12.603 9.812 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -4.863 13.093 7.739 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -6.655 13.275 11.085 1.00 0.00 C ATOM 0 H ILE A 87 -4.398 10.537 10.345 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.772 12.758 9.332 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.827 14.233 9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.967 12.694 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.051 11.538 10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.725 13.620 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.947 13.548 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.900 12.047 7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.584 12.814 11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.894 13.161 11.857 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.824 14.335 10.896 1.00 0.00 H new TER 1460 ILE A 87