USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 12 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.3) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= -11! C(o=-24!,f=-28!) USER MOD Set 2.2: A 29 GLN : amide:sc= -5.37! C(o=-24!,f=-20!) USER MOD Set 2.3: A 35 HIS : no HD1:sc= -0.99 K(o=-24,f=-32!) USER MOD Set 2.4: A 83 MET CE :methyl 142:sc= -6.24! (180deg=-6.45!) USER MOD Set 3.1: A 25 CYS SG : rot 21:sc= 0.788 USER MOD Set 3.2: A 85 THR OG1 : rot -12:sc= -0.166! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 26 GLN : amide:sc= -5.26! C(o=-5.3!,f=-16!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.283 USER MOD Single : A 49 ASN : amide:sc= -2.44! C(o=-2.4!,f=-5.2!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= -0.333 (180deg=-1.54!) USER MOD Single : A 67 ASN : amide:sc= -10.8! C(o=-11!,f=-4.1!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 73 SER OG : rot 31:sc= 0.078 USER MOD Single : A 74 CYS SG : rot -83:sc= 0.182 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.077 5.474 -1.602 1.00 0.00 N ATOM 28 CA LYS A 3 56.897 6.671 -1.427 1.00 0.00 C ATOM 29 C LYS A 3 58.354 6.290 -1.256 1.00 0.00 C ATOM 30 O LYS A 3 58.690 5.483 -0.389 1.00 0.00 O ATOM 31 CB LYS A 3 56.453 7.441 -0.185 1.00 0.00 C ATOM 32 CG LYS A 3 57.143 8.803 -0.142 1.00 0.00 C ATOM 33 CD LYS A 3 56.597 9.598 1.039 1.00 0.00 C ATOM 34 CE LYS A 3 57.162 11.012 0.992 1.00 0.00 C ATOM 35 NZ LYS A 3 56.563 11.820 2.089 1.00 0.00 N1+ ATOM 0 HA LYS A 3 56.777 7.294 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.371 7.572 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.696 6.872 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.221 8.676 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.969 9.343 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.508 9.627 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.871 9.115 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.247 10.986 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.945 11.470 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.948 12.786 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.530 11.855 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.792 11.385 3.005 1.00 0.00 H new ATOM 49 N ASN A 4 59.219 6.886 -2.069 1.00 0.00 N ATOM 50 CA ASN A 4 60.649 6.620 -1.991 1.00 0.00 C ATOM 51 C ASN A 4 61.406 7.908 -2.281 1.00 0.00 C ATOM 52 O ASN A 4 61.382 8.402 -3.409 1.00 0.00 O ATOM 53 CB ASN A 4 61.006 5.523 -2.993 1.00 0.00 C ATOM 54 CG ASN A 4 62.469 5.120 -2.874 1.00 0.00 C ATOM 55 OD1 ASN A 4 62.980 4.952 -1.767 1.00 0.00 O ATOM 56 ND2 ASN A 4 63.173 4.943 -3.959 1.00 0.00 N ATOM 0 H ASN A 4 58.954 7.557 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 4 60.927 6.276 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 4 60.372 4.653 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.804 5.873 -4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 4 64.152 4.664 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 4 62.744 5.084 -4.874 1.00 0.00 H new ATOM 63 N THR A 5 62.057 8.475 -1.253 1.00 0.00 N ATOM 64 CA THR A 5 62.788 9.735 -1.431 1.00 0.00 C ATOM 65 C THR A 5 64.045 9.804 -0.542 1.00 0.00 C ATOM 66 O THR A 5 63.949 9.880 0.684 1.00 0.00 O ATOM 67 CB THR A 5 61.858 10.907 -1.107 1.00 0.00 C ATOM 68 OG1 THR A 5 60.708 10.847 -1.945 1.00 0.00 O ATOM 69 CG2 THR A 5 62.602 12.212 -1.360 1.00 0.00 C ATOM 0 H THR A 5 62.092 8.089 -0.309 1.00 0.00 H new ATOM 0 HA THR A 5 63.119 9.790 -2.468 1.00 0.00 H new ATOM 0 HB THR A 5 61.547 10.854 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.112 11.596 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.948 13.054 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.486 12.256 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.905 12.261 -2.406 1.00 0.00 H new ATOM 77 N VAL A 6 65.221 9.768 -1.176 1.00 0.00 N ATOM 78 CA VAL A 6 66.492 9.813 -0.435 1.00 0.00 C ATOM 79 C VAL A 6 66.696 11.157 0.251 1.00 0.00 C ATOM 80 O VAL A 6 66.534 12.217 -0.357 1.00 0.00 O ATOM 81 CB VAL A 6 67.685 9.579 -1.373 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.813 10.763 -2.339 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.971 9.467 -0.541 1.00 0.00 C ATOM 0 H VAL A 6 65.323 9.709 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 6 66.438 9.023 0.314 1.00 0.00 H new ATOM 0 HB VAL A 6 67.530 8.659 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.659 10.599 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.900 10.853 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.971 11.680 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.820 9.301 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.123 10.389 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.884 8.631 0.153 1.00 0.00 H new ATOM 93 N VAL A 7 67.087 11.097 1.515 1.00 0.00 N ATOM 94 CA VAL A 7 67.352 12.295 2.300 1.00 0.00 C ATOM 95 C VAL A 7 68.845 12.617 2.269 1.00 0.00 C ATOM 96 O VAL A 7 69.240 13.776 2.141 1.00 0.00 O ATOM 97 CB VAL A 7 66.908 12.062 3.740 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.194 13.307 4.582 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.408 11.762 3.749 1.00 0.00 C ATOM 0 H VAL A 7 67.229 10.224 2.023 1.00 0.00 H new ATOM 0 HA VAL A 7 66.799 13.134 1.877 1.00 0.00 H new ATOM 0 HB VAL A 7 67.457 11.221 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.874 13.133 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.263 13.519 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.649 14.157 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.077 11.593 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.865 12.608 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.212 10.871 3.153 1.00 0.00 H new ATOM 109 N ARG A 8 69.664 11.567 2.376 1.00 0.00 N ATOM 110 CA ARG A 8 71.119 11.698 2.351 1.00 0.00 C ATOM 111 C ARG A 8 71.713 10.569 1.516 1.00 0.00 C ATOM 112 O ARG A 8 71.390 9.399 1.716 1.00 0.00 O ATOM 113 CB ARG A 8 71.680 11.668 3.797 1.00 0.00 C ATOM 114 CG ARG A 8 73.067 10.986 3.847 1.00 0.00 C ATOM 115 CD ARG A 8 73.687 11.158 5.236 1.00 0.00 C ATOM 116 NE ARG A 8 73.948 12.560 5.495 1.00 0.00 N ATOM 117 CZ ARG A 8 74.877 13.206 4.814 1.00 0.00 C ATOM 118 NH1 ARG A 8 76.139 12.993 5.071 1.00 0.00 N ATOM 119 NH2 ARG A 8 74.525 14.027 3.867 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.336 10.607 2.482 1.00 0.00 H new ATOM 0 HA ARG A 8 71.394 12.652 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.759 12.685 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.987 11.135 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 8 72.969 9.926 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.722 11.420 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.014 10.759 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.615 10.589 5.302 1.00 0.00 H new ATOM 0 HE ARG A 8 73.410 13.051 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 8 76.407 12.328 5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.858 13.491 4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.537 14.168 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 8 75.237 14.529 3.337 1.00 0.00 H new ATOM 133 N GLY A 9 72.601 10.928 0.603 1.00 0.00 N ATOM 134 CA GLY A 9 73.263 9.950 -0.243 1.00 0.00 C ATOM 135 C GLY A 9 74.659 9.636 0.291 1.00 0.00 C ATOM 136 O GLY A 9 75.110 10.238 1.265 1.00 0.00 O ATOM 0 H GLY A 9 72.880 11.893 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.670 9.037 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.334 10.331 -1.262 1.00 0.00 H new ATOM 140 N LEU A 10 75.338 8.696 -0.353 1.00 0.00 N ATOM 141 CA LEU A 10 76.679 8.313 0.060 1.00 0.00 C ATOM 142 C LEU A 10 77.667 9.414 -0.289 1.00 0.00 C ATOM 143 O LEU A 10 77.517 10.098 -1.301 1.00 0.00 O ATOM 144 CB LEU A 10 77.065 7.018 -0.646 1.00 0.00 C ATOM 145 CG LEU A 10 76.063 5.925 -0.273 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.406 4.651 -1.048 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.104 5.641 1.243 1.00 0.00 C ATOM 0 H LEU A 10 74.982 8.186 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 10 76.700 8.160 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.074 7.167 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.072 6.719 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 10 75.058 6.260 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.697 3.865 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.351 4.850 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.415 4.329 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.383 4.860 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.104 5.312 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.853 6.550 1.790 1.00 0.00 H new ATOM 159 N GLU A 11 78.674 9.597 0.565 1.00 0.00 N ATOM 160 CA GLU A 11 79.676 10.637 0.352 1.00 0.00 C ATOM 161 C GLU A 11 81.087 10.074 0.479 1.00 0.00 C ATOM 162 O GLU A 11 81.324 9.095 1.189 1.00 0.00 O ATOM 163 CB GLU A 11 79.460 11.755 1.372 1.00 0.00 C ATOM 164 CG GLU A 11 79.578 11.187 2.792 1.00 0.00 C ATOM 165 CD GLU A 11 79.291 12.277 3.821 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.827 13.362 3.671 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 78.541 12.008 4.743 1.00 0.00 O ATOM 0 H GLU A 11 78.816 9.040 1.408 1.00 0.00 H new ATOM 0 HA GLU A 11 79.566 11.032 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.197 12.544 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.478 12.205 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.878 10.362 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.578 10.784 2.948 1.00 0.00 H new ATOM 174 N ASN A 12 82.014 10.706 -0.238 1.00 0.00 N ATOM 175 CA ASN A 12 83.414 10.281 -0.238 1.00 0.00 C ATOM 176 C ASN A 12 83.834 9.793 1.150 1.00 0.00 C ATOM 177 O ASN A 12 83.276 10.215 2.163 1.00 0.00 O ATOM 178 CB ASN A 12 84.314 11.440 -0.678 1.00 0.00 C ATOM 179 CG ASN A 12 85.771 10.989 -0.696 1.00 0.00 C ATOM 180 OD1 ASN A 12 86.441 11.010 0.336 1.00 0.00 O ATOM 181 ND2 ASN A 12 86.304 10.579 -1.813 1.00 0.00 N ATOM 0 H ASN A 12 81.821 11.516 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 12 83.522 9.455 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 12 84.019 11.785 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.194 12.283 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 12 87.277 10.275 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.747 10.562 -2.668 1.00 0.00 H new ATOM 188 N VAL A 13 84.825 8.899 1.191 1.00 0.00 N ATOM 189 CA VAL A 13 85.317 8.361 2.468 1.00 0.00 C ATOM 190 C VAL A 13 86.850 8.326 2.478 1.00 0.00 C ATOM 191 O VAL A 13 87.474 7.909 1.504 1.00 0.00 O ATOM 192 CB VAL A 13 84.748 6.952 2.692 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.418 6.312 3.913 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.232 7.033 2.934 1.00 0.00 C ATOM 0 H VAL A 13 85.300 8.534 0.366 1.00 0.00 H new ATOM 0 HA VAL A 13 84.984 9.010 3.278 1.00 0.00 H new ATOM 0 HB VAL A 13 84.944 6.347 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.012 5.313 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.493 6.245 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.226 6.923 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.835 6.030 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.036 7.644 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.749 7.482 2.066 1.00 0.00 H new ATOM 204 N GLU A 14 87.450 8.772 3.588 1.00 0.00 N ATOM 205 CA GLU A 14 88.917 8.797 3.724 1.00 0.00 C ATOM 206 C GLU A 14 89.385 7.902 4.881 1.00 0.00 C ATOM 207 O GLU A 14 88.948 8.068 6.022 1.00 0.00 O ATOM 208 CB GLU A 14 89.384 10.240 3.976 1.00 0.00 C ATOM 209 CG GLU A 14 89.131 11.103 2.729 1.00 0.00 C ATOM 210 CD GLU A 14 89.551 12.546 2.997 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.258 12.767 3.966 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 89.174 13.408 2.218 1.00 0.00 O ATOM 0 H GLU A 14 86.947 9.120 4.404 1.00 0.00 H new ATOM 0 HA GLU A 14 89.351 8.417 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.853 10.658 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.445 10.249 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.689 10.705 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 14 88.075 11.067 2.460 1.00 0.00 H new ATOM 219 N ALA A 15 90.285 6.955 4.580 1.00 0.00 N ATOM 220 CA ALA A 15 90.809 6.046 5.609 1.00 0.00 C ATOM 221 C ALA A 15 92.189 5.506 5.222 1.00 0.00 C ATOM 222 O ALA A 15 92.452 5.214 4.052 1.00 0.00 O ATOM 223 CB ALA A 15 89.845 4.875 5.810 1.00 0.00 C ATOM 0 H ALA A 15 90.661 6.799 3.645 1.00 0.00 H new ATOM 0 HA ALA A 15 90.906 6.610 6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.240 4.206 6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.873 5.254 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.734 4.330 4.873 1.00 0.00 H new ATOM 229 N LEU A 16 93.067 5.387 6.219 1.00 0.00 N ATOM 230 CA LEU A 16 94.426 4.894 6.003 1.00 0.00 C ATOM 231 C LEU A 16 94.452 3.375 5.901 1.00 0.00 C ATOM 232 O LEU A 16 93.477 2.696 6.223 1.00 0.00 O ATOM 233 CB LEU A 16 95.327 5.341 7.169 1.00 0.00 C ATOM 234 CG LEU A 16 95.679 6.838 7.029 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.971 7.442 8.414 1.00 0.00 C ATOM 236 CD2 LEU A 16 96.918 7.011 6.127 1.00 0.00 C ATOM 0 H LEU A 16 92.859 5.627 7.188 1.00 0.00 H new ATOM 0 HA LEU A 16 94.793 5.309 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.819 5.167 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.240 4.745 7.182 1.00 0.00 H new ATOM 0 HG LEU A 16 94.831 7.353 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 16 96.218 8.498 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.091 7.339 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.811 6.918 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.157 8.071 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 16 97.765 6.485 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 96.709 6.600 5.139 1.00 0.00 H new ATOM 248 N GLU A 17 95.594 2.860 5.453 1.00 0.00 N ATOM 249 CA GLU A 17 95.799 1.413 5.301 1.00 0.00 C ATOM 250 C GLU A 17 95.080 0.627 6.400 1.00 0.00 C ATOM 251 O GLU A 17 94.944 1.103 7.526 1.00 0.00 O ATOM 252 CB GLU A 17 97.308 1.104 5.337 1.00 0.00 C ATOM 253 CG GLU A 17 97.855 1.249 6.765 1.00 0.00 C ATOM 254 CD GLU A 17 99.380 1.178 6.744 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.904 0.109 6.464 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 100.002 2.194 7.013 1.00 0.00 O ATOM 0 H GLU A 17 96.400 3.424 5.186 1.00 0.00 H new ATOM 0 HA GLU A 17 95.379 1.106 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.486 0.092 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.839 1.780 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.532 2.198 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.454 0.459 7.400 1.00 0.00 H new ATOM 263 N GLY A 18 94.626 -0.584 6.059 1.00 0.00 N ATOM 264 CA GLY A 18 93.926 -1.439 7.017 1.00 0.00 C ATOM 265 C GLY A 18 93.016 -0.621 7.920 1.00 0.00 C ATOM 266 O GLY A 18 92.823 -0.953 9.090 1.00 0.00 O ATOM 0 H GLY A 18 94.731 -0.991 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.337 -2.184 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.652 -1.981 7.623 1.00 0.00 H new ATOM 270 N GLY A 19 92.476 0.466 7.377 1.00 0.00 N ATOM 271 CA GLY A 19 91.603 1.345 8.144 1.00 0.00 C ATOM 272 C GLY A 19 90.165 0.845 8.149 1.00 0.00 C ATOM 273 O GLY A 19 89.894 -0.316 7.837 1.00 0.00 O ATOM 0 H GLY A 19 92.628 0.758 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.967 1.416 9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.638 2.350 7.723 1.00 0.00 H new ATOM 277 N GLU A 20 89.246 1.732 8.526 1.00 0.00 N ATOM 278 CA GLU A 20 87.822 1.399 8.598 1.00 0.00 C ATOM 279 C GLU A 20 87.002 2.418 7.803 1.00 0.00 C ATOM 280 O GLU A 20 87.250 3.621 7.892 1.00 0.00 O ATOM 281 CB GLU A 20 87.394 1.424 10.076 1.00 0.00 C ATOM 282 CG GLU A 20 85.981 0.855 10.248 1.00 0.00 C ATOM 283 CD GLU A 20 86.015 -0.660 10.142 1.00 0.00 C ATOM 284 OE1 GLU A 20 87.085 -1.210 10.315 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 84.972 -1.244 9.903 1.00 0.00 O ATOM 0 H GLU A 20 89.463 2.694 8.788 1.00 0.00 H new ATOM 0 HA GLU A 20 87.650 0.411 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.099 0.844 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.426 2.447 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.576 1.151 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.319 1.266 9.486 1.00 0.00 H new ATOM 292 N ALA A 21 86.034 1.934 7.014 1.00 0.00 N ATOM 293 CA ALA A 21 85.188 2.821 6.200 1.00 0.00 C ATOM 294 C ALA A 21 83.745 2.313 6.195 1.00 0.00 C ATOM 295 O ALA A 21 83.514 1.114 6.055 1.00 0.00 O ATOM 296 CB ALA A 21 85.711 2.866 4.749 1.00 0.00 C ATOM 0 H ALA A 21 85.817 0.942 6.921 1.00 0.00 H new ATOM 0 HA ALA A 21 85.220 3.822 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 85.078 3.525 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.734 3.242 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.691 1.863 4.324 1.00 0.00 H new ATOM 302 N LEU A 22 82.768 3.220 6.347 1.00 0.00 N ATOM 303 CA LEU A 22 81.353 2.814 6.343 1.00 0.00 C ATOM 304 C LEU A 22 80.509 3.727 5.462 1.00 0.00 C ATOM 305 O LEU A 22 80.654 4.950 5.494 1.00 0.00 O ATOM 306 CB LEU A 22 80.777 2.832 7.764 1.00 0.00 C ATOM 307 CG LEU A 22 81.641 1.969 8.709 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.701 2.841 9.401 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.750 1.309 9.771 1.00 0.00 C ATOM 0 H LEU A 22 82.925 4.220 6.472 1.00 0.00 H new ATOM 0 HA LEU A 22 81.317 1.801 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 80.736 3.857 8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.754 2.456 7.753 1.00 0.00 H new ATOM 0 HG LEU A 22 82.140 1.198 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.304 2.222 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.343 3.299 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.208 3.621 9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.365 0.701 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.243 2.080 10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.009 0.676 9.282 1.00 0.00 H new ATOM 321 N PHE A 23 79.621 3.122 4.669 1.00 0.00 N ATOM 322 CA PHE A 23 78.742 3.875 3.772 1.00 0.00 C ATOM 323 C PHE A 23 77.282 3.758 4.220 1.00 0.00 C ATOM 324 O PHE A 23 76.628 2.735 4.001 1.00 0.00 O ATOM 325 CB PHE A 23 78.880 3.327 2.344 1.00 0.00 C ATOM 326 CG PHE A 23 80.184 3.790 1.731 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.284 5.078 1.187 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.287 2.929 1.694 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.484 5.503 0.608 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.487 3.354 1.112 1.00 0.00 C ATOM 331 CZ PHE A 23 82.585 4.643 0.570 1.00 0.00 C ATOM 0 H PHE A 23 79.492 2.111 4.630 1.00 0.00 H new ATOM 0 HA PHE A 23 79.034 4.925 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.843 2.238 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.042 3.665 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.433 5.743 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.212 1.937 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.560 6.496 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.337 2.689 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.512 4.972 0.123 1.00 0.00 H new ATOM 341 N GLU A 24 76.792 4.810 4.885 1.00 0.00 N ATOM 342 CA GLU A 24 75.420 4.825 5.404 1.00 0.00 C ATOM 343 C GLU A 24 74.524 5.765 4.595 1.00 0.00 C ATOM 344 O GLU A 24 74.856 6.934 4.397 1.00 0.00 O ATOM 345 CB GLU A 24 75.412 5.324 6.853 1.00 0.00 C ATOM 346 CG GLU A 24 76.278 4.432 7.753 1.00 0.00 C ATOM 347 CD GLU A 24 77.740 4.856 7.668 1.00 0.00 C ATOM 348 OE1 GLU A 24 78.046 5.690 6.832 1.00 0.00 O ATOM 349 OE2 GLU A 24 78.524 4.353 8.456 1.00 0.00 O1- ATOM 0 H GLU A 24 77.323 5.660 5.076 1.00 0.00 H new ATOM 0 HA GLU A 24 75.042 3.805 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 24 75.781 6.349 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.389 5.340 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.932 4.499 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 24 76.176 3.390 7.450 1.00 0.00 H new ATOM 356 N CYS A 25 73.374 5.241 4.156 1.00 0.00 N ATOM 357 CA CYS A 25 72.389 6.020 3.390 1.00 0.00 C ATOM 358 C CYS A 25 71.067 6.062 4.159 1.00 0.00 C ATOM 359 O CYS A 25 70.571 5.032 4.619 1.00 0.00 O ATOM 360 CB CYS A 25 72.177 5.395 1.996 1.00 0.00 C ATOM 361 SG CYS A 25 71.381 6.592 0.894 1.00 0.00 S ATOM 0 H CYS A 25 73.099 4.272 4.319 1.00 0.00 H new ATOM 0 HA CYS A 25 72.761 7.036 3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.135 5.085 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 25 71.561 4.500 2.080 1.00 0.00 H new ATOM 0 HG CYS A 25 71.565 7.794 1.354 1.00 0.00 H new ATOM 367 N GLN A 26 70.519 7.263 4.313 1.00 0.00 N ATOM 368 CA GLN A 26 69.262 7.458 5.043 1.00 0.00 C ATOM 369 C GLN A 26 68.161 7.886 4.074 1.00 0.00 C ATOM 370 O GLN A 26 68.136 9.029 3.620 1.00 0.00 O ATOM 371 CB GLN A 26 69.479 8.544 6.111 1.00 0.00 C ATOM 372 CG GLN A 26 68.142 9.058 6.663 1.00 0.00 C ATOM 373 CD GLN A 26 67.242 7.901 7.065 1.00 0.00 C ATOM 374 OE1 GLN A 26 66.740 7.167 6.212 1.00 0.00 O ATOM 375 NE2 GLN A 26 67.004 7.699 8.332 1.00 0.00 N ATOM 0 H GLN A 26 70.924 8.122 3.942 1.00 0.00 H new ATOM 0 HA GLN A 26 68.959 6.526 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 26 70.080 8.141 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 26 70.040 9.373 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 26 68.322 9.700 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 26 67.643 9.668 5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 26 67.423 8.310 9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 66.399 6.930 8.621 1.00 0.00 H new ATOM 384 N LEU A 27 67.262 6.951 3.746 1.00 0.00 N ATOM 385 CA LEU A 27 66.160 7.231 2.811 1.00 0.00 C ATOM 386 C LEU A 27 64.798 6.971 3.452 1.00 0.00 C ATOM 387 O LEU A 27 64.709 6.472 4.575 1.00 0.00 O ATOM 388 CB LEU A 27 66.300 6.367 1.545 1.00 0.00 C ATOM 389 CG LEU A 27 66.736 4.924 1.884 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.868 4.325 3.003 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.585 4.069 0.627 1.00 0.00 C ATOM 0 H LEU A 27 67.273 5.998 4.110 1.00 0.00 H new ATOM 0 HA LEU A 27 66.220 8.286 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.349 6.344 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.030 6.820 0.874 1.00 0.00 H new ATOM 0 HG LEU A 27 67.770 4.941 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.201 3.309 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 27 65.961 4.935 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 27 64.826 4.306 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.888 3.045 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.544 4.078 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.215 4.473 -0.166 1.00 0.00 H new ATOM 403 N SER A 28 63.733 7.308 2.711 1.00 0.00 N ATOM 404 CA SER A 28 62.362 7.096 3.189 1.00 0.00 C ATOM 405 C SER A 28 61.594 6.155 2.253 1.00 0.00 C ATOM 406 O SER A 28 61.090 6.574 1.219 1.00 0.00 O ATOM 407 CB SER A 28 61.624 8.436 3.288 1.00 0.00 C ATOM 408 OG SER A 28 60.310 8.215 3.789 1.00 0.00 O ATOM 0 H SER A 28 63.795 7.726 1.783 1.00 0.00 H new ATOM 0 HA SER A 28 62.416 6.637 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.167 9.115 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.577 8.911 2.308 1.00 0.00 H new ATOM 0 HG SER A 28 59.837 9.071 3.855 1.00 0.00 H new ATOM 414 N GLN A 29 61.491 4.894 2.661 1.00 0.00 N ATOM 415 CA GLN A 29 60.769 3.860 1.915 1.00 0.00 C ATOM 416 C GLN A 29 60.698 2.598 2.768 1.00 0.00 C ATOM 417 O GLN A 29 61.517 1.691 2.611 1.00 0.00 O ATOM 418 CB GLN A 29 61.482 3.530 0.595 1.00 0.00 C ATOM 419 CG GLN A 29 62.998 3.492 0.813 1.00 0.00 C ATOM 420 CD GLN A 29 63.673 2.606 -0.241 1.00 0.00 C ATOM 421 OE1 GLN A 29 64.645 1.918 0.071 1.00 0.00 O ATOM 422 NE2 GLN A 29 63.226 2.578 -1.471 1.00 0.00 N ATOM 0 H GLN A 29 61.909 4.554 3.527 1.00 0.00 H new ATOM 0 HA GLN A 29 59.770 4.230 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.137 2.568 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 29 61.233 4.277 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.404 4.502 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.218 3.112 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.421 3.146 -1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.683 1.988 -2.166 1.00 0.00 H new ATOM 431 N PRO A 30 59.760 2.521 3.675 1.00 0.00 N ATOM 432 CA PRO A 30 59.631 1.340 4.566 1.00 0.00 C ATOM 433 C PRO A 30 59.144 0.098 3.801 1.00 0.00 C ATOM 434 O PRO A 30 58.460 -0.760 4.359 1.00 0.00 O ATOM 435 CB PRO A 30 58.636 1.780 5.671 1.00 0.00 C ATOM 436 CG PRO A 30 58.229 3.204 5.360 1.00 0.00 C ATOM 437 CD PRO A 30 58.733 3.539 3.949 1.00 0.00 C ATOM 0 HA PRO A 30 60.590 1.041 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.765 1.125 5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.101 1.718 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.146 3.312 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.655 3.891 6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.926 3.495 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.149 4.545 3.904 1.00 0.00 H new ATOM 445 N GLU A 31 59.526 0.007 2.526 1.00 0.00 N ATOM 446 CA GLU A 31 59.159 -1.126 1.687 1.00 0.00 C ATOM 447 C GLU A 31 60.268 -1.349 0.666 1.00 0.00 C ATOM 448 O GLU A 31 61.141 -0.498 0.515 1.00 0.00 O ATOM 449 CB GLU A 31 57.812 -0.877 0.983 1.00 0.00 C ATOM 450 CG GLU A 31 57.878 0.377 0.099 1.00 0.00 C ATOM 451 CD GLU A 31 57.857 1.631 0.961 1.00 0.00 C ATOM 452 OE1 GLU A 31 57.223 1.604 2.003 1.00 0.00 O ATOM 453 OE2 GLU A 31 58.475 2.605 0.565 1.00 0.00 O1- ATOM 0 H GLU A 31 60.093 0.711 2.053 1.00 0.00 H new ATOM 0 HA GLU A 31 59.041 -2.016 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.550 -1.742 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.024 -0.761 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.785 0.357 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.035 0.388 -0.592 1.00 0.00 H new ATOM 496 N HIS A 35 66.202 -3.208 -5.313 1.00 0.00 N ATOM 497 CA HIS A 35 67.429 -2.563 -4.826 1.00 0.00 C ATOM 498 C HIS A 35 68.678 -3.346 -5.262 1.00 0.00 C ATOM 499 O HIS A 35 68.756 -4.561 -5.072 1.00 0.00 O ATOM 500 CB HIS A 35 67.395 -2.476 -3.290 1.00 0.00 C ATOM 501 CG HIS A 35 66.475 -1.374 -2.844 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.103 -1.538 -2.782 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.723 -0.103 -2.399 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.580 -0.391 -2.310 1.00 0.00 C ATOM 505 NE2 HIS A 35 65.522 0.518 -2.059 1.00 0.00 N ATOM 0 HA HIS A 35 67.479 -1.563 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.062 -3.427 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.400 -2.296 -2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 35 67.701 0.350 -2.323 1.00 0.00 H new ATOM 0 HE1 HIS A 35 63.524 -0.227 -2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 35 65.392 1.463 -1.697 1.00 0.00 H new ATOM 513 N THR A 36 69.658 -2.633 -5.833 1.00 0.00 N ATOM 514 CA THR A 36 70.918 -3.255 -6.281 1.00 0.00 C ATOM 515 C THR A 36 72.113 -2.478 -5.732 1.00 0.00 C ATOM 516 O THR A 36 72.196 -1.269 -5.902 1.00 0.00 O ATOM 517 CB THR A 36 70.979 -3.265 -7.812 1.00 0.00 C ATOM 518 OG1 THR A 36 69.964 -4.123 -8.311 1.00 0.00 O ATOM 519 CG2 THR A 36 72.352 -3.761 -8.276 1.00 0.00 C ATOM 0 H THR A 36 69.606 -1.628 -5.997 1.00 0.00 H new ATOM 0 HA THR A 36 70.954 -4.279 -5.909 1.00 0.00 H new ATOM 0 HB THR A 36 70.824 -2.254 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.996 -4.133 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.388 -3.766 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.127 -3.099 -7.890 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.519 -4.772 -7.903 1.00 0.00 H new ATOM 527 N TRP A 37 73.044 -3.180 -5.080 1.00 0.00 N ATOM 528 CA TRP A 37 74.239 -2.536 -4.514 1.00 0.00 C ATOM 529 C TRP A 37 75.492 -3.167 -5.089 1.00 0.00 C ATOM 530 O TRP A 37 75.839 -4.297 -4.752 1.00 0.00 O ATOM 531 CB TRP A 37 74.245 -2.695 -2.988 1.00 0.00 C ATOM 532 CG TRP A 37 75.140 -1.663 -2.357 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.348 -1.254 -2.829 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.907 -0.899 -1.143 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.853 -0.290 -1.985 1.00 0.00 N ATOM 536 CE2 TRP A 37 76.009 -0.040 -0.933 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.855 -0.867 -0.208 1.00 0.00 C ATOM 538 CZ2 TRP A 37 76.069 0.821 0.155 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.912 0.001 0.893 1.00 0.00 C ATOM 540 CH2 TRP A 37 75.019 0.843 1.075 1.00 0.00 C ATOM 0 H TRP A 37 72.997 -4.188 -4.930 1.00 0.00 H new ATOM 0 HA TRP A 37 74.219 -1.476 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.231 -2.592 -2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.588 -3.695 -2.721 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.832 -1.625 -3.720 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.747 0.181 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 37 73.000 -1.514 -0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.922 1.469 0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.099 0.021 1.604 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.059 1.507 1.926 1.00 0.00 H new ATOM 551 N LEU A 38 76.180 -2.419 -5.947 1.00 0.00 N ATOM 552 CA LEU A 38 77.408 -2.910 -6.566 1.00 0.00 C ATOM 553 C LEU A 38 78.528 -1.866 -6.485 1.00 0.00 C ATOM 554 O LEU A 38 78.500 -0.859 -7.194 1.00 0.00 O ATOM 555 CB LEU A 38 77.131 -3.245 -8.037 1.00 0.00 C ATOM 556 CG LEU A 38 76.031 -4.318 -8.155 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.668 -4.501 -9.637 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.526 -5.661 -7.576 1.00 0.00 C ATOM 0 H LEU A 38 75.911 -1.476 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 38 77.733 -3.801 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.825 -2.344 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 38 78.045 -3.601 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 38 75.155 -3.997 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.890 -5.259 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.305 -3.556 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.551 -4.818 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.738 -6.409 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.406 -5.993 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.784 -5.531 -6.525 1.00 0.00 H new ATOM 570 N LEU A 39 79.536 -2.146 -5.651 1.00 0.00 N ATOM 571 CA LEU A 39 80.692 -1.262 -5.525 1.00 0.00 C ATOM 572 C LEU A 39 81.653 -1.749 -6.579 1.00 0.00 C ATOM 573 O LEU A 39 81.376 -1.628 -7.771 1.00 0.00 O ATOM 574 CB LEU A 39 81.316 -1.294 -4.086 1.00 0.00 C ATOM 575 CG LEU A 39 80.850 -2.514 -3.260 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.613 -3.776 -3.689 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.141 -2.264 -1.772 1.00 0.00 C ATOM 0 H LEU A 39 79.572 -2.975 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 39 80.423 -0.216 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.403 -1.309 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 39 81.048 -0.379 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 39 79.782 -2.655 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.273 -4.626 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.428 -3.972 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.681 -3.627 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.813 -3.124 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.212 -2.116 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.605 -1.374 -1.441 1.00 0.00 H new ATOM 589 N ASP A 40 82.705 -2.424 -6.169 1.00 0.00 N ATOM 590 CA ASP A 40 83.567 -3.035 -7.136 1.00 0.00 C ATOM 591 C ASP A 40 82.652 -3.994 -7.891 1.00 0.00 C ATOM 592 O ASP A 40 81.534 -4.242 -7.441 1.00 0.00 O ATOM 593 CB ASP A 40 84.708 -3.786 -6.450 1.00 0.00 C ATOM 594 CG ASP A 40 85.705 -4.304 -7.483 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.448 -4.142 -8.662 1.00 0.00 O ATOM 596 OD2 ASP A 40 86.710 -4.859 -7.076 1.00 0.00 O1- ATOM 0 H ASP A 40 82.974 -2.558 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 40 84.044 -2.309 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.215 -3.125 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.307 -4.619 -5.873 1.00 0.00 H new ATOM 601 N ASP A 41 83.050 -4.470 -9.026 1.00 0.00 N ATOM 602 CA ASP A 41 82.169 -5.333 -9.796 1.00 0.00 C ATOM 603 C ASP A 41 81.933 -6.686 -9.101 1.00 0.00 C ATOM 604 O ASP A 41 81.939 -7.725 -9.754 1.00 0.00 O ATOM 605 CB ASP A 41 82.777 -5.568 -11.180 1.00 0.00 C ATOM 606 CG ASP A 41 84.151 -6.208 -11.034 1.00 0.00 C ATOM 607 OD1 ASP A 41 84.668 -6.203 -9.931 1.00 0.00 O1- ATOM 608 OD2 ASP A 41 84.671 -6.691 -12.026 1.00 0.00 O ATOM 0 H ASP A 41 83.961 -4.289 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 41 81.204 -4.834 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.125 -6.213 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.860 -4.623 -11.717 1.00 0.00 H new ATOM 613 N GLU A 42 81.699 -6.675 -7.772 1.00 0.00 N ATOM 614 CA GLU A 42 81.448 -7.930 -7.027 1.00 0.00 C ATOM 615 C GLU A 42 80.302 -7.730 -6.003 1.00 0.00 C ATOM 616 O GLU A 42 80.302 -6.727 -5.290 1.00 0.00 O ATOM 617 CB GLU A 42 82.737 -8.347 -6.291 1.00 0.00 C ATOM 618 CG GLU A 42 83.694 -9.058 -7.262 1.00 0.00 C ATOM 619 CD GLU A 42 85.032 -9.352 -6.581 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.076 -10.250 -5.758 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 85.998 -8.681 -6.909 1.00 0.00 O ATOM 0 H GLU A 42 81.678 -5.830 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 42 81.154 -8.710 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.223 -7.468 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.493 -9.008 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.244 -9.988 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.857 -8.435 -8.142 1.00 0.00 H new ATOM 628 N PRO A 43 79.331 -8.638 -5.896 1.00 0.00 N ATOM 629 CA PRO A 43 78.219 -8.472 -4.912 1.00 0.00 C ATOM 630 C PRO A 43 78.779 -8.268 -3.508 1.00 0.00 C ATOM 631 O PRO A 43 79.764 -8.904 -3.126 1.00 0.00 O ATOM 632 CB PRO A 43 77.377 -9.767 -4.998 1.00 0.00 C ATOM 633 CG PRO A 43 78.003 -10.636 -6.063 1.00 0.00 C ATOM 634 CD PRO A 43 79.195 -9.873 -6.684 1.00 0.00 C ATOM 0 HA PRO A 43 77.609 -7.596 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.365 -10.283 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.341 -9.537 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.340 -11.579 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.269 -10.881 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.107 -10.468 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.012 -9.649 -7.735 1.00 0.00 H new ATOM 642 N VAL A 44 78.189 -7.335 -2.768 1.00 0.00 N ATOM 643 CA VAL A 44 78.687 -7.002 -1.439 1.00 0.00 C ATOM 644 C VAL A 44 78.269 -7.991 -0.348 1.00 0.00 C ATOM 645 O VAL A 44 77.372 -7.718 0.436 1.00 0.00 O ATOM 646 CB VAL A 44 78.162 -5.621 -1.058 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.973 -5.061 0.111 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.269 -4.687 -2.262 1.00 0.00 C ATOM 0 H VAL A 44 77.372 -6.800 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 44 79.775 -7.037 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 44 77.118 -5.701 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.593 -4.075 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.884 -5.728 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 44 80.021 -4.980 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.894 -3.700 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 44 79.312 -4.607 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.677 -5.086 -3.086 1.00 0.00 H new ATOM 658 N ARG A 45 78.988 -9.097 -0.256 1.00 0.00 N ATOM 659 CA ARG A 45 78.766 -10.092 0.792 1.00 0.00 C ATOM 660 C ARG A 45 80.100 -10.769 1.040 1.00 0.00 C ATOM 661 O ARG A 45 80.688 -10.633 2.094 1.00 0.00 O ATOM 662 CB ARG A 45 77.668 -11.084 0.406 1.00 0.00 C ATOM 663 CG ARG A 45 76.316 -10.358 0.441 1.00 0.00 C ATOM 664 CD ARG A 45 75.198 -11.366 0.227 1.00 0.00 C ATOM 665 NE ARG A 45 73.890 -10.705 0.194 1.00 0.00 N ATOM 666 CZ ARG A 45 73.192 -10.493 1.312 1.00 0.00 C ATOM 667 NH1 ARG A 45 72.844 -11.509 2.052 1.00 0.00 N ATOM 668 NH2 ARG A 45 72.849 -9.278 1.663 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.741 -9.335 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 45 78.410 -9.621 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.855 -11.487 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.662 -11.928 1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.187 -9.852 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.282 -9.591 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.362 -11.902 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 45 75.214 -12.107 1.026 1.00 0.00 H new ATOM 0 HE ARG A 45 73.506 -10.401 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.105 -12.455 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.311 -11.357 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 45 73.115 -8.484 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.316 -9.126 2.519 1.00 0.00 H new ATOM 682 N THR A 46 80.542 -11.457 -0.002 1.00 0.00 N ATOM 683 CA THR A 46 81.842 -12.174 -0.069 1.00 0.00 C ATOM 684 C THR A 46 82.473 -12.584 1.282 1.00 0.00 C ATOM 685 O THR A 46 82.827 -13.748 1.457 1.00 0.00 O ATOM 686 CB THR A 46 82.840 -11.310 -0.850 1.00 0.00 C ATOM 687 OG1 THR A 46 84.168 -11.682 -0.515 1.00 0.00 O ATOM 688 CG2 THR A 46 82.628 -9.839 -0.500 1.00 0.00 C ATOM 0 H THR A 46 80.000 -11.545 -0.862 1.00 0.00 H new ATOM 0 HA THR A 46 81.619 -13.119 -0.565 1.00 0.00 H new ATOM 0 HB THR A 46 82.680 -11.461 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 46 84.800 -11.127 -1.018 1.00 0.00 H new ATOM 0 HG21 THR A 46 83.338 -9.227 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.612 -9.545 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 46 82.783 -9.693 0.569 1.00 0.00 H new ATOM 696 N SER A 47 82.624 -11.657 2.223 1.00 0.00 N ATOM 697 CA SER A 47 83.223 -11.988 3.523 1.00 0.00 C ATOM 698 C SER A 47 83.115 -10.810 4.489 1.00 0.00 C ATOM 699 O SER A 47 82.819 -9.696 4.080 1.00 0.00 O ATOM 700 CB SER A 47 84.697 -12.374 3.342 1.00 0.00 C ATOM 701 OG SER A 47 85.500 -11.197 3.313 1.00 0.00 O ATOM 0 H SER A 47 82.346 -10.681 2.118 1.00 0.00 H new ATOM 0 HA SER A 47 82.676 -12.833 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.016 -13.024 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 47 84.825 -12.937 2.417 1.00 0.00 H new ATOM 0 HG SER A 47 86.441 -11.446 3.199 1.00 0.00 H new ATOM 707 N GLU A 48 83.375 -11.049 5.778 1.00 0.00 N ATOM 708 CA GLU A 48 83.308 -9.972 6.765 1.00 0.00 C ATOM 709 C GLU A 48 84.009 -8.730 6.207 1.00 0.00 C ATOM 710 O GLU A 48 83.608 -7.596 6.465 1.00 0.00 O ATOM 711 CB GLU A 48 83.990 -10.415 8.060 1.00 0.00 C ATOM 712 CG GLU A 48 83.270 -11.631 8.644 1.00 0.00 C ATOM 713 CD GLU A 48 81.845 -11.257 9.037 1.00 0.00 C ATOM 714 OE1 GLU A 48 81.588 -10.079 9.200 1.00 0.00 O ATOM 715 OE2 GLU A 48 81.036 -12.158 9.181 1.00 0.00 O1- ATOM 0 H GLU A 48 83.629 -11.962 6.156 1.00 0.00 H new ATOM 0 HA GLU A 48 82.265 -9.736 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.034 -10.660 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 48 83.984 -9.598 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.254 -12.439 7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.811 -12.000 9.515 1.00 0.00 H new ATOM 722 N ASN A 49 85.060 -8.972 5.428 1.00 0.00 N ATOM 723 CA ASN A 49 85.816 -7.884 4.815 1.00 0.00 C ATOM 724 C ASN A 49 84.913 -7.085 3.865 1.00 0.00 C ATOM 725 O ASN A 49 85.368 -6.181 3.168 1.00 0.00 O ATOM 726 CB ASN A 49 87.024 -8.433 4.049 1.00 0.00 C ATOM 727 CG ASN A 49 87.790 -7.282 3.402 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.617 -6.127 3.786 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.633 -7.526 2.439 1.00 0.00 N ATOM 0 H ASN A 49 85.406 -9.906 5.207 1.00 0.00 H new ATOM 0 HA ASN A 49 86.175 -7.225 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.678 -8.982 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 49 86.693 -9.137 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.148 -6.760 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.778 -8.483 2.119 1.00 0.00 H new ATOM 736 N ALA A 50 83.623 -7.425 3.867 1.00 0.00 N ATOM 737 CA ALA A 50 82.630 -6.744 3.036 1.00 0.00 C ATOM 738 C ALA A 50 81.274 -7.428 3.196 1.00 0.00 C ATOM 739 O ALA A 50 81.158 -8.613 2.936 1.00 0.00 O ATOM 740 CB ALA A 50 83.045 -6.752 1.559 1.00 0.00 C ATOM 0 H ALA A 50 83.239 -8.176 4.441 1.00 0.00 H new ATOM 0 HA ALA A 50 82.561 -5.707 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.288 -6.239 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.001 -6.241 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.141 -7.781 1.214 1.00 0.00 H new ATOM 746 N GLU A 51 80.246 -6.670 3.583 1.00 0.00 N ATOM 747 CA GLU A 51 78.898 -7.247 3.733 1.00 0.00 C ATOM 748 C GLU A 51 77.897 -6.182 4.141 1.00 0.00 C ATOM 749 O GLU A 51 78.189 -5.338 4.991 1.00 0.00 O ATOM 750 CB GLU A 51 78.889 -8.373 4.785 1.00 0.00 C ATOM 751 CG GLU A 51 77.474 -8.973 4.883 1.00 0.00 C ATOM 752 CD GLU A 51 77.441 -10.149 5.858 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.501 -10.645 6.200 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 76.348 -10.537 6.239 1.00 0.00 O ATOM 0 H GLU A 51 80.312 -5.675 3.796 1.00 0.00 H new ATOM 0 HA GLU A 51 78.614 -7.660 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.606 -9.147 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.198 -7.982 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.772 -8.206 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.147 -9.305 3.897 1.00 0.00 H new ATOM 761 N VAL A 52 76.707 -6.210 3.534 1.00 0.00 N ATOM 762 CA VAL A 52 75.677 -5.220 3.845 1.00 0.00 C ATOM 763 C VAL A 52 74.727 -5.745 4.920 1.00 0.00 C ATOM 764 O VAL A 52 74.516 -6.953 5.053 1.00 0.00 O ATOM 765 CB VAL A 52 74.889 -4.902 2.559 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.399 -3.452 2.562 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.788 -5.141 1.343 1.00 0.00 C ATOM 0 H VAL A 52 76.437 -6.900 2.833 1.00 0.00 H new ATOM 0 HA VAL A 52 76.153 -4.316 4.226 1.00 0.00 H new ATOM 0 HB VAL A 52 74.018 -5.556 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.846 -3.253 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.747 -3.290 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.254 -2.779 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.234 -4.917 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.663 -4.494 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.108 -6.183 1.326 1.00 0.00 H new ATOM 777 N VAL A 53 74.148 -4.814 5.665 1.00 0.00 N ATOM 778 CA VAL A 53 73.205 -5.141 6.729 1.00 0.00 C ATOM 779 C VAL A 53 72.112 -4.069 6.805 1.00 0.00 C ATOM 780 O VAL A 53 72.332 -2.912 6.440 1.00 0.00 O ATOM 781 CB VAL A 53 73.971 -5.271 8.052 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.922 -4.079 8.201 1.00 0.00 C ATOM 783 CG2 VAL A 53 72.991 -5.320 9.236 1.00 0.00 C ATOM 0 H VAL A 53 74.317 -3.815 5.551 1.00 0.00 H new ATOM 0 HA VAL A 53 72.714 -6.092 6.522 1.00 0.00 H new ATOM 0 HB VAL A 53 74.546 -6.197 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.470 -4.165 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 53 75.627 -4.070 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 53 74.347 -3.153 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 73.550 -5.412 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 53 72.400 -4.405 9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 53 72.328 -6.178 9.124 1.00 0.00 H new ATOM 793 N PHE A 54 70.925 -4.480 7.254 1.00 0.00 N ATOM 794 CA PHE A 54 69.777 -3.571 7.355 1.00 0.00 C ATOM 795 C PHE A 54 69.504 -3.171 8.805 1.00 0.00 C ATOM 796 O PHE A 54 69.601 -3.987 9.723 1.00 0.00 O ATOM 797 CB PHE A 54 68.519 -4.263 6.783 1.00 0.00 C ATOM 798 CG PHE A 54 68.449 -4.102 5.275 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.494 -4.571 4.471 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.332 -3.491 4.685 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.425 -4.432 3.077 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.262 -3.355 3.291 1.00 0.00 C ATOM 803 CZ PHE A 54 68.309 -3.826 2.488 1.00 0.00 C ATOM 0 H PHE A 54 70.731 -5.435 7.554 1.00 0.00 H new ATOM 0 HA PHE A 54 70.012 -2.672 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.534 -5.322 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.626 -3.837 7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.355 -5.040 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.526 -3.126 5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 54 70.233 -4.793 2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.401 -2.887 2.837 1.00 0.00 H new ATOM 0 HZ PHE A 54 68.255 -3.722 1.414 1.00 0.00 H new ATOM 813 N PHE A 55 69.113 -1.910 8.976 1.00 0.00 N ATOM 814 CA PHE A 55 68.756 -1.369 10.282 1.00 0.00 C ATOM 815 C PHE A 55 67.493 -0.534 10.130 1.00 0.00 C ATOM 816 O PHE A 55 67.290 0.122 9.109 1.00 0.00 O ATOM 817 CB PHE A 55 69.888 -0.506 10.843 1.00 0.00 C ATOM 818 CG PHE A 55 71.004 -1.376 11.372 1.00 0.00 C ATOM 819 CD1 PHE A 55 72.058 -1.767 10.538 1.00 0.00 C ATOM 820 CD2 PHE A 55 70.994 -1.759 12.716 1.00 0.00 C ATOM 821 CE1 PHE A 55 73.101 -2.551 11.053 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.037 -2.535 13.232 1.00 0.00 C ATOM 823 CZ PHE A 55 73.091 -2.931 12.399 1.00 0.00 C ATOM 0 H PHE A 55 69.035 -1.237 8.214 1.00 0.00 H new ATOM 0 HA PHE A 55 68.585 -2.190 10.978 1.00 0.00 H new ATOM 0 HB2 PHE A 55 70.271 0.153 10.064 1.00 0.00 H new ATOM 0 HB3 PHE A 55 69.506 0.131 11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 55 72.068 -1.466 9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 55 70.180 -1.455 13.357 1.00 0.00 H new ATOM 0 HE1 PHE A 55 73.912 -2.861 10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 55 72.030 -2.828 14.271 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.897 -3.530 12.796 1.00 0.00 H new ATOM 833 N GLU A 56 66.636 -0.572 11.135 1.00 0.00 N ATOM 834 CA GLU A 56 65.385 0.173 11.077 1.00 0.00 C ATOM 835 C GLU A 56 64.610 -0.188 9.810 1.00 0.00 C ATOM 836 O GLU A 56 63.993 0.666 9.180 1.00 0.00 O ATOM 837 CB GLU A 56 65.654 1.678 11.115 1.00 0.00 C ATOM 838 CG GLU A 56 66.216 2.058 12.483 1.00 0.00 C ATOM 839 CD GLU A 56 66.534 3.548 12.520 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.133 4.243 11.601 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 67.164 3.977 13.469 1.00 0.00 O ATOM 0 H GLU A 56 66.778 -1.104 11.994 1.00 0.00 H new ATOM 0 HA GLU A 56 64.785 -0.096 11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.359 1.952 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.733 2.228 10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.495 1.812 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 67.117 1.480 12.688 1.00 0.00 H new ATOM 848 N ASN A 57 64.654 -1.465 9.451 1.00 0.00 N ATOM 849 CA ASN A 57 63.956 -1.968 8.263 1.00 0.00 C ATOM 850 C ASN A 57 64.470 -1.321 6.967 1.00 0.00 C ATOM 851 O ASN A 57 63.684 -1.005 6.073 1.00 0.00 O ATOM 852 CB ASN A 57 62.442 -1.735 8.391 1.00 0.00 C ATOM 853 CG ASN A 57 61.919 -2.338 9.691 1.00 0.00 C ATOM 854 OD1 ASN A 57 62.046 -3.541 9.910 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.332 -1.570 10.568 1.00 0.00 N ATOM 0 H ASN A 57 65.168 -2.180 9.966 1.00 0.00 H new ATOM 0 HA ASN A 57 64.160 -3.037 8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 57 62.229 -0.666 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.926 -2.182 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.977 -1.968 11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 57 61.228 -0.572 10.384 1.00 0.00 H new ATOM 862 N GLY A 58 65.790 -1.153 6.860 1.00 0.00 N ATOM 863 CA GLY A 58 66.388 -0.575 5.653 1.00 0.00 C ATOM 864 C GLY A 58 66.294 0.941 5.636 1.00 0.00 C ATOM 865 O GLY A 58 66.803 1.587 4.719 1.00 0.00 O ATOM 0 H GLY A 58 66.460 -1.406 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.434 -0.873 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.888 -0.978 4.773 1.00 0.00 H new ATOM 869 N LEU A 59 65.657 1.513 6.645 1.00 0.00 N ATOM 870 CA LEU A 59 65.539 2.959 6.711 1.00 0.00 C ATOM 871 C LEU A 59 66.933 3.566 6.821 1.00 0.00 C ATOM 872 O LEU A 59 67.150 4.742 6.516 1.00 0.00 O ATOM 873 CB LEU A 59 64.684 3.349 7.920 1.00 0.00 C ATOM 874 CG LEU A 59 64.121 4.771 7.744 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.918 4.756 6.782 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.683 5.317 9.112 1.00 0.00 C ATOM 0 H LEU A 59 65.221 1.008 7.417 1.00 0.00 H new ATOM 0 HA LEU A 59 65.056 3.337 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.865 2.639 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.284 3.299 8.829 1.00 0.00 H new ATOM 0 HG LEU A 59 64.896 5.411 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.531 5.769 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.234 4.376 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.137 4.112 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.284 6.324 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.913 4.670 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.541 5.345 9.784 1.00 0.00 H new ATOM 888 N ARG A 60 67.877 2.722 7.242 1.00 0.00 N ATOM 889 CA ARG A 60 69.277 3.116 7.393 1.00 0.00 C ATOM 890 C ARG A 60 70.182 1.932 7.067 1.00 0.00 C ATOM 891 O ARG A 60 70.454 1.107 7.934 1.00 0.00 O ATOM 892 CB ARG A 60 69.561 3.547 8.834 1.00 0.00 C ATOM 893 CG ARG A 60 68.797 4.828 9.167 1.00 0.00 C ATOM 894 CD ARG A 60 69.069 5.201 10.625 1.00 0.00 C ATOM 895 NE ARG A 60 68.308 6.389 10.997 1.00 0.00 N ATOM 896 CZ ARG A 60 68.419 6.924 12.205 1.00 0.00 C ATOM 897 NH1 ARG A 60 69.581 6.934 12.799 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 67.373 7.446 12.789 1.00 0.00 N ATOM 0 H ARG A 60 67.692 1.749 7.487 1.00 0.00 H new ATOM 0 HA ARG A 60 69.471 3.946 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.270 2.753 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.631 3.709 8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.110 5.636 8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.729 4.682 9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.799 4.370 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.134 5.384 10.767 1.00 0.00 H new ATOM 0 HE ARG A 60 67.680 6.815 10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.395 6.532 12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 60 69.675 7.344 13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 60 66.470 7.442 12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 60 67.460 7.857 13.718 1.00 0.00 H new ATOM 912 N HIS A 61 70.636 1.836 5.825 1.00 0.00 N ATOM 913 CA HIS A 61 71.500 0.729 5.428 1.00 0.00 C ATOM 914 C HIS A 61 72.951 0.999 5.829 1.00 0.00 C ATOM 915 O HIS A 61 73.529 2.022 5.465 1.00 0.00 O ATOM 916 CB HIS A 61 71.422 0.523 3.920 1.00 0.00 C ATOM 917 CG HIS A 61 70.019 0.148 3.518 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.182 1.042 2.872 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.290 -1.010 3.660 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.013 0.419 2.651 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.023 -0.833 3.111 1.00 0.00 N ATOM 0 H HIS A 61 70.425 2.502 5.082 1.00 0.00 H new ATOM 0 HA HIS A 61 71.157 -0.170 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.724 1.435 3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.117 -0.260 3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.646 -1.917 4.126 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.167 0.877 2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.265 -1.514 3.069 1.00 0.00 H new ATOM 929 N LEU A 62 73.541 0.056 6.567 1.00 0.00 N ATOM 930 CA LEU A 62 74.934 0.173 7.007 1.00 0.00 C ATOM 931 C LEU A 62 75.801 -0.861 6.291 1.00 0.00 C ATOM 932 O LEU A 62 75.465 -2.044 6.252 1.00 0.00 O ATOM 933 CB LEU A 62 75.023 -0.061 8.523 1.00 0.00 C ATOM 934 CG LEU A 62 74.656 1.218 9.302 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.231 1.685 8.960 1.00 0.00 C ATOM 936 CD2 LEU A 62 74.754 0.928 10.802 1.00 0.00 C ATOM 0 H LEU A 62 73.075 -0.798 6.873 1.00 0.00 H new ATOM 0 HA LEU A 62 75.292 1.174 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.352 -0.871 8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.033 -0.375 8.787 1.00 0.00 H new ATOM 0 HG LEU A 62 75.349 2.012 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.999 2.589 9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.164 1.896 7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 62 72.519 0.902 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.497 1.826 11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.064 0.126 11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.772 0.625 11.048 1.00 0.00 H new ATOM 948 N LEU A 63 76.928 -0.410 5.734 1.00 0.00 N ATOM 949 CA LEU A 63 77.861 -1.310 5.030 1.00 0.00 C ATOM 950 C LEU A 63 79.251 -1.237 5.658 1.00 0.00 C ATOM 951 O LEU A 63 79.874 -0.174 5.672 1.00 0.00 O ATOM 952 CB LEU A 63 77.935 -0.921 3.545 1.00 0.00 C ATOM 953 CG LEU A 63 79.096 -1.647 2.839 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.026 -3.157 3.107 1.00 0.00 C ATOM 955 CD2 LEU A 63 78.992 -1.382 1.331 1.00 0.00 C ATOM 0 H LEU A 63 77.220 0.567 5.754 1.00 0.00 H new ATOM 0 HA LEU A 63 77.495 -2.333 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.994 -1.169 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.067 0.157 3.454 1.00 0.00 H new ATOM 0 HG LEU A 63 80.046 -1.275 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.853 -3.655 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.094 -3.340 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.081 -3.550 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.807 -1.889 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.038 -1.758 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.056 -0.310 1.145 1.00 0.00 H new ATOM 967 N LEU A 64 79.736 -2.364 6.194 1.00 0.00 N ATOM 968 CA LEU A 64 81.052 -2.398 6.833 1.00 0.00 C ATOM 969 C LEU A 64 82.109 -3.026 5.921 1.00 0.00 C ATOM 970 O LEU A 64 81.997 -4.195 5.536 1.00 0.00 O ATOM 971 CB LEU A 64 80.961 -3.233 8.108 1.00 0.00 C ATOM 972 CG LEU A 64 82.225 -3.031 8.962 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.180 -1.671 9.683 1.00 0.00 C ATOM 974 CD2 LEU A 64 82.314 -4.159 9.991 1.00 0.00 C ATOM 0 H LEU A 64 79.240 -3.255 6.197 1.00 0.00 H new ATOM 0 HA LEU A 64 81.347 -1.371 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.077 -2.946 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.848 -4.287 7.855 1.00 0.00 H new ATOM 0 HG LEU A 64 83.101 -3.047 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.082 -1.547 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.120 -0.870 8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.305 -1.632 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.207 -4.025 10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.431 -4.139 10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 64 82.367 -5.118 9.476 1.00 0.00 H new ATOM 986 N LEU A 65 83.151 -2.245 5.618 1.00 0.00 N ATOM 987 CA LEU A 65 84.265 -2.717 4.787 1.00 0.00 C ATOM 988 C LEU A 65 85.567 -2.572 5.566 1.00 0.00 C ATOM 989 O LEU A 65 86.005 -1.446 5.827 1.00 0.00 O ATOM 990 CB LEU A 65 84.385 -1.869 3.515 1.00 0.00 C ATOM 991 CG LEU A 65 83.038 -1.779 2.801 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.210 -0.952 1.521 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.526 -3.187 2.459 1.00 0.00 C ATOM 0 H LEU A 65 83.247 -1.281 5.936 1.00 0.00 H new ATOM 0 HA LEU A 65 84.079 -3.758 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.735 -0.869 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.128 -2.307 2.848 1.00 0.00 H new ATOM 0 HG LEU A 65 82.308 -1.298 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.254 -0.881 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.559 0.048 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 65 83.940 -1.435 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.565 -3.111 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.243 -3.687 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.406 -3.763 3.376 1.00 0.00 H new ATOM 1005 N LYS A 66 86.164 -3.685 6.000 1.00 0.00 N ATOM 1006 CA LYS A 66 87.383 -3.637 6.814 1.00 0.00 C ATOM 1007 C LYS A 66 88.639 -3.916 5.966 1.00 0.00 C ATOM 1008 O LYS A 66 88.589 -3.914 4.734 1.00 0.00 O ATOM 1009 CB LYS A 66 87.233 -4.708 7.932 1.00 0.00 C ATOM 1010 CG LYS A 66 87.799 -4.219 9.278 1.00 0.00 C ATOM 1011 CD LYS A 66 87.450 -5.223 10.400 1.00 0.00 C ATOM 1012 CE LYS A 66 88.435 -6.401 10.392 1.00 0.00 C ATOM 1013 NZ LYS A 66 89.833 -5.887 10.491 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.826 -4.627 5.803 1.00 0.00 H new ATOM 0 HA LYS A 66 87.507 -2.642 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.180 -4.962 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.748 -5.620 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.881 -4.104 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.390 -3.238 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.481 -4.722 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.433 -5.591 10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 66 88.223 -7.071 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 66 88.315 -6.982 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 90.390 -6.513 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 90.262 -5.862 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 89.822 -4.927 10.891 1.00 0.00 H new ATOM 1027 N ASN A 67 89.747 -4.162 6.658 1.00 0.00 N ATOM 1028 CA ASN A 67 91.028 -4.462 6.004 1.00 0.00 C ATOM 1029 C ASN A 67 91.201 -3.652 4.711 1.00 0.00 C ATOM 1030 O ASN A 67 91.498 -4.218 3.659 1.00 0.00 O ATOM 1031 CB ASN A 67 91.119 -5.958 5.684 1.00 0.00 C ATOM 1032 CG ASN A 67 92.574 -6.350 5.436 1.00 0.00 C ATOM 1033 OD1 ASN A 67 93.490 -5.709 5.954 1.00 0.00 O ATOM 1034 ND2 ASN A 67 92.842 -7.368 4.668 1.00 0.00 N ATOM 0 H ASN A 67 89.789 -4.161 7.677 1.00 0.00 H new ATOM 0 HA ASN A 67 91.825 -4.184 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.712 -6.541 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.517 -6.188 4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 67 93.811 -7.635 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.083 -7.898 4.240 1.00 0.00 H new ATOM 1041 N LEU A 68 90.958 -2.345 4.781 1.00 0.00 N ATOM 1042 CA LEU A 68 91.031 -1.492 3.588 1.00 0.00 C ATOM 1043 C LEU A 68 92.448 -1.347 3.027 1.00 0.00 C ATOM 1044 O LEU A 68 93.285 -0.645 3.584 1.00 0.00 O ATOM 1045 CB LEU A 68 90.509 -0.104 3.942 1.00 0.00 C ATOM 1046 CG LEU A 68 89.099 -0.208 4.528 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.646 1.180 4.977 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.111 -0.769 3.483 1.00 0.00 C ATOM 0 H LEU A 68 90.711 -1.854 5.640 1.00 0.00 H new ATOM 0 HA LEU A 68 90.426 -1.973 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.176 0.372 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.496 0.526 3.053 1.00 0.00 H new ATOM 0 HG LEU A 68 89.116 -0.889 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.642 1.117 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.332 1.560 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.640 1.855 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.115 -0.834 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.083 -0.108 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.436 -1.762 3.171 1.00 0.00 H new ATOM 1060 N ARG A 69 92.676 -1.981 1.875 1.00 0.00 N ATOM 1061 CA ARG A 69 93.960 -1.908 1.170 1.00 0.00 C ATOM 1062 C ARG A 69 93.776 -1.033 -0.077 1.00 0.00 C ATOM 1063 O ARG A 69 92.659 -0.588 -0.345 1.00 0.00 O ATOM 1064 CB ARG A 69 94.423 -3.337 0.775 1.00 0.00 C ATOM 1065 CG ARG A 69 93.689 -4.372 1.629 1.00 0.00 C ATOM 1066 CD ARG A 69 94.243 -5.766 1.341 1.00 0.00 C ATOM 1067 NE ARG A 69 93.699 -6.711 2.304 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.791 -8.013 2.112 1.00 0.00 C ATOM 1069 NH1 ARG A 69 93.365 -8.536 0.999 1.00 0.00 N ATOM 1070 NH2 ARG A 69 94.315 -8.762 3.034 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.979 -2.558 1.405 1.00 0.00 H new ATOM 0 HA ARG A 69 94.724 -1.470 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.223 -3.515 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.500 -3.433 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.807 -4.135 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.621 -4.343 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 69 93.981 -6.071 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.331 -5.756 1.400 1.00 0.00 H new ATOM 0 HE ARG A 69 93.238 -6.360 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 69 92.961 -7.939 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 69 93.435 -9.542 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.653 -8.343 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 69 94.389 -9.769 2.892 1.00 0.00 H new ATOM 1084 N PRO A 70 94.815 -0.791 -0.849 1.00 0.00 N ATOM 1085 CA PRO A 70 94.695 0.035 -2.086 1.00 0.00 C ATOM 1086 C PRO A 70 93.851 -0.678 -3.142 1.00 0.00 C ATOM 1087 O PRO A 70 93.279 -0.043 -4.031 1.00 0.00 O ATOM 1088 CB PRO A 70 96.152 0.272 -2.559 1.00 0.00 C ATOM 1089 CG PRO A 70 97.055 -0.396 -1.554 1.00 0.00 C ATOM 1090 CD PRO A 70 96.184 -1.281 -0.645 1.00 0.00 C ATOM 0 HA PRO A 70 94.184 0.981 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.307 -0.145 -3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.368 1.338 -2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.810 -0.997 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.586 0.351 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.272 -2.333 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.485 -1.193 0.399 1.00 0.00 H new ATOM 1098 N GLN A 71 93.797 -2.002 -3.032 1.00 0.00 N ATOM 1099 CA GLN A 71 93.030 -2.808 -3.978 1.00 0.00 C ATOM 1100 C GLN A 71 91.554 -2.447 -3.904 1.00 0.00 C ATOM 1101 O GLN A 71 90.979 -1.968 -4.883 1.00 0.00 O ATOM 1102 CB GLN A 71 93.219 -4.311 -3.698 1.00 0.00 C ATOM 1103 CG GLN A 71 92.438 -5.137 -4.735 1.00 0.00 C ATOM 1104 CD GLN A 71 92.639 -6.624 -4.485 1.00 0.00 C ATOM 1105 OE1 GLN A 71 93.578 -7.018 -3.791 1.00 0.00 O ATOM 1106 NE2 GLN A 71 91.802 -7.477 -5.009 1.00 0.00 N ATOM 0 H GLN A 71 94.271 -2.537 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 71 93.398 -2.595 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.278 -4.567 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 71 92.871 -4.550 -2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.377 -4.892 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.773 -4.882 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.027 -7.144 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 71 91.923 -8.476 -4.845 1.00 0.00 H new ATOM 1115 N ASP A 72 90.931 -2.707 -2.762 1.00 0.00 N ATOM 1116 CA ASP A 72 89.507 -2.438 -2.603 1.00 0.00 C ATOM 1117 C ASP A 72 89.106 -1.055 -3.107 1.00 0.00 C ATOM 1118 O ASP A 72 88.023 -0.916 -3.670 1.00 0.00 O ATOM 1119 CB ASP A 72 89.117 -2.552 -1.129 1.00 0.00 C ATOM 1120 CG ASP A 72 89.867 -1.502 -0.313 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.536 -0.335 -0.437 1.00 0.00 O ATOM 1122 OD2 ASP A 72 90.762 -1.881 0.422 1.00 0.00 O1- ATOM 0 H ASP A 72 91.385 -3.101 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 72 88.981 -3.180 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 72 88.042 -2.414 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.351 -3.550 -0.758 1.00 0.00 H new ATOM 1127 N SER A 73 89.932 -0.025 -2.882 1.00 0.00 N ATOM 1128 CA SER A 73 89.575 1.337 -3.312 1.00 0.00 C ATOM 1129 C SER A 73 88.775 1.354 -4.612 1.00 0.00 C ATOM 1130 O SER A 73 89.288 1.004 -5.675 1.00 0.00 O ATOM 1131 CB SER A 73 90.845 2.171 -3.492 1.00 0.00 C ATOM 1132 OG SER A 73 90.494 3.549 -3.609 1.00 0.00 O ATOM 0 H SER A 73 90.835 -0.103 -2.414 1.00 0.00 H new ATOM 0 HA SER A 73 88.943 1.762 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.513 2.025 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.385 1.845 -4.381 1.00 0.00 H new ATOM 0 HG SER A 73 89.678 3.724 -3.095 1.00 0.00 H new ATOM 1138 N CYS A 74 87.508 1.762 -4.517 1.00 0.00 N ATOM 1139 CA CYS A 74 86.645 1.813 -5.699 1.00 0.00 C ATOM 1140 C CYS A 74 85.386 2.648 -5.447 1.00 0.00 C ATOM 1141 O CYS A 74 85.246 3.301 -4.414 1.00 0.00 O ATOM 1142 CB CYS A 74 86.236 0.401 -6.110 1.00 0.00 C ATOM 1143 SG CYS A 74 85.149 -0.304 -4.846 1.00 0.00 S ATOM 0 H CYS A 74 87.062 2.058 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 74 87.215 2.285 -6.499 1.00 0.00 H new ATOM 0 HB2 CYS A 74 85.725 0.425 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 74 87.120 -0.224 -6.234 1.00 0.00 H new ATOM 0 HG CYS A 74 85.868 -0.801 -3.884 1.00 0.00 H new ATOM 1149 N ARG A 75 84.474 2.640 -6.421 1.00 0.00 N ATOM 1150 CA ARG A 75 83.240 3.414 -6.307 1.00 0.00 C ATOM 1151 C ARG A 75 82.160 2.604 -5.611 1.00 0.00 C ATOM 1152 O ARG A 75 82.127 1.379 -5.706 1.00 0.00 O ATOM 1153 CB ARG A 75 82.701 3.843 -7.688 1.00 0.00 C ATOM 1154 CG ARG A 75 83.827 4.161 -8.695 1.00 0.00 C ATOM 1155 CD ARG A 75 85.063 4.777 -8.025 1.00 0.00 C ATOM 1156 NE ARG A 75 85.732 5.649 -8.971 1.00 0.00 N ATOM 1157 CZ ARG A 75 86.429 5.146 -9.977 1.00 0.00 C ATOM 1158 NH1 ARG A 75 87.252 4.157 -9.765 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 86.281 5.635 -11.176 1.00 0.00 N ATOM 0 H ARG A 75 84.566 2.111 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 75 83.484 4.302 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 82.073 3.049 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 75 82.067 4.722 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 75 84.117 3.246 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 75 83.449 4.848 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 75 84.769 5.339 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 75 85.742 3.991 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 75 85.665 6.661 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 75 87.357 3.773 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 75 87.791 3.767 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 75 85.629 6.403 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 75 86.817 5.250 -11.954 1.00 0.00 H new ATOM 1173 N VAL A 76 81.255 3.309 -4.947 1.00 0.00 N ATOM 1174 CA VAL A 76 80.139 2.669 -4.271 1.00 0.00 C ATOM 1175 C VAL A 76 78.850 3.127 -4.925 1.00 0.00 C ATOM 1176 O VAL A 76 78.544 4.318 -4.936 1.00 0.00 O ATOM 1177 CB VAL A 76 80.138 3.036 -2.789 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.083 2.195 -2.068 1.00 0.00 C ATOM 1179 CG2 VAL A 76 81.525 2.760 -2.185 1.00 0.00 C ATOM 0 H VAL A 76 81.273 4.325 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 76 80.230 1.586 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 76 79.906 4.095 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.076 2.451 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.101 2.397 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.319 1.137 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 81.520 3.023 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.766 1.703 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.274 3.358 -2.704 1.00 0.00 H new ATOM 1189 N THR A 77 78.104 2.181 -5.493 1.00 0.00 N ATOM 1190 CA THR A 77 76.854 2.510 -6.176 1.00 0.00 C ATOM 1191 C THR A 77 75.657 1.835 -5.518 1.00 0.00 C ATOM 1192 O THR A 77 75.596 0.612 -5.403 1.00 0.00 O ATOM 1193 CB THR A 77 76.928 2.070 -7.643 1.00 0.00 C ATOM 1194 OG1 THR A 77 77.969 2.777 -8.301 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.600 2.375 -8.340 1.00 0.00 C ATOM 0 H THR A 77 78.340 1.189 -5.494 1.00 0.00 H new ATOM 0 HA THR A 77 76.721 3.590 -6.111 1.00 0.00 H new ATOM 0 HB THR A 77 77.127 0.999 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.016 2.493 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.656 2.061 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.795 1.835 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.402 3.446 -8.294 1.00 0.00 H new ATOM 1203 N PHE A 78 74.689 2.659 -5.123 1.00 0.00 N ATOM 1204 CA PHE A 78 73.451 2.175 -4.506 1.00 0.00 C ATOM 1205 C PHE A 78 72.276 2.675 -5.354 1.00 0.00 C ATOM 1206 O PHE A 78 72.066 3.880 -5.463 1.00 0.00 O ATOM 1207 CB PHE A 78 73.354 2.721 -3.071 1.00 0.00 C ATOM 1208 CG PHE A 78 72.151 2.134 -2.360 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.096 0.757 -2.111 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.104 2.965 -1.930 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.995 0.210 -1.439 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.002 2.414 -1.262 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.951 1.038 -1.015 1.00 0.00 C ATOM 0 H PHE A 78 74.737 3.673 -5.219 1.00 0.00 H new ATOM 0 HA PHE A 78 73.435 1.086 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.263 2.478 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.276 3.808 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.902 0.117 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.148 4.028 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.953 -0.852 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.193 3.051 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.104 0.614 -0.496 1.00 0.00 H new ATOM 1223 N LEU A 79 71.535 1.760 -5.996 1.00 0.00 N ATOM 1224 CA LEU A 79 70.413 2.161 -6.873 1.00 0.00 C ATOM 1225 C LEU A 79 69.048 1.777 -6.285 1.00 0.00 C ATOM 1226 O LEU A 79 68.528 0.689 -6.555 1.00 0.00 O ATOM 1227 CB LEU A 79 70.586 1.487 -8.247 1.00 0.00 C ATOM 1228 CG LEU A 79 69.697 2.162 -9.319 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.205 1.789 -10.719 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.229 1.712 -9.183 1.00 0.00 C ATOM 0 H LEU A 79 71.684 0.753 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 79 70.434 3.247 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.631 1.540 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.330 0.430 -8.171 1.00 0.00 H new ATOM 0 HG LEU A 79 69.749 3.241 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.578 2.265 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.234 2.130 -10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.165 0.707 -10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 79 67.626 2.201 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.167 0.631 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.855 1.985 -8.196 1.00 0.00 H new ATOM 1242 N ALA A 80 68.459 2.695 -5.502 1.00 0.00 N ATOM 1243 CA ALA A 80 67.136 2.478 -4.891 1.00 0.00 C ATOM 1244 C ALA A 80 66.073 3.265 -5.655 1.00 0.00 C ATOM 1245 O ALA A 80 65.807 4.423 -5.335 1.00 0.00 O ATOM 1246 CB ALA A 80 67.145 2.948 -3.432 1.00 0.00 C ATOM 0 H ALA A 80 68.879 3.597 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 80 66.908 1.413 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.162 2.783 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 80 67.893 2.386 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.386 4.010 -3.393 1.00 0.00 H new ATOM 1252 N GLY A 81 65.459 2.633 -6.651 1.00 0.00 N ATOM 1253 CA GLY A 81 64.423 3.301 -7.439 1.00 0.00 C ATOM 1254 C GLY A 81 64.939 4.631 -7.990 1.00 0.00 C ATOM 1255 O GLY A 81 66.149 4.827 -8.113 1.00 0.00 O ATOM 0 H GLY A 81 65.656 1.672 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.112 2.657 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.543 3.475 -6.820 1.00 0.00 H new ATOM 1259 N ASP A 82 64.018 5.530 -8.338 1.00 0.00 N ATOM 1260 CA ASP A 82 64.364 6.847 -8.902 1.00 0.00 C ATOM 1261 C ASP A 82 65.433 7.600 -8.087 1.00 0.00 C ATOM 1262 O ASP A 82 65.745 8.751 -8.396 1.00 0.00 O ATOM 1263 CB ASP A 82 63.079 7.694 -8.959 1.00 0.00 C ATOM 1264 CG ASP A 82 62.187 7.227 -10.112 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.647 6.417 -10.901 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 61.057 7.687 -10.188 1.00 0.00 O ATOM 0 H ASP A 82 63.015 5.373 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 82 64.789 6.683 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.539 7.612 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.334 8.746 -9.090 1.00 0.00 H new ATOM 1271 N MET A 83 65.991 6.965 -7.060 1.00 0.00 N ATOM 1272 CA MET A 83 67.017 7.604 -6.224 1.00 0.00 C ATOM 1273 C MET A 83 68.339 6.848 -6.305 1.00 0.00 C ATOM 1274 O MET A 83 68.385 5.639 -6.075 1.00 0.00 O ATOM 1275 CB MET A 83 66.528 7.625 -4.780 1.00 0.00 C ATOM 1276 CG MET A 83 65.313 8.576 -4.642 1.00 0.00 C ATOM 1277 SD MET A 83 63.892 7.676 -3.963 1.00 0.00 S ATOM 1278 CE MET A 83 64.682 7.039 -2.461 1.00 0.00 C ATOM 0 H MET A 83 65.755 6.012 -6.783 1.00 0.00 H new ATOM 0 HA MET A 83 67.185 8.619 -6.584 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.249 6.619 -4.468 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.332 7.952 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.568 9.413 -3.992 1.00 0.00 H new ATOM 0 HG3 MET A 83 65.057 8.995 -5.615 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.970 7.066 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.006 6.012 -2.628 1.00 0.00 H new ATOM 0 HE3 MET A 83 65.546 7.656 -2.215 1.00 0.00 H new ATOM 1288 N VAL A 84 69.412 7.566 -6.625 1.00 0.00 N ATOM 1289 CA VAL A 84 70.735 6.947 -6.731 1.00 0.00 C ATOM 1290 C VAL A 84 71.770 7.756 -5.938 1.00 0.00 C ATOM 1291 O VAL A 84 71.819 8.981 -6.029 1.00 0.00 O ATOM 1292 CB VAL A 84 71.134 6.854 -8.208 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.920 8.210 -8.895 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.606 6.441 -8.308 1.00 0.00 C ATOM 0 H VAL A 84 69.395 8.568 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 84 70.700 5.943 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 84 70.514 6.109 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.206 8.135 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.869 8.492 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.533 8.967 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.894 6.373 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.227 7.184 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.745 5.471 -7.830 1.00 0.00 H new ATOM 1304 N THR A 85 72.581 7.051 -5.142 1.00 0.00 N ATOM 1305 CA THR A 85 73.610 7.682 -4.309 1.00 0.00 C ATOM 1306 C THR A 85 74.955 6.978 -4.516 1.00 0.00 C ATOM 1307 O THR A 85 75.022 5.751 -4.453 1.00 0.00 O ATOM 1308 CB THR A 85 73.194 7.561 -2.835 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.617 6.303 -2.338 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.671 7.657 -2.713 1.00 0.00 C ATOM 0 H THR A 85 72.544 6.035 -5.057 1.00 0.00 H new ATOM 0 HA THR A 85 73.712 8.731 -4.587 1.00 0.00 H new ATOM 0 HB THR A 85 73.654 8.367 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.899 5.734 -3.085 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.384 7.570 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.335 8.618 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.209 6.852 -3.284 1.00 0.00 H new ATOM 1318 N SER A 86 76.025 7.742 -4.762 1.00 0.00 N ATOM 1319 CA SER A 86 77.340 7.130 -4.974 1.00 0.00 C ATOM 1320 C SER A 86 78.480 8.111 -4.725 1.00 0.00 C ATOM 1321 O SER A 86 78.318 9.326 -4.844 1.00 0.00 O ATOM 1322 CB SER A 86 77.445 6.638 -6.410 1.00 0.00 C ATOM 1323 OG SER A 86 77.496 7.761 -7.279 1.00 0.00 O ATOM 0 H SER A 86 76.009 8.760 -4.818 1.00 0.00 H new ATOM 0 HA SER A 86 77.430 6.307 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.338 6.025 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.589 6.009 -6.656 1.00 0.00 H new ATOM 0 HG SER A 86 77.566 7.454 -8.207 1.00 0.00 H new ATOM 1329 N ALA A 87 79.637 7.562 -4.360 1.00 0.00 N ATOM 1330 CA ALA A 87 80.809 8.377 -4.072 1.00 0.00 C ATOM 1331 C ALA A 87 82.083 7.561 -4.242 1.00 0.00 C ATOM 1332 O ALA A 87 82.041 6.340 -4.359 1.00 0.00 O ATOM 1333 CB ALA A 87 80.738 8.911 -2.642 1.00 0.00 C ATOM 0 H ALA A 87 79.785 6.558 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 87 80.825 9.212 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.619 9.519 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.841 9.520 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.703 8.075 -1.943 1.00 0.00 H new ATOM 1339 N PHE A 88 83.216 8.253 -4.269 1.00 0.00 N ATOM 1340 CA PHE A 88 84.506 7.592 -4.441 1.00 0.00 C ATOM 1341 C PHE A 88 85.014 7.023 -3.110 1.00 0.00 C ATOM 1342 O PHE A 88 84.502 7.356 -2.037 1.00 0.00 O ATOM 1343 CB PHE A 88 85.514 8.595 -5.008 1.00 0.00 C ATOM 1344 CG PHE A 88 85.044 9.025 -6.375 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.114 10.063 -6.492 1.00 0.00 C ATOM 1346 CD2 PHE A 88 85.527 8.380 -7.517 1.00 0.00 C ATOM 1347 CE1 PHE A 88 83.662 10.457 -7.752 1.00 0.00 C ATOM 1348 CE2 PHE A 88 85.073 8.774 -8.782 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.141 9.815 -8.899 1.00 0.00 C ATOM 0 H PHE A 88 83.269 9.267 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 88 84.387 6.760 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.601 9.458 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.503 8.142 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 88 83.745 10.560 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 86.248 7.581 -7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 88 82.943 11.257 -7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.441 8.276 -9.667 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.793 10.121 -9.874 1.00 0.00 H new ATOM 1359 N LEU A 89 86.053 6.188 -3.195 1.00 0.00 N ATOM 1360 CA LEU A 89 86.683 5.584 -2.007 1.00 0.00 C ATOM 1361 C LEU A 89 88.166 5.929 -2.014 1.00 0.00 C ATOM 1362 O LEU A 89 88.824 5.806 -3.047 1.00 0.00 O ATOM 1363 CB LEU A 89 86.491 4.057 -2.023 1.00 0.00 C ATOM 1364 CG LEU A 89 87.170 3.381 -0.815 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.740 4.041 0.502 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.757 1.903 -0.782 1.00 0.00 C ATOM 0 H LEU A 89 86.481 5.910 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 89 86.218 5.976 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.426 3.825 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.902 3.649 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 89 88.250 3.484 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.234 3.544 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 89 87.020 5.094 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.660 3.954 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.230 1.412 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.674 1.830 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.073 1.416 -1.705 1.00 0.00 H new ATOM 1378 N THR A 90 88.703 6.348 -0.868 1.00 0.00 N ATOM 1379 CA THR A 90 90.127 6.697 -0.777 1.00 0.00 C ATOM 1380 C THR A 90 90.809 5.861 0.290 1.00 0.00 C ATOM 1381 O THR A 90 90.528 6.007 1.480 1.00 0.00 O ATOM 1382 CB THR A 90 90.278 8.183 -0.443 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.674 8.952 -1.470 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.763 8.547 -0.343 1.00 0.00 C ATOM 0 H THR A 90 88.183 6.454 0.003 1.00 0.00 H new ATOM 0 HA THR A 90 90.598 6.493 -1.738 1.00 0.00 H new ATOM 0 HB THR A 90 89.794 8.391 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.765 9.905 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 90 91.863 9.606 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.231 7.953 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.253 8.341 -1.295 1.00 0.00 H new ATOM 1392 N VAL A 91 91.724 4.993 -0.142 1.00 0.00 N ATOM 1393 CA VAL A 91 92.458 4.136 0.796 1.00 0.00 C ATOM 1394 C VAL A 91 93.960 4.113 0.482 1.00 0.00 C ATOM 1395 O VAL A 91 94.370 3.703 -0.607 1.00 0.00 O ATOM 1396 CB VAL A 91 91.899 2.709 0.697 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.804 1.732 1.464 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.474 2.676 1.275 1.00 0.00 C ATOM 0 H VAL A 91 91.974 4.863 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 91 92.331 4.535 1.802 1.00 0.00 H new ATOM 0 HB VAL A 91 91.870 2.406 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.398 0.723 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.807 1.753 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.850 2.026 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.076 1.664 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.498 2.985 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 89.836 3.356 0.710 1.00 0.00 H new ATOM 1408 N ARG A 92 94.778 4.548 1.453 1.00 0.00 N ATOM 1409 CA ARG A 92 96.237 4.572 1.293 1.00 0.00 C ATOM 1410 C ARG A 92 96.864 3.342 1.954 1.00 0.00 C ATOM 1411 O ARG A 92 96.560 3.022 3.102 1.00 0.00 O ATOM 1412 CB ARG A 92 96.798 5.840 1.958 1.00 0.00 C ATOM 1413 CG ARG A 92 96.209 7.100 1.301 1.00 0.00 C ATOM 1414 CD ARG A 92 96.933 7.415 -0.012 1.00 0.00 C ATOM 1415 NE ARG A 92 96.466 8.698 -0.544 1.00 0.00 N ATOM 1416 CZ ARG A 92 96.365 8.914 -1.852 1.00 0.00 C ATOM 1417 NH1 ARG A 92 97.439 9.125 -2.551 1.00 0.00 N ATOM 1418 NH2 ARG A 92 95.192 8.913 -2.436 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.452 4.888 2.358 1.00 0.00 H new ATOM 0 HA ARG A 92 96.477 4.567 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.562 5.834 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.885 5.852 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 92 95.146 6.953 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 92 96.297 7.946 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 92 98.009 7.451 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.750 6.622 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 92 96.212 9.443 0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 92 98.352 9.124 -2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.370 9.291 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 92 94.349 8.746 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 92 95.122 9.079 -3.440 1.00 0.00 H new