USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 14 SER OG : rot -140:sc= 0 USER MOD Set 1.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 19 ASN : amide:sc= -0.139 K(o=-0.14,f=-1) USER MOD Single : A 21 MET CE :methyl 173:sc= 0 (180deg=-0.0887) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.025) USER MOD Single : A 30 HIS : no HD1:sc= -0.708 X(o=-0.71,f=-0.71) USER MOD Single : A 34 CYS SG : rot 70:sc= -4.86! USER MOD Single : A 35 HIS : no HE2:sc= -5.6! C(o=-5.6!,f=-6.9!) USER MOD Single : A 37 SER OG : rot -140:sc= -0.774 USER MOD Single : A 39 LYS NZ :NH3+ -102:sc= -0.598 (180deg=-1.62!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0799 F(o=-2.2!,f=-0.08) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.308 F(o=-1.7,f=-0.31) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 98:sc= 1.08 USER MOD Single : A 68 THR OG1 : rot 64:sc= -2.12! USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -2.47! (180deg=-3.25!) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 7.373 2.613 26.167 1.00 0.00 N ATOM 84 CA VAL A 6 7.204 3.068 27.571 1.00 0.00 C ATOM 85 C VAL A 6 5.730 3.094 27.954 1.00 0.00 C ATOM 86 O VAL A 6 4.869 3.047 27.099 1.00 0.00 O ATOM 87 CB VAL A 6 7.771 4.492 27.690 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.276 4.415 27.966 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.536 5.239 26.376 1.00 0.00 C ATOM 0 HA VAL A 6 7.727 2.381 28.236 1.00 0.00 H new ATOM 0 HB VAL A 6 7.275 5.018 28.506 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.682 5.423 28.051 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.448 3.875 28.897 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.770 3.893 27.147 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.936 6.250 26.455 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.037 4.713 25.564 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.466 5.288 26.171 1.00 0.00 H new ATOM 99 N ILE A 7 5.466 3.170 29.237 1.00 0.00 N ATOM 100 CA ILE A 7 4.047 3.198 29.694 1.00 0.00 C ATOM 101 C ILE A 7 3.602 4.619 30.014 1.00 0.00 C ATOM 102 O ILE A 7 4.007 5.192 31.007 1.00 0.00 O ATOM 103 CB ILE A 7 3.928 2.355 30.962 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.544 0.984 30.729 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.435 2.175 31.290 1.00 0.00 C ATOM 106 CD1 ILE A 7 3.988 0.397 29.429 1.00 0.00 C ATOM 0 H ILE A 7 6.166 3.213 29.978 1.00 0.00 H new ATOM 0 HA ILE A 7 3.416 2.805 28.897 1.00 0.00 H new ATOM 0 HB ILE A 7 4.447 2.852 31.782 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.629 1.065 30.671 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.318 0.324 31.566 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.331 1.575 32.194 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.977 3.151 31.448 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.938 1.671 30.461 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.426 -0.586 29.257 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.905 0.303 29.506 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.236 1.056 28.597 1.00 0.00 H new ATOM 118 N GLU A 8 2.773 5.161 29.168 1.00 0.00 N ATOM 119 CA GLU A 8 2.288 6.539 29.406 1.00 0.00 C ATOM 120 C GLU A 8 1.233 6.549 30.504 1.00 0.00 C ATOM 121 O GLU A 8 0.194 5.931 30.368 1.00 0.00 O ATOM 122 CB GLU A 8 1.657 7.061 28.103 1.00 0.00 C ATOM 123 CG GLU A 8 2.763 7.327 27.080 1.00 0.00 C ATOM 124 CD GLU A 8 2.160 8.010 25.850 1.00 0.00 C ATOM 125 OE1 GLU A 8 2.910 8.725 25.206 1.00 0.00 O ATOM 126 OE2 GLU A 8 0.985 7.778 25.625 1.00 0.00 O ATOM 0 H GLU A 8 2.414 4.709 28.327 1.00 0.00 H new ATOM 0 HA GLU A 8 3.122 7.169 29.714 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.949 6.331 27.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.097 7.976 28.297 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.536 7.958 27.519 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.241 6.391 26.793 1.00 0.00 H new ATOM 133 N LEU A 9 1.521 7.246 31.578 1.00 0.00 N ATOM 134 CA LEU A 9 0.544 7.307 32.699 1.00 0.00 C ATOM 135 C LEU A 9 0.459 8.716 33.268 1.00 0.00 C ATOM 136 O LEU A 9 1.460 9.383 33.438 1.00 0.00 O ATOM 137 CB LEU A 9 1.023 6.356 33.808 1.00 0.00 C ATOM 138 CG LEU A 9 0.107 5.130 33.847 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.780 4.018 34.656 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.212 5.514 34.519 1.00 0.00 C ATOM 0 H LEU A 9 2.385 7.770 31.722 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.441 7.020 32.330 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.053 6.050 33.622 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.011 6.865 34.772 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.082 4.779 32.832 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.129 3.144 34.685 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.727 3.750 34.188 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.964 4.367 35.672 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.870 4.646 34.551 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.016 5.858 35.534 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.691 6.312 33.951 1.00 0.00 H new ATOM 152 N GLU A 10 -0.740 9.143 33.554 1.00 0.00 N ATOM 153 CA GLU A 10 -0.912 10.503 34.113 1.00 0.00 C ATOM 154 C GLU A 10 -0.811 10.482 35.626 1.00 0.00 C ATOM 155 O GLU A 10 -1.302 9.575 36.271 1.00 0.00 O ATOM 156 CB GLU A 10 -2.302 11.015 33.716 1.00 0.00 C ATOM 157 CG GLU A 10 -2.586 10.609 32.269 1.00 0.00 C ATOM 158 CD GLU A 10 -3.201 9.208 32.244 1.00 0.00 C ATOM 159 OE1 GLU A 10 -3.631 8.823 31.168 1.00 0.00 O ATOM 160 OE2 GLU A 10 -3.206 8.599 33.301 1.00 0.00 O ATOM 0 H GLU A 10 -1.600 8.610 33.424 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.128 11.151 33.722 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.060 10.599 34.380 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.348 12.099 33.819 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.266 11.324 31.806 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.664 10.623 31.688 1.00 0.00 H new ATOM 167 N GLY A 11 -0.176 11.481 36.174 1.00 0.00 N ATOM 168 CA GLY A 11 -0.038 11.525 37.649 1.00 0.00 C ATOM 169 C GLY A 11 -0.010 12.964 38.130 1.00 0.00 C ATOM 170 O GLY A 11 0.043 13.884 37.334 1.00 0.00 O ATOM 0 H GLY A 11 0.248 12.259 35.668 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.868 10.994 38.115 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.877 11.015 37.951 1.00 0.00 H new ATOM 174 N THR A 12 -0.050 13.130 39.425 1.00 0.00 N ATOM 175 CA THR A 12 -0.028 14.495 39.997 1.00 0.00 C ATOM 176 C THR A 12 1.227 14.715 40.814 1.00 0.00 C ATOM 177 O THR A 12 1.562 13.919 41.669 1.00 0.00 O ATOM 178 CB THR A 12 -1.247 14.651 40.909 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.338 14.864 40.040 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.153 15.942 41.737 1.00 0.00 C ATOM 0 H THR A 12 -0.097 12.374 40.108 1.00 0.00 H new ATOM 0 HA THR A 12 -0.047 15.224 39.187 1.00 0.00 H new ATOM 0 HB THR A 12 -1.329 13.784 41.565 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.158 14.971 40.565 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.031 16.029 42.377 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.256 15.913 42.355 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.105 16.801 41.068 1.00 0.00 H new ATOM 188 N VAL A 13 1.899 15.793 40.542 1.00 0.00 N ATOM 189 CA VAL A 13 3.142 16.076 41.303 1.00 0.00 C ATOM 190 C VAL A 13 2.849 16.191 42.788 1.00 0.00 C ATOM 191 O VAL A 13 1.982 16.937 43.197 1.00 0.00 O ATOM 192 CB VAL A 13 3.732 17.399 40.816 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.136 17.567 41.399 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.827 17.368 39.301 1.00 0.00 C ATOM 0 H VAL A 13 1.646 16.483 39.835 1.00 0.00 H new ATOM 0 HA VAL A 13 3.844 15.258 41.143 1.00 0.00 H new ATOM 0 HB VAL A 13 3.098 18.227 41.134 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.562 18.509 41.055 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.080 17.570 42.488 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.768 16.742 41.070 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.247 18.308 38.943 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.470 16.543 38.994 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.832 17.230 38.877 1.00 0.00 H new ATOM 204 N SER A 14 3.582 15.448 43.569 1.00 0.00 N ATOM 205 CA SER A 14 3.366 15.494 45.029 1.00 0.00 C ATOM 206 C SER A 14 4.302 16.492 45.706 1.00 0.00 C ATOM 207 O SER A 14 3.900 17.202 46.606 1.00 0.00 O ATOM 208 CB SER A 14 3.643 14.095 45.600 1.00 0.00 C ATOM 209 OG SER A 14 3.362 14.221 46.986 1.00 0.00 O ATOM 0 H SER A 14 4.317 14.815 43.255 1.00 0.00 H new ATOM 0 HA SER A 14 2.340 15.809 45.219 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.009 13.342 45.132 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.676 13.793 45.429 1.00 0.00 H new ATOM 0 HG SER A 14 4.028 13.721 47.502 1.00 0.00 H new ATOM 215 N GLU A 15 5.535 16.537 45.268 1.00 0.00 N ATOM 216 CA GLU A 15 6.483 17.496 45.903 1.00 0.00 C ATOM 217 C GLU A 15 7.638 17.845 44.971 1.00 0.00 C ATOM 218 O GLU A 15 7.947 17.109 44.054 1.00 0.00 O ATOM 219 CB GLU A 15 7.050 16.844 47.177 1.00 0.00 C ATOM 220 CG GLU A 15 7.647 17.932 48.079 1.00 0.00 C ATOM 221 CD GLU A 15 8.123 17.302 49.393 1.00 0.00 C ATOM 222 OE1 GLU A 15 8.979 16.437 49.300 1.00 0.00 O ATOM 223 OE2 GLU A 15 7.607 17.724 50.415 1.00 0.00 O ATOM 0 H GLU A 15 5.918 15.965 44.516 1.00 0.00 H new ATOM 0 HA GLU A 15 5.945 18.416 46.133 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.263 16.308 47.707 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.814 16.112 46.916 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.481 18.421 47.575 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.902 18.701 48.281 1.00 0.00 H new ATOM 230 N ALA A 16 8.260 18.972 45.231 1.00 0.00 N ATOM 231 CA ALA A 16 9.401 19.401 44.380 1.00 0.00 C ATOM 232 C ALA A 16 10.731 19.068 45.045 1.00 0.00 C ATOM 233 O ALA A 16 10.990 19.485 46.159 1.00 0.00 O ATOM 234 CB ALA A 16 9.312 20.925 44.184 1.00 0.00 C ATOM 0 H ALA A 16 8.023 19.606 45.994 1.00 0.00 H new ATOM 0 HA ALA A 16 9.350 18.878 43.425 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.141 21.261 43.561 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.369 21.175 43.698 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.363 21.420 45.154 1.00 0.00 H new ATOM 240 N LEU A 17 11.553 18.321 44.339 1.00 0.00 N ATOM 241 CA LEU A 17 12.881 17.935 44.896 1.00 0.00 C ATOM 242 C LEU A 17 14.021 18.468 44.014 1.00 0.00 C ATOM 243 O LEU A 17 13.869 18.604 42.819 1.00 0.00 O ATOM 244 CB LEU A 17 12.955 16.407 44.909 1.00 0.00 C ATOM 245 CG LEU A 17 11.648 15.864 45.466 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.650 14.341 45.360 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.523 16.268 46.926 1.00 0.00 C ATOM 0 H LEU A 17 11.356 17.966 43.403 1.00 0.00 H new ATOM 0 HA LEU A 17 12.988 18.354 45.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.124 16.028 43.901 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.794 16.074 45.520 1.00 0.00 H new ATOM 0 HG LEU A 17 10.809 16.268 44.900 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.715 13.947 45.758 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.751 14.049 44.315 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.486 13.938 45.931 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.588 15.882 47.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.360 15.857 47.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.531 17.355 47.005 1.00 0.00 H new ATOM 259 N PRO A 18 15.155 18.762 44.628 1.00 0.00 N ATOM 260 CA PRO A 18 16.308 19.275 43.889 1.00 0.00 C ATOM 261 C PRO A 18 16.749 18.294 42.811 1.00 0.00 C ATOM 262 O PRO A 18 16.161 17.244 42.643 1.00 0.00 O ATOM 263 CB PRO A 18 17.424 19.421 44.949 1.00 0.00 C ATOM 264 CG PRO A 18 16.838 18.938 46.312 1.00 0.00 C ATOM 265 CD PRO A 18 15.357 18.600 46.076 1.00 0.00 C ATOM 0 HA PRO A 18 16.076 20.213 43.386 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.295 18.827 44.674 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.754 20.457 45.019 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.379 18.064 46.675 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.939 19.714 47.071 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.129 17.583 46.395 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.705 19.265 46.642 1.00 0.00 H new ATOM 273 N ASN A 19 17.772 18.659 42.098 1.00 0.00 N ATOM 274 CA ASN A 19 18.276 17.772 41.026 1.00 0.00 C ATOM 275 C ASN A 19 17.343 17.769 39.811 1.00 0.00 C ATOM 276 O ASN A 19 17.397 16.877 38.988 1.00 0.00 O ATOM 277 CB ASN A 19 18.377 16.341 41.587 1.00 0.00 C ATOM 278 CG ASN A 19 19.691 15.698 41.125 1.00 0.00 C ATOM 279 OD1 ASN A 19 20.722 16.339 41.066 1.00 0.00 O ATOM 280 ND2 ASN A 19 19.697 14.436 40.792 1.00 0.00 N ATOM 0 H ASN A 19 18.281 19.536 42.213 1.00 0.00 H new ATOM 0 HA ASN A 19 19.250 18.137 40.700 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.334 16.363 42.676 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.530 15.746 41.247 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.563 13.994 40.485 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.835 13.892 40.839 1.00 0.00 H new ATOM 287 N ALA A 20 16.508 18.769 39.723 1.00 0.00 N ATOM 288 CA ALA A 20 15.567 18.843 38.572 1.00 0.00 C ATOM 289 C ALA A 20 14.617 17.644 38.544 1.00 0.00 C ATOM 290 O ALA A 20 14.350 17.084 37.494 1.00 0.00 O ATOM 291 CB ALA A 20 16.396 18.853 37.277 1.00 0.00 C ATOM 0 H ALA A 20 16.438 19.533 40.395 1.00 0.00 H new ATOM 0 HA ALA A 20 14.965 19.747 38.667 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.728 18.907 36.418 1.00 0.00 H new ATOM 0 HB2 ALA A 20 17.059 19.718 37.276 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.990 17.941 37.218 1.00 0.00 H new ATOM 297 N MET A 21 14.111 17.285 39.698 1.00 0.00 N ATOM 298 CA MET A 21 13.189 16.143 39.776 1.00 0.00 C ATOM 299 C MET A 21 12.095 16.432 40.791 1.00 0.00 C ATOM 300 O MET A 21 12.112 17.444 41.457 1.00 0.00 O ATOM 301 CB MET A 21 13.985 14.911 40.249 1.00 0.00 C ATOM 302 CG MET A 21 14.881 14.412 39.110 1.00 0.00 C ATOM 303 SD MET A 21 16.255 13.318 39.550 1.00 0.00 S ATOM 304 CE MET A 21 15.268 11.992 40.282 1.00 0.00 C ATOM 0 H MET A 21 14.307 17.745 40.587 1.00 0.00 H new ATOM 0 HA MET A 21 12.739 15.965 38.799 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.592 15.168 41.117 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.302 14.121 40.561 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.251 13.889 38.390 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.293 15.282 38.600 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.913 11.144 40.514 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.797 12.351 41.197 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.498 11.680 39.577 1.00 0.00 H new ATOM 314 N PHE A 22 11.161 15.551 40.878 1.00 0.00 N ATOM 315 CA PHE A 22 10.056 15.752 41.842 1.00 0.00 C ATOM 316 C PHE A 22 9.320 14.441 42.128 1.00 0.00 C ATOM 317 O PHE A 22 9.504 13.455 41.444 1.00 0.00 O ATOM 318 CB PHE A 22 9.050 16.783 41.278 1.00 0.00 C ATOM 319 CG PHE A 22 9.031 16.770 39.743 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.312 15.621 39.029 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.690 17.920 39.049 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.253 15.623 37.652 1.00 0.00 C ATOM 323 CE2 PHE A 22 8.631 17.915 37.674 1.00 0.00 C ATOM 324 CZ PHE A 22 8.912 16.766 36.980 1.00 0.00 C ATOM 0 H PHE A 22 11.109 14.696 40.324 1.00 0.00 H new ATOM 0 HA PHE A 22 10.488 16.118 42.773 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.052 16.564 41.657 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.313 17.780 41.631 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.580 14.715 39.553 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.469 18.827 39.591 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.476 14.721 37.102 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.363 18.816 37.142 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.864 16.763 35.901 1.00 0.00 H new ATOM 334 N LYS A 23 8.522 14.450 43.161 1.00 0.00 N ATOM 335 CA LYS A 23 7.765 13.223 43.515 1.00 0.00 C ATOM 336 C LYS A 23 6.343 13.331 42.984 1.00 0.00 C ATOM 337 O LYS A 23 5.691 14.329 43.192 1.00 0.00 O ATOM 338 CB LYS A 23 7.720 13.110 45.048 1.00 0.00 C ATOM 339 CG LYS A 23 6.909 11.874 45.439 1.00 0.00 C ATOM 340 CD LYS A 23 6.681 11.881 46.953 1.00 0.00 C ATOM 341 CE LYS A 23 5.861 10.648 47.344 1.00 0.00 C ATOM 342 NZ LYS A 23 4.409 10.886 47.102 1.00 0.00 N ATOM 0 H LYS A 23 8.364 15.252 43.771 1.00 0.00 H new ATOM 0 HA LYS A 23 8.247 12.348 43.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.731 13.038 45.449 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.270 14.005 45.477 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.953 11.871 44.915 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.438 10.968 45.143 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.637 11.878 47.477 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.158 12.790 47.250 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.195 9.785 46.768 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.026 10.413 48.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.869 10.040 47.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.091 11.697 47.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.254 11.088 46.094 1.00 0.00 H new ATOM 356 N VAL A 24 5.891 12.300 42.302 1.00 0.00 N ATOM 357 CA VAL A 24 4.505 12.329 41.744 1.00 0.00 C ATOM 358 C VAL A 24 3.662 11.201 42.303 1.00 0.00 C ATOM 359 O VAL A 24 4.171 10.152 42.644 1.00 0.00 O ATOM 360 CB VAL A 24 4.600 12.159 40.216 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.191 12.081 39.614 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.331 13.364 39.626 1.00 0.00 C ATOM 0 H VAL A 24 6.420 11.449 42.111 1.00 0.00 H new ATOM 0 HA VAL A 24 4.037 13.275 42.014 1.00 0.00 H new ATOM 0 HB VAL A 24 5.142 11.242 39.985 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.263 11.961 38.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.660 11.229 40.039 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.647 12.998 39.842 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.403 13.252 38.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.780 14.275 39.861 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.333 13.426 40.052 1.00 0.00 H new ATOM 372 N LYS A 25 2.377 11.450 42.388 1.00 0.00 N ATOM 373 CA LYS A 25 1.450 10.413 42.922 1.00 0.00 C ATOM 374 C LYS A 25 0.354 10.120 41.922 1.00 0.00 C ATOM 375 O LYS A 25 -0.486 10.953 41.648 1.00 0.00 O ATOM 376 CB LYS A 25 0.813 10.929 44.220 1.00 0.00 C ATOM 377 CG LYS A 25 -0.439 10.101 44.529 1.00 0.00 C ATOM 378 CD LYS A 25 -0.948 10.466 45.926 1.00 0.00 C ATOM 379 CE LYS A 25 -1.609 9.241 46.560 1.00 0.00 C ATOM 380 NZ LYS A 25 -2.009 9.534 47.965 1.00 0.00 N ATOM 0 H LYS A 25 1.934 12.326 42.110 1.00 0.00 H new ATOM 0 HA LYS A 25 2.014 9.500 43.112 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.524 10.856 45.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.551 11.982 44.117 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.211 10.295 43.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.208 9.037 44.479 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.122 10.810 46.548 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.662 11.287 45.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.485 8.951 45.979 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.920 8.397 46.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.456 8.692 48.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.167 9.789 48.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.683 10.326 47.976 1.00 0.00 H new ATOM 394 N LEU A 26 0.386 8.941 41.385 1.00 0.00 N ATOM 395 CA LEU A 26 -0.634 8.563 40.402 1.00 0.00 C ATOM 396 C LEU A 26 -1.989 8.389 41.062 1.00 0.00 C ATOM 397 O LEU A 26 -2.089 7.839 42.139 1.00 0.00 O ATOM 398 CB LEU A 26 -0.220 7.225 39.788 1.00 0.00 C ATOM 399 CG LEU A 26 1.124 7.390 39.081 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.258 6.969 40.018 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.142 6.494 37.847 1.00 0.00 C ATOM 0 H LEU A 26 1.082 8.224 41.590 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.713 9.346 39.648 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.145 6.463 40.564 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.977 6.886 39.081 1.00 0.00 H new ATOM 0 HG LEU A 26 1.260 8.433 38.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.214 7.089 39.509 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.242 7.593 40.912 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.126 5.925 40.302 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.097 6.602 37.333 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.009 5.455 38.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.333 6.783 37.176 1.00 0.00 H new ATOM 413 N GLU A 27 -3.010 8.873 40.412 1.00 0.00 N ATOM 414 CA GLU A 27 -4.362 8.735 40.996 1.00 0.00 C ATOM 415 C GLU A 27 -4.559 7.304 41.474 1.00 0.00 C ATOM 416 O GLU A 27 -5.466 7.010 42.230 1.00 0.00 O ATOM 417 CB GLU A 27 -5.401 9.050 39.905 1.00 0.00 C ATOM 418 CG GLU A 27 -6.413 10.064 40.448 1.00 0.00 C ATOM 419 CD GLU A 27 -7.545 10.243 39.434 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.638 9.388 38.568 1.00 0.00 O ATOM 421 OE2 GLU A 27 -8.254 11.225 39.582 1.00 0.00 O ATOM 0 H GLU A 27 -2.964 9.352 39.513 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.479 9.419 41.837 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.906 9.451 39.020 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.912 8.137 39.599 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.814 9.719 41.401 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.923 11.019 40.635 1.00 0.00 H new ATOM 428 N ASN A 28 -3.692 6.436 41.013 1.00 0.00 N ATOM 429 CA ASN A 28 -3.785 5.015 41.413 1.00 0.00 C ATOM 430 C ASN A 28 -3.526 4.870 42.907 1.00 0.00 C ATOM 431 O ASN A 28 -3.829 3.852 43.499 1.00 0.00 O ATOM 432 CB ASN A 28 -2.708 4.228 40.642 1.00 0.00 C ATOM 433 CG ASN A 28 -3.130 4.081 39.177 1.00 0.00 C ATOM 434 OD1 ASN A 28 -2.356 4.316 38.269 1.00 0.00 O ATOM 435 ND2 ASN A 28 -4.346 3.694 38.902 1.00 0.00 N ATOM 0 H ASN A 28 -2.927 6.659 40.377 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.782 4.636 41.188 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.750 4.745 40.705 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.570 3.245 41.092 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.641 3.591 37.931 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.001 3.495 39.658 1.00 0.00 H new ATOM 442 N GLY A 29 -2.959 5.899 43.488 1.00 0.00 N ATOM 443 CA GLY A 29 -2.663 5.858 44.949 1.00 0.00 C ATOM 444 C GLY A 29 -1.170 5.622 45.210 1.00 0.00 C ATOM 445 O GLY A 29 -0.714 5.768 46.328 1.00 0.00 O ATOM 0 H GLY A 29 -2.690 6.761 43.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.971 6.796 45.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.246 5.065 45.418 1.00 0.00 H new ATOM 449 N HIS A 30 -0.434 5.270 44.178 1.00 0.00 N ATOM 450 CA HIS A 30 1.023 5.028 44.377 1.00 0.00 C ATOM 451 C HIS A 30 1.844 6.236 43.988 1.00 0.00 C ATOM 452 O HIS A 30 1.326 7.189 43.438 1.00 0.00 O ATOM 453 CB HIS A 30 1.435 3.846 43.502 1.00 0.00 C ATOM 454 CG HIS A 30 0.304 2.828 43.500 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.471 2.626 42.547 1.00 0.00 N ATOM 456 CD2 HIS A 30 -0.110 1.975 44.501 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.331 1.742 42.827 1.00 0.00 C ATOM 458 NE2 HIS A 30 -1.180 1.262 44.062 1.00 0.00 N ATOM 0 H HIS A 30 -0.777 5.143 43.226 1.00 0.00 H new ATOM 0 HA HIS A 30 1.203 4.823 45.432 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.644 4.182 42.486 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.351 3.394 43.883 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.343 1.888 45.477 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.100 1.413 42.144 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.724 0.549 44.548 1.00 0.00 H new ATOM 466 N GLU A 31 3.124 6.171 44.284 1.00 0.00 N ATOM 467 CA GLU A 31 4.018 7.297 43.948 1.00 0.00 C ATOM 468 C GLU A 31 5.199 6.842 43.120 1.00 0.00 C ATOM 469 O GLU A 31 5.567 5.685 43.123 1.00 0.00 O ATOM 470 CB GLU A 31 4.536 7.908 45.258 1.00 0.00 C ATOM 471 CG GLU A 31 5.341 6.854 46.016 1.00 0.00 C ATOM 472 CD GLU A 31 6.821 6.996 45.662 1.00 0.00 C ATOM 473 OE1 GLU A 31 7.278 8.126 45.696 1.00 0.00 O ATOM 474 OE2 GLU A 31 7.411 5.969 45.377 1.00 0.00 O ATOM 0 H GLU A 31 3.576 5.381 44.744 1.00 0.00 H new ATOM 0 HA GLU A 31 3.456 8.026 43.364 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.159 8.777 45.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.701 8.254 45.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.199 6.975 47.090 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.988 5.856 45.758 1.00 0.00 H new ATOM 481 N ILE A 32 5.770 7.775 42.419 1.00 0.00 N ATOM 482 CA ILE A 32 6.935 7.455 41.567 1.00 0.00 C ATOM 483 C ILE A 32 7.823 8.679 41.412 1.00 0.00 C ATOM 484 O ILE A 32 7.369 9.795 41.574 1.00 0.00 O ATOM 485 CB ILE A 32 6.420 7.037 40.201 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.522 5.813 40.336 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.611 6.670 39.297 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.129 5.320 38.944 1.00 0.00 C ATOM 0 H ILE A 32 5.476 8.751 42.401 1.00 0.00 H new ATOM 0 HA ILE A 32 7.517 6.654 42.023 1.00 0.00 H new ATOM 0 HB ILE A 32 5.856 7.863 39.769 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.042 5.025 40.880 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.630 6.063 40.911 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.244 6.370 38.316 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.267 7.534 39.190 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.167 5.846 39.744 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.486 4.444 39.036 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.593 6.109 38.416 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.026 5.054 38.385 1.00 0.00 H new ATOM 500 N LEU A 33 9.072 8.457 41.105 1.00 0.00 N ATOM 501 CA LEU A 33 9.987 9.597 40.940 1.00 0.00 C ATOM 502 C LEU A 33 10.032 9.993 39.479 1.00 0.00 C ATOM 503 O LEU A 33 10.091 9.136 38.618 1.00 0.00 O ATOM 504 CB LEU A 33 11.385 9.161 41.399 1.00 0.00 C ATOM 505 CG LEU A 33 11.458 9.278 42.922 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.238 8.586 43.536 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.735 8.595 43.423 1.00 0.00 C ATOM 0 H LEU A 33 9.487 7.536 40.964 1.00 0.00 H new ATOM 0 HA LEU A 33 9.647 10.448 41.530 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.582 8.135 41.089 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.148 9.786 40.935 1.00 0.00 H new ATOM 0 HG LEU A 33 11.470 10.329 43.211 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.283 8.665 44.622 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.328 9.065 43.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.233 7.535 43.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.790 8.677 44.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.720 7.543 43.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.605 9.079 42.978 1.00 0.00 H new ATOM 519 N CYS A 34 9.996 11.281 39.214 1.00 0.00 N ATOM 520 CA CYS A 34 10.035 11.724 37.794 1.00 0.00 C ATOM 521 C CYS A 34 11.032 12.838 37.568 1.00 0.00 C ATOM 522 O CYS A 34 11.318 13.613 38.454 1.00 0.00 O ATOM 523 CB CYS A 34 8.643 12.233 37.417 1.00 0.00 C ATOM 524 SG CYS A 34 7.275 11.060 37.546 1.00 0.00 S ATOM 0 H CYS A 34 9.942 12.026 39.909 1.00 0.00 H new ATOM 0 HA CYS A 34 10.339 10.876 37.181 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.414 13.091 38.049 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.682 12.595 36.390 1.00 0.00 H new ATOM 0 HG CYS A 34 7.038 10.806 38.799 1.00 0.00 H new ATOM 530 N HIS A 35 11.553 12.880 36.364 1.00 0.00 N ATOM 531 CA HIS A 35 12.542 13.928 36.015 1.00 0.00 C ATOM 532 C HIS A 35 12.007 14.792 34.882 1.00 0.00 C ATOM 533 O HIS A 35 11.113 14.388 34.163 1.00 0.00 O ATOM 534 CB HIS A 35 13.840 13.244 35.547 1.00 0.00 C ATOM 535 CG HIS A 35 13.644 11.726 35.522 1.00 0.00 C ATOM 536 ND1 HIS A 35 13.661 11.024 34.491 1.00 0.00 N ATOM 537 CD2 HIS A 35 13.429 10.844 36.565 1.00 0.00 C ATOM 538 CE1 HIS A 35 13.482 9.799 34.758 1.00 0.00 C ATOM 539 NE2 HIS A 35 13.322 9.582 36.065 1.00 0.00 N ATOM 0 H HIS A 35 11.330 12.228 35.612 1.00 0.00 H new ATOM 0 HA HIS A 35 12.731 14.554 36.887 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.113 13.601 34.554 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.661 13.503 36.216 1.00 0.00 H new ATOM 0 HD1 HIS A 35 13.802 11.391 33.550 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.357 11.113 37.609 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.461 9.018 34.012 1.00 0.00 H new ATOM 547 N ILE A 36 12.560 15.963 34.740 1.00 0.00 N ATOM 548 CA ILE A 36 12.092 16.857 33.661 1.00 0.00 C ATOM 549 C ILE A 36 12.899 16.658 32.390 1.00 0.00 C ATOM 550 O ILE A 36 14.099 16.476 32.431 1.00 0.00 O ATOM 551 CB ILE A 36 12.246 18.294 34.133 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.049 18.659 34.989 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.280 19.220 32.904 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.478 19.671 36.054 1.00 0.00 C ATOM 0 H ILE A 36 13.311 16.333 35.323 1.00 0.00 H new ATOM 0 HA ILE A 36 11.050 16.628 33.437 1.00 0.00 H new ATOM 0 HB ILE A 36 13.165 18.403 34.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.258 19.080 34.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.641 17.766 35.463 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.390 20.254 33.231 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.122 18.949 32.267 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.352 19.114 32.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.619 19.936 36.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.254 19.232 36.681 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.866 20.567 35.569 1.00 0.00 H new ATOM 566 N SER A 37 12.218 16.699 31.279 1.00 0.00 N ATOM 567 CA SER A 37 12.912 16.516 29.991 1.00 0.00 C ATOM 568 C SER A 37 13.477 17.832 29.485 1.00 0.00 C ATOM 569 O SER A 37 13.466 18.826 30.183 1.00 0.00 O ATOM 570 CB SER A 37 11.902 15.988 28.965 1.00 0.00 C ATOM 571 OG SER A 37 11.944 14.579 29.131 1.00 0.00 O ATOM 0 H SER A 37 11.212 16.852 31.215 1.00 0.00 H new ATOM 0 HA SER A 37 13.734 15.814 30.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.903 16.382 29.151 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.176 16.278 27.951 1.00 0.00 H new ATOM 0 HG SER A 37 11.897 14.145 28.254 1.00 0.00 H new ATOM 577 N GLY A 38 13.960 17.815 28.276 1.00 0.00 N ATOM 578 CA GLY A 38 14.534 19.059 27.699 1.00 0.00 C ATOM 579 C GLY A 38 13.432 19.980 27.158 1.00 0.00 C ATOM 580 O GLY A 38 13.701 21.097 26.767 1.00 0.00 O ATOM 0 H GLY A 38 13.982 16.998 27.665 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.109 19.585 28.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.226 18.805 26.896 1.00 0.00 H new ATOM 584 N LYS A 39 12.214 19.503 27.149 1.00 0.00 N ATOM 585 CA LYS A 39 11.118 20.358 26.634 1.00 0.00 C ATOM 586 C LYS A 39 10.738 21.426 27.637 1.00 0.00 C ATOM 587 O LYS A 39 10.860 22.604 27.365 1.00 0.00 O ATOM 588 CB LYS A 39 9.889 19.469 26.345 1.00 0.00 C ATOM 589 CG LYS A 39 8.713 20.341 25.862 1.00 0.00 C ATOM 590 CD LYS A 39 8.944 20.749 24.402 1.00 0.00 C ATOM 591 CE LYS A 39 8.952 19.499 23.525 1.00 0.00 C ATOM 592 NZ LYS A 39 10.350 19.113 23.186 1.00 0.00 N ATOM 0 H LYS A 39 11.939 18.575 27.471 1.00 0.00 H new ATOM 0 HA LYS A 39 11.458 20.852 25.724 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.137 18.726 25.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.604 18.924 27.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.777 19.790 25.953 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.623 21.228 26.489 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.160 21.432 24.075 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.891 21.281 24.306 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.457 18.679 24.045 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.387 19.684 22.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.568 19.415 22.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.007 19.574 23.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.452 18.081 23.259 1.00 0.00 H new ATOM 606 N LEU A 40 10.282 21.010 28.776 1.00 0.00 N ATOM 607 CA LEU A 40 9.898 22.004 29.793 1.00 0.00 C ATOM 608 C LEU A 40 11.070 22.895 30.072 1.00 0.00 C ATOM 609 O LEU A 40 10.929 23.994 30.570 1.00 0.00 O ATOM 610 CB LEU A 40 9.502 21.260 31.075 1.00 0.00 C ATOM 611 CG LEU A 40 8.567 20.111 30.706 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.311 18.793 30.835 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.367 20.096 31.661 1.00 0.00 C ATOM 0 H LEU A 40 10.160 20.033 29.043 1.00 0.00 H new ATOM 0 HA LEU A 40 9.061 22.607 29.440 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.389 20.878 31.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.009 21.940 31.769 1.00 0.00 H new ATOM 0 HG LEU A 40 8.222 20.246 29.681 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.644 17.972 30.572 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.170 18.793 30.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.653 18.667 31.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.701 19.275 31.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.718 19.962 32.684 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.828 21.040 31.583 1.00 0.00 H new ATOM 625 N ARG A 41 12.218 22.399 29.742 1.00 0.00 N ATOM 626 CA ARG A 41 13.438 23.191 29.970 1.00 0.00 C ATOM 627 C ARG A 41 13.524 24.288 28.932 1.00 0.00 C ATOM 628 O ARG A 41 13.931 25.396 29.218 1.00 0.00 O ATOM 629 CB ARG A 41 14.656 22.272 29.824 1.00 0.00 C ATOM 630 CG ARG A 41 14.784 21.403 31.077 1.00 0.00 C ATOM 631 CD ARG A 41 15.434 22.219 32.200 1.00 0.00 C ATOM 632 NE ARG A 41 16.025 21.278 33.189 1.00 0.00 N ATOM 633 CZ ARG A 41 16.846 21.727 34.097 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.909 23.013 34.316 1.00 0.00 N ATOM 635 NH2 ARG A 41 17.579 20.875 34.755 1.00 0.00 N ATOM 0 H ARG A 41 12.362 21.480 29.325 1.00 0.00 H new ATOM 0 HA ARG A 41 13.414 23.630 30.967 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.548 21.643 28.940 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.560 22.865 29.685 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.801 21.051 31.391 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.385 20.520 30.860 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.205 22.874 31.794 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.693 22.858 32.681 1.00 0.00 H new ATOM 0 HE ARG A 41 15.789 20.286 33.157 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.321 23.651 33.780 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.546 23.379 35.023 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.504 19.877 34.556 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.228 21.205 35.469 1.00 0.00 H new ATOM 649 N MET A 42 13.131 23.952 27.733 1.00 0.00 N ATOM 650 CA MET A 42 13.170 24.942 26.645 1.00 0.00 C ATOM 651 C MET A 42 12.085 25.987 26.850 1.00 0.00 C ATOM 652 O MET A 42 12.228 27.123 26.441 1.00 0.00 O ATOM 653 CB MET A 42 12.920 24.211 25.315 1.00 0.00 C ATOM 654 CG MET A 42 13.327 25.120 24.153 1.00 0.00 C ATOM 655 SD MET A 42 14.963 25.889 24.233 1.00 0.00 S ATOM 656 CE MET A 42 15.924 24.419 23.800 1.00 0.00 C ATOM 0 H MET A 42 12.785 23.029 27.470 1.00 0.00 H new ATOM 0 HA MET A 42 14.141 25.437 26.635 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.492 23.284 25.284 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.868 23.940 25.228 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.273 24.537 23.234 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.585 25.914 24.070 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.985 24.668 23.790 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.742 23.636 24.536 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.624 24.066 22.813 1.00 0.00 H new ATOM 666 N ASN A 43 11.006 25.584 27.482 1.00 0.00 N ATOM 667 CA ASN A 43 9.906 26.548 27.719 1.00 0.00 C ATOM 668 C ASN A 43 10.258 27.480 28.869 1.00 0.00 C ATOM 669 O ASN A 43 9.965 28.660 28.834 1.00 0.00 O ATOM 670 CB ASN A 43 8.641 25.758 28.082 1.00 0.00 C ATOM 671 CG ASN A 43 8.046 25.144 26.812 1.00 0.00 C ATOM 672 OD1 ASN A 43 8.828 24.911 25.793 1.00 0.00 O flip ATOM 673 ND2 ASN A 43 6.865 24.870 26.737 1.00 0.00 N flip ATOM 0 H ASN A 43 10.849 24.640 27.836 1.00 0.00 H new ATOM 0 HA ASN A 43 9.745 27.144 26.821 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.881 24.974 28.800 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.913 26.414 28.558 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.248 25.049 27.530 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.490 24.460 25.882 1.00 0.00 H new ATOM 680 N PHE A 44 10.885 26.930 29.873 1.00 0.00 N ATOM 681 CA PHE A 44 11.269 27.760 31.039 1.00 0.00 C ATOM 682 C PHE A 44 10.030 28.347 31.737 1.00 0.00 C ATOM 683 O PHE A 44 9.703 29.507 31.565 1.00 0.00 O ATOM 684 CB PHE A 44 12.173 28.903 30.521 1.00 0.00 C ATOM 685 CG PHE A 44 13.200 29.274 31.591 1.00 0.00 C ATOM 686 CD1 PHE A 44 14.518 29.513 31.240 1.00 0.00 C ATOM 687 CD2 PHE A 44 12.830 29.381 32.919 1.00 0.00 C ATOM 688 CE1 PHE A 44 15.446 29.855 32.199 1.00 0.00 C ATOM 689 CE2 PHE A 44 13.762 29.723 33.878 1.00 0.00 C ATOM 690 CZ PHE A 44 15.069 29.960 33.517 1.00 0.00 C ATOM 0 H PHE A 44 11.145 25.945 29.932 1.00 0.00 H new ATOM 0 HA PHE A 44 11.795 27.146 31.771 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.681 28.592 29.608 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.567 29.773 30.268 1.00 0.00 H new ATOM 0 HD1 PHE A 44 14.821 29.431 30.207 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.806 29.196 33.208 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.471 30.041 31.915 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.465 29.805 34.913 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.797 30.228 34.268 1.00 0.00 H new ATOM 700 N ILE A 45 9.360 27.519 32.515 1.00 0.00 N ATOM 701 CA ILE A 45 8.150 27.990 33.233 1.00 0.00 C ATOM 702 C ILE A 45 8.280 27.744 34.727 1.00 0.00 C ATOM 703 O ILE A 45 9.365 27.747 35.271 1.00 0.00 O ATOM 704 CB ILE A 45 6.935 27.208 32.732 1.00 0.00 C ATOM 705 CG1 ILE A 45 7.084 26.852 31.248 1.00 0.00 C ATOM 706 CG2 ILE A 45 5.689 28.098 32.908 1.00 0.00 C ATOM 707 CD1 ILE A 45 7.253 25.336 31.112 1.00 0.00 C ATOM 0 H ILE A 45 9.607 26.543 32.676 1.00 0.00 H new ATOM 0 HA ILE A 45 8.035 29.058 33.048 1.00 0.00 H new ATOM 0 HB ILE A 45 6.845 26.282 33.300 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.208 27.184 30.692 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.946 27.366 30.822 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.807 27.562 32.557 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.567 28.348 33.962 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.811 29.014 32.329 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.360 25.075 30.059 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.142 25.019 31.656 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.377 24.834 31.524 1.00 0.00 H new ATOM 719 N ARG A 46 7.163 27.535 35.360 1.00 0.00 N ATOM 720 CA ARG A 46 7.184 27.284 36.815 1.00 0.00 C ATOM 721 C ARG A 46 6.024 26.371 37.222 1.00 0.00 C ATOM 722 O ARG A 46 4.903 26.816 37.390 1.00 0.00 O ATOM 723 CB ARG A 46 7.051 28.639 37.544 1.00 0.00 C ATOM 724 CG ARG A 46 8.212 28.797 38.528 1.00 0.00 C ATOM 725 CD ARG A 46 7.806 29.776 39.631 1.00 0.00 C ATOM 726 NE ARG A 46 8.958 29.963 40.555 1.00 0.00 N ATOM 727 CZ ARG A 46 8.999 29.291 41.673 1.00 0.00 C ATOM 728 NH1 ARG A 46 9.821 29.677 42.609 1.00 0.00 N ATOM 729 NH2 ARG A 46 8.216 28.257 41.815 1.00 0.00 N ATOM 0 H ARG A 46 6.239 27.528 34.929 1.00 0.00 H new ATOM 0 HA ARG A 46 8.119 26.792 37.085 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.057 29.456 36.822 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.100 28.688 38.074 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.472 27.831 38.960 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.098 29.163 38.008 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.511 30.732 39.198 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.943 29.393 40.176 1.00 0.00 H new ATOM 0 HE ARG A 46 9.709 30.611 40.316 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.417 30.491 42.460 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.868 29.165 43.490 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.586 27.987 41.060 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.234 27.719 42.681 1.00 0.00 H new ATOM 743 N ILE A 47 6.314 25.105 37.364 1.00 0.00 N ATOM 744 CA ILE A 47 5.243 24.152 37.757 1.00 0.00 C ATOM 745 C ILE A 47 5.201 23.978 39.270 1.00 0.00 C ATOM 746 O ILE A 47 6.177 23.586 39.879 1.00 0.00 O ATOM 747 CB ILE A 47 5.542 22.797 37.117 1.00 0.00 C ATOM 748 CG1 ILE A 47 5.759 22.967 35.621 1.00 0.00 C ATOM 749 CG2 ILE A 47 4.329 21.876 37.335 1.00 0.00 C ATOM 750 CD1 ILE A 47 7.259 23.060 35.339 1.00 0.00 C ATOM 0 H ILE A 47 7.238 24.695 37.226 1.00 0.00 H new ATOM 0 HA ILE A 47 4.282 24.541 37.422 1.00 0.00 H new ATOM 0 HB ILE A 47 6.438 22.371 37.568 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.327 22.125 35.081 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.254 23.866 35.268 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.525 20.903 36.884 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.154 21.752 38.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.448 22.319 36.872 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.421 23.182 34.268 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.676 23.916 35.869 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.750 22.148 35.679 1.00 0.00 H new ATOM 762 N LEU A 48 4.065 24.270 39.848 1.00 0.00 N ATOM 763 CA LEU A 48 3.938 24.129 41.321 1.00 0.00 C ATOM 764 C LEU A 48 3.318 22.787 41.688 1.00 0.00 C ATOM 765 O LEU A 48 2.367 22.349 41.070 1.00 0.00 O ATOM 766 CB LEU A 48 3.023 25.249 41.837 1.00 0.00 C ATOM 767 CG LEU A 48 3.793 26.572 41.825 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.339 26.831 40.418 1.00 0.00 C ATOM 769 CD2 LEU A 48 2.844 27.706 42.214 1.00 0.00 C ATOM 0 H LEU A 48 3.228 24.597 39.365 1.00 0.00 H new ATOM 0 HA LEU A 48 4.930 24.190 41.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.134 25.326 41.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.683 25.021 42.847 1.00 0.00 H new ATOM 0 HG LEU A 48 4.620 26.522 42.533 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.887 27.773 40.408 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.007 26.019 40.132 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.511 26.886 39.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.386 28.652 42.208 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.022 27.754 41.500 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.447 27.522 43.212 1.00 0.00 H new ATOM 781 N GLU A 49 3.871 22.156 42.688 1.00 0.00 N ATOM 782 CA GLU A 49 3.339 20.850 43.114 1.00 0.00 C ATOM 783 C GLU A 49 1.819 20.853 43.130 1.00 0.00 C ATOM 784 O GLU A 49 1.196 21.883 43.304 1.00 0.00 O ATOM 785 CB GLU A 49 3.854 20.546 44.530 1.00 0.00 C ATOM 786 CG GLU A 49 3.810 21.823 45.373 1.00 0.00 C ATOM 787 CD GLU A 49 2.353 22.211 45.632 1.00 0.00 C ATOM 788 OE1 GLU A 49 1.564 21.291 45.767 1.00 0.00 O ATOM 789 OE2 GLU A 49 2.111 23.406 45.680 1.00 0.00 O ATOM 0 H GLU A 49 4.669 22.497 43.223 1.00 0.00 H new ATOM 0 HA GLU A 49 3.673 20.090 42.407 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.243 19.771 44.992 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.873 20.163 44.484 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.330 21.666 46.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.327 22.631 44.856 1.00 0.00 H new ATOM 796 N GLY A 50 1.248 19.696 42.942 1.00 0.00 N ATOM 797 CA GLY A 50 -0.234 19.599 42.940 1.00 0.00 C ATOM 798 C GLY A 50 -0.754 19.647 41.507 1.00 0.00 C ATOM 799 O GLY A 50 -1.895 19.327 41.244 1.00 0.00 O ATOM 0 H GLY A 50 1.743 18.817 42.790 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.547 18.671 43.419 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.662 20.417 43.519 1.00 0.00 H new ATOM 803 N ASP A 51 0.103 20.049 40.605 1.00 0.00 N ATOM 804 CA ASP A 51 -0.312 20.127 39.189 1.00 0.00 C ATOM 805 C ASP A 51 -0.238 18.750 38.534 1.00 0.00 C ATOM 806 O ASP A 51 0.643 17.967 38.829 1.00 0.00 O ATOM 807 CB ASP A 51 0.648 21.082 38.455 1.00 0.00 C ATOM 808 CG ASP A 51 0.174 22.526 38.646 1.00 0.00 C ATOM 809 OD1 ASP A 51 1.045 23.381 38.677 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.029 22.693 38.750 1.00 0.00 O ATOM 0 H ASP A 51 1.067 20.324 40.794 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.339 20.488 39.132 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.660 20.966 38.842 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.682 20.836 37.394 1.00 0.00 H new ATOM 815 N LYS A 52 -1.168 18.474 37.659 1.00 0.00 N ATOM 816 CA LYS A 52 -1.160 17.168 36.989 1.00 0.00 C ATOM 817 C LYS A 52 -0.182 17.132 35.857 1.00 0.00 C ATOM 818 O LYS A 52 0.088 18.133 35.224 1.00 0.00 O ATOM 819 CB LYS A 52 -2.565 16.881 36.446 1.00 0.00 C ATOM 820 CG LYS A 52 -3.532 16.719 37.617 1.00 0.00 C ATOM 821 CD LYS A 52 -4.620 15.719 37.232 1.00 0.00 C ATOM 822 CE LYS A 52 -5.483 16.330 36.130 1.00 0.00 C ATOM 823 NZ LYS A 52 -6.616 15.426 35.793 1.00 0.00 N ATOM 0 H LYS A 52 -1.925 19.102 37.388 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.862 16.413 37.717 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.891 17.695 35.799 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.555 15.976 35.839 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.997 16.371 38.501 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.978 17.680 37.872 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.171 14.787 36.887 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.233 15.475 38.100 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.866 17.297 36.455 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.876 16.509 35.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.192 15.857 35.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.245 14.512 35.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.204 15.276 36.638 1.00 0.00 H new ATOM 837 N VAL A 53 0.337 15.967 35.616 1.00 0.00 N ATOM 838 CA VAL A 53 1.313 15.830 34.525 1.00 0.00 C ATOM 839 C VAL A 53 1.306 14.425 33.932 1.00 0.00 C ATOM 840 O VAL A 53 0.721 13.518 34.489 1.00 0.00 O ATOM 841 CB VAL A 53 2.680 16.077 35.137 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.751 17.506 35.652 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.881 15.114 36.311 1.00 0.00 C ATOM 0 H VAL A 53 0.125 15.111 36.128 1.00 0.00 H new ATOM 0 HA VAL A 53 1.068 16.532 33.728 1.00 0.00 H new ATOM 0 HB VAL A 53 3.453 15.918 34.386 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.732 17.686 36.092 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.591 18.199 34.826 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.981 17.659 36.408 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.861 15.284 36.757 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.107 15.286 37.059 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.819 14.086 35.953 1.00 0.00 H new ATOM 853 N ASN A 54 1.970 14.274 32.803 1.00 0.00 N ATOM 854 CA ASN A 54 2.021 12.941 32.155 1.00 0.00 C ATOM 855 C ASN A 54 3.363 12.316 32.450 1.00 0.00 C ATOM 856 O ASN A 54 4.376 12.830 32.044 1.00 0.00 O ATOM 857 CB ASN A 54 1.860 13.118 30.638 1.00 0.00 C ATOM 858 CG ASN A 54 0.513 12.537 30.202 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.513 12.654 30.999 1.00 0.00 O flip ATOM 860 ND2 ASN A 54 0.383 11.974 29.134 1.00 0.00 N flip ATOM 0 H ASN A 54 2.471 15.017 32.315 1.00 0.00 H new ATOM 0 HA ASN A 54 1.223 12.302 32.533 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.916 14.174 30.375 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.673 12.616 30.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.182 11.880 28.507 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.525 11.596 28.864 1.00 0.00 H new ATOM 867 N VAL A 55 3.349 11.200 33.133 1.00 0.00 N ATOM 868 CA VAL A 55 4.627 10.536 33.466 1.00 0.00 C ATOM 869 C VAL A 55 4.904 9.314 32.614 1.00 0.00 C ATOM 870 O VAL A 55 4.112 8.395 32.557 1.00 0.00 O ATOM 871 CB VAL A 55 4.547 10.081 34.925 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.912 9.547 35.355 1.00 0.00 C ATOM 873 CG2 VAL A 55 4.163 11.271 35.808 1.00 0.00 C ATOM 0 H VAL A 55 2.509 10.729 33.469 1.00 0.00 H new ATOM 0 HA VAL A 55 5.429 11.251 33.285 1.00 0.00 H new ATOM 0 HB VAL A 55 3.796 9.298 35.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.864 9.220 36.394 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.189 8.704 34.722 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.659 10.335 35.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.105 10.949 36.848 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.916 12.053 35.712 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.194 11.659 35.494 1.00 0.00 H new ATOM 883 N GLU A 56 6.038 9.332 31.966 1.00 0.00 N ATOM 884 CA GLU A 56 6.410 8.189 31.114 1.00 0.00 C ATOM 885 C GLU A 56 7.301 7.260 31.928 1.00 0.00 C ATOM 886 O GLU A 56 8.396 7.630 32.315 1.00 0.00 O ATOM 887 CB GLU A 56 7.192 8.712 29.892 1.00 0.00 C ATOM 888 CG GLU A 56 6.198 9.089 28.784 1.00 0.00 C ATOM 889 CD GLU A 56 6.954 9.729 27.615 1.00 0.00 C ATOM 890 OE1 GLU A 56 7.534 10.774 27.853 1.00 0.00 O ATOM 891 OE2 GLU A 56 6.905 9.135 26.549 1.00 0.00 O ATOM 0 H GLU A 56 6.716 10.093 31.996 1.00 0.00 H new ATOM 0 HA GLU A 56 5.522 7.655 30.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.790 9.579 30.171 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.884 7.950 29.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.663 8.202 28.443 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.451 9.782 29.171 1.00 0.00 H new ATOM 898 N LEU A 57 6.810 6.082 32.193 1.00 0.00 N ATOM 899 CA LEU A 57 7.613 5.119 32.987 1.00 0.00 C ATOM 900 C LEU A 57 8.508 4.264 32.094 1.00 0.00 C ATOM 901 O LEU A 57 8.155 3.952 30.972 1.00 0.00 O ATOM 902 CB LEU A 57 6.644 4.193 33.737 1.00 0.00 C ATOM 903 CG LEU A 57 5.562 5.037 34.421 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.394 4.131 34.819 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.145 5.684 35.679 1.00 0.00 C ATOM 0 H LEU A 57 5.893 5.748 31.895 1.00 0.00 H new ATOM 0 HA LEU A 57 8.249 5.678 33.673 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.187 3.488 33.043 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.185 3.605 34.478 1.00 0.00 H new ATOM 0 HG LEU A 57 5.214 5.811 33.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.621 4.726 35.306 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.980 3.658 33.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.747 3.363 35.507 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.378 6.285 36.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.488 4.907 36.362 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.985 6.322 35.404 1.00 0.00 H new ATOM 917 N SER A 58 9.658 3.895 32.616 1.00 0.00 N ATOM 918 CA SER A 58 10.592 3.058 31.811 1.00 0.00 C ATOM 919 C SER A 58 10.352 1.548 32.071 1.00 0.00 C ATOM 920 O SER A 58 10.255 1.127 33.206 1.00 0.00 O ATOM 921 CB SER A 58 12.027 3.402 32.241 1.00 0.00 C ATOM 922 OG SER A 58 12.334 4.584 31.518 1.00 0.00 O ATOM 0 H SER A 58 9.982 4.137 33.553 1.00 0.00 H new ATOM 0 HA SER A 58 10.429 3.260 30.752 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.092 3.565 33.317 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.719 2.596 31.998 1.00 0.00 H new ATOM 0 HG SER A 58 13.243 4.876 31.739 1.00 0.00 H new ATOM 928 N PRO A 59 10.263 0.753 30.996 1.00 0.00 N ATOM 929 CA PRO A 59 10.039 -0.693 31.129 1.00 0.00 C ATOM 930 C PRO A 59 11.206 -1.384 31.840 1.00 0.00 C ATOM 931 O PRO A 59 11.064 -2.484 32.338 1.00 0.00 O ATOM 932 CB PRO A 59 9.953 -1.217 29.679 1.00 0.00 C ATOM 933 CG PRO A 59 10.250 -0.017 28.733 1.00 0.00 C ATOM 934 CD PRO A 59 10.363 1.241 29.611 1.00 0.00 C ATOM 0 HA PRO A 59 9.144 -0.895 31.718 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.672 -2.020 29.518 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.964 -1.629 29.478 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.174 -0.184 28.180 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.454 0.098 27.997 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.309 1.756 29.442 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.568 1.952 29.385 1.00 0.00 H new ATOM 942 N TYR A 60 12.336 -0.720 31.876 1.00 0.00 N ATOM 943 CA TYR A 60 13.504 -1.302 32.533 1.00 0.00 C ATOM 944 C TYR A 60 13.609 -0.764 33.934 1.00 0.00 C ATOM 945 O TYR A 60 14.379 -1.249 34.740 1.00 0.00 O ATOM 946 CB TYR A 60 14.764 -0.901 31.742 1.00 0.00 C ATOM 947 CG TYR A 60 15.452 -2.162 31.210 1.00 0.00 C ATOM 948 CD1 TYR A 60 14.790 -3.007 30.341 1.00 0.00 C ATOM 949 CD2 TYR A 60 16.743 -2.472 31.589 1.00 0.00 C ATOM 950 CE1 TYR A 60 15.409 -4.143 29.861 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.363 -3.608 31.108 1.00 0.00 C ATOM 952 CZ TYR A 60 16.699 -4.454 30.240 1.00 0.00 C ATOM 953 OH TYR A 60 17.318 -5.590 29.759 1.00 0.00 O ATOM 0 H TYR A 60 12.481 0.205 31.471 1.00 0.00 H new ATOM 0 HA TYR A 60 13.410 -2.387 32.567 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.494 -0.244 30.915 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.447 -0.343 32.383 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.780 -2.777 30.035 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.273 -1.820 32.268 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.879 -4.795 29.182 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.374 -3.837 31.412 1.00 0.00 H new ATOM 0 HH TYR A 60 18.223 -5.651 30.129 1.00 0.00 H new ATOM 963 N ASP A 61 12.827 0.244 34.195 1.00 0.00 N ATOM 964 CA ASP A 61 12.840 0.851 35.528 1.00 0.00 C ATOM 965 C ASP A 61 11.426 1.257 35.933 1.00 0.00 C ATOM 966 O ASP A 61 11.053 2.411 35.862 1.00 0.00 O ATOM 967 CB ASP A 61 13.756 2.093 35.492 1.00 0.00 C ATOM 968 CG ASP A 61 14.356 2.321 36.882 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.371 1.696 37.142 1.00 0.00 O ATOM 970 OD2 ASP A 61 13.766 3.106 37.605 1.00 0.00 O ATOM 0 H ASP A 61 12.180 0.667 33.530 1.00 0.00 H new ATOM 0 HA ASP A 61 13.214 0.133 36.258 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.551 1.952 34.759 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.187 2.969 35.181 1.00 0.00 H new ATOM 975 N LEU A 62 10.659 0.290 36.353 1.00 0.00 N ATOM 976 CA LEU A 62 9.271 0.592 36.765 1.00 0.00 C ATOM 977 C LEU A 62 9.262 1.342 38.075 1.00 0.00 C ATOM 978 O LEU A 62 8.288 1.324 38.801 1.00 0.00 O ATOM 979 CB LEU A 62 8.514 -0.731 36.942 1.00 0.00 C ATOM 980 CG LEU A 62 8.549 -1.513 35.624 1.00 0.00 C ATOM 981 CD1 LEU A 62 9.115 -2.911 35.882 1.00 0.00 C ATOM 982 CD2 LEU A 62 7.126 -1.638 35.074 1.00 0.00 C ATOM 0 H LEU A 62 10.936 -0.689 36.427 1.00 0.00 H new ATOM 0 HA LEU A 62 8.796 1.209 36.002 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.968 -1.319 37.740 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.483 -0.537 37.236 1.00 0.00 H new ATOM 0 HG LEU A 62 9.177 -0.990 34.903 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.142 -3.471 34.947 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.125 -2.826 36.283 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.482 -3.433 36.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.146 -2.194 34.136 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.502 -2.166 35.795 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.715 -0.644 34.898 1.00 0.00 H new ATOM 994 N THR A 63 10.354 1.994 38.343 1.00 0.00 N ATOM 995 CA THR A 63 10.473 2.773 39.605 1.00 0.00 C ATOM 996 C THR A 63 10.613 4.264 39.318 1.00 0.00 C ATOM 997 O THR A 63 10.309 5.085 40.159 1.00 0.00 O ATOM 998 CB THR A 63 11.727 2.297 40.343 1.00 0.00 C ATOM 999 OG1 THR A 63 12.511 1.646 39.364 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.379 1.196 41.356 1.00 0.00 C ATOM 0 H THR A 63 11.176 2.022 37.739 1.00 0.00 H new ATOM 0 HA THR A 63 9.575 2.618 40.204 1.00 0.00 H new ATOM 0 HB THR A 63 12.204 3.139 40.844 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.198 2.261 39.033 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.285 0.873 41.868 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.668 1.584 42.086 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.936 0.348 40.834 1.00 0.00 H new ATOM 1008 N ARG A 64 11.087 4.583 38.131 1.00 0.00 N ATOM 1009 CA ARG A 64 11.260 6.015 37.760 1.00 0.00 C ATOM 1010 C ARG A 64 10.565 6.343 36.431 1.00 0.00 C ATOM 1011 O ARG A 64 10.414 5.493 35.562 1.00 0.00 O ATOM 1012 CB ARG A 64 12.767 6.267 37.587 1.00 0.00 C ATOM 1013 CG ARG A 64 13.257 7.244 38.651 1.00 0.00 C ATOM 1014 CD ARG A 64 14.748 7.013 38.860 1.00 0.00 C ATOM 1015 NE ARG A 64 15.414 8.319 39.141 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.680 8.469 38.853 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.032 9.425 38.037 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.551 7.664 39.395 1.00 0.00 N ATOM 0 H ARG A 64 11.358 3.912 37.412 1.00 0.00 H new ATOM 0 HA ARG A 64 10.821 6.639 38.539 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.313 5.327 37.666 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.965 6.669 36.593 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.072 8.271 38.338 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.715 7.093 39.584 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.908 6.324 39.689 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.184 6.552 37.974 1.00 0.00 H new ATOM 0 HE ARG A 64 14.886 9.088 39.554 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.324 10.040 37.636 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.015 9.557 37.801 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.240 6.931 40.033 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.543 7.767 39.181 1.00 0.00 H new ATOM 1032 N GLY A 65 10.161 7.579 36.305 1.00 0.00 N ATOM 1033 CA GLY A 65 9.475 8.021 35.054 1.00 0.00 C ATOM 1034 C GLY A 65 9.891 9.463 34.738 1.00 0.00 C ATOM 1035 O GLY A 65 10.923 9.916 35.187 1.00 0.00 O ATOM 0 H GLY A 65 10.276 8.303 37.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.740 7.363 34.227 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.394 7.959 35.176 1.00 0.00 H new ATOM 1039 N ARG A 66 9.111 10.153 33.952 1.00 0.00 N ATOM 1040 CA ARG A 66 9.499 11.564 33.634 1.00 0.00 C ATOM 1041 C ARG A 66 8.360 12.355 32.985 1.00 0.00 C ATOM 1042 O ARG A 66 7.568 11.814 32.238 1.00 0.00 O ATOM 1043 CB ARG A 66 10.685 11.535 32.660 1.00 0.00 C ATOM 1044 CG ARG A 66 10.573 10.305 31.763 1.00 0.00 C ATOM 1045 CD ARG A 66 11.717 10.326 30.745 1.00 0.00 C ATOM 1046 NE ARG A 66 12.721 9.291 31.122 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.922 9.340 30.608 1.00 0.00 C ATOM 1048 NH1 ARG A 66 14.082 9.869 29.424 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.922 8.858 31.294 1.00 0.00 N ATOM 0 H ARG A 66 8.247 9.818 33.526 1.00 0.00 H new ATOM 0 HA ARG A 66 9.754 12.057 34.572 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.695 12.441 32.054 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.624 11.511 33.213 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.619 9.396 32.363 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.612 10.300 31.249 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.333 10.131 29.744 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.182 11.311 30.722 1.00 0.00 H new ATOM 0 HE ARG A 66 12.473 8.549 31.777 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.277 10.235 28.916 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.012 9.916 29.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.760 8.452 32.215 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.866 8.888 30.909 1.00 0.00 H new ATOM 1063 N ILE A 67 8.307 13.641 33.287 1.00 0.00 N ATOM 1064 CA ILE A 67 7.243 14.494 32.710 1.00 0.00 C ATOM 1065 C ILE A 67 7.719 15.161 31.445 1.00 0.00 C ATOM 1066 O ILE A 67 8.745 15.810 31.434 1.00 0.00 O ATOM 1067 CB ILE A 67 6.890 15.581 33.715 1.00 0.00 C ATOM 1068 CG1 ILE A 67 5.953 15.014 34.758 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.165 16.724 32.979 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.700 13.990 35.587 1.00 0.00 C ATOM 0 H ILE A 67 8.959 14.121 33.907 1.00 0.00 H new ATOM 0 HA ILE A 67 6.379 13.869 32.483 1.00 0.00 H new ATOM 0 HB ILE A 67 7.799 15.949 34.190 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.574 15.812 35.397 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.090 14.553 34.278 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.907 17.509 33.690 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.819 17.133 32.208 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.255 16.340 32.517 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.032 13.576 36.342 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.058 13.189 34.940 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.549 14.467 36.076 1.00 0.00 H new ATOM 1082 N THR A 68 6.965 14.983 30.403 1.00 0.00 N ATOM 1083 CA THR A 68 7.332 15.592 29.112 1.00 0.00 C ATOM 1084 C THR A 68 6.167 16.402 28.587 1.00 0.00 C ATOM 1085 O THR A 68 6.197 16.900 27.478 1.00 0.00 O ATOM 1086 CB THR A 68 7.650 14.479 28.118 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.642 13.511 28.308 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.954 13.762 28.495 1.00 0.00 C ATOM 0 H THR A 68 6.104 14.436 30.395 1.00 0.00 H new ATOM 0 HA THR A 68 8.198 16.241 29.243 1.00 0.00 H new ATOM 0 HB THR A 68 7.722 14.892 27.112 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.773 13.891 28.063 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.158 12.973 27.771 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.776 14.478 28.493 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.855 13.325 29.489 1.00 0.00 H new ATOM 1096 N TRP A 69 5.149 16.525 29.402 1.00 0.00 N ATOM 1097 CA TRP A 69 3.970 17.293 28.976 1.00 0.00 C ATOM 1098 C TRP A 69 2.995 17.486 30.130 1.00 0.00 C ATOM 1099 O TRP A 69 2.366 16.547 30.577 1.00 0.00 O ATOM 1100 CB TRP A 69 3.264 16.469 27.889 1.00 0.00 C ATOM 1101 CG TRP A 69 3.705 14.999 28.023 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.004 14.407 29.178 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.891 14.181 27.018 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.395 13.180 28.820 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.352 12.949 27.454 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.691 14.401 25.667 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.611 11.948 26.543 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.952 13.397 24.758 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.412 12.171 25.196 1.00 0.00 C ATOM 0 H TRP A 69 5.096 16.123 30.338 1.00 0.00 H new ATOM 0 HA TRP A 69 4.283 18.274 28.619 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.182 16.551 27.995 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.517 16.851 26.900 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.944 14.822 30.173 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.698 12.476 29.493 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.330 15.359 25.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.970 10.988 26.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.797 13.570 23.703 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.616 11.386 24.483 1.00 0.00 H new ATOM 1120 N ARG A 70 2.884 18.696 30.592 1.00 0.00 N ATOM 1121 CA ARG A 70 1.960 18.957 31.702 1.00 0.00 C ATOM 1122 C ARG A 70 0.516 18.828 31.232 1.00 0.00 C ATOM 1123 O ARG A 70 0.250 18.864 30.047 1.00 0.00 O ATOM 1124 CB ARG A 70 2.190 20.384 32.203 1.00 0.00 C ATOM 1125 CG ARG A 70 1.700 21.359 31.143 1.00 0.00 C ATOM 1126 CD ARG A 70 0.350 21.941 31.575 1.00 0.00 C ATOM 1127 NE ARG A 70 0.462 22.452 32.971 1.00 0.00 N ATOM 1128 CZ ARG A 70 -0.519 23.145 33.478 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -1.493 22.517 34.079 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -0.497 24.445 33.365 1.00 0.00 N ATOM 0 H ARG A 70 3.395 19.507 30.244 1.00 0.00 H new ATOM 0 HA ARG A 70 2.141 18.234 32.497 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.657 20.546 33.140 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.248 20.547 32.406 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.427 22.160 31.005 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.600 20.851 30.184 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.056 22.747 30.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.425 21.177 31.516 1.00 0.00 H new ATOM 0 HE ARG A 70 1.298 22.261 33.524 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.479 21.499 34.146 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.268 23.044 34.481 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.279 24.902 32.886 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.256 25.004 33.755 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.393 18.677 32.171 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.827 18.543 31.798 1.00 0.00 C ATOM 1146 C LYS A 71 -2.696 19.497 32.606 1.00 0.00 C ATOM 1147 O LYS A 71 -2.310 19.948 33.665 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.276 17.103 32.093 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.730 16.933 31.641 1.00 0.00 C ATOM 1150 CD LYS A 71 -3.877 15.601 30.902 1.00 0.00 C ATOM 1151 CE LYS A 71 -3.631 14.451 31.882 1.00 0.00 C ATOM 1152 NZ LYS A 71 -3.907 14.888 33.279 1.00 0.00 N ATOM 0 H LYS A 71 -0.198 18.642 33.172 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.937 18.782 30.740 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.634 16.394 31.571 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.185 16.891 33.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.396 16.959 32.503 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.019 17.758 30.989 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.874 15.519 30.470 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.167 15.549 30.077 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.269 13.605 31.627 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.599 14.109 31.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.086 14.054 33.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.086 15.408 33.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.743 15.507 33.290 1.00 0.00 H new