USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 49 TYR OH : rot 180:sc= -0.545 USER MOD Set 1.2: A 68 MET CE :methyl -118:sc= 0 (180deg=-0.107) USER MOD Single : A 10 ASN : amide:sc= 0.229 K(o=0.23,f=-4.1!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 13 GLN : amide:sc= -0.0807 K(o=-0.081,f=-2.5!) USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.262 USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.272 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 34 ASN : amide:sc= -4.5! C(o=-4.5!,f=-15!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.058) USER MOD Single : A 51 SER OG : rot -90:sc= 0.0204! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.715 (180deg=-1.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 67 THR OG1 : rot -64:sc= -1.91! USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 70 THR OG1 : rot 95:sc= 1.11 USER MOD Single : A 73 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.081) USER MOD Single : A 74 SER OG : rot 88:sc= 1.15 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.136 USER MOD Single : A 81 SER OG : rot 88:sc= 0.618 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.667) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 78.361 -9.401 9.090 1.00 0.00 N ATOM 106 CA ASN A 10 78.212 -10.788 8.663 1.00 0.00 C ATOM 107 C ASN A 10 79.531 -11.342 8.135 1.00 0.00 C ATOM 108 O ASN A 10 80.534 -10.632 8.064 1.00 0.00 O ATOM 109 CB ASN A 10 77.143 -10.886 7.573 1.00 0.00 C ATOM 110 CG ASN A 10 76.172 -12.016 7.896 1.00 0.00 C ATOM 111 OD1 ASN A 10 76.577 -13.173 8.001 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.905 -11.747 8.062 1.00 0.00 N ATOM 0 HA ASN A 10 77.909 -11.379 9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.603 -9.942 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.613 -11.065 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.249 -12.497 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.572 -10.787 7.974 1.00 0.00 H new ATOM 119 N TYR A 11 79.518 -12.620 7.765 1.00 0.00 N ATOM 120 CA TYR A 11 80.713 -13.272 7.243 1.00 0.00 C ATOM 121 C TYR A 11 81.115 -12.658 5.903 1.00 0.00 C ATOM 122 O TYR A 11 80.884 -11.474 5.661 1.00 0.00 O ATOM 123 CB TYR A 11 80.444 -14.773 7.073 1.00 0.00 C ATOM 124 CG TYR A 11 81.623 -15.569 7.586 1.00 0.00 C ATOM 125 CD1 TYR A 11 82.932 -15.151 7.312 1.00 0.00 C ATOM 126 CD2 TYR A 11 81.403 -16.731 8.336 1.00 0.00 C ATOM 127 CE1 TYR A 11 84.018 -15.894 7.788 1.00 0.00 C ATOM 128 CE2 TYR A 11 82.490 -17.474 8.812 1.00 0.00 C ATOM 129 CZ TYR A 11 83.798 -17.055 8.538 1.00 0.00 C ATOM 130 OH TYR A 11 84.869 -17.787 9.006 1.00 0.00 O ATOM 0 H TYR A 11 78.696 -13.222 7.817 1.00 0.00 H new ATOM 0 HA TYR A 11 81.532 -13.127 7.948 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.541 -15.053 7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.268 -15.003 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 11 83.103 -14.255 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 11 80.394 -17.054 8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 11 85.027 -15.571 7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 11 82.320 -18.370 9.390 1.00 0.00 H new ATOM 0 HH TYR A 11 84.541 -18.562 9.509 1.00 0.00 H new ATOM 140 N SER A 12 81.714 -13.468 5.035 1.00 0.00 N ATOM 141 CA SER A 12 82.140 -12.989 3.727 1.00 0.00 C ATOM 142 C SER A 12 80.980 -12.312 3.005 1.00 0.00 C ATOM 143 O SER A 12 81.184 -11.514 2.090 1.00 0.00 O ATOM 144 CB SER A 12 82.653 -14.159 2.886 1.00 0.00 C ATOM 145 OG SER A 12 81.858 -15.309 3.147 1.00 0.00 O ATOM 0 H SER A 12 81.914 -14.452 5.213 1.00 0.00 H new ATOM 0 HA SER A 12 82.941 -12.264 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 12 82.611 -13.906 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 12 83.697 -14.363 3.124 1.00 0.00 H new ATOM 0 HG SER A 12 82.183 -16.060 2.608 1.00 0.00 H new ATOM 151 N GLN A 13 79.762 -12.637 3.425 1.00 0.00 N ATOM 152 CA GLN A 13 78.573 -12.059 2.816 1.00 0.00 C ATOM 153 C GLN A 13 78.550 -10.546 3.017 1.00 0.00 C ATOM 154 O GLN A 13 78.054 -9.804 2.170 1.00 0.00 O ATOM 155 CB GLN A 13 77.311 -12.673 3.430 1.00 0.00 C ATOM 156 CG GLN A 13 77.635 -14.053 4.008 1.00 0.00 C ATOM 157 CD GLN A 13 76.341 -14.861 4.168 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.268 -14.374 3.809 1.00 0.00 O ATOM 159 NE2 GLN A 13 76.364 -16.068 4.686 1.00 0.00 N ATOM 0 H GLN A 13 79.574 -13.295 4.182 1.00 0.00 H new ATOM 0 HA GLN A 13 78.598 -12.276 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.923 -12.022 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.532 -12.759 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 13 78.326 -14.581 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 13 78.131 -13.947 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 13 77.249 -16.478 4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 13 75.497 -16.596 4.789 1.00 0.00 H new ATOM 168 N ASP A 14 79.085 -10.098 4.148 1.00 0.00 N ATOM 169 CA ASP A 14 79.116 -8.673 4.456 1.00 0.00 C ATOM 170 C ASP A 14 80.135 -7.950 3.583 1.00 0.00 C ATOM 171 O ASP A 14 79.933 -6.795 3.208 1.00 0.00 O ATOM 172 CB ASP A 14 79.467 -8.466 5.930 1.00 0.00 C ATOM 173 CG ASP A 14 78.779 -7.212 6.461 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.526 -6.321 5.669 1.00 0.00 O ATOM 175 OD2 ASP A 14 78.516 -7.164 7.651 1.00 0.00 O ATOM 0 H ASP A 14 79.500 -10.696 4.862 1.00 0.00 H new ATOM 0 HA ASP A 14 78.128 -8.259 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 14 79.157 -9.334 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 80.547 -8.374 6.045 1.00 0.00 H new ATOM 180 N THR A 15 81.232 -8.630 3.261 1.00 0.00 N ATOM 181 CA THR A 15 82.266 -8.025 2.432 1.00 0.00 C ATOM 182 C THR A 15 81.701 -7.635 1.072 1.00 0.00 C ATOM 183 O THR A 15 81.916 -6.524 0.600 1.00 0.00 O ATOM 184 CB THR A 15 83.429 -9.000 2.235 1.00 0.00 C ATOM 185 OG1 THR A 15 83.069 -10.272 2.756 1.00 0.00 O ATOM 186 CG2 THR A 15 84.666 -8.477 2.970 1.00 0.00 C ATOM 0 H THR A 15 81.425 -9.587 3.557 1.00 0.00 H new ATOM 0 HA THR A 15 82.626 -7.130 2.940 1.00 0.00 H new ATOM 0 HB THR A 15 83.653 -9.091 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.450 -10.715 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 15 85.494 -9.172 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.940 -7.500 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.446 -8.386 4.034 1.00 0.00 H new ATOM 194 N LEU A 16 80.976 -8.552 0.448 1.00 0.00 N ATOM 195 CA LEU A 16 80.392 -8.282 -0.862 1.00 0.00 C ATOM 196 C LEU A 16 79.485 -7.059 -0.802 1.00 0.00 C ATOM 197 O LEU A 16 79.482 -6.233 -1.715 1.00 0.00 O ATOM 198 CB LEU A 16 79.587 -9.490 -1.354 1.00 0.00 C ATOM 199 CG LEU A 16 80.079 -10.769 -0.669 1.00 0.00 C ATOM 200 CD1 LEU A 16 79.417 -11.981 -1.326 1.00 0.00 C ATOM 201 CD2 LEU A 16 81.600 -10.883 -0.817 1.00 0.00 C ATOM 0 H LEU A 16 80.778 -9.481 0.821 1.00 0.00 H new ATOM 0 HA LEU A 16 81.207 -8.089 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 78.528 -9.340 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 16 79.687 -9.587 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 16 79.820 -10.734 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 79.765 -12.893 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.335 -11.905 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 16 79.679 -12.010 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 81.946 -11.794 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 16 81.861 -10.917 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 82.076 -10.019 -0.353 1.00 0.00 H new ATOM 213 N THR A 17 78.714 -6.949 0.273 1.00 0.00 N ATOM 214 CA THR A 17 77.804 -5.821 0.434 1.00 0.00 C ATOM 215 C THR A 17 78.584 -4.526 0.634 1.00 0.00 C ATOM 216 O THR A 17 78.333 -3.529 -0.042 1.00 0.00 O ATOM 217 CB THR A 17 76.885 -6.058 1.635 1.00 0.00 C ATOM 218 OG1 THR A 17 76.315 -7.356 1.541 1.00 0.00 O ATOM 219 CG2 THR A 17 75.773 -5.009 1.642 1.00 0.00 C ATOM 0 H THR A 17 78.700 -7.621 1.040 1.00 0.00 H new ATOM 0 HA THR A 17 77.203 -5.732 -0.471 1.00 0.00 H new ATOM 0 HB THR A 17 77.461 -5.979 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.961 -8.021 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.119 -5.178 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.212 -4.014 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.194 -5.086 0.722 1.00 0.00 H new ATOM 227 N VAL A 18 79.528 -4.548 1.566 1.00 0.00 N ATOM 228 CA VAL A 18 80.339 -3.368 1.847 1.00 0.00 C ATOM 229 C VAL A 18 81.338 -3.115 0.721 1.00 0.00 C ATOM 230 O VAL A 18 81.393 -2.021 0.163 1.00 0.00 O ATOM 231 CB VAL A 18 81.094 -3.560 3.162 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.939 -2.318 3.449 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.091 -3.767 4.299 1.00 0.00 C ATOM 0 H VAL A 18 79.751 -5.363 2.137 1.00 0.00 H new ATOM 0 HA VAL A 18 79.675 -2.507 1.925 1.00 0.00 H new ATOM 0 HB VAL A 18 81.743 -4.432 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.478 -2.453 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.652 -2.168 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.290 -1.446 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.628 -3.904 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.443 -2.894 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.486 -4.651 4.095 1.00 0.00 H new ATOM 243 N ILE A 19 82.130 -4.132 0.397 1.00 0.00 N ATOM 244 CA ILE A 19 83.132 -4.005 -0.659 1.00 0.00 C ATOM 245 C ILE A 19 82.509 -3.511 -1.947 1.00 0.00 C ATOM 246 O ILE A 19 83.172 -2.875 -2.764 1.00 0.00 O ATOM 247 CB ILE A 19 83.810 -5.351 -0.917 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.437 -5.868 0.382 1.00 0.00 C ATOM 249 CG2 ILE A 19 84.898 -5.176 -1.976 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.886 -5.384 0.482 1.00 0.00 C ATOM 0 H ILE A 19 82.099 -5.047 0.846 1.00 0.00 H new ATOM 0 HA ILE A 19 83.872 -3.279 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 19 83.070 -6.069 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 19 83.865 -5.514 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.405 -6.957 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 19 85.383 -6.135 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 19 84.451 -4.811 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 19 85.638 -4.458 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.330 -5.753 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 19 86.455 -5.760 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.907 -4.294 0.479 1.00 0.00 H new ATOM 262 N ALA A 20 81.245 -3.821 -2.144 1.00 0.00 N ATOM 263 CA ALA A 20 80.584 -3.408 -3.360 1.00 0.00 C ATOM 264 C ALA A 20 80.335 -1.903 -3.388 1.00 0.00 C ATOM 265 O ALA A 20 80.739 -1.224 -4.323 1.00 0.00 O ATOM 266 CB ALA A 20 79.258 -4.154 -3.521 1.00 0.00 C ATOM 0 H ALA A 20 80.665 -4.348 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 20 81.246 -3.654 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.770 -3.834 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.447 -5.227 -3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.611 -3.934 -2.672 1.00 0.00 H new ATOM 272 N THR A 21 79.645 -1.393 -2.376 1.00 0.00 N ATOM 273 CA THR A 21 79.321 0.033 -2.325 1.00 0.00 C ATOM 274 C THR A 21 80.524 0.907 -1.968 1.00 0.00 C ATOM 275 O THR A 21 80.762 1.930 -2.609 1.00 0.00 O ATOM 276 CB THR A 21 78.205 0.270 -1.306 1.00 0.00 C ATOM 277 OG1 THR A 21 76.957 -0.095 -1.881 1.00 0.00 O ATOM 278 CG2 THR A 21 78.174 1.747 -0.910 1.00 0.00 C ATOM 0 H THR A 21 79.300 -1.937 -1.585 1.00 0.00 H new ATOM 0 HA THR A 21 78.999 0.320 -3.326 1.00 0.00 H new ATOM 0 HB THR A 21 78.389 -0.336 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 21 76.240 0.054 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.378 1.912 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.131 2.026 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.991 2.357 -1.795 1.00 0.00 H new ATOM 286 N LEU A 22 81.253 0.529 -0.927 1.00 0.00 N ATOM 287 CA LEU A 22 82.394 1.329 -0.484 1.00 0.00 C ATOM 288 C LEU A 22 83.414 1.542 -1.595 1.00 0.00 C ATOM 289 O LEU A 22 83.808 2.675 -1.873 1.00 0.00 O ATOM 290 CB LEU A 22 83.081 0.639 0.688 1.00 0.00 C ATOM 291 CG LEU A 22 83.217 1.621 1.852 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.945 0.942 3.011 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.017 2.844 1.397 1.00 0.00 C ATOM 0 H LEU A 22 81.081 -0.313 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 22 82.008 2.304 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 22 82.504 -0.232 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.064 0.279 0.386 1.00 0.00 H new ATOM 0 HG LEU A 22 82.225 1.934 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.042 1.643 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.377 0.070 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 84.936 0.628 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.114 3.544 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.008 2.529 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.499 3.330 0.570 1.00 0.00 H new ATOM 305 N ARG A 23 83.843 0.461 -2.222 1.00 0.00 N ATOM 306 CA ARG A 23 84.822 0.566 -3.293 1.00 0.00 C ATOM 307 C ARG A 23 84.183 1.154 -4.544 1.00 0.00 C ATOM 308 O ARG A 23 84.841 1.852 -5.315 1.00 0.00 O ATOM 309 CB ARG A 23 85.431 -0.810 -3.577 1.00 0.00 C ATOM 310 CG ARG A 23 85.868 -1.447 -2.249 1.00 0.00 C ATOM 311 CD ARG A 23 87.046 -2.401 -2.480 1.00 0.00 C ATOM 312 NE ARG A 23 87.398 -3.074 -1.236 1.00 0.00 N ATOM 313 CZ ARG A 23 88.008 -2.425 -0.250 1.00 0.00 C ATOM 314 NH1 ARG A 23 88.291 -1.157 -0.382 1.00 0.00 N ATOM 315 NH2 ARG A 23 88.321 -3.053 0.850 1.00 0.00 N ATOM 0 H ARG A 23 83.535 -0.489 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 23 85.621 1.238 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 23 84.703 -1.448 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 23 86.285 -0.713 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 23 86.154 -0.669 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 23 85.033 -1.990 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 23 86.784 -3.138 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 23 87.905 -1.846 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 23 87.172 -4.062 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 23 88.044 -0.666 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 88.759 -0.658 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 23 88.097 -4.043 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 88.789 -2.554 1.606 1.00 0.00 H new ATOM 329 N GLU A 24 82.892 0.892 -4.735 1.00 0.00 N ATOM 330 CA GLU A 24 82.195 1.439 -5.896 1.00 0.00 C ATOM 331 C GLU A 24 81.849 2.899 -5.659 1.00 0.00 C ATOM 332 O GLU A 24 81.490 3.624 -6.584 1.00 0.00 O ATOM 333 CB GLU A 24 80.922 0.647 -6.200 1.00 0.00 C ATOM 334 CG GLU A 24 80.258 1.215 -7.454 1.00 0.00 C ATOM 335 CD GLU A 24 79.266 0.204 -8.022 1.00 0.00 C ATOM 336 OE1 GLU A 24 78.345 -0.156 -7.310 1.00 0.00 O ATOM 337 OE2 GLU A 24 79.444 -0.193 -9.162 1.00 0.00 O ATOM 0 H GLU A 24 82.318 0.318 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 24 82.861 1.360 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 24 81.162 -0.406 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 24 80.236 0.702 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 24 79.744 2.146 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 81.016 1.453 -8.201 1.00 0.00 H new ATOM 344 N ALA A 25 81.963 3.319 -4.409 1.00 0.00 N ATOM 345 CA ALA A 25 81.662 4.699 -4.038 1.00 0.00 C ATOM 346 C ALA A 25 82.635 5.655 -4.716 1.00 0.00 C ATOM 347 O ALA A 25 82.240 6.688 -5.247 1.00 0.00 O ATOM 348 CB ALA A 25 81.755 4.864 -2.520 1.00 0.00 C ATOM 0 H ALA A 25 82.261 2.728 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 25 80.649 4.933 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 81.529 5.896 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.039 4.199 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 25 82.763 4.615 -2.188 1.00 0.00 H new ATOM 354 N ILE A 26 83.910 5.301 -4.694 1.00 0.00 N ATOM 355 CA ILE A 26 84.935 6.134 -5.315 1.00 0.00 C ATOM 356 C ILE A 26 84.986 5.885 -6.812 1.00 0.00 C ATOM 357 O ILE A 26 85.309 6.775 -7.599 1.00 0.00 O ATOM 358 CB ILE A 26 86.295 5.809 -4.708 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.398 6.523 -5.512 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.520 4.293 -4.721 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.099 5.534 -6.449 1.00 0.00 C ATOM 0 H ILE A 26 84.261 4.449 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 26 84.688 7.181 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 26 86.328 6.156 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 26 86.965 7.338 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.124 6.966 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.493 4.066 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.739 3.804 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.488 3.929 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 26 88.876 6.053 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.549 4.733 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 26 87.372 5.111 -7.142 1.00 0.00 H new ATOM 373 N ASP A 27 84.688 4.656 -7.185 1.00 0.00 N ATOM 374 CA ASP A 27 84.722 4.261 -8.591 1.00 0.00 C ATOM 375 C ASP A 27 83.320 4.112 -9.179 1.00 0.00 C ATOM 376 O ASP A 27 83.149 3.491 -10.228 1.00 0.00 O ATOM 377 CB ASP A 27 85.472 2.936 -8.736 1.00 0.00 C ATOM 378 CG ASP A 27 86.333 2.959 -9.994 1.00 0.00 C ATOM 379 OD1 ASP A 27 85.782 2.777 -11.068 1.00 0.00 O ATOM 380 OD2 ASP A 27 87.528 3.158 -9.866 1.00 0.00 O ATOM 0 H ASP A 27 84.420 3.912 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 27 85.235 5.050 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 86.098 2.765 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.762 2.110 -8.786 1.00 0.00 H new ATOM 385 N LEU A 28 82.320 4.678 -8.513 1.00 0.00 N ATOM 386 CA LEU A 28 80.952 4.579 -9.014 1.00 0.00 C ATOM 387 C LEU A 28 80.899 5.007 -10.482 1.00 0.00 C ATOM 388 O LEU A 28 81.709 5.822 -10.922 1.00 0.00 O ATOM 389 CB LEU A 28 79.996 5.448 -8.181 1.00 0.00 C ATOM 390 CG LEU A 28 80.639 6.797 -7.858 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.745 7.654 -9.122 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.767 7.521 -6.836 1.00 0.00 C ATOM 0 H LEU A 28 82.425 5.200 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 28 80.633 3.540 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 28 79.067 5.604 -8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.738 4.931 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 28 81.640 6.632 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 28 81.205 8.611 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 28 81.357 7.137 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.749 7.825 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 28 80.213 8.486 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.771 7.675 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.693 6.920 -5.930 1.00 0.00 H new ATOM 404 N PRO A 29 79.972 4.484 -11.246 1.00 0.00 N ATOM 405 CA PRO A 29 79.834 4.839 -12.686 1.00 0.00 C ATOM 406 C PRO A 29 79.786 6.350 -12.895 1.00 0.00 C ATOM 407 O PRO A 29 79.323 7.091 -12.029 1.00 0.00 O ATOM 408 CB PRO A 29 78.516 4.184 -13.124 1.00 0.00 C ATOM 409 CG PRO A 29 77.863 3.671 -11.879 1.00 0.00 C ATOM 410 CD PRO A 29 78.960 3.505 -10.833 1.00 0.00 C ATOM 0 HA PRO A 29 80.687 4.491 -13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 29 77.874 4.905 -13.630 1.00 0.00 H new ATOM 0 HB3 PRO A 29 78.701 3.373 -13.828 1.00 0.00 H new ATOM 0 HG2 PRO A 29 77.100 4.366 -11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 29 77.365 2.720 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.591 3.708 -9.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 79.360 2.491 -10.827 1.00 0.00 H new ATOM 418 N GLN A 30 80.267 6.801 -14.049 1.00 0.00 N ATOM 419 CA GLN A 30 80.273 8.226 -14.353 1.00 0.00 C ATOM 420 C GLN A 30 78.862 8.800 -14.281 1.00 0.00 C ATOM 421 O GLN A 30 78.656 9.993 -14.501 1.00 0.00 O ATOM 422 CB GLN A 30 80.853 8.461 -15.748 1.00 0.00 C ATOM 423 CG GLN A 30 82.342 8.790 -15.625 1.00 0.00 C ATOM 424 CD GLN A 30 82.988 8.818 -17.007 1.00 0.00 C ATOM 425 OE1 GLN A 30 82.241 8.697 -18.070 1.00 0.00 O flip ATOM 426 NE2 GLN A 30 84.207 8.953 -17.121 1.00 0.00 N flip ATOM 0 H GLN A 30 80.654 6.207 -14.782 1.00 0.00 H new ATOM 0 HA GLN A 30 80.893 8.731 -13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.714 7.574 -16.367 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.327 9.279 -16.240 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.470 9.755 -15.135 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.836 8.047 -14.999 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.790 9.047 -16.289 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.634 8.970 -18.047 1.00 0.00 H new ATOM 435 N ASP A 31 77.893 7.945 -13.969 1.00 0.00 N ATOM 436 CA ASP A 31 76.507 8.384 -13.869 1.00 0.00 C ATOM 437 C ASP A 31 76.212 8.905 -12.466 1.00 0.00 C ATOM 438 O ASP A 31 75.052 9.020 -12.067 1.00 0.00 O ATOM 439 CB ASP A 31 75.566 7.220 -14.192 1.00 0.00 C ATOM 440 CG ASP A 31 75.924 6.620 -15.547 1.00 0.00 C ATOM 441 OD1 ASP A 31 76.748 7.202 -16.232 1.00 0.00 O ATOM 442 OD2 ASP A 31 75.367 5.587 -15.880 1.00 0.00 O ATOM 0 H ASP A 31 78.040 6.953 -13.783 1.00 0.00 H new ATOM 0 HA ASP A 31 76.347 9.190 -14.585 1.00 0.00 H new ATOM 0 HB2 ASP A 31 75.639 6.457 -13.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 74.533 7.568 -14.201 1.00 0.00 H new ATOM 447 N ALA A 32 77.268 9.221 -11.720 1.00 0.00 N ATOM 448 CA ALA A 32 77.106 9.733 -10.364 1.00 0.00 C ATOM 449 C ALA A 32 78.175 10.777 -10.054 1.00 0.00 C ATOM 450 O ALA A 32 79.039 10.566 -9.203 1.00 0.00 O ATOM 451 CB ALA A 32 77.197 8.585 -9.356 1.00 0.00 C ATOM 0 H ALA A 32 78.236 9.132 -12.029 1.00 0.00 H new ATOM 0 HA ALA A 32 76.125 10.203 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 32 77.075 8.977 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 32 76.411 7.858 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 78.170 8.101 -9.442 1.00 0.00 H new ATOM 457 N PRO A 33 78.124 11.894 -10.727 1.00 0.00 N ATOM 458 CA PRO A 33 79.097 13.005 -10.529 1.00 0.00 C ATOM 459 C PRO A 33 79.337 13.302 -9.050 1.00 0.00 C ATOM 460 O PRO A 33 80.209 14.097 -8.701 1.00 0.00 O ATOM 461 CB PRO A 33 78.434 14.195 -11.222 1.00 0.00 C ATOM 462 CG PRO A 33 77.537 13.603 -12.260 1.00 0.00 C ATOM 463 CD PRO A 33 77.126 12.217 -11.758 1.00 0.00 C ATOM 0 HA PRO A 33 80.080 12.764 -10.933 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.868 14.798 -10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.178 14.851 -11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.661 14.232 -12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 33 78.052 13.529 -13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 33 76.117 12.226 -11.346 1.00 0.00 H new ATOM 0 HD3 PRO A 33 77.135 11.483 -12.564 1.00 0.00 H new ATOM 471 N ASN A 34 78.560 12.657 -8.189 1.00 0.00 N ATOM 472 CA ASN A 34 78.699 12.857 -6.751 1.00 0.00 C ATOM 473 C ASN A 34 79.649 11.817 -6.162 1.00 0.00 C ATOM 474 O ASN A 34 79.395 11.258 -5.096 1.00 0.00 O ATOM 475 CB ASN A 34 77.327 12.761 -6.076 1.00 0.00 C ATOM 476 CG ASN A 34 76.450 11.759 -6.817 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.938 11.009 -7.661 1.00 0.00 O ATOM 478 ND2 ASN A 34 75.173 11.703 -6.550 1.00 0.00 N ATOM 0 H ASN A 34 77.832 11.995 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 34 79.114 13.849 -6.571 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.445 12.455 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.848 13.740 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.578 11.036 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.771 12.326 -5.850 1.00 0.00 H new ATOM 485 N ARG A 35 80.746 11.567 -6.868 1.00 0.00 N ATOM 486 CA ARG A 35 81.733 10.594 -6.411 1.00 0.00 C ATOM 487 C ARG A 35 82.171 10.913 -4.986 1.00 0.00 C ATOM 488 O ARG A 35 82.346 10.013 -4.163 1.00 0.00 O ATOM 489 CB ARG A 35 82.953 10.618 -7.335 1.00 0.00 C ATOM 490 CG ARG A 35 82.518 10.990 -8.755 1.00 0.00 C ATOM 491 CD ARG A 35 82.618 12.503 -8.948 1.00 0.00 C ATOM 492 NE ARG A 35 83.929 12.858 -9.481 1.00 0.00 N ATOM 493 CZ ARG A 35 84.560 13.964 -9.095 1.00 0.00 C ATOM 494 NH1 ARG A 35 84.003 14.778 -8.238 1.00 0.00 N ATOM 495 NH2 ARG A 35 85.739 14.242 -9.581 1.00 0.00 N ATOM 0 H ARG A 35 80.974 12.020 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 35 81.279 9.603 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.685 11.338 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.439 9.642 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.147 10.479 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 81.494 10.659 -8.930 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.837 12.842 -9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.455 13.010 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 35 84.372 12.244 -10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.079 14.567 -7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 35 84.492 15.624 -7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 35 86.174 13.612 -10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 35 86.225 15.089 -9.287 1.00 0.00 H new ATOM 509 N GLN A 36 82.349 12.198 -4.704 1.00 0.00 N ATOM 510 CA GLN A 36 82.772 12.630 -3.378 1.00 0.00 C ATOM 511 C GLN A 36 81.613 12.583 -2.385 1.00 0.00 C ATOM 512 O GLN A 36 81.817 12.340 -1.195 1.00 0.00 O ATOM 513 CB GLN A 36 83.325 14.055 -3.450 1.00 0.00 C ATOM 514 CG GLN A 36 83.691 14.533 -2.043 1.00 0.00 C ATOM 515 CD GLN A 36 84.401 15.880 -2.121 1.00 0.00 C ATOM 516 OE1 GLN A 36 85.540 16.010 -1.669 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.794 16.895 -2.671 1.00 0.00 N ATOM 0 H GLN A 36 82.208 12.956 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 36 83.549 11.948 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 36 84.203 14.083 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.584 14.722 -3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 82.791 14.621 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.335 13.800 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.851 16.784 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 36 84.262 17.799 -2.728 1.00 0.00 H new ATOM 526 N GLU A 37 80.402 12.831 -2.873 1.00 0.00 N ATOM 527 CA GLU A 37 79.227 12.828 -2.005 1.00 0.00 C ATOM 528 C GLU A 37 78.762 11.406 -1.707 1.00 0.00 C ATOM 529 O GLU A 37 78.616 11.028 -0.545 1.00 0.00 O ATOM 530 CB GLU A 37 78.090 13.613 -2.658 1.00 0.00 C ATOM 531 CG GLU A 37 77.654 14.747 -1.729 1.00 0.00 C ATOM 532 CD GLU A 37 77.048 14.173 -0.452 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.154 13.349 -0.563 1.00 0.00 O ATOM 534 OE2 GLU A 37 77.485 14.565 0.617 1.00 0.00 O ATOM 0 H GLU A 37 80.208 13.035 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 37 79.506 13.302 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.417 14.018 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 77.248 12.952 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.509 15.377 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.925 15.382 -2.234 1.00 0.00 H new ATOM 541 N VAL A 38 78.532 10.618 -2.752 1.00 0.00 N ATOM 542 CA VAL A 38 78.087 9.244 -2.556 1.00 0.00 C ATOM 543 C VAL A 38 79.023 8.538 -1.586 1.00 0.00 C ATOM 544 O VAL A 38 78.594 7.717 -0.775 1.00 0.00 O ATOM 545 CB VAL A 38 78.057 8.501 -3.891 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.596 7.060 -3.667 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.085 9.206 -4.842 1.00 0.00 C ATOM 0 H VAL A 38 78.644 10.900 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 38 77.079 9.252 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 38 79.056 8.496 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.575 6.532 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.287 6.558 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.597 7.061 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.062 8.678 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.087 9.210 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.414 10.232 -5.004 1.00 0.00 H new ATOM 557 N GLN A 39 80.303 8.878 -1.670 1.00 0.00 N ATOM 558 CA GLN A 39 81.300 8.287 -0.788 1.00 0.00 C ATOM 559 C GLN A 39 80.984 8.626 0.665 1.00 0.00 C ATOM 560 O GLN A 39 81.202 7.813 1.564 1.00 0.00 O ATOM 561 CB GLN A 39 82.692 8.810 -1.148 1.00 0.00 C ATOM 562 CG GLN A 39 83.756 7.921 -0.501 1.00 0.00 C ATOM 563 CD GLN A 39 84.988 8.751 -0.157 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.273 8.984 1.016 1.00 0.00 O ATOM 565 NE2 GLN A 39 85.741 9.213 -1.119 1.00 0.00 N ATOM 0 H GLN A 39 80.673 9.556 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 39 81.280 7.204 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.820 8.819 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.805 9.839 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.356 7.458 0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.029 7.113 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 39 85.503 9.018 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.567 9.768 -0.898 1.00 0.00 H new ATOM 574 N ASP A 40 80.464 9.832 0.890 1.00 0.00 N ATOM 575 CA ASP A 40 80.118 10.262 2.240 1.00 0.00 C ATOM 576 C ASP A 40 79.133 9.283 2.871 1.00 0.00 C ATOM 577 O ASP A 40 79.228 8.967 4.057 1.00 0.00 O ATOM 578 CB ASP A 40 79.501 11.661 2.205 1.00 0.00 C ATOM 579 CG ASP A 40 79.945 12.457 3.429 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.517 12.116 4.520 1.00 0.00 O ATOM 581 OD2 ASP A 40 80.706 13.395 3.256 1.00 0.00 O ATOM 0 H ASP A 40 80.275 10.521 0.162 1.00 0.00 H new ATOM 0 HA ASP A 40 81.028 10.287 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.804 12.179 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.414 11.588 2.183 1.00 0.00 H new ATOM 586 N THR A 41 78.191 8.800 2.066 1.00 0.00 N ATOM 587 CA THR A 41 77.199 7.849 2.553 1.00 0.00 C ATOM 588 C THR A 41 77.865 6.521 2.883 1.00 0.00 C ATOM 589 O THR A 41 77.491 5.849 3.845 1.00 0.00 O ATOM 590 CB THR A 41 76.115 7.638 1.494 1.00 0.00 C ATOM 591 OG1 THR A 41 75.282 8.787 1.435 1.00 0.00 O ATOM 592 CG2 THR A 41 75.273 6.413 1.858 1.00 0.00 C ATOM 0 H THR A 41 78.094 9.049 1.082 1.00 0.00 H new ATOM 0 HA THR A 41 76.741 8.249 3.458 1.00 0.00 H new ATOM 0 HB THR A 41 76.583 7.478 0.523 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.588 8.654 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.501 6.264 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.913 5.532 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.804 6.569 2.830 1.00 0.00 H new ATOM 600 N ALA A 42 78.859 6.152 2.085 1.00 0.00 N ATOM 601 CA ALA A 42 79.578 4.905 2.309 1.00 0.00 C ATOM 602 C ALA A 42 80.386 4.992 3.599 1.00 0.00 C ATOM 603 O ALA A 42 80.539 4.004 4.316 1.00 0.00 O ATOM 604 CB ALA A 42 80.517 4.624 1.135 1.00 0.00 C ATOM 0 H ALA A 42 79.183 6.693 1.284 1.00 0.00 H new ATOM 0 HA ALA A 42 78.855 4.094 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.050 3.690 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 79.936 4.543 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.234 5.439 1.040 1.00 0.00 H new ATOM 610 N ARG A 43 80.898 6.184 3.886 1.00 0.00 N ATOM 611 CA ARG A 43 81.685 6.396 5.094 1.00 0.00 C ATOM 612 C ARG A 43 80.871 6.030 6.329 1.00 0.00 C ATOM 613 O ARG A 43 81.403 5.486 7.298 1.00 0.00 O ATOM 614 CB ARG A 43 82.121 7.859 5.181 1.00 0.00 C ATOM 615 CG ARG A 43 82.713 8.136 6.563 1.00 0.00 C ATOM 616 CD ARG A 43 83.439 9.482 6.545 1.00 0.00 C ATOM 617 NE ARG A 43 84.743 9.343 5.905 1.00 0.00 N ATOM 618 CZ ARG A 43 85.668 10.291 6.016 1.00 0.00 C ATOM 619 NH1 ARG A 43 85.415 11.372 6.701 1.00 0.00 N ATOM 620 NH2 ARG A 43 86.828 10.142 5.437 1.00 0.00 N ATOM 0 H ARG A 43 80.783 7.013 3.303 1.00 0.00 H new ATOM 0 HA ARG A 43 82.567 5.757 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.858 8.076 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.269 8.514 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 43 81.923 8.147 7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.405 7.341 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.840 10.219 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.563 9.850 7.563 1.00 0.00 H new ATOM 0 HE ARG A 43 84.948 8.504 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 43 84.507 11.490 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 43 86.125 12.100 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 43 87.025 9.298 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 43 87.538 10.870 5.522 1.00 0.00 H new ATOM 634 N GLY A 44 79.576 6.331 6.288 1.00 0.00 N ATOM 635 CA GLY A 44 78.695 6.029 7.410 1.00 0.00 C ATOM 636 C GLY A 44 78.697 4.535 7.714 1.00 0.00 C ATOM 637 O GLY A 44 78.743 4.129 8.874 1.00 0.00 O ATOM 0 H GLY A 44 79.117 6.780 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 44 79.017 6.584 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.681 6.356 7.180 1.00 0.00 H new ATOM 641 N GLN A 45 78.647 3.723 6.662 1.00 0.00 N ATOM 642 CA GLN A 45 78.642 2.271 6.825 1.00 0.00 C ATOM 643 C GLN A 45 79.881 1.807 7.586 1.00 0.00 C ATOM 644 O GLN A 45 79.829 0.839 8.344 1.00 0.00 O ATOM 645 CB GLN A 45 78.604 1.593 5.453 1.00 0.00 C ATOM 646 CG GLN A 45 77.208 1.748 4.845 1.00 0.00 C ATOM 647 CD GLN A 45 77.173 1.110 3.462 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.874 1.554 2.554 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.391 0.087 3.246 1.00 0.00 N ATOM 0 H GLN A 45 78.610 4.042 5.694 1.00 0.00 H new ATOM 0 HA GLN A 45 77.756 1.994 7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.350 2.038 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.854 0.537 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.466 1.279 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.947 2.804 4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.811 -0.280 4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.361 -0.346 2.323 1.00 0.00 H new ATOM 658 N ILE A 46 80.994 2.499 7.370 1.00 0.00 N ATOM 659 CA ILE A 46 82.247 2.147 8.032 1.00 0.00 C ATOM 660 C ILE A 46 82.186 2.441 9.527 1.00 0.00 C ATOM 661 O ILE A 46 82.674 1.657 10.338 1.00 0.00 O ATOM 662 CB ILE A 46 83.401 2.929 7.406 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.267 2.909 5.882 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.728 2.286 7.806 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.468 3.618 5.255 1.00 0.00 C ATOM 0 H ILE A 46 81.056 3.303 6.745 1.00 0.00 H new ATOM 0 HA ILE A 46 82.409 1.077 7.899 1.00 0.00 H new ATOM 0 HB ILE A 46 83.373 3.960 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.211 1.881 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.342 3.402 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.552 2.843 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.826 2.300 8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.754 1.255 7.453 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.373 3.604 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.503 4.650 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.385 3.106 5.545 1.00 0.00 H new ATOM 677 N ASN A 47 81.595 3.572 9.885 1.00 0.00 N ATOM 678 CA ASN A 47 81.496 3.947 11.290 1.00 0.00 C ATOM 679 C ASN A 47 80.880 2.821 12.106 1.00 0.00 C ATOM 680 O ASN A 47 81.416 2.425 13.141 1.00 0.00 O ATOM 681 CB ASN A 47 80.646 5.209 11.438 1.00 0.00 C ATOM 682 CG ASN A 47 81.511 6.449 11.243 1.00 0.00 C ATOM 683 OD1 ASN A 47 81.182 7.315 10.431 1.00 0.00 O ATOM 684 ND2 ASN A 47 82.604 6.586 11.941 1.00 0.00 N ATOM 0 H ASN A 47 81.182 4.239 9.233 1.00 0.00 H new ATOM 0 HA ASN A 47 82.502 4.141 11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.838 5.201 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.182 5.231 12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 47 83.189 7.412 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 47 82.874 5.867 12.613 1.00 0.00 H new ATOM 691 N ASP A 48 79.754 2.306 11.635 1.00 0.00 N ATOM 692 CA ASP A 48 79.078 1.224 12.332 1.00 0.00 C ATOM 693 C ASP A 48 79.858 -0.076 12.184 1.00 0.00 C ATOM 694 O ASP A 48 80.086 -0.794 13.157 1.00 0.00 O ATOM 695 CB ASP A 48 77.679 1.034 11.755 1.00 0.00 C ATOM 696 CG ASP A 48 77.748 1.053 10.232 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.973 2.117 9.682 1.00 0.00 O ATOM 698 OD2 ASP A 48 77.577 0.002 9.639 1.00 0.00 O ATOM 0 H ASP A 48 79.293 2.617 10.780 1.00 0.00 H new ATOM 0 HA ASP A 48 79.012 1.483 13.389 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.258 0.089 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.018 1.825 12.109 1.00 0.00 H new ATOM 703 N TYR A 49 80.253 -0.376 10.954 1.00 0.00 N ATOM 704 CA TYR A 49 80.995 -1.597 10.676 1.00 0.00 C ATOM 705 C TYR A 49 82.267 -1.672 11.516 1.00 0.00 C ATOM 706 O TYR A 49 82.490 -2.647 12.232 1.00 0.00 O ATOM 707 CB TYR A 49 81.359 -1.652 9.191 1.00 0.00 C ATOM 708 CG TYR A 49 81.943 -3.004 8.861 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.312 -3.238 9.043 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.118 -4.021 8.369 1.00 0.00 C ATOM 711 CE1 TYR A 49 83.854 -4.491 8.734 1.00 0.00 C ATOM 712 CE2 TYR A 49 81.660 -5.274 8.060 1.00 0.00 C ATOM 713 CZ TYR A 49 83.028 -5.509 8.242 1.00 0.00 C ATOM 714 OH TYR A 49 83.563 -6.744 7.936 1.00 0.00 O ATOM 0 H TYR A 49 80.073 0.207 10.137 1.00 0.00 H new ATOM 0 HA TYR A 49 80.362 -2.446 10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.473 -1.469 8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.077 -0.867 8.953 1.00 0.00 H new ATOM 0 HD1 TYR A 49 83.949 -2.452 9.421 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.063 -3.839 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 49 84.909 -4.673 8.875 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.023 -6.059 7.681 1.00 0.00 H new ATOM 0 HH TYR A 49 82.854 -7.336 7.608 1.00 0.00 H new ATOM 724 N ILE A 50 83.105 -0.644 11.421 1.00 0.00 N ATOM 725 CA ILE A 50 84.352 -0.627 12.177 1.00 0.00 C ATOM 726 C ILE A 50 84.101 -0.339 13.652 1.00 0.00 C ATOM 727 O ILE A 50 84.901 -0.714 14.509 1.00 0.00 O ATOM 728 CB ILE A 50 85.300 0.428 11.603 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.070 -0.177 10.428 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.288 0.876 12.684 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.887 0.913 9.736 1.00 0.00 C ATOM 0 H ILE A 50 82.947 0.177 10.837 1.00 0.00 H new ATOM 0 HA ILE A 50 84.808 -1.614 12.092 1.00 0.00 H new ATOM 0 HB ILE A 50 84.725 1.289 11.263 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.729 -0.970 10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.376 -0.630 9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.962 1.627 12.272 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.740 1.302 13.524 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.867 0.018 13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.435 0.481 8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.218 1.691 9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.591 1.346 10.446 1.00 0.00 H new ATOM 743 N SER A 51 82.998 0.343 13.944 1.00 0.00 N ATOM 744 CA SER A 51 82.681 0.687 15.328 1.00 0.00 C ATOM 745 C SER A 51 81.370 0.052 15.791 1.00 0.00 C ATOM 746 O SER A 51 80.615 0.666 16.545 1.00 0.00 O ATOM 747 CB SER A 51 82.586 2.206 15.471 1.00 0.00 C ATOM 748 OG SER A 51 81.221 2.598 15.440 1.00 0.00 O ATOM 0 H SER A 51 82.318 0.664 13.255 1.00 0.00 H new ATOM 0 HA SER A 51 83.482 0.296 15.956 1.00 0.00 H new ATOM 0 HB2 SER A 51 83.046 2.524 16.407 1.00 0.00 H new ATOM 0 HB3 SER A 51 83.134 2.693 14.665 1.00 0.00 H new ATOM 0 HG SER A 51 80.954 2.779 14.515 1.00 0.00 H new ATOM 754 N ARG A 52 81.104 -1.179 15.361 1.00 0.00 N ATOM 755 CA ARG A 52 79.878 -1.859 15.777 1.00 0.00 C ATOM 756 C ARG A 52 79.704 -3.194 15.059 1.00 0.00 C ATOM 757 O ARG A 52 79.273 -4.173 15.667 1.00 0.00 O ATOM 758 CB ARG A 52 78.658 -0.956 15.526 1.00 0.00 C ATOM 759 CG ARG A 52 77.604 -1.676 14.671 1.00 0.00 C ATOM 760 CD ARG A 52 76.395 -0.757 14.492 1.00 0.00 C ATOM 761 NE ARG A 52 75.544 -0.813 15.674 1.00 0.00 N ATOM 762 CZ ARG A 52 74.467 -0.043 15.782 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.156 0.783 14.822 1.00 0.00 N ATOM 764 NH2 ARG A 52 73.720 -0.113 16.850 1.00 0.00 N ATOM 0 H ARG A 52 81.706 -1.718 14.738 1.00 0.00 H new ATOM 0 HA ARG A 52 79.958 -2.065 16.844 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.218 -0.661 16.479 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.975 -0.042 15.024 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.023 -1.940 13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.302 -2.607 15.151 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.729 0.267 14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.827 -1.057 13.611 1.00 0.00 H new ATOM 0 HE ARG A 52 75.780 -1.454 16.431 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.740 0.838 13.987 1.00 0.00 H new ATOM 0 HH12 ARG A 52 73.329 1.374 14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 52 73.963 -0.759 17.601 1.00 0.00 H new ATOM 0 HH22 ARG A 52 72.893 0.478 16.933 1.00 0.00 H new ATOM 778 N TYR A 53 80.020 -3.233 13.769 1.00 0.00 N ATOM 779 CA TYR A 53 79.861 -4.471 13.012 1.00 0.00 C ATOM 780 C TYR A 53 81.097 -4.771 12.171 1.00 0.00 C ATOM 781 O TYR A 53 81.088 -4.612 10.950 1.00 0.00 O ATOM 782 CB TYR A 53 78.623 -4.377 12.112 1.00 0.00 C ATOM 783 CG TYR A 53 77.424 -4.945 12.840 1.00 0.00 C ATOM 784 CD1 TYR A 53 77.426 -6.278 13.276 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.310 -4.134 13.084 1.00 0.00 C ATOM 786 CE1 TYR A 53 76.316 -6.795 13.955 1.00 0.00 C ATOM 787 CE2 TYR A 53 75.200 -4.651 13.761 1.00 0.00 C ATOM 788 CZ TYR A 53 75.203 -5.981 14.198 1.00 0.00 C ATOM 789 OH TYR A 53 74.108 -6.490 14.866 1.00 0.00 O ATOM 0 H TYR A 53 80.380 -2.442 13.235 1.00 0.00 H new ATOM 0 HA TYR A 53 79.732 -5.288 13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.437 -3.338 11.839 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.792 -4.925 11.185 1.00 0.00 H new ATOM 0 HD1 TYR A 53 78.284 -6.906 13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.307 -3.107 12.749 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.318 -7.821 14.291 1.00 0.00 H new ATOM 0 HE2 TYR A 53 74.341 -4.024 13.947 1.00 0.00 H new ATOM 0 HH TYR A 53 73.424 -5.793 14.952 1.00 0.00 H new ATOM 799 N ARG A 54 82.160 -5.219 12.834 1.00 0.00 N ATOM 800 CA ARG A 54 83.399 -5.552 12.142 1.00 0.00 C ATOM 801 C ARG A 54 83.610 -7.062 12.123 1.00 0.00 C ATOM 802 O ARG A 54 83.803 -7.660 11.065 1.00 0.00 O ATOM 803 CB ARG A 54 84.584 -4.880 12.838 1.00 0.00 C ATOM 804 CG ARG A 54 85.889 -5.503 12.338 1.00 0.00 C ATOM 805 CD ARG A 54 87.067 -4.614 12.741 1.00 0.00 C ATOM 806 NE ARG A 54 86.959 -4.244 14.147 1.00 0.00 N ATOM 807 CZ ARG A 54 87.492 -3.116 14.604 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.122 -2.315 13.788 1.00 0.00 N ATOM 809 NH2 ARG A 54 87.384 -2.808 15.867 1.00 0.00 N ATOM 0 H ARG A 54 82.187 -5.359 13.844 1.00 0.00 H new ATOM 0 HA ARG A 54 83.328 -5.191 11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.579 -3.809 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.501 -5.001 13.918 1.00 0.00 H new ATOM 0 HG2 ARG A 54 86.012 -6.501 12.759 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.859 -5.615 11.254 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.006 -5.140 12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 54 87.084 -3.717 12.121 1.00 0.00 H new ATOM 0 HE ARG A 54 86.466 -4.862 14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.205 -2.555 12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.531 -1.449 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.890 -3.433 16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.793 -1.942 16.218 1.00 0.00 H new ATOM 823 N ARG A 55 83.570 -7.673 13.303 1.00 0.00 N ATOM 824 CA ARG A 55 83.758 -9.116 13.413 1.00 0.00 C ATOM 825 C ARG A 55 83.041 -9.838 12.278 1.00 0.00 C ATOM 826 O ARG A 55 82.052 -9.340 11.738 1.00 0.00 O ATOM 827 CB ARG A 55 83.219 -9.613 14.757 1.00 0.00 C ATOM 828 CG ARG A 55 83.869 -8.822 15.894 1.00 0.00 C ATOM 829 CD ARG A 55 84.850 -9.721 16.648 1.00 0.00 C ATOM 830 NE ARG A 55 85.510 -8.971 17.711 1.00 0.00 N ATOM 831 CZ ARG A 55 84.934 -8.811 18.898 1.00 0.00 C ATOM 832 NH1 ARG A 55 83.757 -9.329 19.126 1.00 0.00 N ATOM 833 NH2 ARG A 55 85.544 -8.138 19.834 1.00 0.00 N ATOM 0 H ARG A 55 83.410 -7.196 14.190 1.00 0.00 H new ATOM 0 HA ARG A 55 84.825 -9.330 13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 55 82.136 -9.496 14.792 1.00 0.00 H new ATOM 0 HB3 ARG A 55 83.429 -10.676 14.874 1.00 0.00 H new ATOM 0 HG2 ARG A 55 84.391 -7.952 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 55 83.104 -8.449 16.575 1.00 0.00 H new ATOM 0 HD2 ARG A 55 84.320 -10.575 17.071 1.00 0.00 H new ATOM 0 HD3 ARG A 55 85.594 -10.118 15.958 1.00 0.00 H new ATOM 0 HE ARG A 55 86.429 -8.563 17.540 1.00 0.00 H new ATOM 0 HH11 ARG A 55 83.281 -9.856 18.394 1.00 0.00 H new ATOM 0 HH12 ARG A 55 83.314 -9.207 20.037 1.00 0.00 H new ATOM 0 HH21 ARG A 55 86.463 -7.734 19.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 85.102 -8.015 20.745 1.00 0.00 H new ATOM 847 N LYS A 56 83.546 -11.014 11.919 1.00 0.00 N ATOM 848 CA LYS A 56 82.945 -11.797 10.845 1.00 0.00 C ATOM 849 C LYS A 56 83.225 -13.284 11.044 1.00 0.00 C ATOM 850 O LYS A 56 83.087 -14.081 10.117 1.00 0.00 O ATOM 851 CB LYS A 56 83.505 -11.346 9.495 1.00 0.00 C ATOM 852 CG LYS A 56 84.910 -10.769 9.691 1.00 0.00 C ATOM 853 CD LYS A 56 85.606 -10.630 8.334 1.00 0.00 C ATOM 854 CE LYS A 56 85.027 -9.431 7.580 1.00 0.00 C ATOM 855 NZ LYS A 56 85.884 -9.132 6.397 1.00 0.00 N ATOM 0 H LYS A 56 84.364 -11.443 12.352 1.00 0.00 H new ATOM 0 HA LYS A 56 81.867 -11.637 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.540 -12.188 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.851 -10.596 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.849 -9.797 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 56 85.492 -11.419 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.679 -10.499 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.470 -11.540 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 56 84.008 -9.646 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 56 84.978 -8.563 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.871 -8.109 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.860 -9.436 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.520 -9.642 5.567 1.00 0.00 H new ATOM 869 N GLY A 57 83.620 -13.650 12.261 1.00 0.00 N ATOM 870 CA GLY A 57 83.917 -15.044 12.571 1.00 0.00 C ATOM 871 C GLY A 57 85.410 -15.325 12.435 1.00 0.00 C ATOM 872 O GLY A 57 85.887 -16.393 12.819 1.00 0.00 O ATOM 0 H GLY A 57 83.741 -13.006 13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 57 83.591 -15.273 13.586 1.00 0.00 H new ATOM 0 HA3 GLY A 57 83.357 -15.697 11.901 1.00 0.00 H new ATOM 876 N ASP A 58 86.141 -14.360 11.889 1.00 0.00 N ATOM 877 CA ASP A 58 87.580 -14.512 11.708 1.00 0.00 C ATOM 878 C ASP A 58 87.908 -15.876 11.108 1.00 0.00 C ATOM 879 O ASP A 58 88.113 -16.851 11.831 1.00 0.00 O ATOM 880 CB ASP A 58 88.293 -14.362 13.053 1.00 0.00 C ATOM 881 CG ASP A 58 89.742 -14.822 12.930 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.537 -14.072 12.388 1.00 0.00 O ATOM 883 OD2 ASP A 58 90.035 -15.918 13.379 1.00 0.00 O ATOM 0 H ASP A 58 85.764 -13.469 11.566 1.00 0.00 H new ATOM 0 HA ASP A 58 87.923 -13.736 11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.259 -13.322 13.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 87.780 -14.950 13.814 1.00 0.00 H new ATOM 912 N LEU A 62 92.357 -12.892 6.969 1.00 0.00 N ATOM 913 CA LEU A 62 92.167 -12.728 5.532 1.00 0.00 C ATOM 914 C LEU A 62 92.648 -11.353 5.080 1.00 0.00 C ATOM 915 O LEU A 62 92.666 -10.403 5.863 1.00 0.00 O ATOM 916 CB LEU A 62 90.687 -12.891 5.179 1.00 0.00 C ATOM 917 CG LEU A 62 89.833 -12.142 6.202 1.00 0.00 C ATOM 918 CD1 LEU A 62 88.672 -11.447 5.489 1.00 0.00 C ATOM 919 CD2 LEU A 62 89.278 -13.135 7.226 1.00 0.00 C ATOM 0 HA LEU A 62 92.751 -13.492 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.496 -12.505 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.419 -13.947 5.169 1.00 0.00 H new ATOM 0 HG LEU A 62 90.446 -11.397 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.064 -10.913 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.065 -10.740 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.059 -12.191 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 62 88.669 -12.602 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 62 88.666 -13.879 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 62 90.104 -13.632 7.736 1.00 0.00 H new ATOM 931 N LYS A 63 93.034 -11.254 3.812 1.00 0.00 N ATOM 932 CA LYS A 63 93.511 -9.990 3.265 1.00 0.00 C ATOM 933 C LYS A 63 92.338 -9.080 2.911 1.00 0.00 C ATOM 934 O LYS A 63 92.497 -7.865 2.794 1.00 0.00 O ATOM 935 CB LYS A 63 94.356 -10.245 2.016 1.00 0.00 C ATOM 936 CG LYS A 63 95.455 -11.261 2.339 1.00 0.00 C ATOM 937 CD LYS A 63 95.403 -12.407 1.328 1.00 0.00 C ATOM 938 CE LYS A 63 95.605 -11.854 -0.083 1.00 0.00 C ATOM 939 NZ LYS A 63 96.461 -12.788 -0.867 1.00 0.00 N ATOM 0 H LYS A 63 93.026 -12.028 3.148 1.00 0.00 H new ATOM 0 HA LYS A 63 94.122 -9.498 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 63 93.726 -10.619 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.800 -9.312 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.432 -10.778 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 95.322 -11.647 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.175 -13.142 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 94.444 -12.921 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.641 -11.727 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 63 96.071 -10.870 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 96.598 -12.411 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 97.385 -12.888 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.999 -13.718 -0.923 1.00 0.00 H new ATOM 953 N SER A 64 91.162 -9.677 2.743 1.00 0.00 N ATOM 954 CA SER A 64 89.970 -8.908 2.404 1.00 0.00 C ATOM 955 C SER A 64 89.674 -7.877 3.488 1.00 0.00 C ATOM 956 O SER A 64 89.346 -6.729 3.194 1.00 0.00 O ATOM 957 CB SER A 64 88.772 -9.843 2.245 1.00 0.00 C ATOM 958 OG SER A 64 88.281 -9.754 0.915 1.00 0.00 O ATOM 0 H SER A 64 91.009 -10.681 2.835 1.00 0.00 H new ATOM 0 HA SER A 64 90.150 -8.389 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.064 -10.869 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 64 87.989 -9.573 2.953 1.00 0.00 H new ATOM 0 HG SER A 64 87.513 -10.354 0.809 1.00 0.00 H new ATOM 964 N PHE A 65 89.797 -8.296 4.744 1.00 0.00 N ATOM 965 CA PHE A 65 89.545 -7.398 5.863 1.00 0.00 C ATOM 966 C PHE A 65 90.642 -6.343 5.951 1.00 0.00 C ATOM 967 O PHE A 65 90.363 -5.155 6.113 1.00 0.00 O ATOM 968 CB PHE A 65 89.492 -8.194 7.170 1.00 0.00 C ATOM 969 CG PHE A 65 89.857 -7.292 8.325 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.097 -6.146 8.585 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.954 -7.604 9.138 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.434 -5.311 9.657 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.291 -6.769 10.209 1.00 0.00 C ATOM 974 CZ PHE A 65 90.531 -5.622 10.470 1.00 0.00 C ATOM 0 H PHE A 65 90.067 -9.243 5.010 1.00 0.00 H new ATOM 0 HA PHE A 65 88.588 -6.902 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.493 -8.605 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.180 -9.038 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.251 -5.906 7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.540 -8.489 8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 65 88.848 -4.426 9.857 1.00 0.00 H new ATOM 0 HE2 PHE A 65 92.138 -7.009 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.791 -4.978 11.297 1.00 0.00 H new ATOM 984 N THR A 66 91.889 -6.788 5.838 1.00 0.00 N ATOM 985 CA THR A 66 93.023 -5.874 5.901 1.00 0.00 C ATOM 986 C THR A 66 92.889 -4.789 4.841 1.00 0.00 C ATOM 987 O THR A 66 93.481 -3.715 4.960 1.00 0.00 O ATOM 988 CB THR A 66 94.328 -6.643 5.687 1.00 0.00 C ATOM 989 OG1 THR A 66 94.189 -7.962 6.194 1.00 0.00 O ATOM 990 CG2 THR A 66 95.467 -5.929 6.416 1.00 0.00 C ATOM 0 H THR A 66 92.139 -7.768 5.703 1.00 0.00 H new ATOM 0 HA THR A 66 93.037 -5.407 6.886 1.00 0.00 H new ATOM 0 HB THR A 66 94.554 -6.687 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.024 -8.455 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.397 -6.477 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.573 -4.918 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.244 -5.882 7.482 1.00 0.00 H new ATOM 998 N THR A 67 92.107 -5.070 3.804 1.00 0.00 N ATOM 999 CA THR A 67 91.906 -4.108 2.734 1.00 0.00 C ATOM 1000 C THR A 67 91.006 -2.975 3.205 1.00 0.00 C ATOM 1001 O THR A 67 91.255 -1.809 2.910 1.00 0.00 O ATOM 1002 CB THR A 67 91.258 -4.788 1.533 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.123 -6.179 1.791 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.118 -4.576 0.287 1.00 0.00 C ATOM 0 H THR A 67 91.606 -5.951 3.685 1.00 0.00 H new ATOM 0 HA THR A 67 92.878 -3.706 2.448 1.00 0.00 H new ATOM 0 HB THR A 67 90.273 -4.353 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.011 -6.583 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 67 91.648 -5.065 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 67 92.212 -3.509 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.107 -5.003 0.451 1.00 0.00 H new ATOM 1012 N MET A 68 89.955 -3.326 3.938 1.00 0.00 N ATOM 1013 CA MET A 68 89.027 -2.324 4.438 1.00 0.00 C ATOM 1014 C MET A 68 89.792 -1.213 5.146 1.00 0.00 C ATOM 1015 O MET A 68 89.461 -0.038 5.013 1.00 0.00 O ATOM 1016 CB MET A 68 88.028 -2.965 5.407 1.00 0.00 C ATOM 1017 CG MET A 68 87.033 -3.834 4.629 1.00 0.00 C ATOM 1018 SD MET A 68 85.591 -4.173 5.668 1.00 0.00 S ATOM 1019 CE MET A 68 84.765 -5.325 4.543 1.00 0.00 C ATOM 0 H MET A 68 89.728 -4.286 4.196 1.00 0.00 H new ATOM 0 HA MET A 68 88.481 -1.901 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.558 -3.572 6.141 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.495 -2.191 5.959 1.00 0.00 H new ATOM 0 HG2 MET A 68 86.725 -3.325 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.507 -4.769 4.329 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.799 -4.916 4.248 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.382 -5.473 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.616 -6.281 5.046 1.00 0.00 H new ATOM 1029 N GLN A 69 90.822 -1.595 5.894 1.00 0.00 N ATOM 1030 CA GLN A 69 91.633 -0.619 6.613 1.00 0.00 C ATOM 1031 C GLN A 69 92.628 0.048 5.670 1.00 0.00 C ATOM 1032 O GLN A 69 92.984 1.212 5.854 1.00 0.00 O ATOM 1033 CB GLN A 69 92.385 -1.303 7.756 1.00 0.00 C ATOM 1034 CG GLN A 69 92.775 -0.261 8.807 1.00 0.00 C ATOM 1035 CD GLN A 69 93.735 -0.875 9.819 1.00 0.00 C ATOM 1036 OE1 GLN A 69 93.902 -2.095 9.857 1.00 0.00 O ATOM 1037 NE2 GLN A 69 94.381 -0.100 10.647 1.00 0.00 N ATOM 0 H GLN A 69 91.113 -2.565 6.018 1.00 0.00 H new ATOM 0 HA GLN A 69 90.972 0.144 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.760 -2.073 8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.276 -1.800 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.243 0.597 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 69 91.883 0.106 9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 69 94.242 0.910 10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 69 95.025 -0.504 11.327 1.00 0.00 H new ATOM 1046 N THR A 70 93.075 -0.692 4.660 1.00 0.00 N ATOM 1047 CA THR A 70 94.029 -0.148 3.700 1.00 0.00 C ATOM 1048 C THR A 70 93.342 0.866 2.794 1.00 0.00 C ATOM 1049 O THR A 70 93.834 1.979 2.608 1.00 0.00 O ATOM 1050 CB THR A 70 94.627 -1.275 2.853 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.113 -2.301 3.708 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.778 -0.734 1.999 1.00 0.00 C ATOM 0 H THR A 70 92.796 -1.658 4.486 1.00 0.00 H new ATOM 0 HA THR A 70 94.829 0.349 4.249 1.00 0.00 H new ATOM 0 HB THR A 70 93.855 -1.678 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.428 -2.995 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.198 -1.542 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.405 0.050 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.552 -0.325 2.648 1.00 0.00 H new ATOM 1060 N ALA A 71 92.197 0.481 2.235 1.00 0.00 N ATOM 1061 CA ALA A 71 91.455 1.376 1.358 1.00 0.00 C ATOM 1062 C ALA A 71 90.860 2.532 2.158 1.00 0.00 C ATOM 1063 O ALA A 71 90.738 3.644 1.651 1.00 0.00 O ATOM 1064 CB ALA A 71 90.342 0.620 0.634 1.00 0.00 C ATOM 0 H ALA A 71 91.769 -0.434 2.373 1.00 0.00 H new ATOM 0 HA ALA A 71 92.147 1.776 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.799 1.306 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.776 -0.181 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.655 0.194 1.366 1.00 0.00 H new ATOM 1070 N LEU A 72 90.488 2.263 3.407 1.00 0.00 N ATOM 1071 CA LEU A 72 89.906 3.300 4.258 1.00 0.00 C ATOM 1072 C LEU A 72 90.827 4.514 4.307 1.00 0.00 C ATOM 1073 O LEU A 72 90.413 5.631 3.995 1.00 0.00 O ATOM 1074 CB LEU A 72 89.691 2.754 5.675 1.00 0.00 C ATOM 1075 CG LEU A 72 89.368 3.899 6.640 1.00 0.00 C ATOM 1076 CD1 LEU A 72 88.201 4.721 6.090 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.977 3.316 8.000 1.00 0.00 C ATOM 0 H LEU A 72 90.577 1.348 3.849 1.00 0.00 H new ATOM 0 HA LEU A 72 88.945 3.600 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.877 2.029 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.585 2.228 6.010 1.00 0.00 H new ATOM 0 HG LEU A 72 90.243 4.540 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.973 5.535 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.472 5.133 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.325 4.082 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.746 4.127 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 72 88.101 2.678 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.805 2.728 8.395 1.00 0.00 H new ATOM 1089 N ASN A 73 92.077 4.291 4.693 1.00 0.00 N ATOM 1090 CA ASN A 73 93.042 5.381 4.769 1.00 0.00 C ATOM 1091 C ASN A 73 93.210 6.039 3.401 1.00 0.00 C ATOM 1092 O ASN A 73 93.408 7.249 3.304 1.00 0.00 O ATOM 1093 CB ASN A 73 94.394 4.853 5.254 1.00 0.00 C ATOM 1094 CG ASN A 73 94.725 5.445 6.619 1.00 0.00 C ATOM 1095 OD1 ASN A 73 95.872 5.806 6.879 1.00 0.00 O ATOM 1096 ND2 ASN A 73 93.782 5.567 7.513 1.00 0.00 N ATOM 0 H ASN A 73 92.444 3.376 4.956 1.00 0.00 H new ATOM 0 HA ASN A 73 92.671 6.123 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.368 3.765 5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 73 95.173 5.112 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 73 93.995 5.962 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.832 5.267 7.296 1.00 0.00 H new ATOM 1103 N SER A 74 93.128 5.230 2.348 1.00 0.00 N ATOM 1104 CA SER A 74 93.273 5.739 0.988 1.00 0.00 C ATOM 1105 C SER A 74 92.059 6.575 0.590 1.00 0.00 C ATOM 1106 O SER A 74 92.200 7.689 0.087 1.00 0.00 O ATOM 1107 CB SER A 74 93.432 4.573 0.011 1.00 0.00 C ATOM 1108 OG SER A 74 94.341 3.625 0.553 1.00 0.00 O ATOM 0 H SER A 74 92.963 4.225 2.410 1.00 0.00 H new ATOM 0 HA SER A 74 94.160 6.371 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.466 4.103 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.797 4.936 -0.950 1.00 0.00 H new ATOM 0 HG SER A 74 93.852 2.985 1.111 1.00 0.00 H new ATOM 1114 N LEU A 75 90.869 6.031 0.820 1.00 0.00 N ATOM 1115 CA LEU A 75 89.639 6.735 0.483 1.00 0.00 C ATOM 1116 C LEU A 75 89.710 8.168 0.968 1.00 0.00 C ATOM 1117 O LEU A 75 89.717 9.117 0.184 1.00 0.00 O ATOM 1118 CB LEU A 75 88.442 6.065 1.165 1.00 0.00 C ATOM 1119 CG LEU A 75 88.127 4.753 0.464 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.454 3.780 1.435 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.188 5.018 -0.716 1.00 0.00 C ATOM 0 H LEU A 75 90.731 5.110 1.236 1.00 0.00 H new ATOM 0 HA LEU A 75 89.520 6.707 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.664 5.883 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.575 6.725 1.132 1.00 0.00 H new ATOM 0 HG LEU A 75 89.058 4.313 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.234 2.845 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.121 3.583 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.526 4.218 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.962 4.078 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.264 5.466 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.669 5.699 -1.418 1.00 0.00 H new ATOM 1133 N ALA A 76 89.750 8.299 2.283 1.00 0.00 N ATOM 1134 CA ALA A 76 89.807 9.609 2.922 1.00 0.00 C ATOM 1135 C ALA A 76 90.839 10.498 2.237 1.00 0.00 C ATOM 1136 O ALA A 76 90.661 11.713 2.148 1.00 0.00 O ATOM 1137 CB ALA A 76 90.167 9.452 4.400 1.00 0.00 C ATOM 0 H ALA A 76 89.744 7.513 2.933 1.00 0.00 H new ATOM 0 HA ALA A 76 88.827 10.078 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 76 90.208 10.434 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.411 8.843 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.139 8.967 4.488 1.00 0.00 H new ATOM 1143 N GLY A 77 91.913 9.889 1.751 1.00 0.00 N ATOM 1144 CA GLY A 77 92.958 10.644 1.072 1.00 0.00 C ATOM 1145 C GLY A 77 92.372 11.455 -0.077 1.00 0.00 C ATOM 1146 O GLY A 77 92.826 12.563 -0.366 1.00 0.00 O ATOM 0 H GLY A 77 92.083 8.885 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.452 11.310 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.719 9.962 0.692 1.00 0.00 H new ATOM 1150 N TYR A 78 91.360 10.892 -0.728 1.00 0.00 N ATOM 1151 CA TYR A 78 90.710 11.565 -1.846 1.00 0.00 C ATOM 1152 C TYR A 78 89.830 12.706 -1.346 1.00 0.00 C ATOM 1153 O TYR A 78 89.840 13.802 -1.907 1.00 0.00 O ATOM 1154 CB TYR A 78 89.861 10.562 -2.632 1.00 0.00 C ATOM 1155 CG TYR A 78 88.916 11.306 -3.543 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.413 12.245 -4.454 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.539 11.057 -3.476 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.535 12.934 -5.299 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.661 11.747 -4.321 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.159 12.685 -5.233 1.00 0.00 C ATOM 1161 OH TYR A 78 86.294 13.364 -6.065 1.00 0.00 O ATOM 0 H TYR A 78 90.974 9.975 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 78 91.479 11.979 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.504 9.905 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.298 9.929 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.474 12.438 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.155 10.333 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 78 88.919 13.658 -6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.599 11.555 -4.269 1.00 0.00 H new ATOM 0 HH TYR A 78 85.375 13.072 -5.890 1.00 0.00 H new ATOM 1171 N TYR A 79 89.070 12.442 -0.288 1.00 0.00 N ATOM 1172 CA TYR A 79 88.188 13.456 0.280 1.00 0.00 C ATOM 1173 C TYR A 79 88.999 14.637 0.802 1.00 0.00 C ATOM 1174 O TYR A 79 88.711 15.790 0.485 1.00 0.00 O ATOM 1175 CB TYR A 79 87.365 12.856 1.420 1.00 0.00 C ATOM 1176 CG TYR A 79 87.034 13.935 2.424 1.00 0.00 C ATOM 1177 CD1 TYR A 79 86.077 14.909 2.116 1.00 0.00 C ATOM 1178 CD2 TYR A 79 87.687 13.961 3.663 1.00 0.00 C ATOM 1179 CE1 TYR A 79 85.773 15.910 3.048 1.00 0.00 C ATOM 1180 CE2 TYR A 79 87.382 14.961 4.594 1.00 0.00 C ATOM 1181 CZ TYR A 79 86.425 15.936 4.286 1.00 0.00 C ATOM 1182 OH TYR A 79 86.125 16.922 5.204 1.00 0.00 O ATOM 0 H TYR A 79 89.046 11.542 0.191 1.00 0.00 H new ATOM 0 HA TYR A 79 87.517 13.807 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.448 12.415 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.923 12.054 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 85.573 14.889 1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 79 88.426 13.210 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 79 85.035 16.662 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 79 87.885 14.981 5.550 1.00 0.00 H new ATOM 0 HH TYR A 79 86.666 16.793 6.011 1.00 0.00 H new ATOM 1192 N THR A 80 90.017 14.340 1.605 1.00 0.00 N ATOM 1193 CA THR A 80 90.864 15.387 2.165 1.00 0.00 C ATOM 1194 C THR A 80 91.629 16.102 1.058 1.00 0.00 C ATOM 1195 O THR A 80 91.835 17.315 1.115 1.00 0.00 O ATOM 1196 CB THR A 80 91.853 14.783 3.165 1.00 0.00 C ATOM 1197 OG1 THR A 80 91.140 14.044 4.146 1.00 0.00 O ATOM 1198 CG2 THR A 80 92.645 15.903 3.839 1.00 0.00 C ATOM 0 H THR A 80 90.273 13.392 1.880 1.00 0.00 H new ATOM 0 HA THR A 80 90.228 16.108 2.678 1.00 0.00 H new ATOM 0 HB THR A 80 92.542 14.119 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.870 13.179 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 80 93.349 15.473 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 80 93.192 16.467 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.959 16.569 4.364 1.00 0.00 H new ATOM 1206 N SER A 81 92.046 15.344 0.049 1.00 0.00 N ATOM 1207 CA SER A 81 92.784 15.918 -1.068 1.00 0.00 C ATOM 1208 C SER A 81 92.037 17.119 -1.639 1.00 0.00 C ATOM 1209 O SER A 81 90.927 17.431 -1.209 1.00 0.00 O ATOM 1210 CB SER A 81 92.977 14.866 -2.161 1.00 0.00 C ATOM 1211 OG SER A 81 94.261 14.271 -2.019 1.00 0.00 O ATOM 0 H SER A 81 91.887 14.339 -0.018 1.00 0.00 H new ATOM 0 HA SER A 81 93.758 16.248 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 81 92.201 14.104 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.883 15.326 -3.145 1.00 0.00 H new ATOM 0 HG SER A 81 94.203 13.512 -1.402 1.00 0.00 H new ATOM 1217 N TYR A 82 92.653 17.789 -2.607 1.00 0.00 N ATOM 1218 CA TYR A 82 92.034 18.955 -3.226 1.00 0.00 C ATOM 1219 C TYR A 82 90.638 18.616 -3.735 1.00 0.00 C ATOM 1220 O TYR A 82 89.838 19.506 -4.023 1.00 0.00 O ATOM 1221 CB TYR A 82 92.894 19.450 -4.390 1.00 0.00 C ATOM 1222 CG TYR A 82 93.565 20.746 -4.004 1.00 0.00 C ATOM 1223 CD1 TYR A 82 92.841 21.944 -4.034 1.00 0.00 C ATOM 1224 CD2 TYR A 82 94.910 20.749 -3.617 1.00 0.00 C ATOM 1225 CE1 TYR A 82 93.464 23.146 -3.676 1.00 0.00 C ATOM 1226 CE2 TYR A 82 95.532 21.952 -3.260 1.00 0.00 C ATOM 1227 CZ TYR A 82 94.809 23.150 -3.290 1.00 0.00 C ATOM 1228 OH TYR A 82 95.422 24.335 -2.937 1.00 0.00 O ATOM 0 H TYR A 82 93.572 17.548 -2.977 1.00 0.00 H new ATOM 0 HA TYR A 82 91.954 19.739 -2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 82 93.644 18.702 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 82 92.276 19.598 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 82 91.803 21.941 -4.333 1.00 0.00 H new ATOM 0 HD2 TYR A 82 95.468 19.824 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 82 92.906 24.070 -3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 82 96.570 21.955 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 82 96.355 24.161 -2.694 1.00 0.00 H new ATOM 1238 N GLY A 83 90.350 17.323 -3.845 1.00 0.00 N ATOM 1239 CA GLY A 83 89.047 16.881 -4.323 1.00 0.00 C ATOM 1240 C GLY A 83 88.748 17.463 -5.700 1.00 0.00 C ATOM 1241 O GLY A 83 89.566 18.183 -6.271 1.00 0.00 O ATOM 0 H GLY A 83 90.996 16.569 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.022 15.792 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 83 88.274 17.187 -3.618 1.00 0.00 H new ATOM 1245 N ALA A 84 87.571 17.145 -6.228 1.00 0.00 N ATOM 1246 CA ALA A 84 87.175 17.641 -7.541 1.00 0.00 C ATOM 1247 C ALA A 84 88.376 17.688 -8.479 1.00 0.00 C ATOM 1248 O ALA A 84 88.534 18.630 -9.256 1.00 0.00 O ATOM 1249 CB ALA A 84 86.572 19.041 -7.408 1.00 0.00 C ATOM 0 H ALA A 84 86.879 16.551 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 84 86.430 16.963 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.278 19.406 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.696 19.000 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.311 19.716 -6.977 1.00 0.00 H new ATOM 1255 N ARG A 85 89.219 16.665 -8.402 1.00 0.00 N ATOM 1256 CA ARG A 85 90.405 16.597 -9.249 1.00 0.00 C ATOM 1257 C ARG A 85 90.776 15.143 -9.532 1.00 0.00 C ATOM 1258 O ARG A 85 90.415 14.245 -8.772 1.00 0.00 O ATOM 1259 CB ARG A 85 91.577 17.298 -8.560 1.00 0.00 C ATOM 1260 CG ARG A 85 91.701 18.727 -9.087 1.00 0.00 C ATOM 1261 CD ARG A 85 92.852 19.432 -8.368 1.00 0.00 C ATOM 1262 NE ARG A 85 92.515 20.829 -8.124 1.00 0.00 N ATOM 1263 CZ ARG A 85 93.462 21.749 -7.981 1.00 0.00 C ATOM 1264 NH1 ARG A 85 94.719 21.408 -8.065 1.00 0.00 N ATOM 1265 NH2 ARG A 85 93.135 22.993 -7.761 1.00 0.00 N ATOM 0 H ARG A 85 89.105 15.876 -7.766 1.00 0.00 H new ATOM 0 HA ARG A 85 90.186 17.096 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 85 91.423 17.310 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.501 16.750 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.881 18.716 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.769 19.269 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 85 93.061 18.931 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.759 19.369 -8.970 1.00 0.00 H new ATOM 0 HE ARG A 85 91.535 21.105 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 85 94.973 20.436 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 85 95.447 22.114 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 85 92.152 23.259 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 85 93.862 23.700 -7.651 1.00 0.00 H new ATOM 1279 N PRO A 86 91.491 14.899 -10.599 1.00 0.00 N ATOM 1280 CA PRO A 86 91.921 13.526 -10.979 1.00 0.00 C ATOM 1281 C PRO A 86 92.362 12.706 -9.769 1.00 0.00 C ATOM 1282 O PRO A 86 93.319 13.062 -9.083 1.00 0.00 O ATOM 1283 CB PRO A 86 93.094 13.768 -11.928 1.00 0.00 C ATOM 1284 CG PRO A 86 92.860 15.117 -12.530 1.00 0.00 C ATOM 1285 CD PRO A 86 91.969 15.905 -11.562 1.00 0.00 C ATOM 0 HA PRO A 86 91.111 12.952 -11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.043 13.738 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.139 12.998 -12.699 1.00 0.00 H new ATOM 0 HG2 PRO A 86 93.806 15.635 -12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.380 15.024 -13.504 1.00 0.00 H new ATOM 0 HD2 PRO A 86 92.528 16.697 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.139 16.380 -12.084 1.00 0.00 H new ATOM 1293 N ILE A 87 91.658 11.609 -9.515 1.00 0.00 N ATOM 1294 CA ILE A 87 91.989 10.747 -8.386 1.00 0.00 C ATOM 1295 C ILE A 87 93.476 10.376 -8.415 1.00 0.00 C ATOM 1296 O ILE A 87 93.911 9.651 -9.309 1.00 0.00 O ATOM 1297 CB ILE A 87 91.158 9.465 -8.443 1.00 0.00 C ATOM 1298 CG1 ILE A 87 89.736 9.791 -8.903 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.107 8.829 -7.052 1.00 0.00 C ATOM 1300 CD1 ILE A 87 88.828 8.593 -8.622 1.00 0.00 C ATOM 0 H ILE A 87 90.861 11.297 -10.070 1.00 0.00 H new ATOM 0 HA ILE A 87 91.768 11.289 -7.467 1.00 0.00 H new ATOM 0 HB ILE A 87 91.616 8.771 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.366 10.673 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.730 10.025 -9.968 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.515 7.915 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.119 8.592 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 87 90.651 9.527 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 87 87.813 8.821 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.196 7.722 -9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 87 88.826 8.381 -7.553 1.00 0.00 H new ATOM 1312 N PRO A 88 94.265 10.842 -7.473 1.00 0.00 N ATOM 1313 CA PRO A 88 95.720 10.522 -7.435 1.00 0.00 C ATOM 1314 C PRO A 88 95.978 9.036 -7.676 1.00 0.00 C ATOM 1315 O PRO A 88 95.363 8.179 -7.042 1.00 0.00 O ATOM 1316 CB PRO A 88 96.146 10.934 -6.026 1.00 0.00 C ATOM 1317 CG PRO A 88 95.188 12.005 -5.623 1.00 0.00 C ATOM 1318 CD PRO A 88 93.873 11.715 -6.351 1.00 0.00 C ATOM 0 HA PRO A 88 96.279 11.038 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.103 10.089 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.173 11.300 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.040 12.006 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 88 95.571 12.989 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.155 11.222 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.403 12.633 -6.706 1.00 0.00 H new ATOM 1326 N GLU A 89 96.886 8.742 -8.599 1.00 0.00 N ATOM 1327 CA GLU A 89 97.213 7.362 -8.925 1.00 0.00 C ATOM 1328 C GLU A 89 97.324 6.520 -7.660 1.00 0.00 C ATOM 1329 O GLU A 89 97.145 5.309 -7.699 1.00 0.00 O ATOM 1330 CB GLU A 89 98.536 7.308 -9.693 1.00 0.00 C ATOM 1331 CG GLU A 89 98.678 8.562 -10.559 1.00 0.00 C ATOM 1332 CD GLU A 89 99.474 8.240 -11.820 1.00 0.00 C ATOM 1333 OE1 GLU A 89 100.531 7.643 -11.693 1.00 0.00 O ATOM 1334 OE2 GLU A 89 99.015 8.594 -12.893 1.00 0.00 O ATOM 0 H GLU A 89 97.406 9.439 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 89 96.413 6.957 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.371 7.239 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 98.569 6.416 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 89 97.692 8.941 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.178 9.349 -9.994 1.00 0.00 H new ATOM 1341 N LYS A 90 97.617 7.165 -6.538 1.00 0.00 N ATOM 1342 CA LYS A 90 97.748 6.452 -5.277 1.00 0.00 C ATOM 1343 C LYS A 90 96.402 5.891 -4.841 1.00 0.00 C ATOM 1344 O LYS A 90 96.240 4.682 -4.730 1.00 0.00 O ATOM 1345 CB LYS A 90 98.282 7.389 -4.194 1.00 0.00 C ATOM 1346 CG LYS A 90 99.288 8.363 -4.810 1.00 0.00 C ATOM 1347 CD LYS A 90 100.198 8.918 -3.713 1.00 0.00 C ATOM 1348 CE LYS A 90 100.803 10.243 -4.177 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.268 10.107 -5.585 1.00 0.00 N ATOM 0 H LYS A 90 97.767 8.172 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 90 98.448 5.629 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.460 7.940 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.758 6.812 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.883 7.856 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 90 98.763 9.178 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.630 9.067 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.990 8.204 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 90 100.063 11.040 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.637 10.521 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 101.976 10.841 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.694 9.168 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 100.459 10.216 -6.230 1.00 0.00 H new ATOM 1363 N LEU A 91 95.437 6.775 -4.616 1.00 0.00 N ATOM 1364 CA LEU A 91 94.110 6.357 -4.208 1.00 0.00 C ATOM 1365 C LEU A 91 93.450 5.617 -5.350 1.00 0.00 C ATOM 1366 O LEU A 91 92.742 4.635 -5.144 1.00 0.00 O ATOM 1367 CB LEU A 91 93.272 7.574 -3.824 1.00 0.00 C ATOM 1368 CG LEU A 91 94.139 8.573 -3.058 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.248 9.649 -2.442 1.00 0.00 C ATOM 1370 CD2 LEU A 91 94.894 7.843 -1.945 1.00 0.00 C ATOM 0 H LEU A 91 95.553 7.784 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 91 94.187 5.699 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 91 92.863 8.043 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.426 7.266 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 91 94.852 9.035 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.864 10.363 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.706 10.169 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.537 9.185 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 91 95.513 8.554 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.180 7.383 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.528 7.071 -2.381 1.00 0.00 H new ATOM 1382 N LYS A 92 93.700 6.091 -6.562 1.00 0.00 N ATOM 1383 CA LYS A 92 93.143 5.462 -7.735 1.00 0.00 C ATOM 1384 C LYS A 92 93.729 4.068 -7.892 1.00 0.00 C ATOM 1385 O LYS A 92 92.995 3.088 -7.917 1.00 0.00 O ATOM 1386 CB LYS A 92 93.446 6.297 -8.981 1.00 0.00 C ATOM 1387 CG LYS A 92 92.328 6.106 -10.008 1.00 0.00 C ATOM 1388 CD LYS A 92 92.594 6.997 -11.222 1.00 0.00 C ATOM 1389 CE LYS A 92 93.079 6.136 -12.390 1.00 0.00 C ATOM 1390 NZ LYS A 92 93.688 7.010 -13.433 1.00 0.00 N ATOM 0 H LYS A 92 94.283 6.906 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 92 92.062 5.390 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.533 7.350 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.403 5.997 -9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 92 92.276 5.061 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 92 91.365 6.356 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 92 91.685 7.530 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 92 93.342 7.751 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 92 93.810 5.407 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 92 92.246 5.574 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 94.018 6.425 -14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.978 7.689 -13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 94.494 7.527 -13.026 1.00 0.00 H new ATOM 1404 N LYS A 93 95.057 3.977 -7.976 1.00 0.00 N ATOM 1405 CA LYS A 93 95.701 2.677 -8.113 1.00 0.00 C ATOM 1406 C LYS A 93 95.428 1.828 -6.892 1.00 0.00 C ATOM 1407 O LYS A 93 95.220 0.625 -6.998 1.00 0.00 O ATOM 1408 CB LYS A 93 97.214 2.821 -8.311 1.00 0.00 C ATOM 1409 CG LYS A 93 97.803 1.465 -8.706 1.00 0.00 C ATOM 1410 CD LYS A 93 98.283 1.516 -10.158 1.00 0.00 C ATOM 1411 CE LYS A 93 98.984 0.202 -10.507 1.00 0.00 C ATOM 1412 NZ LYS A 93 99.079 0.065 -11.988 1.00 0.00 N ATOM 0 H LYS A 93 95.694 4.773 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 93 95.284 2.192 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.423 3.560 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.680 3.180 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.633 1.212 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.053 0.683 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 93 97.438 1.679 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 93 98.966 2.354 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.980 0.181 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 93 98.431 -0.639 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.556 -0.829 -12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 98.124 0.067 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.624 0.861 -12.376 1.00 0.00 H new ATOM 1426 N ARG A 94 95.415 2.462 -5.735 1.00 0.00 N ATOM 1427 CA ARG A 94 95.144 1.733 -4.502 1.00 0.00 C ATOM 1428 C ARG A 94 93.698 1.270 -4.494 1.00 0.00 C ATOM 1429 O ARG A 94 93.430 0.080 -4.402 1.00 0.00 O ATOM 1430 CB ARG A 94 95.413 2.596 -3.266 1.00 0.00 C ATOM 1431 CG ARG A 94 96.918 2.844 -3.133 1.00 0.00 C ATOM 1432 CD ARG A 94 97.530 1.788 -2.211 1.00 0.00 C ATOM 1433 NE ARG A 94 98.958 1.652 -2.475 1.00 0.00 N ATOM 1434 CZ ARG A 94 99.836 2.517 -1.975 1.00 0.00 C ATOM 1435 NH1 ARG A 94 99.424 3.513 -1.239 1.00 0.00 N ATOM 1436 NH2 ARG A 94 101.109 2.370 -2.221 1.00 0.00 N ATOM 0 H ARG A 94 95.585 3.461 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 94 95.813 0.873 -4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.883 3.545 -3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 94 95.035 2.098 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 94 97.392 2.804 -4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 94 97.099 3.841 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 94 97.371 2.068 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 94 97.032 0.830 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 94 99.289 0.880 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 94 98.429 3.628 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 94 100.097 4.176 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 94 101.431 1.592 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 94 101.782 3.033 -1.838 1.00 0.00 H new ATOM 1450 N LEU A 95 92.767 2.214 -4.605 1.00 0.00 N ATOM 1451 CA LEU A 95 91.354 1.855 -4.619 1.00 0.00 C ATOM 1452 C LEU A 95 91.047 0.995 -5.825 1.00 0.00 C ATOM 1453 O LEU A 95 90.231 0.090 -5.748 1.00 0.00 O ATOM 1454 CB LEU A 95 90.468 3.100 -4.649 1.00 0.00 C ATOM 1455 CG LEU A 95 90.701 3.905 -3.375 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.269 5.356 -3.581 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.880 3.302 -2.234 1.00 0.00 C ATOM 0 H LEU A 95 92.960 3.212 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 95 91.143 1.298 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.699 3.706 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.419 2.814 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 95 91.763 3.875 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.440 5.920 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.849 5.797 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.209 5.388 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 95 90.046 3.877 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.822 3.330 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.186 2.269 -2.072 1.00 0.00 H new ATOM 1469 N GLN A 96 91.717 1.279 -6.931 1.00 0.00 N ATOM 1470 CA GLN A 96 91.508 0.499 -8.154 1.00 0.00 C ATOM 1471 C GLN A 96 92.120 -0.878 -7.989 1.00 0.00 C ATOM 1472 O GLN A 96 91.462 -1.894 -8.204 1.00 0.00 O ATOM 1473 CB GLN A 96 92.126 1.187 -9.374 1.00 0.00 C ATOM 1474 CG GLN A 96 91.844 0.347 -10.622 1.00 0.00 C ATOM 1475 CD GLN A 96 91.588 1.258 -11.817 1.00 0.00 C ATOM 1476 OE1 GLN A 96 90.456 1.357 -12.291 1.00 0.00 O ATOM 1477 NE2 GLN A 96 92.577 1.932 -12.335 1.00 0.00 N ATOM 0 H GLN A 96 92.401 2.031 -7.014 1.00 0.00 H new ATOM 0 HA GLN A 96 90.434 0.416 -8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.709 2.187 -9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.201 1.304 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.690 -0.308 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.979 -0.294 -10.451 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.514 1.848 -11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.414 2.543 -13.135 1.00 0.00 H new ATOM 1486 N LEU A 97 93.379 -0.903 -7.582 1.00 0.00 N ATOM 1487 CA LEU A 97 94.066 -2.165 -7.363 1.00 0.00 C ATOM 1488 C LEU A 97 93.382 -2.895 -6.224 1.00 0.00 C ATOM 1489 O LEU A 97 93.209 -4.108 -6.267 1.00 0.00 O ATOM 1490 CB LEU A 97 95.541 -1.935 -7.019 1.00 0.00 C ATOM 1491 CG LEU A 97 96.253 -3.284 -6.902 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.216 -4.002 -8.252 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.708 -3.054 -6.488 1.00 0.00 C ATOM 0 H LEU A 97 93.941 -0.072 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 97 94.023 -2.759 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.015 -1.327 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.626 -1.384 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 97 95.751 -3.896 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.724 -4.963 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.180 -4.164 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.718 -3.392 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.218 -4.013 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.208 -2.442 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.736 -2.542 -5.526 1.00 0.00 H new ATOM 1505 N GLU A 98 92.965 -2.136 -5.215 1.00 0.00 N ATOM 1506 CA GLU A 98 92.268 -2.720 -4.084 1.00 0.00 C ATOM 1507 C GLU A 98 90.856 -3.095 -4.506 1.00 0.00 C ATOM 1508 O GLU A 98 90.371 -4.165 -4.171 1.00 0.00 O ATOM 1509 CB GLU A 98 92.216 -1.749 -2.901 1.00 0.00 C ATOM 1510 CG GLU A 98 93.639 -1.458 -2.414 1.00 0.00 C ATOM 1511 CD GLU A 98 93.958 -2.306 -1.188 1.00 0.00 C ATOM 1512 OE1 GLU A 98 93.697 -1.844 -0.089 1.00 0.00 O ATOM 1513 OE2 GLU A 98 94.458 -3.404 -1.366 1.00 0.00 O ATOM 0 H GLU A 98 93.098 -1.126 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 98 92.811 -3.609 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.726 -0.822 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.624 -2.177 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 98 94.354 -1.671 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 98 93.739 -0.400 -2.170 1.00 0.00 H new ATOM 1520 N PHE A 99 90.208 -2.213 -5.268 1.00 0.00 N ATOM 1521 CA PHE A 99 88.853 -2.498 -5.740 1.00 0.00 C ATOM 1522 C PHE A 99 88.885 -3.707 -6.632 1.00 0.00 C ATOM 1523 O PHE A 99 88.028 -4.575 -6.547 1.00 0.00 O ATOM 1524 CB PHE A 99 88.286 -1.335 -6.545 1.00 0.00 C ATOM 1525 CG PHE A 99 87.040 -1.773 -7.280 1.00 0.00 C ATOM 1526 CD1 PHE A 99 85.981 -2.374 -6.588 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.947 -1.571 -8.663 1.00 0.00 C ATOM 1528 CE1 PHE A 99 84.832 -2.774 -7.281 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.798 -1.970 -9.353 1.00 0.00 C ATOM 1530 CZ PHE A 99 84.740 -2.572 -8.663 1.00 0.00 C ATOM 0 H PHE A 99 90.589 -1.315 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 99 88.224 -2.666 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.053 -0.502 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.031 -0.977 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.051 -2.529 -5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.763 -1.107 -9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 99 84.016 -3.239 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 99 85.727 -1.813 -10.419 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.853 -2.881 -9.196 1.00 0.00 H new ATOM 1540 N THR A 100 89.884 -3.765 -7.490 1.00 0.00 N ATOM 1541 CA THR A 100 89.994 -4.899 -8.383 1.00 0.00 C ATOM 1542 C THR A 100 90.557 -6.087 -7.622 1.00 0.00 C ATOM 1543 O THR A 100 90.061 -7.205 -7.741 1.00 0.00 O ATOM 1544 CB THR A 100 90.860 -4.546 -9.591 1.00 0.00 C ATOM 1545 OG1 THR A 100 90.339 -5.191 -10.745 1.00 0.00 O ATOM 1546 CG2 THR A 100 92.311 -4.985 -9.372 1.00 0.00 C ATOM 0 H THR A 100 90.614 -3.059 -7.587 1.00 0.00 H new ATOM 0 HA THR A 100 89.006 -5.165 -8.758 1.00 0.00 H new ATOM 0 HB THR A 100 90.845 -3.465 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 100 90.891 -4.966 -11.523 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.907 -4.722 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 100 92.715 -4.482 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 100 92.346 -6.064 -9.220 1.00 0.00 H new ATOM 1554 N GLN A 101 91.576 -5.841 -6.810 1.00 0.00 N ATOM 1555 CA GLN A 101 92.148 -6.926 -6.019 1.00 0.00 C ATOM 1556 C GLN A 101 91.115 -7.400 -5.006 1.00 0.00 C ATOM 1557 O GLN A 101 91.078 -8.572 -4.642 1.00 0.00 O ATOM 1558 CB GLN A 101 93.418 -6.481 -5.293 1.00 0.00 C ATOM 1559 CG GLN A 101 93.980 -7.655 -4.490 1.00 0.00 C ATOM 1560 CD GLN A 101 95.276 -7.244 -3.801 1.00 0.00 C ATOM 1561 OE1 GLN A 101 96.136 -6.501 -4.441 1.00 0.00 O flip ATOM 1562 NE2 GLN A 101 95.510 -7.608 -2.648 1.00 0.00 N flip ATOM 0 H GLN A 101 92.014 -4.929 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 101 92.418 -7.740 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 101 94.158 -6.131 -6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 101 93.197 -5.645 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.251 -7.980 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.163 -8.503 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.836 -8.189 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.378 -7.328 -2.191 1.00 0.00 H new ATOM 1571 N ALA A 102 90.260 -6.480 -4.568 1.00 0.00 N ATOM 1572 CA ALA A 102 89.210 -6.823 -3.618 1.00 0.00 C ATOM 1573 C ALA A 102 87.985 -7.331 -4.358 1.00 0.00 C ATOM 1574 O ALA A 102 87.465 -8.398 -4.060 1.00 0.00 O ATOM 1575 CB ALA A 102 88.823 -5.616 -2.760 1.00 0.00 C ATOM 0 H ALA A 102 90.274 -5.501 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 102 89.594 -7.604 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 102 88.037 -5.903 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 102 89.695 -5.270 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 102 88.461 -4.814 -3.403 1.00 0.00 H new ATOM 1581 N GLU A 103 87.521 -6.549 -5.319 1.00 0.00 N ATOM 1582 CA GLU A 103 86.341 -6.929 -6.084 1.00 0.00 C ATOM 1583 C GLU A 103 86.660 -7.992 -7.128 1.00 0.00 C ATOM 1584 O GLU A 103 85.982 -9.016 -7.204 1.00 0.00 O ATOM 1585 CB GLU A 103 85.754 -5.704 -6.787 1.00 0.00 C ATOM 1586 CG GLU A 103 84.295 -5.980 -7.155 1.00 0.00 C ATOM 1587 CD GLU A 103 83.402 -5.773 -5.936 1.00 0.00 C ATOM 1588 OE1 GLU A 103 83.696 -4.883 -5.156 1.00 0.00 O ATOM 1589 OE2 GLU A 103 82.438 -6.508 -5.802 1.00 0.00 O ATOM 0 H GLU A 103 87.936 -5.657 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 103 85.619 -7.343 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.818 -4.832 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.330 -5.475 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 103 83.983 -5.317 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.191 -7.001 -7.523 1.00 0.00 H new ATOM 1596 N ARG A 104 87.673 -7.740 -7.950 1.00 0.00 N ATOM 1597 CA ARG A 104 88.019 -8.702 -8.999 1.00 0.00 C ATOM 1598 C ARG A 104 88.442 -10.048 -8.414 1.00 0.00 C ATOM 1599 O ARG A 104 88.209 -11.091 -9.024 1.00 0.00 O ATOM 1600 CB ARG A 104 89.133 -8.161 -9.900 1.00 0.00 C ATOM 1601 CG ARG A 104 88.861 -8.577 -11.348 1.00 0.00 C ATOM 1602 CD ARG A 104 89.973 -8.041 -12.253 1.00 0.00 C ATOM 1603 NE ARG A 104 90.238 -8.984 -13.335 1.00 0.00 N ATOM 1604 CZ ARG A 104 89.447 -9.045 -14.402 1.00 0.00 C ATOM 1605 NH1 ARG A 104 88.415 -8.252 -14.495 1.00 0.00 N ATOM 1606 NH2 ARG A 104 89.702 -9.898 -15.356 1.00 0.00 N ATOM 0 H ARG A 104 88.256 -6.904 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 104 87.120 -8.853 -9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.182 -7.075 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.099 -8.547 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 104 88.810 -9.663 -11.422 1.00 0.00 H new ATOM 0 HG3 ARG A 104 87.895 -8.190 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 104 89.683 -7.075 -12.665 1.00 0.00 H new ATOM 0 HD3 ARG A 104 90.880 -7.879 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 104 91.043 -9.607 -13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 104 88.215 -7.585 -13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 104 87.808 -8.299 -15.313 1.00 0.00 H new ATOM 0 HH21 ARG A 104 90.508 -10.518 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 104 89.095 -9.944 -16.174 1.00 0.00 H new ATOM 1620 N SER A 105 89.069 -10.030 -7.242 1.00 0.00 N ATOM 1621 CA SER A 105 89.513 -11.278 -6.623 1.00 0.00 C ATOM 1622 C SER A 105 88.395 -11.930 -5.812 1.00 0.00 C ATOM 1623 O SER A 105 88.120 -13.118 -5.979 1.00 0.00 O ATOM 1624 CB SER A 105 90.718 -11.028 -5.718 1.00 0.00 C ATOM 1625 OG SER A 105 91.482 -12.222 -5.615 1.00 0.00 O ATOM 0 H SER A 105 89.279 -9.186 -6.710 1.00 0.00 H new ATOM 0 HA SER A 105 89.797 -11.956 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 105 91.332 -10.224 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.386 -10.709 -4.730 1.00 0.00 H new ATOM 0 HG SER A 105 92.257 -12.065 -5.036 1.00 0.00 H new ATOM 1631 N ILE A 106 87.756 -11.165 -4.928 1.00 0.00 N ATOM 1632 CA ILE A 106 86.680 -11.730 -4.109 1.00 0.00 C ATOM 1633 C ILE A 106 85.550 -12.255 -4.988 1.00 0.00 C ATOM 1634 O ILE A 106 84.831 -13.178 -4.604 1.00 0.00 O ATOM 1635 CB ILE A 106 86.127 -10.696 -3.123 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.458 -11.421 -1.951 1.00 0.00 C ATOM 1637 CG2 ILE A 106 85.094 -9.811 -3.820 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.019 -10.400 -0.899 1.00 0.00 C ATOM 0 H ILE A 106 87.955 -10.179 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 106 87.105 -12.557 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 106 86.946 -10.076 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 106 84.596 -11.987 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 106 86.151 -12.137 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 106 84.706 -9.079 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 106 85.563 -9.294 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 106 84.275 -10.429 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 106 84.543 -10.918 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 106 85.890 -9.853 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.311 -9.701 -1.344 1.00 0.00 H new ATOM 1650 N GLU A 107 85.401 -11.670 -6.172 1.00 0.00 N ATOM 1651 CA GLU A 107 84.357 -12.102 -7.095 1.00 0.00 C ATOM 1652 C GLU A 107 84.630 -13.522 -7.570 1.00 0.00 C ATOM 1653 O GLU A 107 84.034 -14.482 -7.081 1.00 0.00 O ATOM 1654 CB GLU A 107 84.301 -11.161 -8.300 1.00 0.00 C ATOM 1655 CG GLU A 107 83.358 -9.997 -7.995 1.00 0.00 C ATOM 1656 CD GLU A 107 81.909 -10.472 -8.042 1.00 0.00 C ATOM 1657 OE1 GLU A 107 81.508 -10.985 -9.075 1.00 0.00 O ATOM 1658 OE2 GLU A 107 81.222 -10.317 -7.046 1.00 0.00 O ATOM 0 H GLU A 107 85.982 -10.904 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 107 83.400 -12.078 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 107 85.298 -10.785 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 107 83.955 -11.702 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.582 -9.585 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.510 -9.196 -8.718 1.00 0.00 H new ATOM 1665 N ARG A 108 85.543 -13.643 -8.523 1.00 0.00 N ATOM 1666 CA ARG A 108 85.906 -14.947 -9.065 1.00 0.00 C ATOM 1667 C ARG A 108 87.202 -14.844 -9.865 1.00 0.00 C ATOM 1668 O ARG A 108 87.183 -14.660 -11.082 1.00 0.00 O ATOM 1669 CB ARG A 108 84.782 -15.482 -9.956 1.00 0.00 C ATOM 1670 CG ARG A 108 84.193 -16.746 -9.325 1.00 0.00 C ATOM 1671 CD ARG A 108 85.247 -17.854 -9.321 1.00 0.00 C ATOM 1672 NE ARG A 108 84.761 -19.014 -10.059 1.00 0.00 N ATOM 1673 CZ ARG A 108 85.520 -20.093 -10.221 1.00 0.00 C ATOM 1674 NH1 ARG A 108 86.722 -20.129 -9.715 1.00 0.00 N ATOM 1675 NH2 ARG A 108 85.062 -21.118 -10.887 1.00 0.00 N ATOM 0 H ARG A 108 86.045 -12.857 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 108 86.057 -15.638 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 108 84.006 -14.726 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.166 -15.704 -10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 108 83.865 -16.538 -8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 108 83.314 -17.068 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.171 -17.489 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.482 -18.139 -8.295 1.00 0.00 H new ATOM 0 HE ARG A 108 83.822 -18.997 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.080 -19.328 -9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.303 -20.958 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 108 84.122 -21.090 -11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 108 85.644 -21.946 -11.012 1.00 0.00 H new