USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 100:sc= -0.883 USER MOD Set 1.2: A 17 CYS SG : rot -140:sc= 0.196 USER MOD Set 1.3: A 19 THR OG1 : rot 96:sc= 0.361 USER MOD Set 1.4: A 60 CYS SG : rot 135:sc= -1.94 USER MOD Set 1.5: A 63 HIS : no HD1:sc= -3.48! X(o=-5.7!,f=-5.8) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.47) USER MOD Single : A 26 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.99) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00794 USER MOD Single : A 30 HIS : no HD1:sc= -5.69! K(o=-5.7!,f=-5.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.69! X(o=-2.7!,f=-2.3) USER MOD Single : A 57 THR OG1 : rot 170:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.0479 (180deg=-0.266) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0663 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.857) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00418 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.507 1.282 31.252 1.00 0.00 N ATOM 112 CA ASN A 11 -5.674 1.177 32.697 1.00 0.00 C ATOM 113 C ASN A 11 -4.571 0.322 33.313 1.00 0.00 C ATOM 114 O ASN A 11 -3.816 -0.343 32.602 1.00 0.00 O ATOM 115 CB ASN A 11 -7.043 0.581 33.031 1.00 0.00 C ATOM 116 CG ASN A 11 -7.126 -0.897 32.701 1.00 0.00 C ATOM 117 OD1 ASN A 11 -6.891 -1.304 31.563 1.00 0.00 O ATOM 118 ND2 ASN A 11 -7.463 -1.708 33.697 1.00 0.00 N ATOM 0 HA ASN A 11 -5.609 2.180 33.118 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.251 0.726 34.091 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.814 1.118 32.479 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.536 -2.712 33.534 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.649 -1.327 34.625 1.00 0.00 H new ATOM 125 N CYS A 12 -4.483 0.344 34.638 1.00 0.00 N ATOM 126 CA CYS A 12 -3.473 -0.429 35.351 1.00 0.00 C ATOM 127 C CYS A 12 -3.881 -1.896 35.451 1.00 0.00 C ATOM 128 O CYS A 12 -5.065 -2.216 35.549 1.00 0.00 O ATOM 129 CB CYS A 12 -3.253 0.148 36.751 1.00 0.00 C ATOM 130 SG CYS A 12 -2.039 -0.771 37.751 1.00 0.00 S ATOM 0 H CYS A 12 -5.099 0.889 35.241 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.541 -0.367 34.790 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.923 1.183 36.658 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.206 0.164 37.280 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.895 -0.154 37.720 1.00 0.00 H new ATOM 135 N ALA A 13 -2.891 -2.783 35.426 1.00 0.00 N ATOM 136 CA ALA A 13 -3.146 -4.215 35.517 1.00 0.00 C ATOM 137 C ALA A 13 -3.026 -4.704 36.956 1.00 0.00 C ATOM 138 O ALA A 13 -3.652 -5.691 37.340 1.00 0.00 O ATOM 139 CB ALA A 13 -2.188 -4.980 34.615 1.00 0.00 C ATOM 0 H ALA A 13 -1.905 -2.535 35.343 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.167 -4.399 35.183 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.390 -6.048 34.693 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.326 -4.659 33.582 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.161 -4.781 34.923 1.00 0.00 H new ATOM 145 N ALA A 14 -2.217 -4.008 37.747 1.00 0.00 N ATOM 146 CA ALA A 14 -2.015 -4.371 39.144 1.00 0.00 C ATOM 147 C ALA A 14 -3.349 -4.536 39.866 1.00 0.00 C ATOM 148 O ALA A 14 -4.361 -3.967 39.458 1.00 0.00 O ATOM 149 CB ALA A 14 -1.160 -3.325 39.844 1.00 0.00 C ATOM 0 H ALA A 14 -1.690 -3.189 37.444 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.494 -5.328 39.173 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.018 -3.610 40.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.190 -3.258 39.351 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.659 -2.357 39.797 1.00 0.00 H new ATOM 155 N ALA A 15 -3.342 -5.318 40.940 1.00 0.00 N ATOM 156 CA ALA A 15 -4.551 -5.556 41.719 1.00 0.00 C ATOM 157 C ALA A 15 -4.586 -4.673 42.961 1.00 0.00 C ATOM 158 O ALA A 15 -3.561 -4.444 43.602 1.00 0.00 O ATOM 159 CB ALA A 15 -4.646 -7.024 42.110 1.00 0.00 C ATOM 0 H ALA A 15 -2.513 -5.798 41.291 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.410 -5.300 41.099 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.553 -7.188 42.691 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.675 -7.639 41.211 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.777 -7.298 42.709 1.00 0.00 H new ATOM 165 N GLY A 16 -5.774 -4.177 43.296 1.00 0.00 N ATOM 166 CA GLY A 16 -5.920 -3.323 44.460 1.00 0.00 C ATOM 167 C GLY A 16 -5.360 -1.933 44.234 1.00 0.00 C ATOM 168 O GLY A 16 -5.039 -1.222 45.186 1.00 0.00 O ATOM 0 H GLY A 16 -6.637 -4.352 42.782 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.976 -3.248 44.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.413 -3.782 45.309 1.00 0.00 H new ATOM 172 N CYS A 17 -5.239 -1.544 42.969 1.00 0.00 N ATOM 173 CA CYS A 17 -4.711 -0.231 42.619 1.00 0.00 C ATOM 174 C CYS A 17 -5.781 0.623 41.945 1.00 0.00 C ATOM 175 O CYS A 17 -6.399 1.476 42.580 1.00 0.00 O ATOM 176 CB CYS A 17 -3.501 -0.375 41.694 1.00 0.00 C ATOM 177 SG CYS A 17 -2.905 1.200 40.999 1.00 0.00 S ATOM 0 H CYS A 17 -5.500 -2.120 42.169 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.400 0.265 43.538 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.689 -0.846 42.247 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.761 -1.046 40.875 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.569 1.026 39.755 1.00 0.00 H new ATOM 182 N ALA A 18 -5.993 0.387 40.654 1.00 0.00 N ATOM 183 CA ALA A 18 -6.989 1.132 39.895 1.00 0.00 C ATOM 184 C ALA A 18 -6.524 2.561 39.634 1.00 0.00 C ATOM 185 O ALA A 18 -7.193 3.523 40.014 1.00 0.00 O ATOM 186 CB ALA A 18 -8.321 1.135 40.631 1.00 0.00 C ATOM 0 H ALA A 18 -5.488 -0.314 40.112 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.120 0.638 38.932 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.055 1.695 40.052 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.667 0.110 40.761 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.196 1.602 41.608 1.00 0.00 H new ATOM 192 N THR A 19 -5.372 2.694 38.983 1.00 0.00 N ATOM 193 CA THR A 19 -4.817 4.005 38.673 1.00 0.00 C ATOM 194 C THR A 19 -5.004 4.347 37.200 1.00 0.00 C ATOM 195 O THR A 19 -4.561 3.611 36.318 1.00 0.00 O ATOM 196 CB THR A 19 -3.317 4.076 39.018 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.146 4.481 40.380 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.596 5.050 38.099 1.00 0.00 C ATOM 0 H THR A 19 -4.806 1.909 38.661 1.00 0.00 H new ATOM 0 HA THR A 19 -5.358 4.729 39.283 1.00 0.00 H new ATOM 0 HB THR A 19 -2.887 3.084 38.878 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.032 3.689 40.945 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.539 5.083 38.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.703 4.722 37.065 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.029 6.044 38.211 1.00 0.00 H new ATOM 206 N THR A 20 -5.665 5.471 36.937 1.00 0.00 N ATOM 207 CA THR A 20 -5.912 5.911 35.570 1.00 0.00 C ATOM 208 C THR A 20 -5.935 7.432 35.478 1.00 0.00 C ATOM 209 O THR A 20 -5.070 8.039 34.846 1.00 0.00 O ATOM 210 CB THR A 20 -7.244 5.355 35.033 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.195 5.247 36.098 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.041 3.992 34.388 1.00 0.00 C ATOM 0 H THR A 20 -6.039 6.093 37.654 1.00 0.00 H new ATOM 0 HA THR A 20 -5.094 5.525 34.961 1.00 0.00 H new ATOM 0 HB THR A 20 -7.622 6.044 34.278 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.040 4.894 35.748 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.996 3.620 34.016 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.339 4.083 33.559 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.643 3.296 35.126 1.00 0.00 H new ATOM 220 N TYR A 21 -6.931 8.043 36.111 1.00 0.00 N ATOM 221 CA TYR A 21 -7.067 9.495 36.098 1.00 0.00 C ATOM 222 C TYR A 21 -7.002 10.060 37.514 1.00 0.00 C ATOM 223 O TYR A 21 -7.738 9.630 38.400 1.00 0.00 O ATOM 224 CB TYR A 21 -8.386 9.898 35.436 1.00 0.00 C ATOM 225 CG TYR A 21 -8.357 11.280 34.822 1.00 0.00 C ATOM 226 CD1 TYR A 21 -8.266 12.414 35.619 1.00 0.00 C ATOM 227 CD2 TYR A 21 -8.421 11.450 33.444 1.00 0.00 C ATOM 228 CE1 TYR A 21 -8.241 13.678 35.062 1.00 0.00 C ATOM 229 CE2 TYR A 21 -8.394 12.710 32.879 1.00 0.00 C ATOM 230 CZ TYR A 21 -8.305 13.821 33.692 1.00 0.00 C ATOM 231 OH TYR A 21 -8.278 15.078 33.133 1.00 0.00 O ATOM 0 H TYR A 21 -7.655 7.556 36.639 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.238 9.908 35.523 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.632 9.171 34.662 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.183 9.856 36.178 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.214 12.306 36.692 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.493 10.583 32.805 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.172 14.549 35.696 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.442 12.825 31.806 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.330 15.003 32.157 1.00 0.00 H new ATOM 241 N ASN A 22 -6.115 11.029 37.716 1.00 0.00 N ATOM 242 CA ASN A 22 -5.952 11.655 39.023 1.00 0.00 C ATOM 243 C ASN A 22 -5.518 13.111 38.879 1.00 0.00 C ATOM 244 O ASN A 22 -5.102 13.543 37.804 1.00 0.00 O ATOM 245 CB ASN A 22 -4.926 10.885 39.857 1.00 0.00 C ATOM 246 CG ASN A 22 -4.411 9.650 39.143 1.00 0.00 C ATOM 247 OD1 ASN A 22 -3.636 9.748 38.191 1.00 0.00 O ATOM 248 ND2 ASN A 22 -4.841 8.480 39.601 1.00 0.00 N ATOM 0 H ASN A 22 -5.498 11.398 36.992 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.915 11.630 39.532 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.088 11.541 40.093 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.378 10.592 40.804 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.529 7.614 39.161 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.483 8.447 40.393 1.00 0.00 H new ATOM 313 N ASN A 26 1.702 12.329 38.206 1.00 0.00 N ATOM 314 CA ASN A 26 2.567 12.306 37.031 1.00 0.00 C ATOM 315 C ASN A 26 3.162 10.917 36.821 1.00 0.00 C ATOM 316 O ASN A 26 4.050 10.732 35.988 1.00 0.00 O ATOM 317 CB ASN A 26 3.687 13.337 37.178 1.00 0.00 C ATOM 318 CG ASN A 26 3.993 13.657 38.629 1.00 0.00 C ATOM 319 OD1 ASN A 26 5.097 13.407 39.112 1.00 0.00 O ATOM 320 ND2 ASN A 26 3.012 14.213 39.331 1.00 0.00 N ATOM 0 HA ASN A 26 1.963 12.558 36.159 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.588 12.961 36.694 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.404 14.253 36.659 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.158 14.451 40.312 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.112 14.402 38.889 1.00 0.00 H new ATOM 327 N ILE A 27 2.667 9.946 37.581 1.00 0.00 N ATOM 328 CA ILE A 27 3.149 8.575 37.476 1.00 0.00 C ATOM 329 C ILE A 27 3.517 8.229 36.037 1.00 0.00 C ATOM 330 O ILE A 27 2.913 8.736 35.092 1.00 0.00 O ATOM 331 CB ILE A 27 2.098 7.568 37.980 1.00 0.00 C ATOM 332 CG1 ILE A 27 2.283 7.311 39.477 1.00 0.00 C ATOM 333 CG2 ILE A 27 2.191 6.267 37.197 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.215 6.422 40.074 1.00 0.00 C ATOM 0 H ILE A 27 1.933 10.083 38.276 1.00 0.00 H new ATOM 0 HA ILE A 27 4.038 8.506 38.103 1.00 0.00 H new ATOM 0 HB ILE A 27 1.106 7.992 37.823 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.259 6.853 39.641 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.286 8.265 40.004 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.442 5.566 37.565 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.014 6.465 36.140 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.184 5.836 37.324 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.410 6.283 41.137 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.238 6.888 39.942 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.226 5.454 39.574 1.00 0.00 H new ATOM 346 N SER A 28 4.512 7.362 35.878 1.00 0.00 N ATOM 347 CA SER A 28 4.963 6.950 34.554 1.00 0.00 C ATOM 348 C SER A 28 4.308 5.636 34.142 1.00 0.00 C ATOM 349 O SER A 28 3.908 4.836 34.989 1.00 0.00 O ATOM 350 CB SER A 28 6.486 6.803 34.534 1.00 0.00 C ATOM 351 OG SER A 28 7.058 7.251 35.750 1.00 0.00 O ATOM 0 H SER A 28 5.021 6.931 36.650 1.00 0.00 H new ATOM 0 HA SER A 28 4.670 7.721 33.841 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.751 5.759 34.367 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.899 7.374 33.702 1.00 0.00 H new ATOM 0 HG SER A 28 8.032 7.145 35.712 1.00 0.00 H new ATOM 357 N PHE A 29 4.201 5.419 32.835 1.00 0.00 N ATOM 358 CA PHE A 29 3.594 4.202 32.309 1.00 0.00 C ATOM 359 C PHE A 29 4.662 3.177 31.941 1.00 0.00 C ATOM 360 O PHE A 29 5.355 3.320 30.933 1.00 0.00 O ATOM 361 CB PHE A 29 2.736 4.524 31.084 1.00 0.00 C ATOM 362 CG PHE A 29 2.023 5.843 31.181 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.700 7.030 30.953 1.00 0.00 C ATOM 364 CD2 PHE A 29 0.676 5.895 31.501 1.00 0.00 C ATOM 365 CE1 PHE A 29 2.048 8.245 31.041 1.00 0.00 C ATOM 366 CE2 PHE A 29 0.018 7.107 31.590 1.00 0.00 C ATOM 367 CZ PHE A 29 0.705 8.284 31.361 1.00 0.00 C ATOM 0 H PHE A 29 4.527 6.070 32.121 1.00 0.00 H new ATOM 0 HA PHE A 29 2.960 3.776 33.087 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.370 4.527 30.197 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.000 3.732 30.947 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.750 7.005 30.703 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.134 4.978 31.683 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.588 9.163 30.860 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.033 7.134 31.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.193 9.232 31.432 1.00 0.00 H new ATOM 377 N HIS A 30 4.789 2.142 32.765 1.00 0.00 N ATOM 378 CA HIS A 30 5.773 1.091 32.527 1.00 0.00 C ATOM 379 C HIS A 30 5.095 -0.189 32.048 1.00 0.00 C ATOM 380 O HIS A 30 4.519 -0.932 32.843 1.00 0.00 O ATOM 381 CB HIS A 30 6.572 0.813 33.800 1.00 0.00 C ATOM 382 CG HIS A 30 7.213 2.035 34.384 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.136 2.799 33.702 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.056 2.625 35.592 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.521 3.806 34.466 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.881 3.723 35.618 1.00 0.00 N ATOM 0 H HIS A 30 4.223 2.008 33.603 1.00 0.00 H new ATOM 0 HA HIS A 30 6.454 1.434 31.748 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.911 0.369 34.544 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.345 0.077 33.580 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.404 2.294 36.387 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.237 4.567 34.194 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.983 4.369 36.400 1.00 0.00 H new ATOM 394 N ARG A 31 5.168 -0.440 30.745 1.00 0.00 N ATOM 395 CA ARG A 31 4.559 -1.629 30.161 1.00 0.00 C ATOM 396 C ARG A 31 5.288 -2.891 30.613 1.00 0.00 C ATOM 397 O ARG A 31 6.332 -2.819 31.262 1.00 0.00 O ATOM 398 CB ARG A 31 4.575 -1.538 28.634 1.00 0.00 C ATOM 399 CG ARG A 31 5.878 -2.009 28.009 1.00 0.00 C ATOM 400 CD ARG A 31 6.422 -0.989 27.020 1.00 0.00 C ATOM 401 NE ARG A 31 5.480 -0.720 25.937 1.00 0.00 N ATOM 402 CZ ARG A 31 5.176 -1.602 24.992 1.00 0.00 C ATOM 403 NH1 ARG A 31 5.736 -2.803 24.996 1.00 0.00 N ATOM 404 NH2 ARG A 31 4.309 -1.282 24.039 1.00 0.00 N ATOM 0 H ARG A 31 5.643 0.164 30.074 1.00 0.00 H new ATOM 0 HA ARG A 31 3.526 -1.684 30.505 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.754 -2.134 28.234 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.393 -0.505 28.338 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.615 -2.187 28.792 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.716 -2.960 27.501 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.647 -0.060 27.544 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.360 -1.354 26.602 1.00 0.00 H new ATOM 0 HE ARG A 31 5.031 0.195 25.905 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.403 -3.052 25.726 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.500 -3.478 24.269 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.876 -0.358 24.032 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.076 -1.960 23.313 1.00 0.00 H new ATOM 418 N PHE A 32 4.731 -4.047 30.267 1.00 0.00 N ATOM 419 CA PHE A 32 5.327 -5.325 30.639 1.00 0.00 C ATOM 420 C PHE A 32 6.518 -5.650 29.742 1.00 0.00 C ATOM 421 O PHE A 32 6.631 -5.166 28.616 1.00 0.00 O ATOM 422 CB PHE A 32 4.286 -6.442 30.548 1.00 0.00 C ATOM 423 CG PHE A 32 3.285 -6.421 31.668 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.558 -5.274 31.943 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.071 -7.547 32.445 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.636 -5.250 32.972 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.149 -7.530 33.475 1.00 0.00 C ATOM 428 CZ PHE A 32 1.432 -6.380 33.740 1.00 0.00 C ATOM 0 H PHE A 32 3.868 -4.125 29.729 1.00 0.00 H new ATOM 0 HA PHE A 32 5.679 -5.249 31.668 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.758 -6.359 29.598 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.797 -7.405 30.546 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.714 -4.388 31.346 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.631 -8.449 32.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.076 -4.349 33.175 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.990 -8.416 34.072 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.713 -6.364 34.546 1.00 0.00 H new ATOM 438 N PRO A 33 7.430 -6.491 30.253 1.00 0.00 N ATOM 439 CA PRO A 33 8.630 -6.900 29.517 1.00 0.00 C ATOM 440 C PRO A 33 8.303 -7.814 28.340 1.00 0.00 C ATOM 441 O PRO A 33 7.627 -8.831 28.499 1.00 0.00 O ATOM 442 CB PRO A 33 9.451 -7.653 30.567 1.00 0.00 C ATOM 443 CG PRO A 33 8.447 -8.145 31.551 1.00 0.00 C ATOM 444 CD PRO A 33 7.360 -7.106 31.589 1.00 0.00 C ATOM 0 HA PRO A 33 9.151 -6.048 29.080 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.004 -8.479 30.119 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.183 -6.999 31.041 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.050 -9.115 31.251 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.897 -8.275 32.535 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.383 -7.553 31.775 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.531 -6.374 32.378 1.00 0.00 H new ATOM 452 N LEU A 34 8.789 -7.446 27.159 1.00 0.00 N ATOM 453 CA LEU A 34 8.549 -8.233 25.955 1.00 0.00 C ATOM 454 C LEU A 34 9.285 -9.568 26.021 1.00 0.00 C ATOM 455 O LEU A 34 9.129 -10.419 25.145 1.00 0.00 O ATOM 456 CB LEU A 34 8.994 -7.454 24.716 1.00 0.00 C ATOM 457 CG LEU A 34 8.256 -6.142 24.448 1.00 0.00 C ATOM 458 CD1 LEU A 34 6.894 -6.147 25.125 1.00 0.00 C ATOM 459 CD2 LEU A 34 9.085 -4.957 24.922 1.00 0.00 C ATOM 0 H LEU A 34 9.351 -6.608 27.010 1.00 0.00 H new ATOM 0 HA LEU A 34 7.479 -8.431 25.888 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.058 -7.237 24.811 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.877 -8.098 23.845 1.00 0.00 H new ATOM 0 HG LEU A 34 8.104 -6.047 23.373 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.384 -5.205 24.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.298 -6.973 24.737 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.023 -6.266 26.201 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.544 -4.032 24.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.269 -5.047 25.993 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.036 -4.943 24.390 1.00 0.00 H new ATOM 471 N ASP A 35 10.085 -9.745 27.067 1.00 0.00 N ATOM 472 CA ASP A 35 10.843 -10.977 27.250 1.00 0.00 C ATOM 473 C ASP A 35 10.022 -12.011 28.015 1.00 0.00 C ATOM 474 O ASP A 35 9.253 -11.683 28.918 1.00 0.00 O ATOM 475 CB ASP A 35 12.149 -10.693 27.993 1.00 0.00 C ATOM 476 CG ASP A 35 13.333 -11.415 27.381 1.00 0.00 C ATOM 477 OD1 ASP A 35 13.352 -11.580 26.143 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.240 -11.815 28.140 1.00 0.00 O ATOM 0 H ASP A 35 10.225 -9.051 27.801 1.00 0.00 H new ATOM 0 HA ASP A 35 11.076 -11.381 26.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.340 -9.620 27.989 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.043 -10.994 29.035 1.00 0.00 H new ATOM 483 N PRO A 36 10.188 -13.290 27.646 1.00 0.00 N ATOM 484 CA PRO A 36 9.471 -14.397 28.284 1.00 0.00 C ATOM 485 C PRO A 36 9.943 -14.646 29.713 1.00 0.00 C ATOM 486 O PRO A 36 9.203 -15.185 30.537 1.00 0.00 O ATOM 487 CB PRO A 36 9.806 -15.597 27.394 1.00 0.00 C ATOM 488 CG PRO A 36 11.107 -15.245 26.758 1.00 0.00 C ATOM 489 CD PRO A 36 11.089 -13.753 26.577 1.00 0.00 C ATOM 0 HA PRO A 36 8.403 -14.196 28.368 1.00 0.00 H new ATOM 0 HB2 PRO A 36 9.886 -16.513 27.979 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.031 -15.763 26.645 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.944 -15.552 27.385 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.223 -15.753 25.801 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.086 -13.324 26.678 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.720 -13.472 25.591 1.00 0.00 H new ATOM 497 N LYS A 37 11.178 -14.251 30.001 1.00 0.00 N ATOM 498 CA LYS A 37 11.749 -14.429 31.331 1.00 0.00 C ATOM 499 C LYS A 37 11.019 -13.566 32.356 1.00 0.00 C ATOM 500 O LYS A 37 10.548 -14.065 33.378 1.00 0.00 O ATOM 501 CB LYS A 37 13.238 -14.078 31.320 1.00 0.00 C ATOM 502 CG LYS A 37 14.091 -15.067 30.545 1.00 0.00 C ATOM 503 CD LYS A 37 14.737 -14.417 29.333 1.00 0.00 C ATOM 504 CE LYS A 37 15.932 -15.219 28.841 1.00 0.00 C ATOM 505 NZ LYS A 37 16.866 -14.386 28.035 1.00 0.00 N ATOM 0 H LYS A 37 11.804 -13.805 29.330 1.00 0.00 H new ATOM 0 HA LYS A 37 11.631 -15.475 31.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.365 -13.085 30.888 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.598 -14.028 32.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.865 -15.471 31.198 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.475 -15.907 30.223 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.003 -14.328 28.532 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.056 -13.406 29.588 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.464 -15.638 29.695 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.583 -16.058 28.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.667 -14.969 27.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.365 -14.006 27.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.219 -13.599 28.616 1.00 0.00 H new ATOM 519 N ARG A 38 10.929 -12.270 32.075 1.00 0.00 N ATOM 520 CA ARG A 38 10.257 -11.339 32.972 1.00 0.00 C ATOM 521 C ARG A 38 8.748 -11.361 32.748 1.00 0.00 C ATOM 522 O ARG A 38 7.968 -11.313 33.700 1.00 0.00 O ATOM 523 CB ARG A 38 10.794 -9.921 32.766 1.00 0.00 C ATOM 524 CG ARG A 38 12.301 -9.811 32.923 1.00 0.00 C ATOM 525 CD ARG A 38 12.717 -8.414 33.354 1.00 0.00 C ATOM 526 NE ARG A 38 14.140 -8.172 33.132 1.00 0.00 N ATOM 527 CZ ARG A 38 14.695 -8.113 31.927 1.00 0.00 C ATOM 528 NH1 ARG A 38 13.952 -8.276 30.842 1.00 0.00 N ATOM 529 NH2 ARG A 38 15.998 -7.889 31.806 1.00 0.00 N ATOM 0 H ARG A 38 11.313 -11.841 31.233 1.00 0.00 H new ATOM 0 HA ARG A 38 10.459 -11.651 33.997 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.515 -9.577 31.770 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.313 -9.252 33.480 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.645 -10.537 33.659 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.785 -10.061 31.979 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.134 -7.676 32.803 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.487 -8.277 34.411 1.00 0.00 H new ATOM 0 HE ARG A 38 14.740 -8.041 33.946 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.950 -8.447 30.931 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.382 -8.230 29.918 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.573 -7.762 32.639 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.424 -7.844 30.880 1.00 0.00 H new ATOM 543 N ARG A 39 8.344 -11.433 31.484 1.00 0.00 N ATOM 544 CA ARG A 39 6.929 -11.459 31.135 1.00 0.00 C ATOM 545 C ARG A 39 6.131 -12.260 32.160 1.00 0.00 C ATOM 546 O ARG A 39 5.105 -11.799 32.663 1.00 0.00 O ATOM 547 CB ARG A 39 6.737 -12.060 29.741 1.00 0.00 C ATOM 548 CG ARG A 39 5.293 -12.415 29.424 1.00 0.00 C ATOM 549 CD ARG A 39 5.199 -13.368 28.244 1.00 0.00 C ATOM 550 NE ARG A 39 5.397 -14.758 28.646 1.00 0.00 N ATOM 551 CZ ARG A 39 4.496 -15.463 29.320 1.00 0.00 C ATOM 552 NH1 ARG A 39 3.341 -14.912 29.666 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.750 -16.724 29.650 1.00 0.00 N ATOM 0 H ARG A 39 8.977 -11.474 30.685 1.00 0.00 H new ATOM 0 HA ARG A 39 6.561 -10.433 31.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.100 -11.352 28.996 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.350 -12.957 29.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.829 -12.871 30.299 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.734 -11.506 29.204 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.223 -13.263 27.770 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.946 -13.096 27.498 1.00 0.00 H new ATOM 0 HE ARG A 39 6.275 -15.212 28.395 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.142 -13.944 29.414 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.651 -15.456 30.184 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.638 -17.151 29.386 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.058 -17.265 30.168 1.00 0.00 H new ATOM 567 N LYS A 40 6.607 -13.462 32.465 1.00 0.00 N ATOM 568 CA LYS A 40 5.940 -14.328 33.431 1.00 0.00 C ATOM 569 C LYS A 40 6.049 -13.756 34.841 1.00 0.00 C ATOM 570 O LYS A 40 5.120 -13.871 35.640 1.00 0.00 O ATOM 571 CB LYS A 40 6.545 -15.732 33.391 1.00 0.00 C ATOM 572 CG LYS A 40 6.597 -16.333 31.996 1.00 0.00 C ATOM 573 CD LYS A 40 7.845 -17.177 31.799 1.00 0.00 C ATOM 574 CE LYS A 40 7.684 -18.562 32.408 1.00 0.00 C ATOM 575 NZ LYS A 40 8.347 -19.610 31.585 1.00 0.00 N ATOM 0 H LYS A 40 7.453 -13.859 32.057 1.00 0.00 H new ATOM 0 HA LYS A 40 4.885 -14.386 33.162 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.555 -15.695 33.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.963 -16.388 34.039 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.712 -16.947 31.830 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.575 -15.535 31.254 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.059 -17.269 30.734 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.700 -16.676 32.253 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.106 -18.568 33.413 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.624 -18.794 32.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.215 -20.539 32.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.927 -19.622 30.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.363 -19.403 31.512 1.00 0.00 H new ATOM 589 N GLU A 41 7.188 -13.138 35.138 1.00 0.00 N ATOM 590 CA GLU A 41 7.416 -12.548 36.452 1.00 0.00 C ATOM 591 C GLU A 41 6.417 -11.429 36.726 1.00 0.00 C ATOM 592 O GLU A 41 5.618 -11.510 37.660 1.00 0.00 O ATOM 593 CB GLU A 41 8.844 -12.008 36.551 1.00 0.00 C ATOM 594 CG GLU A 41 9.744 -12.830 37.459 1.00 0.00 C ATOM 595 CD GLU A 41 9.096 -13.145 38.793 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.100 -12.477 39.140 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.584 -14.059 39.489 1.00 0.00 O ATOM 0 H GLU A 41 7.966 -13.033 34.487 1.00 0.00 H new ATOM 0 HA GLU A 41 7.277 -13.327 37.202 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.281 -11.975 35.553 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.811 -10.982 36.918 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.006 -13.762 36.958 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.674 -12.288 37.630 1.00 0.00 H new ATOM 604 N TRP A 42 6.468 -10.385 35.907 1.00 0.00 N ATOM 605 CA TRP A 42 5.567 -9.248 36.062 1.00 0.00 C ATOM 606 C TRP A 42 4.131 -9.715 36.270 1.00 0.00 C ATOM 607 O TRP A 42 3.356 -9.074 36.981 1.00 0.00 O ATOM 608 CB TRP A 42 5.647 -8.337 34.835 1.00 0.00 C ATOM 609 CG TRP A 42 6.899 -7.514 34.787 1.00 0.00 C ATOM 610 CD1 TRP A 42 8.184 -7.974 34.840 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.984 -6.089 34.678 1.00 0.00 C ATOM 612 NE1 TRP A 42 9.063 -6.920 34.770 1.00 0.00 N ATOM 613 CE2 TRP A 42 8.352 -5.753 34.670 1.00 0.00 C ATOM 614 CE3 TRP A 42 6.039 -5.065 34.585 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.795 -4.436 34.574 1.00 0.00 C ATOM 616 CZ3 TRP A 42 6.479 -3.758 34.490 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.847 -3.453 34.484 1.00 0.00 C ATOM 0 H TRP A 42 7.123 -10.302 35.129 1.00 0.00 H new ATOM 0 HA TRP A 42 5.878 -8.688 36.944 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.587 -8.947 33.934 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.783 -7.672 34.828 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.467 -9.013 34.924 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.080 -6.994 34.789 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.983 -5.290 34.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.849 -4.199 34.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.756 -2.958 34.419 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.159 -2.422 34.407 1.00 0.00 H new ATOM 628 N VAL A 43 3.781 -10.836 35.646 1.00 0.00 N ATOM 629 CA VAL A 43 2.438 -11.389 35.765 1.00 0.00 C ATOM 630 C VAL A 43 2.321 -12.291 36.988 1.00 0.00 C ATOM 631 O VAL A 43 1.257 -12.392 37.599 1.00 0.00 O ATOM 632 CB VAL A 43 2.049 -12.192 34.510 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.580 -12.586 34.562 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.350 -11.393 33.251 1.00 0.00 C ATOM 0 H VAL A 43 4.409 -11.378 35.053 1.00 0.00 H new ATOM 0 HA VAL A 43 1.757 -10.545 35.873 1.00 0.00 H new ATOM 0 HB VAL A 43 2.645 -13.104 34.485 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.323 -13.153 33.667 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.399 -13.200 35.444 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.036 -11.688 34.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.069 -11.976 32.374 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.782 -10.463 33.266 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.415 -11.167 33.210 1.00 0.00 H new ATOM 644 N ARG A 44 3.423 -12.946 37.341 1.00 0.00 N ATOM 645 CA ARG A 44 3.445 -13.841 38.492 1.00 0.00 C ATOM 646 C ARG A 44 3.491 -13.049 39.796 1.00 0.00 C ATOM 647 O ARG A 44 3.137 -13.561 40.859 1.00 0.00 O ATOM 648 CB ARG A 44 4.649 -14.781 38.411 1.00 0.00 C ATOM 649 CG ARG A 44 5.280 -15.079 39.761 1.00 0.00 C ATOM 650 CD ARG A 44 4.335 -15.863 40.658 1.00 0.00 C ATOM 651 NE ARG A 44 4.665 -17.285 40.690 1.00 0.00 N ATOM 652 CZ ARG A 44 5.778 -17.769 41.228 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.665 -16.949 41.777 1.00 0.00 N ATOM 654 NH2 ARG A 44 6.007 -19.076 41.219 1.00 0.00 N ATOM 0 H ARG A 44 4.312 -12.873 36.846 1.00 0.00 H new ATOM 0 HA ARG A 44 2.529 -14.432 38.478 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.337 -15.718 37.950 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.401 -14.339 37.757 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.200 -15.646 39.617 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.555 -14.144 40.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.376 -15.458 41.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.312 -15.736 40.305 1.00 0.00 H new ATOM 0 HE ARG A 44 4.004 -17.943 40.276 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.493 -15.944 41.787 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.519 -17.324 42.190 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.328 -19.710 40.798 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.862 -19.447 41.633 1.00 0.00 H new ATOM 668 N LEU A 45 3.929 -11.798 39.707 1.00 0.00 N ATOM 669 CA LEU A 45 4.023 -10.935 40.879 1.00 0.00 C ATOM 670 C LEU A 45 2.675 -10.292 41.190 1.00 0.00 C ATOM 671 O LEU A 45 2.212 -10.314 42.331 1.00 0.00 O ATOM 672 CB LEU A 45 5.079 -9.851 40.657 1.00 0.00 C ATOM 673 CG LEU A 45 6.532 -10.326 40.629 1.00 0.00 C ATOM 674 CD1 LEU A 45 7.321 -9.568 39.572 1.00 0.00 C ATOM 675 CD2 LEU A 45 7.174 -10.160 41.998 1.00 0.00 C ATOM 0 H LEU A 45 4.225 -11.359 38.835 1.00 0.00 H new ATOM 0 HA LEU A 45 4.317 -11.550 41.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.863 -9.349 39.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.977 -9.105 41.445 1.00 0.00 H new ATOM 0 HG LEU A 45 6.543 -11.385 40.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.353 -9.919 39.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.874 -9.739 38.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.302 -8.502 39.799 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.208 -10.503 41.959 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.151 -9.109 42.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.624 -10.749 42.732 1.00 0.00 H new ATOM 687 N VAL A 46 2.048 -9.719 40.167 1.00 0.00 N ATOM 688 CA VAL A 46 0.752 -9.072 40.330 1.00 0.00 C ATOM 689 C VAL A 46 -0.270 -10.032 40.929 1.00 0.00 C ATOM 690 O VAL A 46 -1.248 -9.608 41.545 1.00 0.00 O ATOM 691 CB VAL A 46 0.216 -8.543 38.987 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.355 -9.600 37.902 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.232 -8.100 39.128 1.00 0.00 C ATOM 0 H VAL A 46 2.417 -9.690 39.217 1.00 0.00 H new ATOM 0 HA VAL A 46 0.901 -8.233 41.010 1.00 0.00 H new ATOM 0 HB VAL A 46 0.810 -7.677 38.695 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.029 -9.208 36.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.406 -9.864 37.783 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.212 -10.487 38.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.594 -7.729 38.169 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.842 -8.946 39.444 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.299 -7.307 39.873 1.00 0.00 H new ATOM 703 N ARG A 47 -0.036 -11.327 40.745 1.00 0.00 N ATOM 704 CA ARG A 47 -0.937 -12.348 41.267 1.00 0.00 C ATOM 705 C ARG A 47 -2.212 -12.425 40.433 1.00 0.00 C ATOM 706 O ARG A 47 -3.064 -13.284 40.662 1.00 0.00 O ATOM 707 CB ARG A 47 -1.285 -12.052 42.727 1.00 0.00 C ATOM 708 CG ARG A 47 -1.124 -13.252 43.646 1.00 0.00 C ATOM 709 CD ARG A 47 -2.305 -14.203 43.533 1.00 0.00 C ATOM 710 NE ARG A 47 -2.620 -14.839 44.809 1.00 0.00 N ATOM 711 CZ ARG A 47 -3.159 -14.195 45.838 1.00 0.00 C ATOM 712 NH1 ARG A 47 -3.443 -12.903 45.741 1.00 0.00 N ATOM 713 NH2 ARG A 47 -3.417 -14.843 46.967 1.00 0.00 N ATOM 0 H ARG A 47 0.770 -11.694 40.239 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.429 -13.310 41.210 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.650 -11.242 43.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.315 -11.698 42.782 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.204 -13.781 43.397 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.027 -12.912 44.677 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.178 -13.656 43.175 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.083 -14.970 42.791 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.415 -15.832 44.916 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.248 -12.402 44.875 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.857 -12.411 46.533 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.201 -15.837 47.045 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.831 -14.347 47.756 1.00 0.00 H new ATOM 727 N ARG A 48 -2.337 -11.521 39.467 1.00 0.00 N ATOM 728 CA ARG A 48 -3.510 -11.485 38.601 1.00 0.00 C ATOM 729 C ARG A 48 -3.919 -12.894 38.182 1.00 0.00 C ATOM 730 O ARG A 48 -3.121 -13.830 38.246 1.00 0.00 O ATOM 731 CB ARG A 48 -3.228 -10.635 37.361 1.00 0.00 C ATOM 732 CG ARG A 48 -4.320 -9.622 37.057 1.00 0.00 C ATOM 733 CD ARG A 48 -4.703 -8.826 38.294 1.00 0.00 C ATOM 734 NE ARG A 48 -5.195 -7.493 37.958 1.00 0.00 N ATOM 735 CZ ARG A 48 -5.977 -6.775 38.756 1.00 0.00 C ATOM 736 NH1 ARG A 48 -6.353 -7.259 39.932 1.00 0.00 N ATOM 737 NH2 ARG A 48 -6.384 -5.570 38.379 1.00 0.00 N ATOM 0 H ARG A 48 -1.641 -10.804 39.264 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.331 -11.038 39.161 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.284 -10.108 37.499 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.104 -11.292 36.500 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.979 -8.942 36.277 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.198 -10.138 36.669 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.470 -9.366 38.849 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.837 -8.738 38.950 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.923 -7.091 37.061 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.042 -8.185 40.226 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.954 -6.705 40.543 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.096 -5.194 37.475 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.985 -5.019 38.993 1.00 0.00 H new ATOM 751 N LYS A 49 -5.169 -13.039 37.755 1.00 0.00 N ATOM 752 CA LYS A 49 -5.686 -14.333 37.325 1.00 0.00 C ATOM 753 C LYS A 49 -4.919 -14.849 36.112 1.00 0.00 C ATOM 754 O LYS A 49 -5.404 -14.778 34.983 1.00 0.00 O ATOM 755 CB LYS A 49 -7.176 -14.225 36.992 1.00 0.00 C ATOM 756 CG LYS A 49 -7.888 -15.565 36.947 1.00 0.00 C ATOM 757 CD LYS A 49 -9.346 -15.436 37.354 1.00 0.00 C ATOM 758 CE LYS A 49 -10.254 -15.312 36.140 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.913 -16.605 35.806 1.00 0.00 N ATOM 0 H LYS A 49 -5.843 -12.276 37.697 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.554 -15.040 38.144 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.660 -13.591 37.734 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.289 -13.730 36.027 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.826 -15.977 35.940 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.385 -16.268 37.611 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.639 -16.306 37.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.470 -14.562 37.994 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.015 -14.555 36.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.672 -14.969 35.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.523 -16.479 34.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.188 -17.321 35.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.489 -16.920 36.613 1.00 0.00 H new ATOM 773 N ASN A 50 -3.720 -15.370 36.353 1.00 0.00 N ATOM 774 CA ASN A 50 -2.887 -15.899 35.279 1.00 0.00 C ATOM 775 C ASN A 50 -3.072 -15.092 33.998 1.00 0.00 C ATOM 776 O ASN A 50 -3.037 -15.640 32.896 1.00 0.00 O ATOM 777 CB ASN A 50 -3.223 -17.369 35.022 1.00 0.00 C ATOM 778 CG ASN A 50 -2.963 -18.242 36.235 1.00 0.00 C ATOM 779 OD1 ASN A 50 -3.887 -18.601 36.965 1.00 0.00 O ATOM 780 ND2 ASN A 50 -1.700 -18.588 36.455 1.00 0.00 N ATOM 0 H ASN A 50 -3.304 -15.437 37.282 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.845 -15.820 35.589 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.271 -17.454 34.734 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.631 -17.733 34.182 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.464 -19.174 37.255 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.966 -18.267 35.823 1.00 0.00 H new ATOM 787 N PHE A 51 -3.270 -13.787 34.151 1.00 0.00 N ATOM 788 CA PHE A 51 -3.462 -12.903 33.007 1.00 0.00 C ATOM 789 C PHE A 51 -2.175 -12.775 32.197 1.00 0.00 C ATOM 790 O PHE A 51 -1.126 -13.285 32.592 1.00 0.00 O ATOM 791 CB PHE A 51 -3.924 -11.522 33.474 1.00 0.00 C ATOM 792 CG PHE A 51 -2.900 -10.444 33.263 1.00 0.00 C ATOM 793 CD1 PHE A 51 -1.873 -10.257 34.174 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.964 -9.617 32.153 1.00 0.00 C ATOM 795 CE1 PHE A 51 -0.929 -9.266 33.983 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.022 -8.625 31.956 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.004 -8.448 32.872 1.00 0.00 C ATOM 0 H PHE A 51 -3.302 -13.318 35.056 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.231 -13.338 32.368 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.837 -11.254 32.942 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.175 -11.571 34.534 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.809 -10.894 35.044 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.759 -9.749 31.434 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.134 -9.131 34.701 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.082 -7.988 31.086 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.268 -7.672 32.720 1.00 0.00 H new ATOM 807 N VAL A 52 -2.263 -12.089 31.062 1.00 0.00 N ATOM 808 CA VAL A 52 -1.106 -11.892 30.196 1.00 0.00 C ATOM 809 C VAL A 52 -1.145 -10.521 29.532 1.00 0.00 C ATOM 810 O VAL A 52 -2.208 -9.984 29.219 1.00 0.00 O ATOM 811 CB VAL A 52 -1.031 -12.977 29.105 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.783 -12.348 27.742 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.052 -13.992 29.438 1.00 0.00 C ATOM 0 H VAL A 52 -3.123 -11.660 30.721 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.221 -11.961 30.828 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.987 -13.498 29.069 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.733 -13.130 26.984 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.597 -11.663 27.504 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.159 -11.800 27.760 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.091 -14.751 28.657 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.016 -13.487 29.503 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.174 -14.465 30.393 1.00 0.00 H new ATOM 823 N PRO A 53 0.043 -9.938 29.309 1.00 0.00 N ATOM 824 CA PRO A 53 0.172 -8.621 28.678 1.00 0.00 C ATOM 825 C PRO A 53 -0.203 -8.647 27.200 1.00 0.00 C ATOM 826 O PRO A 53 -0.789 -9.613 26.715 1.00 0.00 O ATOM 827 CB PRO A 53 1.657 -8.291 28.847 1.00 0.00 C ATOM 828 CG PRO A 53 2.329 -9.616 28.958 1.00 0.00 C ATOM 829 CD PRO A 53 1.350 -10.520 29.655 1.00 0.00 C ATOM 0 HA PRO A 53 -0.496 -7.886 29.128 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.036 -7.725 27.996 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.829 -7.684 29.736 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.588 -10.006 27.974 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.258 -9.536 29.523 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.436 -11.550 29.308 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.512 -10.533 30.733 1.00 0.00 H new ATOM 837 N GLY A 54 0.140 -7.577 26.488 1.00 0.00 N ATOM 838 CA GLY A 54 -0.168 -7.498 25.073 1.00 0.00 C ATOM 839 C GLY A 54 -1.278 -6.509 24.775 1.00 0.00 C ATOM 840 O GLY A 54 -2.161 -6.781 23.962 1.00 0.00 O ATOM 0 H GLY A 54 0.626 -6.764 26.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.729 -7.209 24.525 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.458 -8.485 24.712 1.00 0.00 H new ATOM 844 N LYS A 55 -1.236 -5.358 25.437 1.00 0.00 N ATOM 845 CA LYS A 55 -2.245 -4.324 25.241 1.00 0.00 C ATOM 846 C LYS A 55 -1.971 -3.119 26.135 1.00 0.00 C ATOM 847 O LYS A 55 -0.823 -2.842 26.486 1.00 0.00 O ATOM 848 CB LYS A 55 -3.640 -4.883 25.534 1.00 0.00 C ATOM 849 CG LYS A 55 -4.693 -4.443 24.532 1.00 0.00 C ATOM 850 CD LYS A 55 -5.764 -5.505 24.346 1.00 0.00 C ATOM 851 CE LYS A 55 -6.429 -5.862 25.666 1.00 0.00 C ATOM 852 NZ LYS A 55 -7.818 -6.363 25.470 1.00 0.00 N ATOM 0 H LYS A 55 -0.513 -5.117 26.115 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.200 -4.000 24.201 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.592 -5.972 25.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.946 -4.569 26.532 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.154 -3.515 24.871 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.219 -4.231 23.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.516 -5.146 23.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.320 -6.399 23.908 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.838 -6.622 26.177 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.447 -4.985 26.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.237 -6.595 26.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.390 -5.629 25.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.799 -7.215 24.874 1.00 0.00 H new ATOM 866 N HIS A 56 -3.031 -2.406 26.502 1.00 0.00 N ATOM 867 CA HIS A 56 -2.904 -1.232 27.357 1.00 0.00 C ATOM 868 C HIS A 56 -2.333 -1.612 28.720 1.00 0.00 C ATOM 869 O HIS A 56 -1.961 -0.746 29.513 1.00 0.00 O ATOM 870 CB HIS A 56 -4.262 -0.552 27.531 1.00 0.00 C ATOM 871 CG HIS A 56 -5.418 -1.505 27.496 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.444 -2.683 28.212 1.00 0.00 N ATOM 873 CD2 HIS A 56 -6.592 -1.448 26.825 1.00 0.00 C ATOM 874 CE1 HIS A 56 -6.584 -3.309 27.983 1.00 0.00 C ATOM 875 NE2 HIS A 56 -7.299 -2.581 27.144 1.00 0.00 N ATOM 0 H HIS A 56 -3.987 -2.621 26.220 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.217 -0.536 26.876 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.272 -0.016 28.480 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.390 0.191 26.744 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.913 -0.658 26.162 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.881 -4.256 28.409 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.225 -2.821 26.791 1.00 0.00 H new ATOM 883 N THR A 57 -2.268 -2.912 28.988 1.00 0.00 N ATOM 884 CA THR A 57 -1.745 -3.407 30.255 1.00 0.00 C ATOM 885 C THR A 57 -0.472 -2.667 30.651 1.00 0.00 C ATOM 886 O THR A 57 0.553 -2.768 29.976 1.00 0.00 O ATOM 887 CB THR A 57 -1.447 -4.917 30.189 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.646 -5.639 29.889 1.00 0.00 O ATOM 889 CG2 THR A 57 -0.867 -5.412 31.506 1.00 0.00 C ATOM 0 H THR A 57 -2.572 -3.642 28.344 1.00 0.00 H new ATOM 0 HA THR A 57 -2.515 -3.228 31.006 1.00 0.00 H new ATOM 0 HB THR A 57 -0.714 -5.087 29.401 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.425 -6.573 29.690 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.665 -6.481 31.436 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.061 -4.880 31.718 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.581 -5.230 32.309 1.00 0.00 H new ATOM 897 N PHE A 58 -0.543 -1.923 31.750 1.00 0.00 N ATOM 898 CA PHE A 58 0.604 -1.165 32.236 1.00 0.00 C ATOM 899 C PHE A 58 0.607 -1.101 33.760 1.00 0.00 C ATOM 900 O PHE A 58 -0.448 -1.106 34.396 1.00 0.00 O ATOM 901 CB PHE A 58 0.590 0.251 31.654 1.00 0.00 C ATOM 902 CG PHE A 58 0.372 1.320 32.686 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.435 1.819 33.421 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.896 1.827 32.921 1.00 0.00 C ATOM 905 CE1 PHE A 58 1.237 2.803 34.372 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.100 2.811 33.870 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.032 3.300 34.595 1.00 0.00 C ATOM 0 H PHE A 58 -1.383 -1.829 32.321 1.00 0.00 H new ATOM 0 HA PHE A 58 1.510 -1.675 31.910 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.536 0.436 31.145 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.195 0.318 30.901 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.430 1.435 33.249 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.735 1.449 32.356 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.074 3.182 34.940 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.094 3.197 34.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.189 4.070 35.336 1.00 0.00 H new ATOM 917 N LEU A 59 1.800 -1.041 34.341 1.00 0.00 N ATOM 918 CA LEU A 59 1.943 -0.976 35.791 1.00 0.00 C ATOM 919 C LEU A 59 2.528 0.365 36.222 1.00 0.00 C ATOM 920 O LEU A 59 3.511 0.838 35.651 1.00 0.00 O ATOM 921 CB LEU A 59 2.834 -2.117 36.287 1.00 0.00 C ATOM 922 CG LEU A 59 2.275 -3.529 36.112 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.782 -4.444 37.216 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.754 -3.503 36.094 1.00 0.00 C ATOM 0 H LEU A 59 2.683 -1.036 33.830 1.00 0.00 H new ATOM 0 HA LEU A 59 0.952 -1.078 36.233 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.789 -2.059 35.765 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.039 -1.957 37.346 1.00 0.00 H new ATOM 0 HG LEU A 59 2.622 -3.920 35.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.374 -5.445 37.075 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.871 -4.488 37.181 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.465 -4.056 38.184 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.374 -4.517 35.969 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.386 -3.091 37.034 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.410 -2.882 35.267 1.00 0.00 H new ATOM 936 N CYS A 60 1.918 0.973 37.234 1.00 0.00 N ATOM 937 CA CYS A 60 2.378 2.260 37.743 1.00 0.00 C ATOM 938 C CYS A 60 3.816 2.163 38.243 1.00 0.00 C ATOM 939 O CYS A 60 4.498 1.164 38.015 1.00 0.00 O ATOM 940 CB CYS A 60 1.465 2.740 38.873 1.00 0.00 C ATOM 941 SG CYS A 60 -0.311 2.668 38.476 1.00 0.00 S ATOM 0 H CYS A 60 1.104 0.595 37.718 1.00 0.00 H new ATOM 0 HA CYS A 60 2.343 2.980 36.926 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.653 2.134 39.760 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.728 3.767 39.127 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.960 2.158 39.480 1.00 0.00 H new ATOM 946 N SER A 61 4.271 3.210 38.924 1.00 0.00 N ATOM 947 CA SER A 61 5.630 3.246 39.453 1.00 0.00 C ATOM 948 C SER A 61 5.638 2.949 40.950 1.00 0.00 C ATOM 949 O SER A 61 6.643 2.498 41.500 1.00 0.00 O ATOM 950 CB SER A 61 6.267 4.611 39.189 1.00 0.00 C ATOM 951 OG SER A 61 5.706 5.607 40.028 1.00 0.00 O ATOM 0 H SER A 61 3.719 4.044 39.122 1.00 0.00 H new ATOM 0 HA SER A 61 6.212 2.477 38.944 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.342 4.553 39.357 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.123 4.887 38.145 1.00 0.00 H new ATOM 0 HG SER A 61 6.131 6.470 39.841 1.00 0.00 H new ATOM 957 N LYS A 62 4.510 3.206 41.604 1.00 0.00 N ATOM 958 CA LYS A 62 4.384 2.966 43.036 1.00 0.00 C ATOM 959 C LYS A 62 4.544 1.483 43.356 1.00 0.00 C ATOM 960 O LYS A 62 4.926 1.115 44.467 1.00 0.00 O ATOM 961 CB LYS A 62 3.028 3.464 43.540 1.00 0.00 C ATOM 962 CG LYS A 62 2.951 4.973 43.688 1.00 0.00 C ATOM 963 CD LYS A 62 1.527 5.478 43.526 1.00 0.00 C ATOM 964 CE LYS A 62 1.183 6.526 44.573 1.00 0.00 C ATOM 965 NZ LYS A 62 1.148 5.947 45.945 1.00 0.00 N ATOM 0 H LYS A 62 3.670 3.581 41.164 1.00 0.00 H new ATOM 0 HA LYS A 62 5.177 3.516 43.542 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.250 3.135 42.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.816 3.002 44.504 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.332 5.263 44.667 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.592 5.446 42.944 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.402 5.903 42.530 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.832 4.642 43.605 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.917 7.331 44.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.214 6.968 44.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.556 6.543 46.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.750 4.987 45.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.114 5.906 46.329 1.00 0.00 H new ATOM 979 N HIS A 63 4.250 0.636 42.374 1.00 0.00 N ATOM 980 CA HIS A 63 4.363 -0.808 42.551 1.00 0.00 C ATOM 981 C HIS A 63 5.815 -1.214 42.792 1.00 0.00 C ATOM 982 O HIS A 63 6.097 -2.097 43.601 1.00 0.00 O ATOM 983 CB HIS A 63 3.814 -1.538 41.325 1.00 0.00 C ATOM 984 CG HIS A 63 2.358 -1.287 41.081 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.370 -1.668 41.965 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.724 -0.687 40.047 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.192 -1.316 41.483 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.379 -0.718 40.320 1.00 0.00 N ATOM 0 H HIS A 63 3.932 0.924 41.449 1.00 0.00 H new ATOM 0 HA HIS A 63 3.776 -1.089 43.425 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.380 -1.230 40.446 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.974 -2.609 41.448 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.190 -0.263 39.170 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.762 -1.488 41.959 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.356 -0.341 39.722 1.00 0.00 H new ATOM 996 N PHE A 64 6.731 -0.563 42.083 1.00 0.00 N ATOM 997 CA PHE A 64 8.153 -0.857 42.218 1.00 0.00 C ATOM 998 C PHE A 64 8.778 -0.021 43.330 1.00 0.00 C ATOM 999 O PHE A 64 8.359 1.109 43.582 1.00 0.00 O ATOM 1000 CB PHE A 64 8.878 -0.592 40.896 1.00 0.00 C ATOM 1001 CG PHE A 64 8.200 -1.209 39.707 1.00 0.00 C ATOM 1002 CD1 PHE A 64 7.147 -0.562 39.080 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.615 -2.436 39.215 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.521 -1.128 37.985 1.00 0.00 C ATOM 1005 CE2 PHE A 64 7.993 -3.007 38.120 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.945 -2.351 37.504 1.00 0.00 C ATOM 0 H PHE A 64 6.514 0.171 41.409 1.00 0.00 H new ATOM 0 HA PHE A 64 8.258 -1.911 42.477 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.955 0.484 40.742 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.895 -0.978 40.965 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.812 0.395 39.451 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.434 -2.953 39.693 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.701 -0.614 37.506 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.326 -3.964 37.747 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.458 -2.794 36.648 1.00 0.00 H new ATOM 1016 N GLU A 65 9.783 -0.585 43.993 1.00 0.00 N ATOM 1017 CA GLU A 65 10.465 0.109 45.080 1.00 0.00 C ATOM 1018 C GLU A 65 11.113 1.397 44.581 1.00 0.00 C ATOM 1019 O GLU A 65 10.456 2.432 44.469 1.00 0.00 O ATOM 1020 CB GLU A 65 11.525 -0.799 45.707 1.00 0.00 C ATOM 1021 CG GLU A 65 10.957 -1.815 46.683 1.00 0.00 C ATOM 1022 CD GLU A 65 11.601 -1.732 48.053 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.716 -1.179 48.153 1.00 0.00 O ATOM 1024 OE2 GLU A 65 10.989 -2.220 49.026 1.00 0.00 O ATOM 0 H GLU A 65 10.143 -1.519 43.797 1.00 0.00 H new ATOM 0 HA GLU A 65 9.723 0.366 45.836 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.054 -1.327 44.914 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.259 -0.182 46.225 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.883 -1.658 46.781 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.097 -2.818 46.280 1.00 0.00 H new ATOM 1031 N ALA A 66 12.406 1.326 44.284 1.00 0.00 N ATOM 1032 CA ALA A 66 13.143 2.485 43.796 1.00 0.00 C ATOM 1033 C ALA A 66 14.330 2.060 42.939 1.00 0.00 C ATOM 1034 O ALA A 66 14.597 2.652 41.894 1.00 0.00 O ATOM 1035 CB ALA A 66 13.613 3.341 44.963 1.00 0.00 C ATOM 0 H ALA A 66 12.965 0.478 44.373 1.00 0.00 H new ATOM 0 HA ALA A 66 12.471 3.075 43.173 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.162 4.203 44.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.750 3.683 45.534 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.264 2.751 45.608 1.00 0.00 H new ATOM 1041 N SER A 67 15.040 1.030 43.388 1.00 0.00 N ATOM 1042 CA SER A 67 16.202 0.528 42.664 1.00 0.00 C ATOM 1043 C SER A 67 15.787 -0.089 41.332 1.00 0.00 C ATOM 1044 O SER A 67 16.630 -0.392 40.486 1.00 0.00 O ATOM 1045 CB SER A 67 16.948 -0.507 43.508 1.00 0.00 C ATOM 1046 OG SER A 67 18.062 0.075 44.162 1.00 0.00 O ATOM 0 H SER A 67 14.831 0.527 44.250 1.00 0.00 H new ATOM 0 HA SER A 67 16.866 1.369 42.464 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.271 -0.934 44.247 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.283 -1.326 42.872 1.00 0.00 H new ATOM 0 HG SER A 67 18.521 -0.607 44.696 1.00 0.00 H new ATOM 1052 N CYS A 68 14.484 -0.272 41.153 1.00 0.00 N ATOM 1053 CA CYS A 68 13.955 -0.854 39.924 1.00 0.00 C ATOM 1054 C CYS A 68 13.822 0.205 38.834 1.00 0.00 C ATOM 1055 O CYS A 68 13.459 -0.100 37.698 1.00 0.00 O ATOM 1056 CB CYS A 68 12.597 -1.506 40.187 1.00 0.00 C ATOM 1057 SG CYS A 68 12.683 -3.018 41.174 1.00 0.00 S ATOM 0 H CYS A 68 13.774 -0.026 41.843 1.00 0.00 H new ATOM 0 HA CYS A 68 14.655 -1.616 39.581 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.954 -0.788 40.697 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.125 -1.735 39.232 1.00 0.00 H new ATOM 0 HG CYS A 68 11.485 -3.494 41.344 1.00 0.00 H new ATOM 1063 N PHE A 69 14.117 1.452 39.189 1.00 0.00 N ATOM 1064 CA PHE A 69 14.027 2.557 38.242 1.00 0.00 C ATOM 1065 C PHE A 69 15.417 3.038 37.835 1.00 0.00 C ATOM 1066 O PHE A 69 16.428 2.509 38.296 1.00 0.00 O ATOM 1067 CB PHE A 69 13.232 3.715 38.850 1.00 0.00 C ATOM 1068 CG PHE A 69 11.797 3.374 39.132 1.00 0.00 C ATOM 1069 CD1 PHE A 69 10.910 3.140 38.094 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.335 3.287 40.435 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.589 2.826 38.349 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.015 2.972 40.697 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.140 2.743 39.653 1.00 0.00 C ATOM 0 H PHE A 69 14.420 1.722 40.125 1.00 0.00 H new ATOM 0 HA PHE A 69 13.510 2.199 37.352 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.712 4.027 39.778 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.268 4.566 38.170 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.255 3.204 37.073 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.014 3.467 41.255 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.908 2.646 37.530 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.668 2.905 41.717 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.107 2.500 39.856 1.00 0.00 H new ATOM 1083 N ASP A 70 15.457 4.044 36.968 1.00 0.00 N ATOM 1084 CA ASP A 70 16.722 4.598 36.498 1.00 0.00 C ATOM 1085 C ASP A 70 16.960 5.985 37.087 1.00 0.00 C ATOM 1086 O ASP A 70 16.567 6.995 36.502 1.00 0.00 O ATOM 1087 CB ASP A 70 16.735 4.669 34.970 1.00 0.00 C ATOM 1088 CG ASP A 70 17.985 4.053 34.373 1.00 0.00 C ATOM 1089 OD1 ASP A 70 18.525 3.103 34.978 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.424 4.521 33.301 1.00 0.00 O ATOM 0 H ASP A 70 14.629 4.492 36.577 1.00 0.00 H new ATOM 0 HA ASP A 70 17.525 3.940 36.830 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.857 4.155 34.578 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.661 5.710 34.657 1.00 0.00 H new ATOM 1095 N LEU A 71 17.604 6.027 38.247 1.00 0.00 N ATOM 1096 CA LEU A 71 17.894 7.290 38.917 1.00 0.00 C ATOM 1097 C LEU A 71 19.049 8.015 38.234 1.00 0.00 C ATOM 1098 O LEU A 71 19.064 9.244 38.151 1.00 0.00 O ATOM 1099 CB LEU A 71 18.230 7.045 40.389 1.00 0.00 C ATOM 1100 CG LEU A 71 17.304 6.085 41.137 1.00 0.00 C ATOM 1101 CD1 LEU A 71 15.860 6.292 40.707 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.731 4.643 40.904 1.00 0.00 C ATOM 0 H LEU A 71 17.936 5.201 38.744 1.00 0.00 H new ATOM 0 HA LEU A 71 17.006 7.919 38.854 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.247 6.658 40.449 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.222 8.004 40.907 1.00 0.00 H new ATOM 0 HG LEU A 71 17.377 6.297 42.204 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.216 5.600 41.250 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.558 7.316 40.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.769 6.108 39.636 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.061 3.973 41.444 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.688 4.418 39.838 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.751 4.503 41.263 1.00 0.00 H new ATOM 1152 N THR A 75 15.694 11.379 34.750 1.00 0.00 N ATOM 1153 CA THR A 75 14.439 11.088 35.431 1.00 0.00 C ATOM 1154 C THR A 75 14.367 9.624 35.851 1.00 0.00 C ATOM 1155 O THR A 75 15.201 8.812 35.450 1.00 0.00 O ATOM 1156 CB THR A 75 13.227 11.413 34.538 1.00 0.00 C ATOM 1157 OG1 THR A 75 12.073 10.702 35.000 1.00 0.00 O ATOM 1158 CG2 THR A 75 13.508 11.046 33.089 1.00 0.00 C ATOM 0 HA THR A 75 14.408 11.720 36.319 1.00 0.00 H new ATOM 0 HB THR A 75 13.040 12.485 34.595 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.306 10.916 34.428 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.638 11.285 32.478 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.369 11.611 32.731 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.719 9.979 33.018 1.00 0.00 H new ATOM 1166 N ARG A 76 13.366 9.294 36.660 1.00 0.00 N ATOM 1167 CA ARG A 76 13.187 7.927 37.135 1.00 0.00 C ATOM 1168 C ARG A 76 12.433 7.089 36.107 1.00 0.00 C ATOM 1169 O ARG A 76 11.258 7.335 35.833 1.00 0.00 O ATOM 1170 CB ARG A 76 12.433 7.921 38.466 1.00 0.00 C ATOM 1171 CG ARG A 76 13.328 7.692 39.673 1.00 0.00 C ATOM 1172 CD ARG A 76 12.933 8.586 40.838 1.00 0.00 C ATOM 1173 NE ARG A 76 13.169 9.998 40.548 1.00 0.00 N ATOM 1174 CZ ARG A 76 13.245 10.937 41.484 1.00 0.00 C ATOM 1175 NH1 ARG A 76 13.104 10.616 42.763 1.00 0.00 N ATOM 1176 NH2 ARG A 76 13.462 12.201 41.142 1.00 0.00 N ATOM 0 H ARG A 76 12.667 9.954 37.000 1.00 0.00 H new ATOM 0 HA ARG A 76 14.174 7.488 37.283 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.915 8.872 38.584 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.670 7.143 38.438 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.268 6.647 39.978 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.365 7.886 39.400 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.879 8.435 41.070 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.499 8.298 41.724 1.00 0.00 H new ATOM 0 HE ARG A 76 13.282 10.278 39.574 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.937 9.646 43.030 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.163 11.339 43.480 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.571 12.452 40.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.520 12.921 41.862 1.00 0.00 H new ATOM 1190 N ARG A 77 13.116 6.099 35.542 1.00 0.00 N ATOM 1191 CA ARG A 77 12.511 5.226 34.543 1.00 0.00 C ATOM 1192 C ARG A 77 12.660 3.760 34.941 1.00 0.00 C ATOM 1193 O ARG A 77 13.735 3.324 35.356 1.00 0.00 O ATOM 1194 CB ARG A 77 13.152 5.461 33.174 1.00 0.00 C ATOM 1195 CG ARG A 77 12.983 6.881 32.659 1.00 0.00 C ATOM 1196 CD ARG A 77 13.931 7.172 31.506 1.00 0.00 C ATOM 1197 NE ARG A 77 13.745 8.518 30.971 1.00 0.00 N ATOM 1198 CZ ARG A 77 12.668 8.897 30.292 1.00 0.00 C ATOM 1199 NH1 ARG A 77 11.685 8.036 30.067 1.00 0.00 N ATOM 1200 NH2 ARG A 77 12.572 10.140 29.837 1.00 0.00 N ATOM 0 H ARG A 77 14.089 5.881 35.759 1.00 0.00 H new ATOM 0 HA ARG A 77 11.449 5.463 34.485 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.215 5.230 33.235 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.716 4.768 32.454 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.954 7.031 32.332 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.166 7.587 33.469 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.960 7.056 31.845 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.772 6.441 30.713 1.00 0.00 H new ATOM 0 HE ARG A 77 14.483 9.205 31.127 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.755 7.080 30.416 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.859 8.330 29.545 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.326 10.806 30.009 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.745 10.430 29.316 1.00 0.00 H new ATOM 1214 N LEU A 78 11.575 3.005 34.812 1.00 0.00 N ATOM 1215 CA LEU A 78 11.584 1.588 35.159 1.00 0.00 C ATOM 1216 C LEU A 78 12.591 0.824 34.303 1.00 0.00 C ATOM 1217 O LEU A 78 12.443 0.733 33.085 1.00 0.00 O ATOM 1218 CB LEU A 78 10.188 0.990 34.979 1.00 0.00 C ATOM 1219 CG LEU A 78 9.985 -0.421 35.533 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.057 -1.361 35.005 1.00 0.00 C ATOM 1221 CD2 LEU A 78 9.992 -0.401 37.055 1.00 0.00 C ATOM 0 H LEU A 78 10.678 3.350 34.470 1.00 0.00 H new ATOM 0 HA LEU A 78 11.880 1.497 36.204 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.466 1.653 35.456 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.954 0.978 33.914 1.00 0.00 H new ATOM 0 HG LEU A 78 9.014 -0.787 35.198 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.896 -2.360 35.410 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.005 -1.398 33.917 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.039 -1.000 35.309 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.846 -1.413 37.433 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.948 -0.015 37.409 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.187 0.240 37.414 1.00 0.00 H new ATOM 1233 N LYS A 79 13.613 0.276 34.950 1.00 0.00 N ATOM 1234 CA LYS A 79 14.644 -0.483 34.251 1.00 0.00 C ATOM 1235 C LYS A 79 14.055 -1.735 33.609 1.00 0.00 C ATOM 1236 O LYS A 79 13.376 -2.521 34.268 1.00 0.00 O ATOM 1237 CB LYS A 79 15.764 -0.871 35.218 1.00 0.00 C ATOM 1238 CG LYS A 79 16.701 0.276 35.556 1.00 0.00 C ATOM 1239 CD LYS A 79 17.253 0.148 36.966 1.00 0.00 C ATOM 1240 CE LYS A 79 17.986 -1.171 37.159 1.00 0.00 C ATOM 1241 NZ LYS A 79 17.390 -1.980 38.258 1.00 0.00 N ATOM 0 H LYS A 79 13.750 0.343 35.959 1.00 0.00 H new ATOM 0 HA LYS A 79 15.055 0.149 33.464 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.322 -1.251 36.139 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.343 -1.685 34.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.525 0.297 34.842 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.170 1.222 35.457 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.932 0.976 37.169 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.437 0.221 37.685 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.957 -1.742 36.231 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.035 -0.975 37.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.089 -2.670 38.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.113 -1.353 39.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.551 -2.483 37.904 1.00 0.00 H new ATOM 1255 N MET A 80 14.322 -1.914 32.319 1.00 0.00 N ATOM 1256 CA MET A 80 13.821 -3.073 31.590 1.00 0.00 C ATOM 1257 C MET A 80 14.265 -4.370 32.257 1.00 0.00 C ATOM 1258 O MET A 80 13.749 -5.445 31.952 1.00 0.00 O ATOM 1259 CB MET A 80 14.307 -3.039 30.140 1.00 0.00 C ATOM 1260 CG MET A 80 14.313 -1.645 29.533 1.00 0.00 C ATOM 1261 SD MET A 80 14.299 -1.673 27.730 1.00 0.00 S ATOM 1262 CE MET A 80 12.543 -1.821 27.408 1.00 0.00 C ATOM 0 H MET A 80 14.882 -1.272 31.758 1.00 0.00 H new ATOM 0 HA MET A 80 12.732 -3.035 31.602 1.00 0.00 H new ATOM 0 HB2 MET A 80 15.315 -3.451 30.094 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.670 -3.686 29.537 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.444 -1.093 29.891 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.196 -1.107 29.877 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.372 -1.851 26.332 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.166 -2.738 27.861 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.021 -0.964 27.835 1.00 0.00 H new ATOM 1272 N ASP A 81 15.225 -4.262 33.169 1.00 0.00 N ATOM 1273 CA ASP A 81 15.739 -5.426 33.881 1.00 0.00 C ATOM 1274 C ASP A 81 15.225 -5.456 35.317 1.00 0.00 C ATOM 1275 O ASP A 81 15.917 -5.916 36.225 1.00 0.00 O ATOM 1276 CB ASP A 81 17.268 -5.422 33.873 1.00 0.00 C ATOM 1277 CG ASP A 81 17.854 -6.622 34.591 1.00 0.00 C ATOM 1278 OD1 ASP A 81 17.596 -7.762 34.150 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.572 -6.421 35.593 1.00 0.00 O ATOM 0 H ASP A 81 15.663 -3.379 33.433 1.00 0.00 H new ATOM 0 HA ASP A 81 15.384 -6.320 33.369 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.623 -5.410 32.842 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.629 -4.508 34.345 1.00 0.00 H new ATOM 1284 N ALA A 82 14.008 -4.961 35.515 1.00 0.00 N ATOM 1285 CA ALA A 82 13.401 -4.931 36.840 1.00 0.00 C ATOM 1286 C ALA A 82 12.030 -5.598 36.831 1.00 0.00 C ATOM 1287 O ALA A 82 11.397 -5.725 35.783 1.00 0.00 O ATOM 1288 CB ALA A 82 13.290 -3.498 37.338 1.00 0.00 C ATOM 0 H ALA A 82 13.423 -4.575 34.774 1.00 0.00 H new ATOM 0 HA ALA A 82 14.044 -5.491 37.519 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.835 -3.491 38.328 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.284 -3.054 37.392 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.672 -2.921 36.651 1.00 0.00 H new ATOM 1294 N VAL A 83 11.576 -6.024 38.006 1.00 0.00 N ATOM 1295 CA VAL A 83 10.279 -6.677 38.134 1.00 0.00 C ATOM 1296 C VAL A 83 9.520 -6.160 39.350 1.00 0.00 C ATOM 1297 O VAL A 83 10.108 -5.739 40.347 1.00 0.00 O ATOM 1298 CB VAL A 83 10.430 -8.206 38.248 1.00 0.00 C ATOM 1299 CG1 VAL A 83 10.055 -8.880 36.937 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.849 -8.572 38.658 1.00 0.00 C ATOM 0 H VAL A 83 12.088 -5.928 38.883 1.00 0.00 H new ATOM 0 HA VAL A 83 9.715 -6.441 37.231 1.00 0.00 H new ATOM 0 HB VAL A 83 9.749 -8.564 39.020 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.168 -9.959 37.037 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.020 -8.645 36.690 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.708 -8.519 36.143 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.938 -9.656 38.734 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.551 -8.202 37.910 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.076 -8.121 39.624 1.00 0.00 H new ATOM 1310 N PRO A 84 8.182 -6.191 39.270 1.00 0.00 N ATOM 1311 CA PRO A 84 7.312 -5.730 40.356 1.00 0.00 C ATOM 1312 C PRO A 84 7.359 -6.654 41.568 1.00 0.00 C ATOM 1313 O PRO A 84 6.579 -7.602 41.670 1.00 0.00 O ATOM 1314 CB PRO A 84 5.918 -5.745 39.725 1.00 0.00 C ATOM 1315 CG PRO A 84 6.006 -6.757 38.635 1.00 0.00 C ATOM 1316 CD PRO A 84 7.414 -6.680 38.112 1.00 0.00 C ATOM 0 HA PRO A 84 7.613 -4.752 40.733 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.156 -6.015 40.456 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.650 -4.764 39.333 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.783 -7.756 39.011 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.284 -6.545 37.846 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.771 -7.653 37.775 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.491 -6.001 37.263 1.00 0.00 H new ATOM 1324 N THR A 85 8.278 -6.373 42.486 1.00 0.00 N ATOM 1325 CA THR A 85 8.426 -7.179 43.691 1.00 0.00 C ATOM 1326 C THR A 85 7.525 -6.669 44.809 1.00 0.00 C ATOM 1327 O THR A 85 7.828 -6.840 45.990 1.00 0.00 O ATOM 1328 CB THR A 85 9.885 -7.186 44.186 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.398 -5.850 44.218 1.00 0.00 O ATOM 1330 CG2 THR A 85 10.758 -8.049 43.287 1.00 0.00 C ATOM 0 H THR A 85 8.931 -5.593 42.418 1.00 0.00 H new ATOM 0 HA THR A 85 8.134 -8.196 43.428 1.00 0.00 H new ATOM 0 HB THR A 85 9.902 -7.605 45.192 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.325 -5.863 44.535 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.783 -8.038 43.657 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.382 -9.072 43.289 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.735 -7.656 42.271 1.00 0.00 H new ATOM 1338 N ILE A 86 6.417 -6.042 44.429 1.00 0.00 N ATOM 1339 CA ILE A 86 5.470 -5.508 45.401 1.00 0.00 C ATOM 1340 C ILE A 86 4.038 -5.611 44.888 1.00 0.00 C ATOM 1341 O ILE A 86 3.749 -5.253 43.746 1.00 0.00 O ATOM 1342 CB ILE A 86 5.779 -4.037 45.738 1.00 0.00 C ATOM 1343 CG1 ILE A 86 7.243 -3.717 45.432 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.462 -3.750 47.198 1.00 0.00 C ATOM 1345 CD1 ILE A 86 7.658 -2.324 45.851 1.00 0.00 C ATOM 0 H ILE A 86 6.153 -5.891 43.455 1.00 0.00 H new ATOM 0 HA ILE A 86 5.573 -6.109 46.305 1.00 0.00 H new ATOM 0 HB ILE A 86 5.150 -3.398 45.118 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.879 -4.444 45.937 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.416 -3.832 44.362 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.686 -2.707 47.421 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.406 -3.943 47.386 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.067 -4.395 47.835 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.708 -2.167 45.603 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.048 -1.589 45.326 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.518 -2.211 46.926 1.00 0.00 H new ATOM 1357 N PHE A 87 3.144 -6.101 45.740 1.00 0.00 N ATOM 1358 CA PHE A 87 1.740 -6.250 45.373 1.00 0.00 C ATOM 1359 C PHE A 87 0.889 -6.567 46.599 1.00 0.00 C ATOM 1360 O PHE A 87 1.412 -6.794 47.690 1.00 0.00 O ATOM 1361 CB PHE A 87 1.580 -7.355 44.327 1.00 0.00 C ATOM 1362 CG PHE A 87 1.886 -6.905 42.927 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.198 -5.844 42.361 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.861 -7.543 42.178 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.477 -5.428 41.073 1.00 0.00 C ATOM 1366 CE2 PHE A 87 3.145 -7.131 40.890 1.00 0.00 C ATOM 1367 CZ PHE A 87 2.453 -6.072 40.337 1.00 0.00 C ATOM 0 H PHE A 87 3.366 -6.402 46.689 1.00 0.00 H new ATOM 0 HA PHE A 87 1.398 -5.306 44.949 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.237 -8.186 44.585 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.558 -7.733 44.363 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.435 -5.336 42.933 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.405 -8.372 42.606 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.933 -4.601 40.642 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.908 -7.637 40.316 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.674 -5.748 39.331 1.00 0.00 H new