USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 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 28 SER OG : rot 118:sc= 0.731 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -3.16 K(o=-2.4,f=-5.9!) USER MOD Set 1.3: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 CYS SG : rot -157:sc= -0.0105 USER MOD Set 2.2: A 17 CYS SG : rot 132:sc= -0.302 USER MOD Set 2.3: A 19 THR OG1 : rot 162:sc= 0 USER MOD Set 2.4: A 60 CYS SG : rot 60:sc= -2.41 USER MOD Set 2.5: A 63 HIS : no HE2:sc= -0.161 X(o=-2.9,f=-3) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.38 F(o=-2.6,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.48) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.0162 (180deg=-0.355) 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 HE2:sc= -2.14! C(o=-2.1!,f=-8.3!) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0.0868 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -139:sc= 0.0878 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc=-0.00867 (180deg=-0.22) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0183) USER MOD Single : A 85 THR OG1 : rot 58:sc= 0.769 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -6.485 1.810 32.563 1.00 0.00 N ATOM 112 CA ASN A 11 -6.477 1.351 33.947 1.00 0.00 C ATOM 113 C ASN A 11 -5.169 0.637 34.276 1.00 0.00 C ATOM 114 O ASN A 11 -4.300 0.483 33.417 1.00 0.00 O ATOM 115 CB ASN A 11 -7.660 0.414 34.202 1.00 0.00 C ATOM 116 CG ASN A 11 -8.688 1.023 35.135 1.00 0.00 C ATOM 117 OD1 ASN A 11 -8.338 1.133 36.411 1.00 0.00 O flip ATOM 118 ND2 ASN A 11 -9.785 1.391 34.713 1.00 0.00 N flip ATOM 0 HA ASN A 11 -6.567 2.224 34.594 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.136 0.167 33.253 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.295 -0.520 34.628 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.012 1.287 33.724 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.467 1.799 35.353 1.00 0.00 H new ATOM 125 N CYS A 12 -5.036 0.204 35.525 1.00 0.00 N ATOM 126 CA CYS A 12 -3.835 -0.494 35.969 1.00 0.00 C ATOM 127 C CYS A 12 -4.090 -1.993 36.090 1.00 0.00 C ATOM 128 O CYS A 12 -5.048 -2.420 36.734 1.00 0.00 O ATOM 129 CB CYS A 12 -3.363 0.065 37.312 1.00 0.00 C ATOM 130 SG CYS A 12 -1.886 -0.763 37.984 1.00 0.00 S ATOM 0 H CYS A 12 -5.745 0.324 36.248 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.056 -0.336 35.223 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.150 1.128 37.196 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.175 -0.020 38.034 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.835 -0.583 39.271 1.00 0.00 H new ATOM 135 N ALA A 13 -3.226 -2.787 35.467 1.00 0.00 N ATOM 136 CA ALA A 13 -3.356 -4.239 35.507 1.00 0.00 C ATOM 137 C ALA A 13 -3.443 -4.743 36.943 1.00 0.00 C ATOM 138 O ALA A 13 -4.306 -5.555 37.275 1.00 0.00 O ATOM 139 CB ALA A 13 -2.187 -4.893 34.786 1.00 0.00 C ATOM 0 H ALA A 13 -2.428 -2.450 34.928 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.281 -4.511 34.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.297 -5.977 34.824 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.172 -4.566 33.746 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.254 -4.606 35.271 1.00 0.00 H new ATOM 145 N ALA A 14 -2.544 -4.256 37.792 1.00 0.00 N ATOM 146 CA ALA A 14 -2.520 -4.656 39.193 1.00 0.00 C ATOM 147 C ALA A 14 -3.933 -4.844 39.734 1.00 0.00 C ATOM 148 O ALA A 14 -4.662 -3.874 39.943 1.00 0.00 O ATOM 149 CB ALA A 14 -1.767 -3.627 40.024 1.00 0.00 C ATOM 0 H ALA A 14 -1.822 -3.583 37.533 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.002 -5.612 39.263 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.757 -3.939 41.068 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.743 -3.545 39.660 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.261 -2.659 39.939 1.00 0.00 H new ATOM 155 N ALA A 15 -4.315 -6.097 39.958 1.00 0.00 N ATOM 156 CA ALA A 15 -5.641 -6.411 40.476 1.00 0.00 C ATOM 157 C ALA A 15 -5.954 -5.586 41.720 1.00 0.00 C ATOM 158 O ALA A 15 -7.051 -5.047 41.860 1.00 0.00 O ATOM 159 CB ALA A 15 -5.748 -7.897 40.785 1.00 0.00 C ATOM 0 H ALA A 15 -3.725 -6.911 39.789 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.373 -6.157 39.710 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.743 -8.118 41.171 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.576 -8.471 39.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.001 -8.168 41.531 1.00 0.00 H new ATOM 165 N GLY A 16 -4.982 -5.492 42.623 1.00 0.00 N ATOM 166 CA GLY A 16 -5.174 -4.732 43.844 1.00 0.00 C ATOM 167 C GLY A 16 -4.798 -3.272 43.683 1.00 0.00 C ATOM 168 O GLY A 16 -4.016 -2.735 44.469 1.00 0.00 O ATOM 0 H GLY A 16 -4.065 -5.929 42.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.217 -4.804 44.153 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.575 -5.173 44.641 1.00 0.00 H new ATOM 172 N CYS A 17 -5.353 -2.628 42.662 1.00 0.00 N ATOM 173 CA CYS A 17 -5.071 -1.223 42.399 1.00 0.00 C ATOM 174 C CYS A 17 -6.251 -0.552 41.702 1.00 0.00 C ATOM 175 O CYS A 17 -7.095 -1.220 41.106 1.00 0.00 O ATOM 176 CB CYS A 17 -3.812 -1.086 41.541 1.00 0.00 C ATOM 177 SG CYS A 17 -3.183 0.618 41.409 1.00 0.00 S ATOM 0 H CYS A 17 -6.002 -3.058 42.003 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.907 -0.726 43.355 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.030 -1.719 41.959 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.025 -1.462 40.540 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.904 0.628 41.642 1.00 0.00 H new ATOM 182 N ALA A 18 -6.301 0.774 41.781 1.00 0.00 N ATOM 183 CA ALA A 18 -7.375 1.536 41.156 1.00 0.00 C ATOM 184 C ALA A 18 -6.860 2.861 40.606 1.00 0.00 C ATOM 185 O ALA A 18 -7.550 3.880 40.663 1.00 0.00 O ATOM 186 CB ALA A 18 -8.500 1.777 42.151 1.00 0.00 C ATOM 0 H ALA A 18 -5.610 1.342 42.271 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.762 0.952 40.321 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.295 2.347 41.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.895 0.820 42.492 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.117 2.337 43.004 1.00 0.00 H new ATOM 192 N THR A 19 -5.642 2.843 40.073 1.00 0.00 N ATOM 193 CA THR A 19 -5.034 4.044 39.514 1.00 0.00 C ATOM 194 C THR A 19 -5.440 4.239 38.058 1.00 0.00 C ATOM 195 O THR A 19 -5.157 3.398 37.205 1.00 0.00 O ATOM 196 CB THR A 19 -3.497 3.988 39.604 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.065 4.445 40.891 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.860 4.841 38.517 1.00 0.00 C ATOM 0 H THR A 19 -5.057 2.009 40.017 1.00 0.00 H new ATOM 0 HA THR A 19 -5.395 4.886 40.104 1.00 0.00 H new ATOM 0 HB THR A 19 -3.184 2.954 39.462 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.149 4.139 41.056 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.775 4.786 38.601 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.168 4.473 37.538 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.181 5.876 38.632 1.00 0.00 H new ATOM 206 N THR A 20 -6.104 5.356 37.779 1.00 0.00 N ATOM 207 CA THR A 20 -6.550 5.663 36.425 1.00 0.00 C ATOM 208 C THR A 20 -6.174 7.086 36.032 1.00 0.00 C ATOM 209 O THR A 20 -5.275 7.299 35.217 1.00 0.00 O ATOM 210 CB THR A 20 -8.073 5.488 36.282 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.747 6.174 37.344 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.453 4.015 36.302 1.00 0.00 C ATOM 0 H THR A 20 -6.345 6.064 38.473 1.00 0.00 H new ATOM 0 HA THR A 20 -6.047 4.961 35.760 1.00 0.00 H new ATOM 0 HB THR A 20 -8.377 5.912 35.325 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.715 6.059 37.245 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.534 3.917 36.200 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.962 3.501 35.476 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.136 3.570 37.245 1.00 0.00 H new ATOM 220 N TYR A 21 -6.866 8.059 36.616 1.00 0.00 N ATOM 221 CA TYR A 21 -6.605 9.463 36.324 1.00 0.00 C ATOM 222 C TYR A 21 -7.177 10.361 37.417 1.00 0.00 C ATOM 223 O TYR A 21 -8.362 10.691 37.408 1.00 0.00 O ATOM 224 CB TYR A 21 -7.205 9.845 34.970 1.00 0.00 C ATOM 225 CG TYR A 21 -6.175 10.284 33.954 1.00 0.00 C ATOM 226 CD1 TYR A 21 -5.529 11.508 34.075 1.00 0.00 C ATOM 227 CD2 TYR A 21 -5.847 9.474 32.873 1.00 0.00 C ATOM 228 CE1 TYR A 21 -4.588 11.913 33.148 1.00 0.00 C ATOM 229 CE2 TYR A 21 -4.907 9.871 31.942 1.00 0.00 C ATOM 230 CZ TYR A 21 -4.280 11.091 32.084 1.00 0.00 C ATOM 231 OH TYR A 21 -3.342 11.491 31.160 1.00 0.00 O ATOM 0 H TYR A 21 -7.611 7.901 37.294 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.525 9.606 36.288 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.755 8.992 34.572 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.926 10.650 35.115 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.766 12.154 34.908 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.336 8.518 32.759 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.096 12.868 33.256 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.664 9.230 31.108 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.241 10.797 30.475 1.00 0.00 H new ATOM 241 N ASN A 22 -6.323 10.754 38.357 1.00 0.00 N ATOM 242 CA ASN A 22 -6.742 11.615 39.458 1.00 0.00 C ATOM 243 C ASN A 22 -6.364 13.068 39.186 1.00 0.00 C ATOM 244 O ASN A 22 -6.230 13.870 40.111 1.00 0.00 O ATOM 245 CB ASN A 22 -6.106 11.147 40.768 1.00 0.00 C ATOM 246 CG ASN A 22 -7.127 10.581 41.736 1.00 0.00 C ATOM 247 OD1 ASN A 22 -8.084 9.921 41.331 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.926 10.836 43.024 1.00 0.00 N ATOM 0 H ASN A 22 -5.338 10.490 38.379 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.827 11.551 39.545 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.354 10.388 40.553 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.589 11.984 41.237 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.579 10.480 43.722 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.119 11.388 43.315 1.00 0.00 H new ATOM 313 N ASN A 26 0.470 12.102 38.564 1.00 0.00 N ATOM 314 CA ASN A 26 1.233 12.119 37.322 1.00 0.00 C ATOM 315 C ASN A 26 2.054 10.842 37.169 1.00 0.00 C ATOM 316 O ASN A 26 3.008 10.794 36.393 1.00 0.00 O ATOM 317 CB ASN A 26 2.156 13.339 37.283 1.00 0.00 C ATOM 318 CG ASN A 26 1.874 14.240 36.096 1.00 0.00 C ATOM 319 OD1 ASN A 26 2.692 14.357 35.184 1.00 0.00 O ATOM 320 ND2 ASN A 26 0.712 14.882 36.104 1.00 0.00 N ATOM 0 HA ASN A 26 0.528 12.178 36.493 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.039 13.909 38.204 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.193 13.005 37.244 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.467 15.503 35.333 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.064 14.755 36.882 1.00 0.00 H new ATOM 327 N ILE A 27 1.674 9.809 37.914 1.00 0.00 N ATOM 328 CA ILE A 27 2.373 8.531 37.861 1.00 0.00 C ATOM 329 C ILE A 27 2.703 8.145 36.423 1.00 0.00 C ATOM 330 O ILE A 27 1.855 8.235 35.535 1.00 0.00 O ATOM 331 CB ILE A 27 1.541 7.407 38.505 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.963 7.200 39.961 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.694 6.115 37.715 1.00 0.00 C ATOM 334 CD1 ILE A 27 1.053 6.265 40.727 1.00 0.00 C ATOM 0 H ILE A 27 0.886 9.832 38.561 1.00 0.00 H new ATOM 0 HA ILE A 27 3.299 8.654 38.423 1.00 0.00 H new ATOM 0 HB ILE A 27 0.491 7.698 38.489 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.979 6.805 39.984 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.985 8.166 40.465 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.100 5.330 38.183 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.349 6.271 36.693 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.743 5.818 37.703 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.413 6.165 41.751 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.041 6.669 40.736 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.049 5.286 40.247 1.00 0.00 H new ATOM 346 N SER A 28 3.940 7.713 36.201 1.00 0.00 N ATOM 347 CA SER A 28 4.383 7.314 34.870 1.00 0.00 C ATOM 348 C SER A 28 3.844 5.933 34.509 1.00 0.00 C ATOM 349 O SER A 28 3.555 5.118 35.386 1.00 0.00 O ATOM 350 CB SER A 28 5.911 7.313 34.797 1.00 0.00 C ATOM 351 OG SER A 28 6.478 6.783 35.983 1.00 0.00 O ATOM 0 H SER A 28 4.653 7.630 36.925 1.00 0.00 H new ATOM 0 HA SER A 28 3.993 8.036 34.153 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.237 6.724 33.940 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.271 8.330 34.641 1.00 0.00 H new ATOM 0 HG SER A 28 6.994 5.978 35.768 1.00 0.00 H new ATOM 357 N PHE A 29 3.711 5.677 33.212 1.00 0.00 N ATOM 358 CA PHE A 29 3.206 4.395 32.733 1.00 0.00 C ATOM 359 C PHE A 29 4.346 3.518 32.222 1.00 0.00 C ATOM 360 O PHE A 29 4.981 3.832 31.215 1.00 0.00 O ATOM 361 CB PHE A 29 2.176 4.612 31.623 1.00 0.00 C ATOM 362 CG PHE A 29 2.761 5.196 30.369 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.283 4.374 29.383 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.789 6.568 30.176 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.821 4.908 28.228 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.325 7.108 29.022 1.00 0.00 C ATOM 367 CZ PHE A 29 3.843 6.278 28.048 1.00 0.00 C ATOM 0 H PHE A 29 3.946 6.340 32.473 1.00 0.00 H new ATOM 0 HA PHE A 29 2.727 3.886 33.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.704 3.659 31.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.391 5.273 31.991 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.269 3.303 29.519 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.388 7.222 30.936 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.224 4.256 27.467 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.339 8.179 28.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.265 6.699 27.147 1.00 0.00 H new ATOM 377 N HIS A 30 4.599 2.418 32.924 1.00 0.00 N ATOM 378 CA HIS A 30 5.661 1.495 32.542 1.00 0.00 C ATOM 379 C HIS A 30 5.081 0.177 32.038 1.00 0.00 C ATOM 380 O HIS A 30 4.630 -0.655 32.826 1.00 0.00 O ATOM 381 CB HIS A 30 6.591 1.236 33.728 1.00 0.00 C ATOM 382 CG HIS A 30 7.336 2.453 34.183 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.524 2.864 33.617 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.053 3.352 35.155 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.941 3.961 34.222 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.066 4.279 35.159 1.00 0.00 N ATOM 0 H HIS A 30 4.083 2.144 33.760 1.00 0.00 H new ATOM 0 HA HIS A 30 6.233 1.952 31.734 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.005 0.847 34.560 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.308 0.462 33.454 1.00 0.00 H new ATOM 0 HD1 HIS A 30 9.006 2.394 32.851 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.191 3.342 35.806 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.844 4.506 33.990 1.00 0.00 H new ATOM 394 N ARG A 31 5.095 -0.005 30.722 1.00 0.00 N ATOM 395 CA ARG A 31 4.568 -1.220 30.113 1.00 0.00 C ATOM 396 C ARG A 31 5.307 -2.451 30.629 1.00 0.00 C ATOM 397 O ARG A 31 6.332 -2.336 31.302 1.00 0.00 O ATOM 398 CB ARG A 31 4.683 -1.144 28.590 1.00 0.00 C ATOM 399 CG ARG A 31 6.101 -0.903 28.097 1.00 0.00 C ATOM 400 CD ARG A 31 6.111 -0.216 26.741 1.00 0.00 C ATOM 401 NE ARG A 31 7.453 0.210 26.353 1.00 0.00 N ATOM 402 CZ ARG A 31 7.822 0.422 25.095 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.953 0.248 24.108 1.00 0.00 N ATOM 404 NH2 ARG A 31 9.061 0.809 24.822 1.00 0.00 N ATOM 0 H ARG A 31 5.466 0.674 30.057 1.00 0.00 H new ATOM 0 HA ARG A 31 3.517 -1.307 30.387 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.311 -2.074 28.159 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.040 -0.343 28.225 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.639 -0.290 28.820 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.630 -1.854 28.028 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.715 -0.896 25.987 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.450 0.650 26.768 1.00 0.00 H new ATOM 0 HE ARG A 31 8.145 0.353 27.089 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.999 -0.049 24.315 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.238 0.411 23.142 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.732 0.944 25.579 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.343 0.971 23.855 1.00 0.00 H new ATOM 418 N PHE A 32 4.780 -3.628 30.310 1.00 0.00 N ATOM 419 CA PHE A 32 5.389 -4.881 30.743 1.00 0.00 C ATOM 420 C PHE A 32 6.707 -5.126 30.013 1.00 0.00 C ATOM 421 O PHE A 32 6.948 -4.606 28.923 1.00 0.00 O ATOM 422 CB PHE A 32 4.432 -6.049 30.496 1.00 0.00 C ATOM 423 CG PHE A 32 3.321 -6.138 31.503 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.560 -5.023 31.814 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.040 -7.336 32.140 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.537 -5.101 32.740 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.018 -7.420 33.067 1.00 0.00 C ATOM 428 CZ PHE A 32 1.266 -6.301 33.368 1.00 0.00 C ATOM 0 H PHE A 32 3.933 -3.741 29.753 1.00 0.00 H new ATOM 0 HA PHE A 32 5.594 -4.807 31.811 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.001 -5.951 29.500 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.998 -6.981 30.508 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.769 -4.082 31.327 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.626 -8.214 31.910 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.950 -4.225 32.972 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.808 -8.360 33.556 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.468 -6.364 34.093 1.00 0.00 H new ATOM 438 N PRO A 33 7.581 -5.935 30.629 1.00 0.00 N ATOM 439 CA PRO A 33 8.890 -6.267 30.057 1.00 0.00 C ATOM 440 C PRO A 33 8.775 -7.163 28.829 1.00 0.00 C ATOM 441 O PRO A 33 7.977 -8.102 28.805 1.00 0.00 O ATOM 442 CB PRO A 33 9.596 -7.008 31.196 1.00 0.00 C ATOM 443 CG PRO A 33 8.493 -7.573 32.022 1.00 0.00 C ATOM 444 CD PRO A 33 7.360 -6.588 31.930 1.00 0.00 C ATOM 0 HA PRO A 33 9.422 -5.380 29.713 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.247 -7.794 30.813 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.222 -6.333 31.780 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.190 -8.552 31.651 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.810 -7.708 33.056 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.391 -7.085 31.971 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.384 -5.870 32.750 1.00 0.00 H new ATOM 452 N LEU A 34 9.576 -6.869 27.811 1.00 0.00 N ATOM 453 CA LEU A 34 9.565 -7.650 26.579 1.00 0.00 C ATOM 454 C LEU A 34 10.291 -8.978 26.768 1.00 0.00 C ATOM 455 O LEU A 34 10.219 -9.863 25.916 1.00 0.00 O ATOM 456 CB LEU A 34 10.217 -6.857 25.444 1.00 0.00 C ATOM 457 CG LEU A 34 9.555 -5.524 25.090 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.092 -5.528 25.507 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.296 -4.370 25.748 1.00 0.00 C ATOM 0 H LEU A 34 10.241 -6.096 27.814 1.00 0.00 H new ATOM 0 HA LEU A 34 8.527 -7.859 26.320 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.256 -6.664 25.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.229 -7.482 24.551 1.00 0.00 H new ATOM 0 HG LEU A 34 9.603 -5.391 24.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.637 -4.572 25.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.568 -6.332 24.989 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.021 -5.683 26.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.811 -3.430 25.485 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.279 -4.497 26.830 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.329 -4.355 25.400 1.00 0.00 H new ATOM 471 N ASP A 35 10.989 -9.110 27.891 1.00 0.00 N ATOM 472 CA ASP A 35 11.725 -10.331 28.195 1.00 0.00 C ATOM 473 C ASP A 35 10.803 -11.386 28.797 1.00 0.00 C ATOM 474 O ASP A 35 9.855 -11.078 29.520 1.00 0.00 O ATOM 475 CB ASP A 35 12.876 -10.032 29.157 1.00 0.00 C ATOM 476 CG ASP A 35 14.221 -10.455 28.599 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.407 -10.368 27.367 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.088 -10.872 29.395 1.00 0.00 O ATOM 0 H ASP A 35 11.060 -8.386 28.606 1.00 0.00 H new ATOM 0 HA ASP A 35 12.133 -10.721 27.263 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.896 -8.964 29.375 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.699 -10.547 30.101 1.00 0.00 H new ATOM 483 N PRO A 36 11.085 -12.662 28.494 1.00 0.00 N ATOM 484 CA PRO A 36 10.292 -13.789 28.995 1.00 0.00 C ATOM 485 C PRO A 36 10.472 -14.003 30.494 1.00 0.00 C ATOM 486 O PRO A 36 9.520 -14.327 31.205 1.00 0.00 O ATOM 487 CB PRO A 36 10.843 -14.985 28.215 1.00 0.00 C ATOM 488 CG PRO A 36 12.232 -14.591 27.849 1.00 0.00 C ATOM 489 CD PRO A 36 12.200 -13.103 27.639 1.00 0.00 C ATOM 0 HA PRO A 36 9.223 -13.628 28.857 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.835 -15.891 28.821 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.243 -15.190 27.328 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.934 -14.858 28.639 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.558 -15.106 26.945 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.140 -12.636 27.932 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.029 -12.848 26.593 1.00 0.00 H new ATOM 497 N LYS A 37 11.699 -13.818 30.971 1.00 0.00 N ATOM 498 CA LYS A 37 12.005 -13.989 32.386 1.00 0.00 C ATOM 499 C LYS A 37 11.155 -13.056 33.243 1.00 0.00 C ATOM 500 O LYS A 37 10.597 -13.467 34.260 1.00 0.00 O ATOM 501 CB LYS A 37 13.490 -13.726 32.644 1.00 0.00 C ATOM 502 CG LYS A 37 14.411 -14.737 31.983 1.00 0.00 C ATOM 503 CD LYS A 37 15.524 -14.053 31.207 1.00 0.00 C ATOM 504 CE LYS A 37 16.653 -13.610 32.124 1.00 0.00 C ATOM 505 NZ LYS A 37 16.366 -12.294 32.760 1.00 0.00 N ATOM 0 H LYS A 37 12.498 -13.549 30.397 1.00 0.00 H new ATOM 0 HA LYS A 37 11.773 -15.018 32.660 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.741 -12.728 32.284 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.670 -13.732 33.719 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.843 -15.388 32.743 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.834 -15.371 31.310 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.914 -14.735 30.451 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.122 -13.188 30.679 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.808 -14.361 32.898 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.580 -13.544 31.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.248 -11.891 33.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.964 -11.647 32.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.685 -12.424 33.536 1.00 0.00 H new ATOM 519 N ARG A 38 11.061 -11.798 32.824 1.00 0.00 N ATOM 520 CA ARG A 38 10.279 -10.806 33.553 1.00 0.00 C ATOM 521 C ARG A 38 8.803 -10.895 33.177 1.00 0.00 C ATOM 522 O ARG A 38 7.934 -10.967 34.046 1.00 0.00 O ATOM 523 CB ARG A 38 10.806 -9.399 33.266 1.00 0.00 C ATOM 524 CG ARG A 38 12.312 -9.268 33.429 1.00 0.00 C ATOM 525 CD ARG A 38 12.740 -9.514 34.867 1.00 0.00 C ATOM 526 NE ARG A 38 14.192 -9.472 35.021 1.00 0.00 N ATOM 527 CZ ARG A 38 14.820 -9.776 36.151 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.128 -10.142 37.221 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.144 -9.715 36.213 1.00 0.00 N ATOM 0 H ARG A 38 11.516 -11.442 31.984 1.00 0.00 H new ATOM 0 HA ARG A 38 10.378 -11.013 34.619 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.533 -9.118 32.249 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.314 -8.692 33.934 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.813 -9.979 32.772 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.627 -8.271 33.120 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.285 -8.764 35.514 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.369 -10.485 35.195 1.00 0.00 H new ATOM 0 HE ARG A 38 14.754 -9.194 34.217 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.110 -10.191 37.178 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.614 -10.375 38.087 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.681 -9.434 35.392 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.625 -9.949 37.081 1.00 0.00 H new ATOM 543 N ARG A 39 8.527 -10.887 31.877 1.00 0.00 N ATOM 544 CA ARG A 39 7.157 -10.964 31.386 1.00 0.00 C ATOM 545 C ARG A 39 6.324 -11.911 32.245 1.00 0.00 C ATOM 546 O ARG A 39 5.275 -11.534 32.768 1.00 0.00 O ATOM 547 CB ARG A 39 7.139 -11.431 29.930 1.00 0.00 C ATOM 548 CG ARG A 39 5.741 -11.668 29.382 1.00 0.00 C ATOM 549 CD ARG A 39 5.633 -13.019 28.695 1.00 0.00 C ATOM 550 NE ARG A 39 5.905 -12.928 27.262 1.00 0.00 N ATOM 551 CZ ARG A 39 5.587 -13.880 26.392 1.00 0.00 C ATOM 552 NH1 ARG A 39 4.989 -14.989 26.806 1.00 0.00 N ATOM 553 NH2 ARG A 39 5.866 -13.723 25.104 1.00 0.00 N ATOM 0 H ARG A 39 9.235 -10.828 31.145 1.00 0.00 H new ATOM 0 HA ARG A 39 6.720 -9.967 31.446 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.640 -10.686 29.312 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.714 -12.353 29.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.017 -11.613 30.195 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.488 -10.878 28.675 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.334 -13.716 29.154 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.633 -13.425 28.849 1.00 0.00 H new ATOM 0 HE ARG A 39 6.364 -12.088 26.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.772 -15.113 27.795 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.746 -15.718 26.135 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.325 -12.871 24.782 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.622 -14.454 24.436 1.00 0.00 H new ATOM 567 N LYS A 40 6.798 -13.145 32.387 1.00 0.00 N ATOM 568 CA LYS A 40 6.100 -14.147 33.182 1.00 0.00 C ATOM 569 C LYS A 40 6.020 -13.722 34.645 1.00 0.00 C ATOM 570 O LYS A 40 5.037 -14.003 35.329 1.00 0.00 O ATOM 571 CB LYS A 40 6.807 -15.500 33.071 1.00 0.00 C ATOM 572 CG LYS A 40 6.865 -16.040 31.653 1.00 0.00 C ATOM 573 CD LYS A 40 5.654 -15.611 30.842 1.00 0.00 C ATOM 574 CE LYS A 40 4.370 -16.200 31.404 1.00 0.00 C ATOM 575 NZ LYS A 40 3.662 -17.045 30.403 1.00 0.00 N ATOM 0 H LYS A 40 7.664 -13.474 31.961 1.00 0.00 H new ATOM 0 HA LYS A 40 5.086 -14.241 32.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.822 -15.403 33.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.293 -16.222 33.705 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.774 -15.687 31.165 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.919 -17.128 31.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.585 -14.523 30.837 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.778 -15.927 29.806 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.600 -16.798 32.286 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.712 -15.394 31.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.792 -17.428 30.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.419 -16.469 29.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.280 -17.829 30.112 1.00 0.00 H new ATOM 589 N GLU A 41 7.061 -13.042 35.117 1.00 0.00 N ATOM 590 CA GLU A 41 7.106 -12.578 36.498 1.00 0.00 C ATOM 591 C GLU A 41 6.047 -11.509 36.749 1.00 0.00 C ATOM 592 O GLU A 41 5.169 -11.676 37.596 1.00 0.00 O ATOM 593 CB GLU A 41 8.494 -12.023 36.828 1.00 0.00 C ATOM 594 CG GLU A 41 9.496 -13.092 37.232 1.00 0.00 C ATOM 595 CD GLU A 41 9.005 -14.495 36.934 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.795 -14.810 35.745 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.832 -15.278 37.892 1.00 0.00 O ATOM 0 H GLU A 41 7.883 -12.801 34.563 1.00 0.00 H new ATOM 0 HA GLU A 41 6.898 -13.429 37.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.878 -11.487 35.960 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.403 -11.298 37.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.436 -12.921 36.707 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.706 -13.003 38.298 1.00 0.00 H new ATOM 604 N TRP A 42 6.136 -10.411 36.007 1.00 0.00 N ATOM 605 CA TRP A 42 5.186 -9.314 36.148 1.00 0.00 C ATOM 606 C TRP A 42 3.758 -9.839 36.247 1.00 0.00 C ATOM 607 O TRP A 42 2.980 -9.395 37.092 1.00 0.00 O ATOM 608 CB TRP A 42 5.307 -8.351 34.965 1.00 0.00 C ATOM 609 CG TRP A 42 6.496 -7.444 35.057 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.796 -7.813 35.255 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.494 -6.015 34.957 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.602 -6.701 35.283 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.828 -5.586 35.103 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.496 -5.058 34.757 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.185 -4.241 35.055 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.853 -3.724 34.711 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.188 -3.325 34.858 1.00 0.00 C ATOM 0 H TRP A 42 6.856 -10.257 35.302 1.00 0.00 H new ATOM 0 HA TRP A 42 5.421 -8.780 37.068 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.369 -8.927 34.042 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.402 -7.747 34.904 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.140 -8.830 35.372 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.613 -6.705 35.416 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.464 -5.355 34.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.213 -3.932 35.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.089 -2.976 34.559 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.435 -2.274 34.815 1.00 0.00 H new ATOM 628 N VAL A 43 3.420 -10.788 35.380 1.00 0.00 N ATOM 629 CA VAL A 43 2.085 -11.375 35.372 1.00 0.00 C ATOM 630 C VAL A 43 1.889 -12.312 36.559 1.00 0.00 C ATOM 631 O VAL A 43 0.793 -12.410 37.111 1.00 0.00 O ATOM 632 CB VAL A 43 1.823 -12.154 34.069 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.412 -12.723 34.062 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.054 -11.262 32.860 1.00 0.00 C ATOM 0 H VAL A 43 4.052 -11.167 34.674 1.00 0.00 H new ATOM 0 HA VAL A 43 1.376 -10.550 35.443 1.00 0.00 H new ATOM 0 HB VAL A 43 2.525 -12.987 34.016 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.245 -13.270 33.134 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.288 -13.398 34.909 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.309 -11.909 34.138 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.864 -11.829 31.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.378 -10.408 32.904 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.085 -10.909 32.860 1.00 0.00 H new ATOM 644 N ARG A 44 2.959 -12.997 36.948 1.00 0.00 N ATOM 645 CA ARG A 44 2.905 -13.927 38.070 1.00 0.00 C ATOM 646 C ARG A 44 2.811 -13.175 39.394 1.00 0.00 C ATOM 647 O ARG A 44 2.339 -13.716 40.395 1.00 0.00 O ATOM 648 CB ARG A 44 4.139 -14.831 38.071 1.00 0.00 C ATOM 649 CG ARG A 44 4.677 -15.125 39.461 1.00 0.00 C ATOM 650 CD ARG A 44 3.693 -15.950 40.277 1.00 0.00 C ATOM 651 NE ARG A 44 3.558 -15.449 41.642 1.00 0.00 N ATOM 652 CZ ARG A 44 4.455 -15.668 42.597 1.00 0.00 C ATOM 653 NH1 ARG A 44 5.546 -16.375 42.338 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.261 -15.178 43.815 1.00 0.00 N ATOM 0 H ARG A 44 3.874 -12.926 36.503 1.00 0.00 H new ATOM 0 HA ARG A 44 2.013 -14.543 37.957 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.890 -15.772 37.580 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.924 -14.361 37.479 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.623 -15.660 39.380 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.884 -14.188 39.978 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.718 -15.939 39.789 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.025 -16.988 40.303 1.00 0.00 H new ATOM 0 HE ARG A 44 2.730 -14.901 41.875 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.699 -16.753 41.403 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.233 -16.541 43.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.423 -14.633 44.018 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.950 -15.346 44.548 1.00 0.00 H new ATOM 668 N LEU A 45 3.262 -11.926 39.393 1.00 0.00 N ATOM 669 CA LEU A 45 3.230 -11.099 40.594 1.00 0.00 C ATOM 670 C LEU A 45 1.880 -10.404 40.741 1.00 0.00 C ATOM 671 O LEU A 45 1.246 -10.471 41.794 1.00 0.00 O ATOM 672 CB LEU A 45 4.350 -10.059 40.552 1.00 0.00 C ATOM 673 CG LEU A 45 5.760 -10.578 40.835 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.782 -9.839 39.986 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.092 -10.441 42.314 1.00 0.00 C ATOM 0 H LEU A 45 3.655 -11.463 38.573 1.00 0.00 H new ATOM 0 HA LEU A 45 3.379 -11.749 41.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.348 -9.592 39.567 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.120 -9.278 41.276 1.00 0.00 H new ATOM 0 HG LEU A 45 5.797 -11.635 40.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.779 -10.222 40.201 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.555 -9.990 38.931 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.745 -8.774 40.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.099 -10.815 42.497 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.037 -9.392 42.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.378 -11.018 42.902 1.00 0.00 H new ATOM 687 N VAL A 46 1.445 -9.738 39.676 1.00 0.00 N ATOM 688 CA VAL A 46 0.168 -9.033 39.684 1.00 0.00 C ATOM 689 C VAL A 46 -0.979 -9.978 40.025 1.00 0.00 C ATOM 690 O VAL A 46 -1.957 -9.580 40.658 1.00 0.00 O ATOM 691 CB VAL A 46 -0.115 -8.369 38.324 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.075 -9.368 37.192 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.519 -7.784 38.299 1.00 0.00 C ATOM 0 H VAL A 46 1.958 -9.672 38.797 1.00 0.00 H new ATOM 0 HA VAL A 46 0.238 -8.260 40.449 1.00 0.00 H new ATOM 0 HB VAL A 46 0.596 -7.555 38.182 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.129 -8.881 36.239 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.101 -9.735 37.199 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.611 -10.205 37.326 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.702 -7.319 37.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.247 -8.578 38.463 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.615 -7.035 39.085 1.00 0.00 H new ATOM 703 N ARG A 47 -0.852 -11.231 39.600 1.00 0.00 N ATOM 704 CA ARG A 47 -1.879 -12.233 39.859 1.00 0.00 C ATOM 705 C ARG A 47 -3.260 -11.707 39.480 1.00 0.00 C ATOM 706 O ARG A 47 -4.097 -11.449 40.346 1.00 0.00 O ATOM 707 CB ARG A 47 -1.864 -12.640 41.334 1.00 0.00 C ATOM 708 CG ARG A 47 -0.834 -13.709 41.660 1.00 0.00 C ATOM 709 CD ARG A 47 -1.480 -15.078 41.808 1.00 0.00 C ATOM 710 NE ARG A 47 -2.194 -15.212 43.074 1.00 0.00 N ATOM 711 CZ ARG A 47 -1.590 -15.276 44.256 1.00 0.00 C ATOM 712 NH1 ARG A 47 -0.268 -15.217 44.332 1.00 0.00 N ATOM 713 NH2 ARG A 47 -2.309 -15.398 45.364 1.00 0.00 N ATOM 0 H ARG A 47 -0.048 -11.576 39.075 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.661 -13.107 39.245 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.666 -11.758 41.943 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.853 -13.004 41.612 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.082 -13.744 40.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.317 -13.448 42.583 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.172 -15.243 40.982 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.713 -15.850 41.741 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.213 -15.259 43.050 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.288 -15.122 43.482 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.193 -15.266 45.240 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.327 -15.443 45.309 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.844 -15.447 46.271 1.00 0.00 H new ATOM 727 N ARG A 48 -3.492 -11.549 38.181 1.00 0.00 N ATOM 728 CA ARG A 48 -4.770 -11.053 37.687 1.00 0.00 C ATOM 729 C ARG A 48 -5.730 -12.205 37.409 1.00 0.00 C ATOM 730 O ARG A 48 -6.831 -12.257 37.957 1.00 0.00 O ATOM 731 CB ARG A 48 -4.564 -10.227 36.416 1.00 0.00 C ATOM 732 CG ARG A 48 -4.705 -8.730 36.632 1.00 0.00 C ATOM 733 CD ARG A 48 -6.166 -8.312 36.703 1.00 0.00 C ATOM 734 NE ARG A 48 -6.890 -8.646 35.479 1.00 0.00 N ATOM 735 CZ ARG A 48 -6.828 -7.921 34.368 1.00 0.00 C ATOM 736 NH1 ARG A 48 -6.079 -6.828 34.326 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.517 -8.290 33.295 1.00 0.00 N ATOM 0 H ARG A 48 -2.811 -11.758 37.451 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.207 -10.418 38.458 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.572 -10.436 36.014 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.286 -10.546 35.664 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.199 -8.445 37.554 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.212 -8.196 35.820 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.643 -8.802 37.552 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.228 -7.238 36.879 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.475 -9.482 35.478 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.548 -6.542 35.149 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.034 -6.273 33.471 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.094 -9.130 33.324 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.469 -7.733 32.442 1.00 0.00 H new ATOM 751 N LYS A 49 -5.306 -13.128 36.551 1.00 0.00 N ATOM 752 CA LYS A 49 -6.127 -14.280 36.199 1.00 0.00 C ATOM 753 C LYS A 49 -5.559 -15.000 34.979 1.00 0.00 C ATOM 754 O LYS A 49 -6.096 -14.890 33.878 1.00 0.00 O ATOM 755 CB LYS A 49 -7.566 -13.842 35.922 1.00 0.00 C ATOM 756 CG LYS A 49 -8.518 -14.116 37.074 1.00 0.00 C ATOM 757 CD LYS A 49 -9.689 -14.979 36.638 1.00 0.00 C ATOM 758 CE LYS A 49 -9.231 -16.366 36.213 1.00 0.00 C ATOM 759 NZ LYS A 49 -9.889 -17.437 37.012 1.00 0.00 N ATOM 0 H LYS A 49 -4.398 -13.100 36.087 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.121 -14.970 37.042 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.576 -12.775 35.700 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.928 -14.356 35.032 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.980 -14.613 37.881 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.889 -13.172 37.472 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.403 -15.065 37.457 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.209 -14.497 35.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.453 -16.513 35.156 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.149 -16.442 36.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.550 -18.367 36.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.657 -17.312 38.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.920 -17.381 36.885 1.00 0.00 H new ATOM 773 N ASN A 50 -4.472 -15.736 35.185 1.00 0.00 N ATOM 774 CA ASN A 50 -3.833 -16.474 34.101 1.00 0.00 C ATOM 775 C ASN A 50 -3.857 -15.668 32.806 1.00 0.00 C ATOM 776 O ASN A 50 -4.070 -16.217 31.724 1.00 0.00 O ATOM 777 CB ASN A 50 -4.531 -17.819 33.891 1.00 0.00 C ATOM 778 CG ASN A 50 -4.942 -18.468 35.199 1.00 0.00 C ATOM 779 OD1 ASN A 50 -4.098 -18.925 35.970 1.00 0.00 O ATOM 780 ND2 ASN A 50 -6.244 -18.510 35.455 1.00 0.00 N ATOM 0 H ASN A 50 -4.015 -15.837 36.091 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.794 -16.651 34.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.413 -17.674 33.268 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.865 -18.490 33.349 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.580 -18.934 36.320 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.908 -18.119 34.787 1.00 0.00 H new ATOM 787 N PHE A 51 -3.637 -14.363 32.923 1.00 0.00 N ATOM 788 CA PHE A 51 -3.634 -13.480 31.762 1.00 0.00 C ATOM 789 C PHE A 51 -2.217 -13.286 31.231 1.00 0.00 C ATOM 790 O PHE A 51 -1.250 -13.777 31.814 1.00 0.00 O ATOM 791 CB PHE A 51 -4.246 -12.125 32.123 1.00 0.00 C ATOM 792 CG PHE A 51 -3.225 -11.048 32.352 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.677 -10.850 33.609 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.813 -10.233 31.309 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.738 -9.859 33.822 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.874 -9.241 31.516 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.335 -9.054 32.774 1.00 0.00 C ATOM 0 H PHE A 51 -3.458 -13.893 33.810 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.236 -13.945 30.981 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.917 -11.814 31.323 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.852 -12.237 33.022 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.987 -11.477 34.432 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.231 -10.375 30.323 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.319 -9.714 34.807 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.562 -8.612 30.695 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.600 -8.280 32.938 1.00 0.00 H new ATOM 807 N VAL A 52 -2.101 -12.565 30.120 1.00 0.00 N ATOM 808 CA VAL A 52 -0.803 -12.304 29.509 1.00 0.00 C ATOM 809 C VAL A 52 -0.790 -10.954 28.802 1.00 0.00 C ATOM 810 O VAL A 52 -1.798 -10.500 28.259 1.00 0.00 O ATOM 811 CB VAL A 52 -0.427 -13.405 28.499 1.00 0.00 C ATOM 812 CG1 VAL A 52 0.052 -12.789 27.193 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.634 -14.325 29.085 1.00 0.00 C ATOM 0 H VAL A 52 -2.891 -12.151 29.625 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.069 -12.295 30.315 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.315 -14.001 28.288 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.313 -13.581 26.491 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.742 -12.175 26.768 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.928 -12.169 27.383 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.888 -15.097 28.358 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.525 -13.746 29.325 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.250 -14.792 29.992 1.00 0.00 H new ATOM 823 N PRO A 53 0.378 -10.295 28.805 1.00 0.00 N ATOM 824 CA PRO A 53 0.551 -8.987 28.167 1.00 0.00 C ATOM 825 C PRO A 53 0.492 -9.072 26.645 1.00 0.00 C ATOM 826 O PRO A 53 0.554 -10.159 26.072 1.00 0.00 O ATOM 827 CB PRO A 53 1.945 -8.551 28.624 1.00 0.00 C ATOM 828 CG PRO A 53 2.663 -9.823 28.918 1.00 0.00 C ATOM 829 CD PRO A 53 1.620 -10.777 29.433 1.00 0.00 C ATOM 0 HA PRO A 53 -0.241 -8.291 28.444 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.455 -7.979 27.849 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.891 -7.914 29.507 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.143 -10.216 28.022 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.448 -9.666 29.658 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.841 -11.806 29.149 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.556 -10.753 30.521 1.00 0.00 H new ATOM 837 N GLY A 54 0.372 -7.918 25.997 1.00 0.00 N ATOM 838 CA GLY A 54 0.307 -7.885 24.547 1.00 0.00 C ATOM 839 C GLY A 54 -0.739 -6.914 24.036 1.00 0.00 C ATOM 840 O GLY A 54 -1.411 -7.181 23.039 1.00 0.00 O ATOM 0 H GLY A 54 0.319 -7.005 26.449 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.283 -7.606 24.149 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.084 -8.884 24.173 1.00 0.00 H new ATOM 844 N LYS A 55 -0.880 -5.784 24.720 1.00 0.00 N ATOM 845 CA LYS A 55 -1.851 -4.769 24.331 1.00 0.00 C ATOM 846 C LYS A 55 -1.463 -3.402 24.888 1.00 0.00 C ATOM 847 O LYS A 55 -0.698 -2.663 24.268 1.00 0.00 O ATOM 848 CB LYS A 55 -3.248 -5.154 24.824 1.00 0.00 C ATOM 849 CG LYS A 55 -4.081 -5.880 23.782 1.00 0.00 C ATOM 850 CD LYS A 55 -5.489 -5.315 23.701 1.00 0.00 C ATOM 851 CE LYS A 55 -5.504 -3.951 23.027 1.00 0.00 C ATOM 852 NZ LYS A 55 -5.868 -4.049 21.587 1.00 0.00 N ATOM 0 H LYS A 55 -0.333 -5.548 25.548 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.860 -4.709 23.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.151 -5.787 25.706 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.776 -4.253 25.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.599 -5.798 22.808 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.127 -6.941 24.027 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.127 -6.003 23.147 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.907 -5.231 24.704 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.214 -3.301 23.538 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.522 -3.488 23.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.867 -3.099 21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.176 -4.649 21.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.816 -4.468 21.496 1.00 0.00 H new ATOM 866 N HIS A 56 -1.995 -3.074 26.061 1.00 0.00 N ATOM 867 CA HIS A 56 -1.703 -1.797 26.702 1.00 0.00 C ATOM 868 C HIS A 56 -1.404 -1.990 28.186 1.00 0.00 C ATOM 869 O HIS A 56 -1.157 -1.026 28.911 1.00 0.00 O ATOM 870 CB HIS A 56 -2.877 -0.834 26.527 1.00 0.00 C ATOM 871 CG HIS A 56 -3.501 -0.891 25.167 1.00 0.00 C ATOM 872 ND1 HIS A 56 -2.775 -1.100 24.014 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.792 -0.766 24.780 1.00 0.00 C ATOM 874 CE1 HIS A 56 -3.592 -1.100 22.976 1.00 0.00 C ATOM 875 NE2 HIS A 56 -4.822 -0.899 23.413 1.00 0.00 N ATOM 0 H HIS A 56 -2.630 -3.674 26.587 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.820 -1.372 26.224 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.636 -1.060 27.276 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.534 0.183 26.718 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.765 -1.234 23.969 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.640 -0.594 25.426 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.303 -1.241 21.945 1.00 0.00 H new ATOM 883 N THR A 57 -1.429 -3.242 28.632 1.00 0.00 N ATOM 884 CA THR A 57 -1.163 -3.561 30.029 1.00 0.00 C ATOM 885 C THR A 57 -0.021 -2.714 30.578 1.00 0.00 C ATOM 886 O THR A 57 1.084 -2.717 30.035 1.00 0.00 O ATOM 887 CB THR A 57 -0.815 -5.051 30.208 1.00 0.00 C ATOM 888 OG1 THR A 57 -1.273 -5.800 29.077 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.444 -5.604 31.478 1.00 0.00 C ATOM 0 H THR A 57 -1.631 -4.052 28.046 1.00 0.00 H new ATOM 0 HA THR A 57 -2.075 -3.339 30.584 1.00 0.00 H new ATOM 0 HB THR A 57 0.268 -5.142 30.289 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.496 -6.712 29.357 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.185 -6.657 31.584 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.071 -5.050 32.340 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.528 -5.501 31.422 1.00 0.00 H new ATOM 897 N PHE A 58 -0.293 -1.991 31.659 1.00 0.00 N ATOM 898 CA PHE A 58 0.713 -1.139 32.282 1.00 0.00 C ATOM 899 C PHE A 58 0.617 -1.208 33.804 1.00 0.00 C ATOM 900 O PHE A 58 -0.368 -1.703 34.353 1.00 0.00 O ATOM 901 CB PHE A 58 0.546 0.309 31.815 1.00 0.00 C ATOM 902 CG PHE A 58 0.225 1.265 32.928 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.238 1.873 33.651 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.091 1.556 33.251 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.946 2.753 34.675 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.389 2.436 34.274 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.370 3.034 34.988 1.00 0.00 C ATOM 0 H PHE A 58 -1.202 -1.978 32.122 1.00 0.00 H new ATOM 0 HA PHE A 58 1.696 -1.500 31.980 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.464 0.632 31.323 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.248 0.352 31.069 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.269 1.656 33.411 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.892 1.090 32.697 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.746 3.221 35.230 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.419 2.656 34.515 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.601 3.720 35.790 1.00 0.00 H new ATOM 917 N LEU A 59 1.646 -0.708 34.478 1.00 0.00 N ATOM 918 CA LEU A 59 1.680 -0.713 35.937 1.00 0.00 C ATOM 919 C LEU A 59 2.218 0.610 36.473 1.00 0.00 C ATOM 920 O LEU A 59 3.147 1.189 35.910 1.00 0.00 O ATOM 921 CB LEU A 59 2.543 -1.870 36.443 1.00 0.00 C ATOM 922 CG LEU A 59 1.872 -3.243 36.478 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.715 -4.230 37.270 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.474 -3.138 37.069 1.00 0.00 C ATOM 0 H LEU A 59 2.468 -0.294 34.038 1.00 0.00 H new ATOM 0 HA LEU A 59 0.660 -0.843 36.299 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.430 -1.937 35.813 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.884 -1.629 37.450 1.00 0.00 H new ATOM 0 HG LEU A 59 1.786 -3.610 35.455 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.221 -5.202 37.284 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.695 -4.328 36.803 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.834 -3.869 38.292 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.011 -4.125 37.086 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.537 -2.749 38.085 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.129 -2.465 36.460 1.00 0.00 H new ATOM 936 N CYS A 60 1.628 1.082 37.566 1.00 0.00 N ATOM 937 CA CYS A 60 2.048 2.336 38.181 1.00 0.00 C ATOM 938 C CYS A 60 3.508 2.266 38.617 1.00 0.00 C ATOM 939 O CYS A 60 4.085 1.183 38.719 1.00 0.00 O ATOM 940 CB CYS A 60 1.160 2.661 39.384 1.00 0.00 C ATOM 941 SG CYS A 60 -0.625 2.507 39.054 1.00 0.00 S ATOM 0 H CYS A 60 0.857 0.615 38.044 1.00 0.00 H new ATOM 0 HA CYS A 60 1.947 3.128 37.439 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.425 1.998 40.207 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.371 3.678 39.714 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.895 1.290 38.686 1.00 0.00 H new ATOM 946 N SER A 61 4.100 3.428 38.874 1.00 0.00 N ATOM 947 CA SER A 61 5.494 3.499 39.296 1.00 0.00 C ATOM 948 C SER A 61 5.603 3.468 40.817 1.00 0.00 C ATOM 949 O SER A 61 6.701 3.417 41.372 1.00 0.00 O ATOM 950 CB SER A 61 6.149 4.770 38.752 1.00 0.00 C ATOM 951 OG SER A 61 5.548 5.929 39.302 1.00 0.00 O ATOM 0 H SER A 61 3.636 4.333 38.797 1.00 0.00 H new ATOM 0 HA SER A 61 6.015 2.630 38.894 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.214 4.763 38.986 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.061 4.792 37.666 1.00 0.00 H new ATOM 0 HG SER A 61 5.986 6.728 38.940 1.00 0.00 H new ATOM 957 N LYS A 62 4.456 3.499 41.487 1.00 0.00 N ATOM 958 CA LYS A 62 4.420 3.474 42.945 1.00 0.00 C ATOM 959 C LYS A 62 4.699 2.070 43.471 1.00 0.00 C ATOM 960 O LYS A 62 5.212 1.902 44.579 1.00 0.00 O ATOM 961 CB LYS A 62 3.059 3.958 43.450 1.00 0.00 C ATOM 962 CG LYS A 62 2.072 2.834 43.711 1.00 0.00 C ATOM 963 CD LYS A 62 0.644 3.349 43.773 1.00 0.00 C ATOM 964 CE LYS A 62 0.490 4.441 44.821 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.798 5.174 44.674 1.00 0.00 N ATOM 0 H LYS A 62 3.538 3.542 41.044 1.00 0.00 H new ATOM 0 HA LYS A 62 5.197 4.143 43.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.203 4.525 44.370 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.632 4.643 42.717 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.156 2.085 42.924 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.322 2.339 44.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.353 3.737 42.797 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.031 2.525 44.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.545 4.000 45.816 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.319 5.144 44.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.865 5.909 45.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.840 5.617 43.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.590 4.508 44.779 1.00 0.00 H new ATOM 979 N HIS A 63 4.361 1.064 42.671 1.00 0.00 N ATOM 980 CA HIS A 63 4.578 -0.326 43.056 1.00 0.00 C ATOM 981 C HIS A 63 6.067 -0.627 43.190 1.00 0.00 C ATOM 982 O HIS A 63 6.500 -1.258 44.154 1.00 0.00 O ATOM 983 CB HIS A 63 3.946 -1.266 42.029 1.00 0.00 C ATOM 984 CG HIS A 63 2.496 -0.987 41.774 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.541 -0.999 42.768 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.841 -0.686 40.629 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.361 -0.719 42.245 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.516 -0.524 40.948 1.00 0.00 N ATOM 0 H HIS A 63 3.936 1.185 41.752 1.00 0.00 H new ATOM 0 HA HIS A 63 4.105 -0.487 44.025 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.494 -1.186 41.090 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.054 -2.294 42.374 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.718 -1.194 43.753 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.279 -0.591 39.647 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.572 -0.660 42.786 1.00 0.00 H new ATOM 996 N PHE A 64 6.848 -0.172 42.215 1.00 0.00 N ATOM 997 CA PHE A 64 8.289 -0.394 42.223 1.00 0.00 C ATOM 998 C PHE A 64 8.980 0.553 43.200 1.00 0.00 C ATOM 999 O PHE A 64 8.590 1.712 43.337 1.00 0.00 O ATOM 1000 CB PHE A 64 8.863 -0.203 40.818 1.00 0.00 C ATOM 1001 CG PHE A 64 8.182 -1.040 39.773 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.986 -0.628 39.209 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.739 -2.238 39.355 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.356 -1.397 38.248 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.114 -3.011 38.394 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.922 -2.589 37.839 1.00 0.00 C ATOM 0 H PHE A 64 6.507 0.353 41.410 1.00 0.00 H new ATOM 0 HA PHE A 64 8.472 -1.419 42.547 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.781 0.848 40.540 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.925 -0.447 40.832 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.541 0.304 39.523 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.672 -2.572 39.785 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.422 -1.066 37.818 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.557 -3.944 38.078 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.433 -3.190 37.086 1.00 0.00 H new ATOM 1016 N GLU A 65 10.008 0.050 43.876 1.00 0.00 N ATOM 1017 CA GLU A 65 10.752 0.851 44.841 1.00 0.00 C ATOM 1018 C GLU A 65 11.568 1.931 44.138 1.00 0.00 C ATOM 1019 O GLU A 65 11.050 2.995 43.800 1.00 0.00 O ATOM 1020 CB GLU A 65 11.676 -0.042 45.673 1.00 0.00 C ATOM 1021 CG GLU A 65 10.956 -0.811 46.767 1.00 0.00 C ATOM 1022 CD GLU A 65 11.175 -0.213 48.143 1.00 0.00 C ATOM 1023 OE1 GLU A 65 10.471 0.762 48.484 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.049 -0.717 48.878 1.00 0.00 O ATOM 0 H GLU A 65 10.344 -0.907 43.773 1.00 0.00 H new ATOM 0 HA GLU A 65 10.034 1.336 45.503 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.175 -0.750 45.012 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.453 0.575 46.125 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.888 -0.830 46.549 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.300 -1.845 46.766 1.00 0.00 H new ATOM 1031 N ALA A 66 12.849 1.649 43.920 1.00 0.00 N ATOM 1032 CA ALA A 66 13.737 2.595 43.256 1.00 0.00 C ATOM 1033 C ALA A 66 14.797 1.869 42.435 1.00 0.00 C ATOM 1034 O ALA A 66 15.178 2.322 41.356 1.00 0.00 O ATOM 1035 CB ALA A 66 14.394 3.510 44.279 1.00 0.00 C ATOM 0 H ALA A 66 13.294 0.773 44.194 1.00 0.00 H new ATOM 0 HA ALA A 66 13.139 3.200 42.575 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.054 4.211 43.769 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.626 4.063 44.819 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.973 2.912 44.983 1.00 0.00 H new ATOM 1041 N SER A 67 15.270 0.741 42.953 1.00 0.00 N ATOM 1042 CA SER A 67 16.290 -0.046 42.270 1.00 0.00 C ATOM 1043 C SER A 67 15.746 -0.629 40.969 1.00 0.00 C ATOM 1044 O SER A 67 16.496 -1.176 40.160 1.00 0.00 O ATOM 1045 CB SER A 67 16.789 -1.172 43.178 1.00 0.00 C ATOM 1046 OG SER A 67 18.075 -0.878 43.696 1.00 0.00 O ATOM 0 H SER A 67 14.963 0.351 43.844 1.00 0.00 H new ATOM 0 HA SER A 67 17.124 0.614 42.031 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.088 -1.319 43.999 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.824 -2.106 42.618 1.00 0.00 H new ATOM 0 HG SER A 67 18.370 -1.612 44.274 1.00 0.00 H new ATOM 1052 N CYS A 68 14.438 -0.507 40.776 1.00 0.00 N ATOM 1053 CA CYS A 68 13.791 -1.023 39.574 1.00 0.00 C ATOM 1054 C CYS A 68 13.786 0.027 38.468 1.00 0.00 C ATOM 1055 O CYS A 68 13.431 -0.263 37.325 1.00 0.00 O ATOM 1056 CB CYS A 68 12.359 -1.459 39.888 1.00 0.00 C ATOM 1057 SG CYS A 68 12.241 -3.051 40.735 1.00 0.00 S ATOM 0 H CYS A 68 13.804 -0.056 41.436 1.00 0.00 H new ATOM 0 HA CYS A 68 14.357 -1.887 39.227 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.885 -0.695 40.505 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.794 -1.512 38.957 1.00 0.00 H new ATOM 0 HG CYS A 68 11.253 -3.735 40.238 1.00 0.00 H new ATOM 1063 N PHE A 69 14.180 1.247 38.815 1.00 0.00 N ATOM 1064 CA PHE A 69 14.219 2.341 37.851 1.00 0.00 C ATOM 1065 C PHE A 69 15.658 2.747 37.546 1.00 0.00 C ATOM 1066 O PHE A 69 16.596 2.277 38.189 1.00 0.00 O ATOM 1067 CB PHE A 69 13.439 3.546 38.384 1.00 0.00 C ATOM 1068 CG PHE A 69 11.969 3.285 38.544 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.147 3.172 37.435 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.409 3.152 39.805 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.793 2.932 37.579 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.056 2.911 39.955 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.247 2.802 38.841 1.00 0.00 C ATOM 0 H PHE A 69 14.477 1.504 39.756 1.00 0.00 H new ATOM 0 HA PHE A 69 13.755 1.995 36.928 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.855 3.840 39.348 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.579 4.388 37.706 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.569 3.273 36.446 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.036 3.238 40.680 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.163 2.846 36.706 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.632 2.808 40.943 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.190 2.615 38.956 1.00 0.00 H new ATOM 1083 N ASP A 70 15.823 3.622 36.560 1.00 0.00 N ATOM 1084 CA ASP A 70 17.146 4.092 36.168 1.00 0.00 C ATOM 1085 C ASP A 70 17.389 5.512 36.670 1.00 0.00 C ATOM 1086 O ASP A 70 16.987 6.485 36.031 1.00 0.00 O ATOM 1087 CB ASP A 70 17.299 4.042 34.647 1.00 0.00 C ATOM 1088 CG ASP A 70 18.582 3.358 34.217 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.490 3.214 35.062 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.678 2.967 33.034 1.00 0.00 O ATOM 0 H ASP A 70 15.056 4.020 36.018 1.00 0.00 H new ATOM 0 HA ASP A 70 17.887 3.434 36.621 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.448 3.515 34.216 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.281 5.057 34.249 1.00 0.00 H new ATOM 1095 N LEU A 71 18.047 5.623 37.819 1.00 0.00 N ATOM 1096 CA LEU A 71 18.343 6.925 38.408 1.00 0.00 C ATOM 1097 C LEU A 71 19.843 7.203 38.390 1.00 0.00 C ATOM 1098 O LEU A 71 20.273 8.342 38.208 1.00 0.00 O ATOM 1099 CB LEU A 71 17.818 6.988 39.843 1.00 0.00 C ATOM 1100 CG LEU A 71 16.436 6.378 40.080 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.529 4.862 40.162 1.00 0.00 C ATOM 1102 CD2 LEU A 71 15.812 6.945 41.347 1.00 0.00 C ATOM 0 H LEU A 71 18.386 4.828 38.361 1.00 0.00 H new ATOM 0 HA LEU A 71 17.844 7.688 37.811 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.532 6.482 40.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.790 8.033 40.153 1.00 0.00 H new ATOM 0 HG LEU A 71 15.796 6.638 39.237 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.536 4.445 40.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.933 4.471 39.228 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.185 4.582 40.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.829 6.499 41.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.450 6.717 42.201 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.709 8.026 41.250 1.00 0.00 H new ATOM 1152 N THR A 75 17.017 9.898 33.637 1.00 0.00 N ATOM 1153 CA THR A 75 15.698 10.060 34.236 1.00 0.00 C ATOM 1154 C THR A 75 15.166 8.731 34.761 1.00 0.00 C ATOM 1155 O THR A 75 15.426 7.676 34.183 1.00 0.00 O ATOM 1156 CB THR A 75 14.690 10.640 33.226 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.359 10.254 33.585 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.999 10.160 31.816 1.00 0.00 C ATOM 0 HA THR A 75 15.811 10.757 35.066 1.00 0.00 H new ATOM 0 HB THR A 75 14.772 11.727 33.249 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.724 10.628 32.939 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.274 10.583 31.121 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.002 10.481 31.534 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.943 9.072 31.782 1.00 0.00 H new ATOM 1166 N ARG A 76 14.419 8.791 35.859 1.00 0.00 N ATOM 1167 CA ARG A 76 13.851 7.591 36.462 1.00 0.00 C ATOM 1168 C ARG A 76 13.116 6.754 35.419 1.00 0.00 C ATOM 1169 O ARG A 76 11.958 7.022 35.099 1.00 0.00 O ATOM 1170 CB ARG A 76 12.896 7.968 37.596 1.00 0.00 C ATOM 1171 CG ARG A 76 13.310 7.418 38.950 1.00 0.00 C ATOM 1172 CD ARG A 76 12.105 7.164 39.842 1.00 0.00 C ATOM 1173 NE ARG A 76 12.069 8.072 40.985 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.108 8.060 41.903 1.00 0.00 C ATOM 1175 NH1 ARG A 76 10.111 7.192 41.812 1.00 0.00 N ATOM 1176 NH2 ARG A 76 11.146 8.918 42.915 1.00 0.00 N ATOM 0 H ARG A 76 14.193 9.657 36.349 1.00 0.00 H new ATOM 0 HA ARG A 76 14.669 6.996 36.868 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.832 9.054 37.659 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.898 7.603 37.355 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.864 6.489 38.812 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.984 8.122 39.439 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.191 7.279 39.259 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.128 6.134 40.198 1.00 0.00 H new ATOM 0 HE ARG A 76 12.822 8.752 41.084 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.080 6.531 41.036 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.375 7.185 42.518 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.913 9.587 42.988 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.408 8.909 43.619 1.00 0.00 H new ATOM 1190 N ARG A 77 13.796 5.741 34.894 1.00 0.00 N ATOM 1191 CA ARG A 77 13.208 4.867 33.887 1.00 0.00 C ATOM 1192 C ARG A 77 13.204 3.416 34.361 1.00 0.00 C ATOM 1193 O ARG A 77 14.218 2.905 34.838 1.00 0.00 O ATOM 1194 CB ARG A 77 13.977 4.982 32.569 1.00 0.00 C ATOM 1195 CG ARG A 77 13.776 6.311 31.861 1.00 0.00 C ATOM 1196 CD ARG A 77 14.074 6.200 30.373 1.00 0.00 C ATOM 1197 NE ARG A 77 13.020 6.798 29.558 1.00 0.00 N ATOM 1198 CZ ARG A 77 12.805 6.479 28.286 1.00 0.00 C ATOM 1199 NH1 ARG A 77 13.567 5.573 27.688 1.00 0.00 N ATOM 1200 NH2 ARG A 77 11.826 7.066 27.610 1.00 0.00 N ATOM 0 H ARG A 77 14.755 5.505 35.149 1.00 0.00 H new ATOM 0 HA ARG A 77 12.177 5.182 33.727 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.040 4.841 32.765 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.666 4.176 31.905 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.750 6.649 32.003 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.425 7.064 32.308 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.023 6.691 30.156 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.189 5.150 30.104 1.00 0.00 H new ATOM 0 HE ARG A 77 12.416 7.498 29.988 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.320 5.119 28.205 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.400 5.330 26.712 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.238 7.763 28.067 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.662 6.820 26.634 1.00 0.00 H new ATOM 1214 N LEU A 78 12.058 2.759 34.227 1.00 0.00 N ATOM 1215 CA LEU A 78 11.921 1.367 34.642 1.00 0.00 C ATOM 1216 C LEU A 78 12.671 0.439 33.692 1.00 0.00 C ATOM 1217 O LEU A 78 12.389 0.400 32.494 1.00 0.00 O ATOM 1218 CB LEU A 78 10.444 0.973 34.699 1.00 0.00 C ATOM 1219 CG LEU A 78 10.124 -0.330 35.431 1.00 0.00 C ATOM 1220 CD1 LEU A 78 10.996 -1.463 34.911 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.310 -0.158 36.932 1.00 0.00 C ATOM 0 H LEU A 78 11.210 3.167 33.834 1.00 0.00 H new ATOM 0 HA LEU A 78 12.355 1.266 35.637 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.892 1.781 35.179 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.070 0.894 33.678 1.00 0.00 H new ATOM 0 HG LEU A 78 9.081 -0.584 35.240 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.754 -2.382 35.444 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.814 -1.603 33.845 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.046 -1.217 35.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.078 -1.096 37.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.343 0.121 37.141 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.643 0.624 37.294 1.00 0.00 H new ATOM 1233 N LYS A 79 13.625 -0.310 34.234 1.00 0.00 N ATOM 1234 CA LYS A 79 14.414 -1.241 33.436 1.00 0.00 C ATOM 1235 C LYS A 79 13.593 -2.472 33.067 1.00 0.00 C ATOM 1236 O LYS A 79 12.891 -3.035 33.907 1.00 0.00 O ATOM 1237 CB LYS A 79 15.670 -1.663 34.200 1.00 0.00 C ATOM 1238 CG LYS A 79 16.428 -0.499 34.815 1.00 0.00 C ATOM 1239 CD LYS A 79 16.859 -0.804 36.240 1.00 0.00 C ATOM 1240 CE LYS A 79 17.952 -1.860 36.278 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.227 -1.360 35.692 1.00 0.00 N ATOM 0 H LYS A 79 13.871 -0.290 35.224 1.00 0.00 H new ATOM 0 HA LYS A 79 14.709 -0.734 32.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.388 -2.360 34.989 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.334 -2.201 33.523 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.306 -0.274 34.209 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.799 0.391 34.807 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.217 0.109 36.716 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.999 -1.148 36.815 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.123 -2.169 37.309 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.623 -2.743 35.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.008 -1.987 35.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.150 -1.346 34.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.414 -0.397 36.038 1.00 0.00 H new ATOM 1255 N MET A 80 13.687 -2.886 31.808 1.00 0.00 N ATOM 1256 CA MET A 80 12.954 -4.053 31.330 1.00 0.00 C ATOM 1257 C MET A 80 13.294 -5.286 32.161 1.00 0.00 C ATOM 1258 O MET A 80 12.523 -6.245 32.210 1.00 0.00 O ATOM 1259 CB MET A 80 13.272 -4.313 29.856 1.00 0.00 C ATOM 1260 CG MET A 80 14.363 -5.351 29.644 1.00 0.00 C ATOM 1261 SD MET A 80 15.216 -5.150 28.069 1.00 0.00 S ATOM 1262 CE MET A 80 13.883 -5.480 26.918 1.00 0.00 C ATOM 0 H MET A 80 14.263 -2.431 31.100 1.00 0.00 H new ATOM 0 HA MET A 80 11.888 -3.849 31.434 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.365 -4.643 29.350 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.576 -3.377 29.388 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.087 -5.283 30.456 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.925 -6.348 29.691 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.270 -5.464 25.899 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.455 -6.460 27.128 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.112 -4.717 27.025 1.00 0.00 H new ATOM 1272 N ASP A 81 14.451 -5.254 32.813 1.00 0.00 N ATOM 1273 CA ASP A 81 14.892 -6.369 33.643 1.00 0.00 C ATOM 1274 C ASP A 81 14.485 -6.157 35.098 1.00 0.00 C ATOM 1275 O ASP A 81 14.994 -6.824 35.998 1.00 0.00 O ATOM 1276 CB ASP A 81 16.409 -6.537 33.544 1.00 0.00 C ATOM 1277 CG ASP A 81 16.836 -7.185 32.242 1.00 0.00 C ATOM 1278 OD1 ASP A 81 15.959 -7.435 31.389 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.047 -7.444 32.076 1.00 0.00 O ATOM 0 H ASP A 81 15.100 -4.468 32.783 1.00 0.00 H new ATOM 0 HA ASP A 81 14.409 -7.275 33.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.886 -5.561 33.634 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.760 -7.142 34.380 1.00 0.00 H new ATOM 1284 N ALA A 82 13.565 -5.225 35.320 1.00 0.00 N ATOM 1285 CA ALA A 82 13.089 -4.926 36.665 1.00 0.00 C ATOM 1286 C ALA A 82 11.676 -5.458 36.878 1.00 0.00 C ATOM 1287 O ALA A 82 10.796 -5.266 36.038 1.00 0.00 O ATOM 1288 CB ALA A 82 13.135 -3.427 36.921 1.00 0.00 C ATOM 0 H ALA A 82 13.134 -4.663 34.586 1.00 0.00 H new ATOM 0 HA ALA A 82 13.748 -5.425 37.376 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.777 -3.219 37.929 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.161 -3.072 36.820 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.501 -2.915 36.198 1.00 0.00 H new ATOM 1294 N VAL A 83 11.464 -6.128 38.006 1.00 0.00 N ATOM 1295 CA VAL A 83 10.157 -6.687 38.330 1.00 0.00 C ATOM 1296 C VAL A 83 9.605 -6.086 39.617 1.00 0.00 C ATOM 1297 O VAL A 83 10.349 -5.672 40.507 1.00 0.00 O ATOM 1298 CB VAL A 83 10.223 -8.219 38.479 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.612 -8.900 37.264 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.660 -8.672 38.688 1.00 0.00 C ATOM 0 H VAL A 83 12.181 -6.297 38.711 1.00 0.00 H new ATOM 0 HA VAL A 83 9.493 -6.438 37.502 1.00 0.00 H new ATOM 0 HB VAL A 83 9.644 -8.507 39.357 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.667 -9.982 37.387 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.569 -8.599 37.164 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.161 -8.608 36.369 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.688 -9.757 38.791 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.264 -8.373 37.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.059 -8.211 39.591 1.00 0.00 H new ATOM 1310 N PRO A 84 8.269 -6.035 39.721 1.00 0.00 N ATOM 1311 CA PRO A 84 7.587 -5.487 40.897 1.00 0.00 C ATOM 1312 C PRO A 84 7.747 -6.374 42.127 1.00 0.00 C ATOM 1313 O PRO A 84 6.832 -7.110 42.499 1.00 0.00 O ATOM 1314 CB PRO A 84 6.119 -5.434 40.464 1.00 0.00 C ATOM 1315 CG PRO A 84 5.997 -6.483 39.413 1.00 0.00 C ATOM 1316 CD PRO A 84 7.321 -6.511 38.700 1.00 0.00 C ATOM 0 HA PRO A 84 7.995 -4.519 41.190 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.451 -5.634 41.302 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.856 -4.451 40.074 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.771 -7.454 39.855 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.187 -6.251 38.722 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.571 -7.515 38.356 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.318 -5.865 37.822 1.00 0.00 H new ATOM 1324 N THR A 85 8.916 -6.301 42.756 1.00 0.00 N ATOM 1325 CA THR A 85 9.197 -7.098 43.943 1.00 0.00 C ATOM 1326 C THR A 85 8.595 -6.458 45.189 1.00 0.00 C ATOM 1327 O THR A 85 9.240 -6.387 46.235 1.00 0.00 O ATOM 1328 CB THR A 85 10.712 -7.278 44.154 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.279 -6.076 44.688 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.402 -7.631 42.845 1.00 0.00 C ATOM 0 H THR A 85 9.684 -5.697 42.462 1.00 0.00 H new ATOM 0 HA THR A 85 8.742 -8.075 43.782 1.00 0.00 H new ATOM 0 HB THR A 85 10.863 -8.095 44.859 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.834 -5.851 45.532 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.471 -7.753 43.019 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.989 -8.561 42.455 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.241 -6.832 42.122 1.00 0.00 H new ATOM 1338 N ILE A 86 7.355 -5.996 45.071 1.00 0.00 N ATOM 1339 CA ILE A 86 6.665 -5.364 46.189 1.00 0.00 C ATOM 1340 C ILE A 86 5.204 -5.796 46.249 1.00 0.00 C ATOM 1341 O ILE A 86 4.850 -6.728 46.971 1.00 0.00 O ATOM 1342 CB ILE A 86 6.732 -3.828 46.096 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.165 -3.343 46.321 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.788 -3.195 47.108 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.830 -2.821 45.067 1.00 0.00 C ATOM 0 H ILE A 86 6.807 -6.047 44.212 1.00 0.00 H new ATOM 0 HA ILE A 86 7.174 -5.687 47.097 1.00 0.00 H new ATOM 0 HB ILE A 86 6.419 -3.525 45.097 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.159 -2.555 47.074 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.759 -4.164 46.723 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.846 -2.109 47.030 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.767 -3.519 46.906 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.073 -3.503 48.114 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.843 -2.495 45.301 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.868 -3.613 44.319 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.259 -1.979 44.676 1.00 0.00 H new ATOM 1357 N PHE A 87 4.359 -5.113 45.483 1.00 0.00 N ATOM 1358 CA PHE A 87 2.936 -5.427 45.448 1.00 0.00 C ATOM 1359 C PHE A 87 2.389 -5.631 46.858 1.00 0.00 C ATOM 1360 O PHE A 87 2.262 -6.762 47.328 1.00 0.00 O ATOM 1361 CB PHE A 87 2.688 -6.680 44.606 1.00 0.00 C ATOM 1362 CG PHE A 87 2.365 -6.384 43.170 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.296 -5.566 42.841 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.130 -6.923 42.148 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.996 -5.291 41.520 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.835 -6.650 40.825 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.766 -5.835 40.511 1.00 0.00 C ATOM 0 H PHE A 87 4.635 -4.339 44.879 1.00 0.00 H new ATOM 0 HA PHE A 87 2.415 -4.584 44.994 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.572 -7.316 44.647 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.867 -7.246 45.045 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.690 -5.138 43.626 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.966 -7.563 42.388 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.160 -4.651 41.277 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.441 -7.074 40.038 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.532 -5.623 39.478 1.00 0.00 H new