USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 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 134:sc= 2.06 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.76! C(o=-1.7!,f=-7.7!) USER MOD Set 1.3: A 61 SER OG : rot -133:sc= 0.962 USER MOD Set 2.1: A 12 CYS SG : rot -160:sc= 0.524 USER MOD Set 2.2: A 17 CYS SG : rot -161:sc= -1.23 USER MOD Set 2.3: A 19 THR OG1 : rot 167:sc= 0 USER MOD Set 2.4: A 60 CYS SG : rot 67:sc= -2.58! USER MOD Set 2.5: A 63 HIS : no HD1:sc= -2.05! X(o=-5.3!,f=-5.3) USER MOD Single : A 11 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.5!) USER MOD Single : A 20 THR OG1 : rot -17:sc= 0.644 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.8) USER MOD Single : A 26 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.61) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00664) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -0.989 (180deg=-1.07) USER MOD Single : A 50 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.32) USER MOD Single : A 57 THR OG1 : rot 150:sc= 0.01 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -25:sc= 0.667 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0654 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= -0.253 (180deg=-0.774) USER MOD Single : A 80 MET CE :methyl -157:sc= -0.738 (180deg=-1.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.730 2.154 32.422 1.00 0.00 N ATOM 112 CA ASN A 11 -5.953 1.609 33.756 1.00 0.00 C ATOM 113 C ASN A 11 -4.728 0.839 34.241 1.00 0.00 C ATOM 114 O ASN A 11 -3.721 0.745 33.537 1.00 0.00 O ATOM 115 CB ASN A 11 -7.178 0.693 33.758 1.00 0.00 C ATOM 116 CG ASN A 11 -6.807 -0.768 33.924 1.00 0.00 C ATOM 117 OD1 ASN A 11 -5.987 -1.301 33.176 1.00 0.00 O ATOM 118 ND2 ASN A 11 -7.412 -1.425 34.907 1.00 0.00 N ATOM 0 HA ASN A 11 -6.130 2.442 34.436 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.848 0.989 34.565 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.726 0.822 32.825 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.203 -2.411 35.066 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.085 -0.944 35.503 1.00 0.00 H new ATOM 125 N CYS A 12 -4.820 0.290 35.447 1.00 0.00 N ATOM 126 CA CYS A 12 -3.721 -0.472 36.027 1.00 0.00 C ATOM 127 C CYS A 12 -3.963 -1.972 35.885 1.00 0.00 C ATOM 128 O CYS A 12 -5.061 -2.461 36.151 1.00 0.00 O ATOM 129 CB CYS A 12 -3.545 -0.111 37.504 1.00 0.00 C ATOM 130 SG CYS A 12 -2.004 -0.738 38.245 1.00 0.00 S ATOM 0 H CYS A 12 -5.645 0.359 36.042 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.810 -0.216 35.486 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.570 0.974 37.607 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.392 -0.504 38.066 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.124 -0.764 39.539 1.00 0.00 H new ATOM 135 N ALA A 13 -2.931 -2.695 35.464 1.00 0.00 N ATOM 136 CA ALA A 13 -3.031 -4.139 35.288 1.00 0.00 C ATOM 137 C ALA A 13 -3.052 -4.855 36.634 1.00 0.00 C ATOM 138 O ALA A 13 -3.467 -6.010 36.726 1.00 0.00 O ATOM 139 CB ALA A 13 -1.878 -4.647 34.435 1.00 0.00 C ATOM 0 H ALA A 13 -2.016 -2.305 35.238 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.969 -4.355 34.777 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.965 -5.726 34.312 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.909 -4.166 33.457 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.933 -4.413 34.924 1.00 0.00 H new ATOM 145 N ALA A 14 -2.600 -4.163 37.675 1.00 0.00 N ATOM 146 CA ALA A 14 -2.568 -4.734 39.016 1.00 0.00 C ATOM 147 C ALA A 14 -3.940 -5.263 39.420 1.00 0.00 C ATOM 148 O ALA A 14 -4.914 -5.116 38.682 1.00 0.00 O ATOM 149 CB ALA A 14 -2.084 -3.697 40.019 1.00 0.00 C ATOM 0 H ALA A 14 -2.251 -3.206 37.615 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.871 -5.572 39.011 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.065 -4.137 41.016 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.081 -3.369 39.748 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.759 -2.842 40.012 1.00 0.00 H new ATOM 155 N ALA A 15 -4.009 -5.879 40.595 1.00 0.00 N ATOM 156 CA ALA A 15 -5.262 -6.429 41.097 1.00 0.00 C ATOM 157 C ALA A 15 -6.081 -5.362 41.815 1.00 0.00 C ATOM 158 O ALA A 15 -6.904 -4.681 41.204 1.00 0.00 O ATOM 159 CB ALA A 15 -4.989 -7.602 42.027 1.00 0.00 C ATOM 0 H ALA A 15 -3.212 -6.010 41.217 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.842 -6.783 40.245 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.934 -8.003 42.394 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.452 -8.380 41.484 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.386 -7.265 42.870 1.00 0.00 H new ATOM 165 N GLY A 16 -5.850 -5.221 43.117 1.00 0.00 N ATOM 166 CA GLY A 16 -6.576 -4.235 43.897 1.00 0.00 C ATOM 167 C GLY A 16 -5.926 -2.867 43.849 1.00 0.00 C ATOM 168 O GLY A 16 -5.116 -2.525 44.712 1.00 0.00 O ATOM 0 H GLY A 16 -5.173 -5.772 43.645 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.598 -4.162 43.525 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.637 -4.569 44.933 1.00 0.00 H new ATOM 172 N CYS A 17 -6.280 -2.080 42.838 1.00 0.00 N ATOM 173 CA CYS A 17 -5.725 -0.742 42.680 1.00 0.00 C ATOM 174 C CYS A 17 -6.785 0.230 42.170 1.00 0.00 C ATOM 175 O CYS A 17 -7.747 -0.172 41.516 1.00 0.00 O ATOM 176 CB CYS A 17 -4.538 -0.770 41.715 1.00 0.00 C ATOM 177 SG CYS A 17 -3.854 0.873 41.328 1.00 0.00 S ATOM 0 H CYS A 17 -6.949 -2.347 42.116 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.383 -0.400 43.657 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.749 -1.388 42.144 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.849 -1.250 40.787 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.154 0.805 40.235 1.00 0.00 H new ATOM 182 N ALA A 18 -6.602 1.511 42.474 1.00 0.00 N ATOM 183 CA ALA A 18 -7.540 2.540 42.045 1.00 0.00 C ATOM 184 C ALA A 18 -6.835 3.623 41.236 1.00 0.00 C ATOM 185 O ALA A 18 -7.011 4.816 41.489 1.00 0.00 O ATOM 186 CB ALA A 18 -8.241 3.150 43.250 1.00 0.00 C ATOM 0 H ALA A 18 -5.812 1.860 43.016 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.286 2.072 41.403 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.939 3.917 42.915 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.786 2.373 43.786 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.501 3.597 43.913 1.00 0.00 H new ATOM 192 N THR A 19 -6.035 3.202 40.262 1.00 0.00 N ATOM 193 CA THR A 19 -5.302 4.136 39.417 1.00 0.00 C ATOM 194 C THR A 19 -5.770 4.050 37.968 1.00 0.00 C ATOM 195 O THR A 19 -5.591 3.027 37.306 1.00 0.00 O ATOM 196 CB THR A 19 -3.786 3.871 39.471 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.244 4.378 40.696 1.00 0.00 O ATOM 198 CG2 THR A 19 -3.080 4.522 38.291 1.00 0.00 C ATOM 0 H THR A 19 -5.878 2.219 40.039 1.00 0.00 H new ATOM 0 HA THR A 19 -5.503 5.136 39.802 1.00 0.00 H new ATOM 0 HB THR A 19 -3.626 2.794 39.421 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.337 4.029 40.821 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.010 4.321 38.351 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.474 4.114 37.361 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.249 5.599 38.315 1.00 0.00 H new ATOM 206 N THR A 20 -6.369 5.131 37.479 1.00 0.00 N ATOM 207 CA THR A 20 -6.862 5.178 36.109 1.00 0.00 C ATOM 208 C THR A 20 -7.120 6.614 35.666 1.00 0.00 C ATOM 209 O THR A 20 -6.642 7.046 34.617 1.00 0.00 O ATOM 210 CB THR A 20 -8.159 4.363 35.951 1.00 0.00 C ATOM 211 OG1 THR A 20 -7.935 3.004 36.345 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.652 4.403 34.512 1.00 0.00 C ATOM 0 H THR A 20 -6.524 5.986 38.012 1.00 0.00 H new ATOM 0 HA THR A 20 -6.087 4.740 35.479 1.00 0.00 H new ATOM 0 HB THR A 20 -8.921 4.807 36.592 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.972 2.824 36.366 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.569 3.820 34.425 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.849 5.435 34.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.891 3.982 33.855 1.00 0.00 H new ATOM 220 N TYR A 21 -7.879 7.348 36.471 1.00 0.00 N ATOM 221 CA TYR A 21 -8.203 8.736 36.161 1.00 0.00 C ATOM 222 C TYR A 21 -8.153 9.601 37.417 1.00 0.00 C ATOM 223 O TYR A 21 -9.112 9.656 38.184 1.00 0.00 O ATOM 224 CB TYR A 21 -9.589 8.828 35.520 1.00 0.00 C ATOM 225 CG TYR A 21 -9.999 10.238 35.164 1.00 0.00 C ATOM 226 CD1 TYR A 21 -9.103 11.112 34.561 1.00 0.00 C ATOM 227 CD2 TYR A 21 -11.282 10.699 35.432 1.00 0.00 C ATOM 228 CE1 TYR A 21 -9.473 12.402 34.234 1.00 0.00 C ATOM 229 CE2 TYR A 21 -11.662 11.987 35.107 1.00 0.00 C ATOM 230 CZ TYR A 21 -10.753 12.835 34.509 1.00 0.00 C ATOM 231 OH TYR A 21 -11.127 14.119 34.185 1.00 0.00 O ATOM 0 H TYR A 21 -8.282 7.006 37.343 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.459 9.107 35.456 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.604 8.216 34.618 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.325 8.406 36.204 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.099 10.777 34.344 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.995 10.039 35.903 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.764 13.068 33.765 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.664 12.328 35.320 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.061 14.263 34.444 1.00 0.00 H new ATOM 241 N ASN A 22 -7.025 10.275 37.618 1.00 0.00 N ATOM 242 CA ASN A 22 -6.848 11.138 38.780 1.00 0.00 C ATOM 243 C ASN A 22 -6.459 12.551 38.355 1.00 0.00 C ATOM 244 O ASN A 22 -5.559 13.160 38.933 1.00 0.00 O ATOM 245 CB ASN A 22 -5.779 10.562 39.711 1.00 0.00 C ATOM 246 CG ASN A 22 -6.073 9.129 40.112 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.144 8.238 39.265 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.245 8.901 41.409 1.00 0.00 N ATOM 0 H ASN A 22 -6.221 10.240 36.992 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.798 11.186 39.313 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.808 10.606 39.217 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.709 11.180 40.606 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.445 7.957 41.739 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.177 9.670 42.075 1.00 0.00 H new ATOM 313 N ASN A 26 0.303 12.004 38.379 1.00 0.00 N ATOM 314 CA ASN A 26 1.751 12.135 38.264 1.00 0.00 C ATOM 315 C ASN A 26 2.399 10.780 37.998 1.00 0.00 C ATOM 316 O ASN A 26 3.393 10.687 37.276 1.00 0.00 O ATOM 317 CB ASN A 26 2.331 12.748 39.540 1.00 0.00 C ATOM 318 CG ASN A 26 2.912 11.702 40.472 1.00 0.00 C ATOM 319 OD1 ASN A 26 4.122 11.655 40.692 1.00 0.00 O ATOM 320 ND2 ASN A 26 2.049 10.858 41.025 1.00 0.00 N ATOM 0 HA ASN A 26 1.966 12.793 37.422 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.107 13.466 39.275 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.550 13.302 40.061 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.381 10.133 41.661 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.054 10.934 40.814 1.00 0.00 H new ATOM 327 N ILE A 27 1.831 9.732 38.585 1.00 0.00 N ATOM 328 CA ILE A 27 2.352 8.382 38.409 1.00 0.00 C ATOM 329 C ILE A 27 2.688 8.109 36.947 1.00 0.00 C ATOM 330 O ILE A 27 2.056 8.652 36.042 1.00 0.00 O ATOM 331 CB ILE A 27 1.349 7.323 38.900 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.291 7.313 40.429 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.728 5.948 38.371 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.375 6.249 40.993 1.00 0.00 C ATOM 0 H ILE A 27 1.010 9.792 39.187 1.00 0.00 H new ATOM 0 HA ILE A 27 3.261 8.314 39.007 1.00 0.00 H new ATOM 0 HB ILE A 27 0.360 7.578 38.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.296 7.160 40.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.957 8.290 40.778 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.009 5.210 38.727 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.723 5.963 37.281 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.724 5.684 38.725 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.384 6.301 42.082 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.640 6.413 40.630 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.720 5.265 40.674 1.00 0.00 H new ATOM 346 N SER A 28 3.687 7.261 36.724 1.00 0.00 N ATOM 347 CA SER A 28 4.109 6.916 35.371 1.00 0.00 C ATOM 348 C SER A 28 3.498 5.588 34.934 1.00 0.00 C ATOM 349 O SER A 28 2.808 4.924 35.707 1.00 0.00 O ATOM 350 CB SER A 28 5.635 6.837 35.295 1.00 0.00 C ATOM 351 OG SER A 28 6.150 5.956 36.278 1.00 0.00 O ATOM 0 H SER A 28 4.219 6.800 37.462 1.00 0.00 H new ATOM 0 HA SER A 28 3.758 7.697 34.697 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.936 6.497 34.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.061 7.831 35.434 1.00 0.00 H new ATOM 0 HG SER A 28 6.813 5.362 35.869 1.00 0.00 H new ATOM 357 N PHE A 29 3.756 5.208 33.687 1.00 0.00 N ATOM 358 CA PHE A 29 3.231 3.960 33.144 1.00 0.00 C ATOM 359 C PHE A 29 4.357 3.092 32.590 1.00 0.00 C ATOM 360 O PHE A 29 4.919 3.383 31.533 1.00 0.00 O ATOM 361 CB PHE A 29 2.207 4.249 32.045 1.00 0.00 C ATOM 362 CG PHE A 29 2.786 4.963 30.858 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.086 6.314 30.924 1.00 0.00 C ATOM 364 CD2 PHE A 29 3.031 4.283 29.675 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.620 6.974 29.833 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.565 4.938 28.581 1.00 0.00 C ATOM 367 CZ PHE A 29 3.858 6.285 28.660 1.00 0.00 C ATOM 0 H PHE A 29 4.325 5.746 33.034 1.00 0.00 H new ATOM 0 HA PHE A 29 2.742 3.417 33.953 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.767 3.309 31.714 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.399 4.850 32.462 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.901 6.858 31.838 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.802 3.230 29.607 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.851 8.027 29.898 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.753 4.397 27.666 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.273 6.799 27.806 1.00 0.00 H new ATOM 377 N HIS A 30 4.682 2.024 33.311 1.00 0.00 N ATOM 378 CA HIS A 30 5.741 1.112 32.893 1.00 0.00 C ATOM 379 C HIS A 30 5.156 -0.191 32.357 1.00 0.00 C ATOM 380 O HIS A 30 4.825 -1.096 33.123 1.00 0.00 O ATOM 381 CB HIS A 30 6.682 0.819 34.062 1.00 0.00 C ATOM 382 CG HIS A 30 7.313 2.045 34.645 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.342 2.728 34.031 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.054 2.713 35.793 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.689 3.761 34.777 1.00 0.00 C ATOM 386 NE2 HIS A 30 7.923 3.775 35.852 1.00 0.00 N ATOM 0 H HIS A 30 4.227 1.769 34.188 1.00 0.00 H new ATOM 0 HA HIS A 30 6.305 1.592 32.094 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.127 0.300 34.843 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.467 0.142 33.725 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.768 2.475 33.140 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.303 2.458 36.527 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.467 4.473 34.547 1.00 0.00 H new ATOM 394 N ARG A 31 5.030 -0.278 31.037 1.00 0.00 N ATOM 395 CA ARG A 31 4.483 -1.469 30.398 1.00 0.00 C ATOM 396 C ARG A 31 5.236 -2.720 30.844 1.00 0.00 C ATOM 397 O ARG A 31 6.219 -2.636 31.580 1.00 0.00 O ATOM 398 CB ARG A 31 4.550 -1.335 28.876 1.00 0.00 C ATOM 399 CG ARG A 31 5.960 -1.133 28.345 1.00 0.00 C ATOM 400 CD ARG A 31 5.957 -0.354 27.039 1.00 0.00 C ATOM 401 NE ARG A 31 7.259 -0.386 26.379 1.00 0.00 N ATOM 402 CZ ARG A 31 8.290 0.365 26.749 1.00 0.00 C ATOM 403 NH1 ARG A 31 8.170 1.203 27.770 1.00 0.00 N ATOM 404 NH2 ARG A 31 9.443 0.279 26.099 1.00 0.00 N ATOM 0 H ARG A 31 5.299 0.462 30.389 1.00 0.00 H new ATOM 0 HA ARG A 31 3.440 -1.566 30.701 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.124 -2.230 28.422 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.930 -0.494 28.566 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.556 -0.601 29.086 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.434 -2.102 28.191 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.202 -0.769 26.371 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.675 0.681 27.235 1.00 0.00 H new ATOM 0 HE ARG A 31 7.384 -1.020 25.590 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.285 1.271 28.272 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.963 1.779 28.053 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.539 -0.365 25.314 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.234 0.857 26.385 1.00 0.00 H new ATOM 418 N PHE A 32 4.768 -3.878 30.392 1.00 0.00 N ATOM 419 CA PHE A 32 5.396 -5.146 30.744 1.00 0.00 C ATOM 420 C PHE A 32 6.701 -5.339 29.977 1.00 0.00 C ATOM 421 O PHE A 32 6.902 -4.786 28.895 1.00 0.00 O ATOM 422 CB PHE A 32 4.444 -6.309 30.455 1.00 0.00 C ATOM 423 CG PHE A 32 3.330 -6.434 31.454 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.510 -5.353 31.736 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.101 -7.633 32.110 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.485 -5.466 32.656 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.076 -7.751 33.030 1.00 0.00 C ATOM 428 CZ PHE A 32 1.266 -6.666 33.302 1.00 0.00 C ATOM 0 H PHE A 32 3.956 -3.965 29.781 1.00 0.00 H new ATOM 0 HA PHE A 32 5.622 -5.127 31.810 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.017 -6.180 29.461 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.013 -7.239 30.439 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.674 -4.412 31.231 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.731 -8.485 31.900 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.855 -4.615 32.870 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.909 -8.691 33.536 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.463 -6.756 34.019 1.00 0.00 H new ATOM 438 N PRO A 33 7.610 -6.142 30.549 1.00 0.00 N ATOM 439 CA PRO A 33 8.911 -6.427 29.937 1.00 0.00 C ATOM 440 C PRO A 33 8.787 -7.294 28.689 1.00 0.00 C ATOM 441 O PRO A 33 7.983 -8.225 28.644 1.00 0.00 O ATOM 442 CB PRO A 33 9.664 -7.179 31.038 1.00 0.00 C ATOM 443 CG PRO A 33 8.596 -7.793 31.876 1.00 0.00 C ATOM 444 CD PRO A 33 7.437 -6.834 31.837 1.00 0.00 C ATOM 0 HA PRO A 33 9.412 -5.518 29.603 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.324 -7.939 30.619 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.287 -6.503 31.624 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.308 -8.770 31.487 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.942 -7.946 32.898 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.482 -7.356 31.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.464 -6.137 32.675 1.00 0.00 H new ATOM 452 N LEU A 34 9.589 -6.982 27.676 1.00 0.00 N ATOM 453 CA LEU A 34 9.569 -7.734 26.426 1.00 0.00 C ATOM 454 C LEU A 34 10.290 -9.069 26.582 1.00 0.00 C ATOM 455 O LEU A 34 10.228 -9.926 25.700 1.00 0.00 O ATOM 456 CB LEU A 34 10.220 -6.917 25.307 1.00 0.00 C ATOM 457 CG LEU A 34 9.674 -5.504 25.104 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.223 -5.422 25.553 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.525 -4.490 25.855 1.00 0.00 C ATOM 0 H LEU A 34 10.260 -6.214 27.696 1.00 0.00 H new ATOM 0 HA LEU A 34 8.529 -7.932 26.166 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.289 -6.846 25.510 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.109 -7.466 24.372 1.00 0.00 H new ATOM 0 HG LEU A 34 9.717 -5.268 24.041 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.852 -4.409 25.401 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.622 -6.120 24.970 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.154 -5.679 26.610 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.121 -3.490 25.699 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.514 -4.724 26.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.550 -4.530 25.485 1.00 0.00 H new ATOM 471 N ASP A 35 10.972 -9.239 27.709 1.00 0.00 N ATOM 472 CA ASP A 35 11.702 -10.471 27.982 1.00 0.00 C ATOM 473 C ASP A 35 10.787 -11.518 28.609 1.00 0.00 C ATOM 474 O ASP A 35 9.850 -11.200 29.342 1.00 0.00 O ATOM 475 CB ASP A 35 12.887 -10.192 28.908 1.00 0.00 C ATOM 476 CG ASP A 35 14.204 -10.659 28.319 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.463 -10.362 27.134 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.976 -11.321 29.044 1.00 0.00 O ATOM 0 H ASP A 35 11.035 -8.539 28.448 1.00 0.00 H new ATOM 0 HA ASP A 35 12.074 -10.861 27.035 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.942 -9.122 29.111 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.723 -10.690 29.864 1.00 0.00 H new ATOM 483 N PRO A 36 11.061 -12.797 28.315 1.00 0.00 N ATOM 484 CA PRO A 36 10.273 -13.917 28.839 1.00 0.00 C ATOM 485 C PRO A 36 10.474 -14.116 30.338 1.00 0.00 C ATOM 486 O PRO A 36 9.531 -14.428 31.065 1.00 0.00 O ATOM 487 CB PRO A 36 10.809 -15.122 28.063 1.00 0.00 C ATOM 488 CG PRO A 36 12.194 -14.736 27.673 1.00 0.00 C ATOM 489 CD PRO A 36 12.162 -13.250 27.448 1.00 0.00 C ATOM 0 HA PRO A 36 9.202 -13.755 28.715 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.807 -16.022 28.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.196 -15.334 27.187 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.907 -14.997 28.455 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.506 -15.261 26.770 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.108 -12.782 27.722 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.976 -13.006 26.402 1.00 0.00 H new ATOM 497 N LYS A 37 11.709 -13.934 30.793 1.00 0.00 N ATOM 498 CA LYS A 37 12.035 -14.092 32.206 1.00 0.00 C ATOM 499 C LYS A 37 11.194 -13.154 33.066 1.00 0.00 C ATOM 500 O LYS A 37 10.617 -13.568 34.072 1.00 0.00 O ATOM 501 CB LYS A 37 13.522 -13.820 32.441 1.00 0.00 C ATOM 502 CG LYS A 37 14.434 -14.895 31.875 1.00 0.00 C ATOM 503 CD LYS A 37 15.329 -14.347 30.777 1.00 0.00 C ATOM 504 CE LYS A 37 16.315 -15.396 30.286 1.00 0.00 C ATOM 505 NZ LYS A 37 16.531 -15.309 28.815 1.00 0.00 N ATOM 0 H LYS A 37 12.501 -13.677 30.204 1.00 0.00 H new ATOM 0 HA LYS A 37 11.810 -15.119 32.492 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.783 -12.861 31.993 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.701 -13.730 33.512 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.049 -15.309 32.674 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.832 -15.713 31.480 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.716 -14.004 29.944 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.874 -13.480 31.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.267 -15.269 30.801 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.945 -16.389 30.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.209 -16.040 28.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.627 -15.456 28.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.908 -14.370 28.574 1.00 0.00 H new ATOM 519 N ARG A 38 11.128 -11.889 32.664 1.00 0.00 N ATOM 520 CA ARG A 38 10.357 -10.893 33.398 1.00 0.00 C ATOM 521 C ARG A 38 8.880 -10.963 33.023 1.00 0.00 C ATOM 522 O ARG A 38 8.008 -10.973 33.892 1.00 0.00 O ATOM 523 CB ARG A 38 10.899 -9.490 33.118 1.00 0.00 C ATOM 524 CG ARG A 38 12.414 -9.395 33.196 1.00 0.00 C ATOM 525 CD ARG A 38 12.919 -9.692 34.599 1.00 0.00 C ATOM 526 NE ARG A 38 14.354 -9.963 34.617 1.00 0.00 N ATOM 527 CZ ARG A 38 15.010 -10.375 35.696 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.363 -10.563 36.838 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.316 -10.601 35.634 1.00 0.00 N ATOM 0 H ARG A 38 11.599 -11.530 31.834 1.00 0.00 H new ATOM 0 HA ARG A 38 10.454 -11.108 34.462 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.574 -9.176 32.126 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.462 -8.792 33.832 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.860 -10.097 32.491 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.733 -8.397 32.897 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.702 -8.845 35.250 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.383 -10.550 35.003 1.00 0.00 H new ATOM 0 HE ARG A 38 14.881 -9.829 33.754 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.359 -10.391 36.890 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.869 -10.879 37.665 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.817 -10.458 34.757 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.819 -10.917 36.463 1.00 0.00 H new ATOM 543 N ARG A 39 8.606 -11.012 31.723 1.00 0.00 N ATOM 544 CA ARG A 39 7.235 -11.080 31.232 1.00 0.00 C ATOM 545 C ARG A 39 6.390 -12.001 32.107 1.00 0.00 C ATOM 546 O ARG A 39 5.321 -11.617 32.581 1.00 0.00 O ATOM 547 CB ARG A 39 7.213 -11.572 29.784 1.00 0.00 C ATOM 548 CG ARG A 39 5.813 -11.833 29.251 1.00 0.00 C ATOM 549 CD ARG A 39 5.740 -13.156 28.504 1.00 0.00 C ATOM 550 NE ARG A 39 4.389 -13.710 28.504 1.00 0.00 N ATOM 551 CZ ARG A 39 4.097 -14.936 28.085 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.057 -15.732 27.635 1.00 0.00 N ATOM 553 NH2 ARG A 39 2.843 -15.369 28.116 1.00 0.00 N ATOM 0 H ARG A 39 9.316 -11.006 30.991 1.00 0.00 H new ATOM 0 HA ARG A 39 6.810 -10.077 31.274 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.702 -10.832 29.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.797 -12.489 29.712 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.103 -11.841 30.078 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.518 -11.021 28.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.072 -13.011 27.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.425 -13.870 28.963 1.00 0.00 H new ATOM 0 HE ARG A 39 3.628 -13.123 28.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.022 -15.403 27.610 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.830 -16.673 27.314 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.102 -14.760 28.462 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.621 -16.311 27.794 1.00 0.00 H new ATOM 567 N LYS A 40 6.876 -13.220 32.316 1.00 0.00 N ATOM 568 CA LYS A 40 6.167 -14.197 33.134 1.00 0.00 C ATOM 569 C LYS A 40 6.077 -13.731 34.584 1.00 0.00 C ATOM 570 O LYS A 40 5.123 -14.053 35.290 1.00 0.00 O ATOM 571 CB LYS A 40 6.870 -15.555 33.067 1.00 0.00 C ATOM 572 CG LYS A 40 7.054 -16.075 31.651 1.00 0.00 C ATOM 573 CD LYS A 40 8.182 -17.090 31.573 1.00 0.00 C ATOM 574 CE LYS A 40 7.847 -18.356 32.346 1.00 0.00 C ATOM 575 NZ LYS A 40 6.854 -19.200 31.626 1.00 0.00 N ATOM 0 H LYS A 40 7.759 -13.555 31.930 1.00 0.00 H new ATOM 0 HA LYS A 40 5.156 -14.298 32.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.846 -15.473 33.545 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.294 -16.282 33.640 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.127 -16.533 31.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.266 -15.242 30.981 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.376 -17.340 30.530 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.097 -16.651 31.971 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.758 -18.931 32.514 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.453 -18.089 33.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.678 -20.069 32.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.964 -18.673 31.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.225 -19.448 30.687 1.00 0.00 H new ATOM 589 N GLU A 41 7.076 -12.969 35.019 1.00 0.00 N ATOM 590 CA GLU A 41 7.108 -12.459 36.384 1.00 0.00 C ATOM 591 C GLU A 41 6.028 -11.402 36.595 1.00 0.00 C ATOM 592 O GLU A 41 5.123 -11.578 37.410 1.00 0.00 O ATOM 593 CB GLU A 41 8.484 -11.868 36.699 1.00 0.00 C ATOM 594 CG GLU A 41 9.369 -12.790 37.520 1.00 0.00 C ATOM 595 CD GLU A 41 8.664 -13.338 38.745 1.00 0.00 C ATOM 596 OE1 GLU A 41 7.772 -12.645 39.277 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.004 -14.461 39.173 1.00 0.00 O ATOM 0 H GLU A 41 7.873 -12.692 34.446 1.00 0.00 H new ATOM 0 HA GLU A 41 6.915 -13.291 37.060 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.991 -11.630 35.764 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.352 -10.930 37.238 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.701 -13.619 36.896 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.262 -12.248 37.832 1.00 0.00 H new ATOM 604 N TRP A 42 6.131 -10.303 35.855 1.00 0.00 N ATOM 605 CA TRP A 42 5.164 -9.217 35.961 1.00 0.00 C ATOM 606 C TRP A 42 3.741 -9.760 36.030 1.00 0.00 C ATOM 607 O TRP A 42 2.868 -9.163 36.661 1.00 0.00 O ATOM 608 CB TRP A 42 5.303 -8.265 34.772 1.00 0.00 C ATOM 609 CG TRP A 42 6.472 -7.336 34.889 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.786 -7.684 35.022 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.433 -5.904 34.885 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.566 -6.556 35.101 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.760 -5.451 35.018 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.407 -4.962 34.779 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.085 -4.097 35.050 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.731 -3.619 34.811 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.060 -3.196 34.945 1.00 0.00 C ATOM 0 H TRP A 42 6.874 -10.141 35.176 1.00 0.00 H new ATOM 0 HA TRP A 42 5.369 -8.670 36.881 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.403 -8.850 33.857 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.390 -7.678 34.677 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.157 -8.697 35.060 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.581 -6.543 35.205 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.379 -5.277 34.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.109 -3.770 35.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.946 -2.882 34.731 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.280 -2.139 34.966 1.00 0.00 H new ATOM 628 N VAL A 43 3.513 -10.896 35.378 1.00 0.00 N ATOM 629 CA VAL A 43 2.195 -11.520 35.367 1.00 0.00 C ATOM 630 C VAL A 43 2.027 -12.470 36.547 1.00 0.00 C ATOM 631 O VAL A 43 0.934 -12.609 37.094 1.00 0.00 O ATOM 632 CB VAL A 43 1.953 -12.296 34.058 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.537 -12.850 34.021 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.218 -11.405 32.854 1.00 0.00 C ATOM 0 H VAL A 43 4.224 -11.403 34.851 1.00 0.00 H new ATOM 0 HA VAL A 43 1.463 -10.716 35.445 1.00 0.00 H new ATOM 0 HB VAL A 43 2.647 -13.135 34.019 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.384 -13.395 33.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.388 -13.524 34.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.177 -12.029 34.082 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.042 -11.969 31.938 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.550 -10.544 32.884 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.252 -11.062 32.876 1.00 0.00 H new ATOM 644 N ARG A 44 3.119 -13.123 36.934 1.00 0.00 N ATOM 645 CA ARG A 44 3.092 -14.061 38.050 1.00 0.00 C ATOM 646 C ARG A 44 2.997 -13.321 39.381 1.00 0.00 C ATOM 647 O ARG A 44 2.580 -13.889 40.391 1.00 0.00 O ATOM 648 CB ARG A 44 4.343 -14.942 38.032 1.00 0.00 C ATOM 649 CG ARG A 44 4.893 -15.246 39.416 1.00 0.00 C ATOM 650 CD ARG A 44 3.934 -16.111 40.219 1.00 0.00 C ATOM 651 NE ARG A 44 4.412 -17.485 40.348 1.00 0.00 N ATOM 652 CZ ARG A 44 5.463 -17.832 41.081 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.143 -16.910 41.749 1.00 0.00 N ATOM 654 NH2 ARG A 44 5.837 -19.103 41.148 1.00 0.00 N ATOM 0 H ARG A 44 4.032 -13.020 36.491 1.00 0.00 H new ATOM 0 HA ARG A 44 2.209 -14.691 37.941 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.109 -15.880 37.529 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.116 -14.449 37.443 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.853 -15.754 39.324 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.076 -14.313 39.949 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.801 -15.679 41.211 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.956 -16.111 39.737 1.00 0.00 H new ATOM 0 HE ARG A 44 3.911 -18.219 39.847 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.859 -15.932 41.700 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.950 -17.179 42.311 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.317 -19.815 40.636 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.645 -19.368 41.712 1.00 0.00 H new ATOM 668 N LEU A 45 3.387 -12.051 39.375 1.00 0.00 N ATOM 669 CA LEU A 45 3.347 -11.232 40.581 1.00 0.00 C ATOM 670 C LEU A 45 1.965 -10.617 40.776 1.00 0.00 C ATOM 671 O LEU A 45 1.345 -10.777 41.828 1.00 0.00 O ATOM 672 CB LEU A 45 4.403 -10.128 40.508 1.00 0.00 C ATOM 673 CG LEU A 45 5.860 -10.591 40.529 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.703 -9.743 39.589 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.418 -10.535 41.944 1.00 0.00 C ATOM 0 H LEU A 45 3.735 -11.566 38.548 1.00 0.00 H new ATOM 0 HA LEU A 45 3.562 -11.876 41.434 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.238 -9.555 39.596 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.247 -9.447 41.345 1.00 0.00 H new ATOM 0 HG LEU A 45 5.897 -11.625 40.186 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.737 -10.087 39.617 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.318 -9.834 38.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.659 -8.700 39.902 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.456 -10.868 41.939 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.367 -9.511 42.315 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.831 -11.185 42.593 1.00 0.00 H new ATOM 687 N VAL A 46 1.486 -9.915 39.754 1.00 0.00 N ATOM 688 CA VAL A 46 0.175 -9.279 39.811 1.00 0.00 C ATOM 689 C VAL A 46 -0.909 -10.286 40.177 1.00 0.00 C ATOM 690 O VAL A 46 -2.017 -9.910 40.559 1.00 0.00 O ATOM 691 CB VAL A 46 -0.187 -8.617 38.468 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.009 -9.596 37.321 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.616 -8.097 38.499 1.00 0.00 C ATOM 0 H VAL A 46 1.986 -9.772 38.877 1.00 0.00 H new ATOM 0 HA VAL A 46 0.229 -8.511 40.583 1.00 0.00 H new ATOM 0 HB VAL A 46 0.480 -7.770 38.308 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.252 -9.111 36.380 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.051 -9.915 37.289 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.632 -10.465 37.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.855 -7.632 37.542 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.301 -8.925 38.681 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.718 -7.360 39.296 1.00 0.00 H new ATOM 703 N ARG A 47 -0.582 -11.569 40.058 1.00 0.00 N ATOM 704 CA ARG A 47 -1.529 -12.631 40.375 1.00 0.00 C ATOM 705 C ARG A 47 -2.949 -12.227 39.992 1.00 0.00 C ATOM 706 O ARG A 47 -3.753 -11.858 40.848 1.00 0.00 O ATOM 707 CB ARG A 47 -1.468 -12.969 41.866 1.00 0.00 C ATOM 708 CG ARG A 47 -0.777 -14.289 42.164 1.00 0.00 C ATOM 709 CD ARG A 47 -1.634 -15.474 41.748 1.00 0.00 C ATOM 710 NE ARG A 47 -0.826 -16.637 41.393 1.00 0.00 N ATOM 711 CZ ARG A 47 -1.276 -17.649 40.660 1.00 0.00 C ATOM 712 NH1 ARG A 47 -2.522 -17.641 40.207 1.00 0.00 N ATOM 713 NH2 ARG A 47 -0.479 -18.672 40.379 1.00 0.00 N ATOM 0 H ARG A 47 0.331 -11.898 39.744 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.253 -13.513 39.797 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.945 -12.169 42.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.482 -13.002 42.264 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.178 -14.327 41.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.558 -14.354 43.230 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.309 -15.737 42.563 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.255 -15.191 40.898 1.00 0.00 H new ATOM 0 HE ARG A 47 0.137 -16.674 41.726 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.138 -16.856 40.421 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.865 -18.419 39.644 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.480 -18.682 40.726 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.825 -19.449 39.816 1.00 0.00 H new ATOM 727 N ARG A 48 -3.251 -12.298 38.699 1.00 0.00 N ATOM 728 CA ARG A 48 -4.573 -11.938 38.202 1.00 0.00 C ATOM 729 C ARG A 48 -5.196 -13.095 37.426 1.00 0.00 C ATOM 730 O ARG A 48 -5.981 -12.885 36.501 1.00 0.00 O ATOM 731 CB ARG A 48 -4.485 -10.699 37.308 1.00 0.00 C ATOM 732 CG ARG A 48 -4.697 -9.393 38.055 1.00 0.00 C ATOM 733 CD ARG A 48 -6.176 -9.098 38.254 1.00 0.00 C ATOM 734 NE ARG A 48 -6.942 -9.289 37.025 1.00 0.00 N ATOM 735 CZ ARG A 48 -8.256 -9.477 37.000 1.00 0.00 C ATOM 736 NH1 ARG A 48 -8.948 -9.499 38.131 1.00 0.00 N ATOM 737 NH2 ARG A 48 -8.882 -9.643 35.841 1.00 0.00 N ATOM 0 H ARG A 48 -2.597 -12.602 37.977 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.208 -11.715 39.060 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.507 -10.678 36.826 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.229 -10.779 36.516 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.201 -9.443 39.024 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.233 -8.577 37.501 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.574 -9.748 39.034 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.298 -8.072 38.601 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.440 -9.277 36.137 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.471 -9.371 39.023 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.957 -9.644 38.109 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.353 -9.626 34.969 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.892 -9.787 35.823 1.00 0.00 H new ATOM 751 N LYS A 49 -4.841 -14.316 37.810 1.00 0.00 N ATOM 752 CA LYS A 49 -5.365 -15.507 37.152 1.00 0.00 C ATOM 753 C LYS A 49 -4.644 -15.761 35.832 1.00 0.00 C ATOM 754 O LYS A 49 -3.491 -15.370 35.658 1.00 0.00 O ATOM 755 CB LYS A 49 -6.868 -15.359 36.905 1.00 0.00 C ATOM 756 CG LYS A 49 -7.664 -16.611 37.232 1.00 0.00 C ATOM 757 CD LYS A 49 -8.741 -16.332 38.266 1.00 0.00 C ATOM 758 CE LYS A 49 -10.012 -15.803 37.619 1.00 0.00 C ATOM 759 NZ LYS A 49 -9.718 -14.802 36.557 1.00 0.00 N ATOM 0 H LYS A 49 -4.192 -14.507 38.574 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.194 -16.360 37.809 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.246 -14.531 37.504 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.032 -15.097 35.860 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.123 -16.999 36.323 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.992 -17.384 37.605 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.965 -17.246 38.816 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.372 -15.607 38.991 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.574 -16.633 37.190 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.646 -15.349 38.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.609 -14.403 36.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.131 -14.039 36.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.207 -15.263 35.777 1.00 0.00 H new ATOM 773 N ASN A 50 -5.333 -16.417 34.903 1.00 0.00 N ATOM 774 CA ASN A 50 -4.759 -16.722 33.598 1.00 0.00 C ATOM 775 C ASN A 50 -4.739 -15.482 32.709 1.00 0.00 C ATOM 776 O ASN A 50 -5.256 -15.498 31.592 1.00 0.00 O ATOM 777 CB ASN A 50 -5.552 -17.839 32.917 1.00 0.00 C ATOM 778 CG ASN A 50 -5.130 -18.053 31.476 1.00 0.00 C ATOM 779 OD1 ASN A 50 -5.960 -18.321 30.608 1.00 0.00 O ATOM 780 ND2 ASN A 50 -3.833 -17.934 31.216 1.00 0.00 N ATOM 0 H ASN A 50 -6.290 -16.747 35.030 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.732 -17.055 33.750 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.418 -18.767 33.473 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.615 -17.598 32.949 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.489 -18.066 30.265 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.181 -17.710 31.968 1.00 0.00 H new ATOM 787 N PHE A 51 -4.140 -14.409 33.213 1.00 0.00 N ATOM 788 CA PHE A 51 -4.053 -13.160 32.466 1.00 0.00 C ATOM 789 C PHE A 51 -2.690 -13.022 31.793 1.00 0.00 C ATOM 790 O PHE A 51 -1.659 -13.352 32.379 1.00 0.00 O ATOM 791 CB PHE A 51 -4.299 -11.968 33.393 1.00 0.00 C ATOM 792 CG PHE A 51 -3.304 -10.856 33.217 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.131 -10.836 33.954 1.00 0.00 C ATOM 794 CD2 PHE A 51 -3.542 -9.832 32.316 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.213 -9.815 33.795 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.628 -8.808 32.151 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.462 -8.799 32.893 1.00 0.00 C ATOM 0 H PHE A 51 -3.707 -14.379 34.136 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.821 -13.175 31.693 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.302 -11.579 33.214 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.270 -12.310 34.427 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.932 -11.628 34.661 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.453 -9.833 31.735 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.302 -9.812 34.375 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.825 -8.016 31.443 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.747 -7.999 32.768 1.00 0.00 H new ATOM 807 N VAL A 52 -2.694 -12.533 30.557 1.00 0.00 N ATOM 808 CA VAL A 52 -1.459 -12.351 29.803 1.00 0.00 C ATOM 809 C VAL A 52 -1.379 -10.949 29.210 1.00 0.00 C ATOM 810 O VAL A 52 -2.385 -10.350 28.829 1.00 0.00 O ATOM 811 CB VAL A 52 -1.338 -13.384 28.667 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.954 -12.701 27.363 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.327 -14.461 29.032 1.00 0.00 C ATOM 0 H VAL A 52 -3.538 -12.256 30.057 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.636 -12.494 30.504 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.308 -13.861 28.528 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.873 -13.446 26.572 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.718 -11.970 27.096 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.004 -12.196 27.485 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.254 -15.182 28.218 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.648 -14.003 29.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.650 -14.970 29.940 1.00 0.00 H new ATOM 823 N PRO A 53 -0.153 -10.410 29.130 1.00 0.00 N ATOM 824 CA PRO A 53 0.088 -9.071 28.584 1.00 0.00 C ATOM 825 C PRO A 53 -0.145 -9.009 27.078 1.00 0.00 C ATOM 826 O PRO A 53 0.377 -9.829 26.325 1.00 0.00 O ATOM 827 CB PRO A 53 1.563 -8.817 28.907 1.00 0.00 C ATOM 828 CG PRO A 53 2.167 -10.174 29.011 1.00 0.00 C ATOM 829 CD PRO A 53 1.091 -11.066 29.565 1.00 0.00 C ATOM 0 HA PRO A 53 -0.590 -8.330 29.008 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.044 -8.229 28.126 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.674 -8.262 29.838 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.503 -10.527 28.036 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.040 -10.164 29.664 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.169 -12.080 29.173 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.149 -11.138 30.651 1.00 0.00 H new ATOM 837 N GLY A 54 -0.932 -8.028 26.646 1.00 0.00 N ATOM 838 CA GLY A 54 -1.220 -7.877 25.231 1.00 0.00 C ATOM 839 C GLY A 54 -0.766 -6.537 24.687 1.00 0.00 C ATOM 840 O GLY A 54 0.260 -6.448 24.012 1.00 0.00 O ATOM 0 H GLY A 54 -1.375 -7.336 27.250 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.729 -8.676 24.676 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.292 -7.988 25.068 1.00 0.00 H new ATOM 844 N LYS A 55 -1.531 -5.491 24.980 1.00 0.00 N ATOM 845 CA LYS A 55 -1.203 -4.149 24.515 1.00 0.00 C ATOM 846 C LYS A 55 -1.388 -3.126 25.632 1.00 0.00 C ATOM 847 O LYS A 55 -0.425 -2.511 26.090 1.00 0.00 O ATOM 848 CB LYS A 55 -2.077 -3.774 23.316 1.00 0.00 C ATOM 849 CG LYS A 55 -2.340 -4.932 22.369 1.00 0.00 C ATOM 850 CD LYS A 55 -3.551 -5.742 22.801 1.00 0.00 C ATOM 851 CE LYS A 55 -4.829 -5.214 22.167 1.00 0.00 C ATOM 852 NZ LYS A 55 -5.432 -6.202 21.230 1.00 0.00 N ATOM 0 H LYS A 55 -2.383 -5.547 25.538 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.157 -4.143 24.210 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.030 -3.388 23.678 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.595 -2.967 22.764 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.498 -4.550 21.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.463 -5.579 22.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.410 -6.786 22.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.642 -5.711 23.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.548 -4.969 22.949 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.614 -4.290 21.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.301 -5.805 20.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.756 -6.417 20.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.661 -7.075 21.746 1.00 0.00 H new ATOM 866 N HIS A 56 -2.632 -2.951 26.068 1.00 0.00 N ATOM 867 CA HIS A 56 -2.942 -2.004 27.133 1.00 0.00 C ATOM 868 C HIS A 56 -2.667 -2.618 28.502 1.00 0.00 C ATOM 869 O HIS A 56 -3.570 -2.752 29.328 1.00 0.00 O ATOM 870 CB HIS A 56 -4.404 -1.564 27.043 1.00 0.00 C ATOM 871 CG HIS A 56 -4.993 -1.718 25.675 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.531 -1.027 24.575 1.00 0.00 N ATOM 873 CD2 HIS A 56 -6.011 -2.492 25.231 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.241 -1.367 23.514 1.00 0.00 C ATOM 875 NE2 HIS A 56 -6.145 -2.255 23.885 1.00 0.00 N ATOM 0 H HIS A 56 -3.441 -3.452 25.700 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.300 -1.132 27.009 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.994 -2.146 27.751 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.480 -0.520 27.347 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.607 -3.170 25.825 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.105 -0.984 22.513 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.832 -2.694 23.271 1.00 0.00 H new ATOM 883 N THR A 57 -1.412 -2.989 28.737 1.00 0.00 N ATOM 884 CA THR A 57 -1.017 -3.590 30.005 1.00 0.00 C ATOM 885 C THR A 57 0.115 -2.805 30.657 1.00 0.00 C ATOM 886 O THR A 57 1.262 -2.868 30.214 1.00 0.00 O ATOM 887 CB THR A 57 -0.572 -5.053 29.819 1.00 0.00 C ATOM 888 OG1 THR A 57 -0.695 -5.431 28.443 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.406 -5.987 30.683 1.00 0.00 C ATOM 0 H THR A 57 -0.652 -2.884 28.065 1.00 0.00 H new ATOM 0 HA THR A 57 -1.893 -3.564 30.653 1.00 0.00 H new ATOM 0 HB THR A 57 0.471 -5.134 30.126 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.018 -6.106 28.228 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.073 -7.014 30.534 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.287 -5.715 31.732 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.456 -5.902 30.403 1.00 0.00 H new ATOM 897 N PHE A 58 -0.213 -2.067 31.712 1.00 0.00 N ATOM 898 CA PHE A 58 0.777 -1.269 32.425 1.00 0.00 C ATOM 899 C PHE A 58 0.562 -1.355 33.933 1.00 0.00 C ATOM 900 O PHE A 58 -0.511 -1.742 34.397 1.00 0.00 O ATOM 901 CB PHE A 58 0.710 0.191 31.971 1.00 0.00 C ATOM 902 CG PHE A 58 0.269 1.135 33.053 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.179 1.625 33.976 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.054 1.533 33.147 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.777 2.493 34.973 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.463 2.401 34.142 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.546 2.883 35.056 1.00 0.00 C ATOM 0 H PHE A 58 -1.157 -2.005 32.092 1.00 0.00 H new ATOM 0 HA PHE A 58 1.764 -1.669 32.193 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.692 0.497 31.611 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.023 0.270 31.128 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.215 1.325 33.915 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.775 1.161 32.434 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.496 2.866 35.687 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.498 2.702 34.205 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.862 3.563 35.833 1.00 0.00 H new ATOM 917 N LEU A 59 1.590 -0.993 34.692 1.00 0.00 N ATOM 918 CA LEU A 59 1.515 -1.030 36.149 1.00 0.00 C ATOM 919 C LEU A 59 2.050 0.264 36.754 1.00 0.00 C ATOM 920 O LEU A 59 3.039 0.822 36.278 1.00 0.00 O ATOM 921 CB LEU A 59 2.303 -2.224 36.690 1.00 0.00 C ATOM 922 CG LEU A 59 1.519 -3.526 36.857 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.344 -4.553 37.617 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.200 -3.266 37.570 1.00 0.00 C ATOM 0 H LEU A 59 2.485 -0.671 34.324 1.00 0.00 H new ATOM 0 HA LEU A 59 0.468 -1.136 36.432 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.143 -2.412 36.021 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.722 -1.949 37.658 1.00 0.00 H new ATOM 0 HG LEU A 59 1.302 -3.926 35.867 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.769 -5.473 37.726 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.262 -4.761 37.067 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.593 -4.162 38.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.345 -4.204 37.680 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.396 -2.842 38.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.397 -2.566 36.986 1.00 0.00 H new ATOM 936 N CYS A 60 1.392 0.734 37.809 1.00 0.00 N ATOM 937 CA CYS A 60 1.802 1.961 38.481 1.00 0.00 C ATOM 938 C CYS A 60 3.186 1.803 39.106 1.00 0.00 C ATOM 939 O CYS A 60 3.535 0.732 39.603 1.00 0.00 O ATOM 940 CB CYS A 60 0.785 2.341 39.559 1.00 0.00 C ATOM 941 SG CYS A 60 -0.949 2.256 39.007 1.00 0.00 S ATOM 0 H CYS A 60 0.573 0.283 38.217 1.00 0.00 H new ATOM 0 HA CYS A 60 1.847 2.756 37.736 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.915 1.680 40.416 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.997 3.354 39.903 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.269 1.018 38.771 1.00 0.00 H new ATOM 946 N SER A 61 3.968 2.877 39.077 1.00 0.00 N ATOM 947 CA SER A 61 5.315 2.857 39.636 1.00 0.00 C ATOM 948 C SER A 61 5.269 2.846 41.161 1.00 0.00 C ATOM 949 O SER A 61 6.190 2.362 41.818 1.00 0.00 O ATOM 950 CB SER A 61 6.111 4.068 39.147 1.00 0.00 C ATOM 951 OG SER A 61 5.252 5.150 38.832 1.00 0.00 O ATOM 0 H SER A 61 3.692 3.772 38.673 1.00 0.00 H new ATOM 0 HA SER A 61 5.809 1.946 39.298 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.821 4.375 39.915 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.693 3.793 38.267 1.00 0.00 H new ATOM 0 HG SER A 61 5.507 5.528 37.964 1.00 0.00 H new ATOM 957 N LYS A 62 4.189 3.384 41.718 1.00 0.00 N ATOM 958 CA LYS A 62 4.020 3.437 43.165 1.00 0.00 C ATOM 959 C LYS A 62 4.295 2.075 43.795 1.00 0.00 C ATOM 960 O LYS A 62 4.879 1.987 44.876 1.00 0.00 O ATOM 961 CB LYS A 62 2.604 3.897 43.517 1.00 0.00 C ATOM 962 CG LYS A 62 1.630 2.752 43.738 1.00 0.00 C ATOM 963 CD LYS A 62 0.189 3.233 43.713 1.00 0.00 C ATOM 964 CE LYS A 62 -0.168 3.990 44.984 1.00 0.00 C ATOM 965 NZ LYS A 62 -1.003 5.189 44.698 1.00 0.00 N ATOM 0 H LYS A 62 3.417 3.790 41.189 1.00 0.00 H new ATOM 0 HA LYS A 62 4.738 4.154 43.564 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.643 4.509 44.418 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.228 4.533 42.716 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.775 1.995 42.967 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.839 2.275 44.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.035 3.878 42.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.479 2.379 43.597 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.704 3.327 45.663 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.746 4.297 45.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.225 5.678 45.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.481 5.834 44.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.886 4.894 44.235 1.00 0.00 H new ATOM 979 N HIS A 63 3.873 1.016 43.112 1.00 0.00 N ATOM 980 CA HIS A 63 4.077 -0.342 43.604 1.00 0.00 C ATOM 981 C HIS A 63 5.557 -0.711 43.585 1.00 0.00 C ATOM 982 O HIS A 63 6.049 -1.391 44.486 1.00 0.00 O ATOM 983 CB HIS A 63 3.280 -1.337 42.761 1.00 0.00 C ATOM 984 CG HIS A 63 1.870 -0.905 42.496 1.00 0.00 C ATOM 985 ND1 HIS A 63 0.916 -0.803 43.486 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.256 -0.546 41.345 1.00 0.00 C ATOM 987 CE1 HIS A 63 -0.225 -0.402 42.955 1.00 0.00 C ATOM 988 NE2 HIS A 63 -0.045 -0.238 41.657 1.00 0.00 N ATOM 0 H HIS A 63 3.388 1.072 42.217 1.00 0.00 H new ATOM 0 HA HIS A 63 3.724 -0.385 44.634 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.791 -1.485 41.809 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.266 -2.301 43.269 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.706 -0.509 40.364 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.148 -0.236 43.491 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.757 0.068 40.994 1.00 0.00 H new ATOM 996 N PHE A 64 6.261 -0.258 42.553 1.00 0.00 N ATOM 997 CA PHE A 64 7.685 -0.542 42.416 1.00 0.00 C ATOM 998 C PHE A 64 8.491 0.191 43.484 1.00 0.00 C ATOM 999 O PHE A 64 8.017 1.158 44.079 1.00 0.00 O ATOM 1000 CB PHE A 64 8.175 -0.139 41.024 1.00 0.00 C ATOM 1001 CG PHE A 64 7.894 -1.169 39.967 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.624 -1.301 39.430 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.901 -2.005 39.511 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.363 -2.248 38.458 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.646 -2.954 38.540 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.375 -3.075 38.012 1.00 0.00 C ATOM 0 H PHE A 64 5.869 0.307 41.800 1.00 0.00 H new ATOM 0 HA PHE A 64 7.831 -1.614 42.548 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.702 0.801 40.739 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.249 0.044 41.065 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.829 -0.657 39.775 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.897 -1.913 39.919 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.368 -2.341 38.048 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.439 -3.600 38.194 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.173 -3.815 37.252 1.00 0.00 H new ATOM 1016 N GLU A 65 9.713 -0.277 43.720 1.00 0.00 N ATOM 1017 CA GLU A 65 10.585 0.333 44.717 1.00 0.00 C ATOM 1018 C GLU A 65 11.323 1.534 44.132 1.00 0.00 C ATOM 1019 O GLU A 65 11.893 2.342 44.864 1.00 0.00 O ATOM 1020 CB GLU A 65 11.591 -0.692 45.243 1.00 0.00 C ATOM 1021 CG GLU A 65 11.297 -1.165 46.657 1.00 0.00 C ATOM 1022 CD GLU A 65 12.499 -1.048 47.573 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.625 -1.333 47.115 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.313 -0.671 48.749 1.00 0.00 O ATOM 0 H GLU A 65 10.121 -1.076 43.235 1.00 0.00 H new ATOM 0 HA GLU A 65 9.964 0.678 45.544 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.601 -1.554 44.576 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.589 -0.256 45.215 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.474 -0.581 47.068 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.967 -2.203 46.627 1.00 0.00 H new ATOM 1031 N ALA A 66 11.308 1.642 42.808 1.00 0.00 N ATOM 1032 CA ALA A 66 11.975 2.743 42.124 1.00 0.00 C ATOM 1033 C ALA A 66 13.479 2.507 42.039 1.00 0.00 C ATOM 1034 O ALA A 66 14.188 3.211 41.320 1.00 0.00 O ATOM 1035 CB ALA A 66 11.684 4.058 42.833 1.00 0.00 C ATOM 0 H ALA A 66 10.841 0.981 42.187 1.00 0.00 H new ATOM 0 HA ALA A 66 11.585 2.796 41.108 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.188 4.872 42.312 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.609 4.240 42.836 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.046 4.006 43.860 1.00 0.00 H new ATOM 1041 N SER A 67 13.960 1.514 42.780 1.00 0.00 N ATOM 1042 CA SER A 67 15.381 1.188 42.792 1.00 0.00 C ATOM 1043 C SER A 67 15.754 0.339 41.580 1.00 0.00 C ATOM 1044 O SER A 67 16.913 -0.042 41.409 1.00 0.00 O ATOM 1045 CB SER A 67 15.745 0.447 44.079 1.00 0.00 C ATOM 1046 OG SER A 67 17.134 0.167 44.131 1.00 0.00 O ATOM 0 H SER A 67 13.386 0.921 43.380 1.00 0.00 H new ATOM 0 HA SER A 67 15.943 2.121 42.747 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.460 1.049 44.942 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.181 -0.484 44.139 1.00 0.00 H new ATOM 0 HG SER A 67 17.496 0.138 43.221 1.00 0.00 H new ATOM 1052 N CYS A 68 14.765 0.048 40.743 1.00 0.00 N ATOM 1053 CA CYS A 68 14.988 -0.756 39.546 1.00 0.00 C ATOM 1054 C CYS A 68 15.082 0.127 38.307 1.00 0.00 C ATOM 1055 O CYS A 68 15.255 -0.365 37.192 1.00 0.00 O ATOM 1056 CB CYS A 68 13.861 -1.776 39.376 1.00 0.00 C ATOM 1057 SG CYS A 68 12.699 -1.832 40.760 1.00 0.00 S ATOM 0 H CYS A 68 13.801 0.356 40.871 1.00 0.00 H new ATOM 0 HA CYS A 68 15.934 -1.285 39.664 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.311 -1.545 38.464 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.298 -2.765 39.243 1.00 0.00 H new ATOM 0 HG CYS A 68 11.782 -2.722 40.521 1.00 0.00 H new ATOM 1063 N PHE A 69 14.966 1.436 38.509 1.00 0.00 N ATOM 1064 CA PHE A 69 15.036 2.389 37.408 1.00 0.00 C ATOM 1065 C PHE A 69 16.486 2.698 37.047 1.00 0.00 C ATOM 1066 O PHE A 69 17.415 2.168 37.657 1.00 0.00 O ATOM 1067 CB PHE A 69 14.304 3.681 37.776 1.00 0.00 C ATOM 1068 CG PHE A 69 12.812 3.526 37.843 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.238 2.549 38.640 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.982 4.358 37.108 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.865 2.404 38.704 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.609 4.218 37.168 1.00 0.00 C ATOM 1073 CZ PHE A 69 10.049 3.239 37.966 1.00 0.00 C ATOM 0 H PHE A 69 14.823 1.860 39.425 1.00 0.00 H new ATOM 0 HA PHE A 69 14.552 1.940 36.541 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.668 4.033 38.741 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.549 4.449 37.043 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.871 1.893 39.218 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.414 5.124 36.481 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.431 1.639 39.330 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.973 4.874 36.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.976 3.127 38.013 1.00 0.00 H new ATOM 1083 N ASP A 70 16.671 3.557 36.051 1.00 0.00 N ATOM 1084 CA ASP A 70 18.008 3.938 35.608 1.00 0.00 C ATOM 1085 C ASP A 70 18.372 5.330 36.114 1.00 0.00 C ATOM 1086 O ASP A 70 17.956 6.339 35.542 1.00 0.00 O ATOM 1087 CB ASP A 70 18.093 3.898 34.081 1.00 0.00 C ATOM 1088 CG ASP A 70 19.421 3.356 33.590 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.673 2.148 33.774 1.00 0.00 O ATOM 1090 OD2 ASP A 70 20.208 4.141 33.020 1.00 0.00 O ATOM 0 H ASP A 70 15.913 4.003 35.535 1.00 0.00 H new ATOM 0 HA ASP A 70 18.719 3.223 36.023 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.285 3.279 33.691 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.945 4.903 33.685 1.00 0.00 H new ATOM 1095 N LEU A 71 19.150 5.378 37.189 1.00 0.00 N ATOM 1096 CA LEU A 71 19.570 6.647 37.774 1.00 0.00 C ATOM 1097 C LEU A 71 21.074 6.845 37.622 1.00 0.00 C ATOM 1098 O LEU A 71 21.552 7.971 37.476 1.00 0.00 O ATOM 1099 CB LEU A 71 19.183 6.703 39.253 1.00 0.00 C ATOM 1100 CG LEU A 71 17.784 6.192 39.600 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.775 4.673 39.677 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.306 6.796 40.913 1.00 0.00 C ATOM 0 H LEU A 71 19.503 4.553 37.674 1.00 0.00 H new ATOM 0 HA LEU A 71 19.061 7.450 37.242 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.911 6.123 39.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.265 7.736 39.591 1.00 0.00 H new ATOM 0 HG LEU A 71 17.099 6.500 38.810 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.771 4.327 39.925 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.074 4.258 38.715 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.473 4.344 40.447 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.309 6.421 41.144 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.993 6.518 41.713 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.274 7.882 40.824 1.00 0.00 H new ATOM 1152 N THR A 75 18.055 9.825 33.077 1.00 0.00 N ATOM 1153 CA THR A 75 16.762 10.052 33.709 1.00 0.00 C ATOM 1154 C THR A 75 16.210 8.765 34.312 1.00 0.00 C ATOM 1155 O THR A 75 16.436 7.675 33.785 1.00 0.00 O ATOM 1156 CB THR A 75 15.737 10.616 32.706 1.00 0.00 C ATOM 1157 OG1 THR A 75 14.414 10.222 33.084 1.00 0.00 O ATOM 1158 CG2 THR A 75 16.034 10.127 31.297 1.00 0.00 C ATOM 0 HA THR A 75 16.923 10.782 34.502 1.00 0.00 H new ATOM 0 HB THR A 75 15.809 11.704 32.719 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.769 10.586 32.443 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.298 10.538 30.606 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.031 10.454 31.001 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.987 9.038 31.272 1.00 0.00 H new ATOM 1166 N ARG A 76 15.485 8.898 35.418 1.00 0.00 N ATOM 1167 CA ARG A 76 14.902 7.745 36.092 1.00 0.00 C ATOM 1168 C ARG A 76 14.004 6.957 35.143 1.00 0.00 C ATOM 1169 O ARG A 76 12.870 7.354 34.872 1.00 0.00 O ATOM 1170 CB ARG A 76 14.100 8.194 37.315 1.00 0.00 C ATOM 1171 CG ARG A 76 14.526 7.515 38.606 1.00 0.00 C ATOM 1172 CD ARG A 76 13.457 7.639 39.680 1.00 0.00 C ATOM 1173 NE ARG A 76 13.961 7.270 41.000 1.00 0.00 N ATOM 1174 CZ ARG A 76 13.395 7.657 42.138 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.311 8.420 42.117 1.00 0.00 N ATOM 1176 NH2 ARG A 76 13.913 7.280 43.300 1.00 0.00 N ATOM 0 H ARG A 76 15.288 9.793 35.866 1.00 0.00 H new ATOM 0 HA ARG A 76 15.715 7.096 36.417 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.204 9.273 37.431 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.043 7.992 37.140 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.730 6.462 38.414 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.455 7.960 38.963 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.087 8.664 39.707 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.611 7.002 39.424 1.00 0.00 H new ATOM 0 HE ARG A 76 14.793 6.683 41.051 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.910 8.711 41.226 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.878 8.716 42.992 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.747 6.693 43.320 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.478 7.578 44.173 1.00 0.00 H new ATOM 1190 N ARG A 77 14.519 5.840 34.640 1.00 0.00 N ATOM 1191 CA ARG A 77 13.765 4.997 33.720 1.00 0.00 C ATOM 1192 C ARG A 77 13.719 3.555 34.216 1.00 0.00 C ATOM 1193 O ARG A 77 14.751 2.965 34.540 1.00 0.00 O ATOM 1194 CB ARG A 77 14.386 5.047 32.323 1.00 0.00 C ATOM 1195 CG ARG A 77 14.309 6.418 31.671 1.00 0.00 C ATOM 1196 CD ARG A 77 14.890 6.400 30.266 1.00 0.00 C ATOM 1197 NE ARG A 77 14.173 7.299 29.365 1.00 0.00 N ATOM 1198 CZ ARG A 77 14.232 7.213 28.041 1.00 0.00 C ATOM 1199 NH1 ARG A 77 14.970 6.273 27.466 1.00 0.00 N ATOM 1200 NH2 ARG A 77 13.551 8.068 27.289 1.00 0.00 N ATOM 0 H ARG A 77 15.456 5.498 34.854 1.00 0.00 H new ATOM 0 HA ARG A 77 12.745 5.379 33.671 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.431 4.743 32.388 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.882 4.321 31.684 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.270 6.746 31.632 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.849 7.143 32.280 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.941 6.688 30.305 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.852 5.385 29.871 1.00 0.00 H new ATOM 0 HE ARG A 77 13.595 8.033 29.775 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.494 5.613 28.041 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.013 6.210 26.449 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.982 8.792 27.728 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.597 8.001 26.272 1.00 0.00 H new ATOM 1214 N LEU A 78 12.516 2.993 34.275 1.00 0.00 N ATOM 1215 CA LEU A 78 12.335 1.620 34.732 1.00 0.00 C ATOM 1216 C LEU A 78 13.061 0.640 33.816 1.00 0.00 C ATOM 1217 O LEU A 78 12.679 0.454 32.660 1.00 0.00 O ATOM 1218 CB LEU A 78 10.846 1.273 34.791 1.00 0.00 C ATOM 1219 CG LEU A 78 10.489 -0.031 35.504 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.273 -1.194 34.916 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.751 0.088 36.999 1.00 0.00 C ATOM 0 H LEU A 78 11.652 3.467 34.012 1.00 0.00 H new ATOM 0 HA LEU A 78 12.761 1.538 35.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.322 2.090 35.287 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.464 1.222 33.771 1.00 0.00 H new ATOM 0 HG LEU A 78 9.426 -0.223 35.355 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.005 -2.113 35.437 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.036 -1.294 33.857 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.341 -1.009 35.033 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.491 -0.850 37.490 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.806 0.305 37.167 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.144 0.894 37.412 1.00 0.00 H new ATOM 1233 N LYS A 79 14.109 0.013 34.339 1.00 0.00 N ATOM 1234 CA LYS A 79 14.887 -0.951 33.571 1.00 0.00 C ATOM 1235 C LYS A 79 13.998 -2.073 33.045 1.00 0.00 C ATOM 1236 O LYS A 79 13.163 -2.608 33.773 1.00 0.00 O ATOM 1237 CB LYS A 79 16.008 -1.536 34.433 1.00 0.00 C ATOM 1238 CG LYS A 79 17.235 -0.645 34.522 1.00 0.00 C ATOM 1239 CD LYS A 79 18.021 -0.904 35.797 1.00 0.00 C ATOM 1240 CE LYS A 79 18.421 -2.366 35.918 1.00 0.00 C ATOM 1241 NZ LYS A 79 18.949 -2.905 34.634 1.00 0.00 N ATOM 0 H LYS A 79 14.439 0.156 35.293 1.00 0.00 H new ATOM 0 HA LYS A 79 15.326 -0.430 32.720 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.626 -1.716 35.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.301 -2.504 34.026 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.875 -0.819 33.657 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.930 0.401 34.488 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.914 -0.279 35.808 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.421 -0.617 36.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.178 -2.472 36.695 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.558 -2.954 36.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.670 -3.628 34.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.171 -3.330 34.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.375 -2.133 34.083 1.00 0.00 H new ATOM 1255 N MET A 80 14.183 -2.424 31.777 1.00 0.00 N ATOM 1256 CA MET A 80 13.399 -3.484 31.155 1.00 0.00 C ATOM 1257 C MET A 80 13.687 -4.830 31.812 1.00 0.00 C ATOM 1258 O MET A 80 13.035 -5.831 31.512 1.00 0.00 O ATOM 1259 CB MET A 80 13.700 -3.560 29.657 1.00 0.00 C ATOM 1260 CG MET A 80 13.601 -2.219 28.949 1.00 0.00 C ATOM 1261 SD MET A 80 12.697 -2.321 27.391 1.00 0.00 S ATOM 1262 CE MET A 80 13.705 -3.499 26.493 1.00 0.00 C ATOM 0 H MET A 80 14.869 -1.990 31.160 1.00 0.00 H new ATOM 0 HA MET A 80 12.344 -3.250 31.294 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.703 -3.963 29.516 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.007 -4.260 29.190 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.107 -1.502 29.605 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.604 -1.838 28.758 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.546 -3.372 25.422 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.756 -3.330 26.726 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.427 -4.512 26.784 1.00 0.00 H new ATOM 1272 N ASP A 81 14.666 -4.848 32.710 1.00 0.00 N ATOM 1273 CA ASP A 81 15.040 -6.071 33.410 1.00 0.00 C ATOM 1274 C ASP A 81 14.615 -6.011 34.874 1.00 0.00 C ATOM 1275 O ASP A 81 15.140 -6.741 35.713 1.00 0.00 O ATOM 1276 CB ASP A 81 16.549 -6.299 33.313 1.00 0.00 C ATOM 1277 CG ASP A 81 17.091 -6.010 31.927 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.568 -6.591 30.952 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.037 -5.203 31.816 1.00 0.00 O ATOM 0 H ASP A 81 15.215 -4.029 32.970 1.00 0.00 H new ATOM 0 HA ASP A 81 14.524 -6.905 32.934 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.057 -5.663 34.038 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.775 -7.331 33.580 1.00 0.00 H new ATOM 1284 N ALA A 82 13.661 -5.134 35.172 1.00 0.00 N ATOM 1285 CA ALA A 82 13.165 -4.979 36.534 1.00 0.00 C ATOM 1286 C ALA A 82 11.771 -5.578 36.682 1.00 0.00 C ATOM 1287 O ALA A 82 11.000 -5.625 35.723 1.00 0.00 O ATOM 1288 CB ALA A 82 13.156 -3.510 36.928 1.00 0.00 C ATOM 0 H ALA A 82 13.217 -4.521 34.489 1.00 0.00 H new ATOM 0 HA ALA A 82 13.836 -5.519 37.203 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.783 -3.409 37.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.169 -3.112 36.871 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.509 -2.955 36.249 1.00 0.00 H new ATOM 1294 N VAL A 83 11.452 -6.034 37.889 1.00 0.00 N ATOM 1295 CA VAL A 83 10.150 -6.630 38.162 1.00 0.00 C ATOM 1296 C VAL A 83 9.575 -6.115 39.477 1.00 0.00 C ATOM 1297 O VAL A 83 10.303 -5.754 40.402 1.00 0.00 O ATOM 1298 CB VAL A 83 10.236 -8.167 38.218 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.667 -8.780 36.948 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.674 -8.612 38.438 1.00 0.00 C ATOM 0 H VAL A 83 12.078 -6.002 38.694 1.00 0.00 H new ATOM 0 HA VAL A 83 9.492 -6.341 37.343 1.00 0.00 H new ATOM 0 HB VAL A 83 9.639 -8.517 39.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.736 -9.866 37.006 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.622 -8.488 36.840 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.234 -8.425 36.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.716 -9.701 38.475 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.296 -8.252 37.618 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.042 -8.202 39.379 1.00 0.00 H new ATOM 1310 N PRO A 84 8.237 -6.081 39.565 1.00 0.00 N ATOM 1311 CA PRO A 84 7.535 -5.613 40.763 1.00 0.00 C ATOM 1312 C PRO A 84 7.684 -6.576 41.936 1.00 0.00 C ATOM 1313 O PRO A 84 6.886 -7.499 42.102 1.00 0.00 O ATOM 1314 CB PRO A 84 6.073 -5.542 40.313 1.00 0.00 C ATOM 1315 CG PRO A 84 5.974 -6.522 39.195 1.00 0.00 C ATOM 1316 CD PRO A 84 7.307 -6.496 38.501 1.00 0.00 C ATOM 0 HA PRO A 84 7.932 -4.663 41.122 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.395 -5.800 41.127 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.808 -4.537 39.984 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.749 -7.520 39.570 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.172 -6.251 38.509 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.569 -7.474 38.097 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.312 -5.795 37.667 1.00 0.00 H new ATOM 1324 N THR A 85 8.713 -6.356 42.749 1.00 0.00 N ATOM 1325 CA THR A 85 8.968 -7.205 43.906 1.00 0.00 C ATOM 1326 C THR A 85 7.959 -6.937 45.017 1.00 0.00 C ATOM 1327 O THR A 85 8.042 -7.522 46.097 1.00 0.00 O ATOM 1328 CB THR A 85 10.391 -6.991 44.457 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.585 -5.612 44.790 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.436 -7.425 43.440 1.00 0.00 C ATOM 0 H THR A 85 9.383 -5.597 42.627 1.00 0.00 H new ATOM 0 HA THR A 85 8.868 -8.237 43.570 1.00 0.00 H new ATOM 0 HB THR A 85 10.505 -7.600 45.354 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.491 -5.485 45.141 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.433 -7.265 43.851 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.304 -8.482 43.211 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.321 -6.839 42.528 1.00 0.00 H new ATOM 1338 N ILE A 86 7.007 -6.051 44.744 1.00 0.00 N ATOM 1339 CA ILE A 86 5.981 -5.709 45.721 1.00 0.00 C ATOM 1340 C ILE A 86 4.585 -5.856 45.127 1.00 0.00 C ATOM 1341 O ILE A 86 4.389 -5.684 43.924 1.00 0.00 O ATOM 1342 CB ILE A 86 6.157 -4.269 46.240 1.00 0.00 C ATOM 1343 CG1 ILE A 86 7.432 -3.648 45.665 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.193 -4.255 47.761 1.00 0.00 C ATOM 1345 CD1 ILE A 86 7.903 -2.427 46.423 1.00 0.00 C ATOM 0 H ILE A 86 6.925 -5.557 43.855 1.00 0.00 H new ATOM 0 HA ILE A 86 6.093 -6.404 46.553 1.00 0.00 H new ATOM 0 HB ILE A 86 5.306 -3.673 45.911 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.225 -4.396 45.669 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.256 -3.375 44.625 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.318 -3.231 48.113 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.260 -4.661 48.151 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.027 -4.863 48.111 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.811 -2.039 45.960 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.127 -1.662 46.398 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.111 -2.699 47.458 1.00 0.00 H new ATOM 1357 N PHE A 87 3.616 -6.175 45.979 1.00 0.00 N ATOM 1358 CA PHE A 87 2.236 -6.345 45.538 1.00 0.00 C ATOM 1359 C PHE A 87 1.305 -6.547 46.730 1.00 0.00 C ATOM 1360 O PHE A 87 0.334 -5.811 46.905 1.00 0.00 O ATOM 1361 CB PHE A 87 2.126 -7.536 44.583 1.00 0.00 C ATOM 1362 CG PHE A 87 1.993 -7.138 43.141 1.00 0.00 C ATOM 1363 CD1 PHE A 87 0.812 -6.592 42.666 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.049 -7.311 42.261 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.686 -6.224 41.339 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.930 -6.944 40.934 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.747 -6.402 40.472 1.00 0.00 C ATOM 0 H PHE A 87 3.761 -6.321 46.978 1.00 0.00 H new ATOM 0 HA PHE A 87 1.934 -5.438 45.013 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.008 -8.166 44.698 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.264 -8.140 44.866 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.020 -6.452 43.340 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.976 -7.737 42.616 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.240 -5.798 40.981 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.762 -7.081 40.259 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.651 -6.118 39.435 1.00 0.00 H new