USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 HIS : no HD1:sc= -2.63 K(o=-2.7,f=-4.4!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.0889 USER MOD Set 2.1: A 19 THR OG1 : rot -59:sc= 0.86 USER MOD Set 2.2: A 22 ASN : amide:sc= 0.0686 K(o=0.93,f=-1.5!) USER MOD Set 3.1: A 12 CYS SG : rot -160:sc= 0.625 USER MOD Set 3.2: A 17 CYS SG : rot 150:sc= -0.0121 USER MOD Set 3.3: A 60 CYS SG : rot 61:sc= 0.679 USER MOD Set 3.4: A 63 HIS : no HE2:sc= -0.569 X(o=0.72,f=0.8) USER MOD Single : A 11 ASN : amide:sc= -1.28! C(o=-1.3!,f=-12!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.49) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.108 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 180:sc= -0.278 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.517 (180deg=-1.05!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0415 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.344 1.617 32.306 1.00 0.00 N ATOM 112 CA ASN A 11 -5.513 1.437 33.743 1.00 0.00 C ATOM 113 C ASN A 11 -4.443 0.505 34.305 1.00 0.00 C ATOM 114 O ASN A 11 -3.602 -0.008 33.567 1.00 0.00 O ATOM 115 CB ASN A 11 -6.904 0.877 34.048 1.00 0.00 C ATOM 116 CG ASN A 11 -7.507 1.480 35.303 1.00 0.00 C ATOM 117 OD1 ASN A 11 -6.910 2.351 35.935 1.00 0.00 O ATOM 118 ND2 ASN A 11 -8.697 1.017 35.668 1.00 0.00 N ATOM 0 HA ASN A 11 -5.408 2.411 34.220 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.564 1.070 33.202 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.840 -0.205 34.162 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.153 1.384 36.503 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.155 0.294 35.113 1.00 0.00 H new ATOM 125 N CYS A 12 -4.482 0.290 35.615 1.00 0.00 N ATOM 126 CA CYS A 12 -3.518 -0.580 36.277 1.00 0.00 C ATOM 127 C CYS A 12 -3.986 -2.033 36.248 1.00 0.00 C ATOM 128 O CYS A 12 -5.160 -2.322 36.478 1.00 0.00 O ATOM 129 CB CYS A 12 -3.303 -0.131 37.724 1.00 0.00 C ATOM 130 SG CYS A 12 -1.894 -0.938 38.551 1.00 0.00 S ATOM 0 H CYS A 12 -5.172 0.707 36.240 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.573 -0.510 35.738 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.150 0.948 37.740 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.210 -0.333 38.294 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.031 -0.837 39.840 1.00 0.00 H new ATOM 135 N ALA A 13 -3.059 -2.941 35.964 1.00 0.00 N ATOM 136 CA ALA A 13 -3.375 -4.363 35.907 1.00 0.00 C ATOM 137 C ALA A 13 -3.070 -5.047 37.236 1.00 0.00 C ATOM 138 O ALA A 13 -3.309 -6.243 37.398 1.00 0.00 O ATOM 139 CB ALA A 13 -2.604 -5.031 34.778 1.00 0.00 C ATOM 0 H ALA A 13 -2.083 -2.718 35.770 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.443 -4.465 35.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.850 -6.092 34.748 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.875 -4.568 33.829 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.534 -4.911 34.948 1.00 0.00 H new ATOM 145 N ALA A 14 -2.540 -4.280 38.183 1.00 0.00 N ATOM 146 CA ALA A 14 -2.204 -4.812 39.497 1.00 0.00 C ATOM 147 C ALA A 14 -3.416 -5.465 40.152 1.00 0.00 C ATOM 148 O ALA A 14 -4.454 -5.647 39.516 1.00 0.00 O ATOM 149 CB ALA A 14 -1.651 -3.709 40.388 1.00 0.00 C ATOM 0 H ALA A 14 -2.334 -3.288 38.064 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.438 -5.577 39.366 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.404 -4.121 41.367 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.753 -3.290 39.934 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.399 -2.925 40.503 1.00 0.00 H new ATOM 155 N ALA A 15 -3.278 -5.816 41.427 1.00 0.00 N ATOM 156 CA ALA A 15 -4.363 -6.447 42.167 1.00 0.00 C ATOM 157 C ALA A 15 -5.211 -5.407 42.891 1.00 0.00 C ATOM 158 O ALA A 15 -4.826 -4.901 43.944 1.00 0.00 O ATOM 159 CB ALA A 15 -3.806 -7.459 43.158 1.00 0.00 C ATOM 0 H ALA A 15 -2.425 -5.674 41.968 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.003 -6.967 41.454 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.627 -7.923 43.704 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.249 -8.226 42.620 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.143 -6.954 43.860 1.00 0.00 H new ATOM 165 N GLY A 16 -6.370 -5.093 42.319 1.00 0.00 N ATOM 166 CA GLY A 16 -7.254 -4.114 42.923 1.00 0.00 C ATOM 167 C GLY A 16 -6.565 -2.788 43.177 1.00 0.00 C ATOM 168 O GLY A 16 -6.157 -2.497 44.301 1.00 0.00 O ATOM 0 H GLY A 16 -6.712 -5.499 41.448 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.113 -3.954 42.272 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.637 -4.507 43.865 1.00 0.00 H new ATOM 172 N CYS A 17 -6.432 -1.982 42.128 1.00 0.00 N ATOM 173 CA CYS A 17 -5.786 -0.680 42.241 1.00 0.00 C ATOM 174 C CYS A 17 -6.550 0.377 41.450 1.00 0.00 C ATOM 175 O CYS A 17 -7.256 1.206 42.023 1.00 0.00 O ATOM 176 CB CYS A 17 -4.341 -0.761 41.742 1.00 0.00 C ATOM 177 SG CYS A 17 -3.509 0.855 41.612 1.00 0.00 S ATOM 0 H CYS A 17 -6.763 -2.208 41.190 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.786 -0.392 43.292 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.770 -1.399 42.417 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.332 -1.242 40.764 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.234 0.704 41.816 1.00 0.00 H new ATOM 182 N ALA A 18 -6.405 0.340 40.129 1.00 0.00 N ATOM 183 CA ALA A 18 -7.083 1.293 39.259 1.00 0.00 C ATOM 184 C ALA A 18 -6.605 2.716 39.526 1.00 0.00 C ATOM 185 O ALA A 18 -7.162 3.422 40.367 1.00 0.00 O ATOM 186 CB ALA A 18 -8.590 1.197 39.444 1.00 0.00 C ATOM 0 H ALA A 18 -5.824 -0.340 39.638 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.838 1.043 38.227 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.084 1.914 38.788 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.924 0.189 39.196 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.844 1.419 40.481 1.00 0.00 H new ATOM 192 N THR A 19 -5.570 3.133 38.804 1.00 0.00 N ATOM 193 CA THR A 19 -5.016 4.472 38.964 1.00 0.00 C ATOM 194 C THR A 19 -5.343 5.349 37.761 1.00 0.00 C ATOM 195 O THR A 19 -4.858 6.476 37.650 1.00 0.00 O ATOM 196 CB THR A 19 -3.487 4.428 39.152 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.083 5.416 40.106 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.772 4.669 37.831 1.00 0.00 C ATOM 0 H THR A 19 -5.098 2.563 38.102 1.00 0.00 H new ATOM 0 HA THR A 19 -5.473 4.899 39.857 1.00 0.00 H new ATOM 0 HB THR A 19 -3.216 3.438 39.518 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.352 6.304 39.791 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.694 4.633 37.989 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.060 3.898 37.116 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.049 5.648 37.441 1.00 0.00 H new ATOM 206 N THR A 20 -6.171 4.828 36.861 1.00 0.00 N ATOM 207 CA THR A 20 -6.564 5.564 35.666 1.00 0.00 C ATOM 208 C THR A 20 -6.687 7.056 35.955 1.00 0.00 C ATOM 209 O THR A 20 -5.792 7.837 35.631 1.00 0.00 O ATOM 210 CB THR A 20 -7.902 5.049 35.103 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.561 6.092 34.375 1.00 0.00 O ATOM 212 CG2 THR A 20 -8.806 4.557 36.223 1.00 0.00 C ATOM 0 H THR A 20 -6.583 3.898 36.937 1.00 0.00 H new ATOM 0 HA THR A 20 -5.781 5.404 34.924 1.00 0.00 H new ATOM 0 HB THR A 20 -7.692 4.215 34.433 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.410 5.756 34.019 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.745 4.198 35.802 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.314 3.744 36.757 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.008 5.376 36.914 1.00 0.00 H new ATOM 220 N TYR A 21 -7.800 7.445 36.568 1.00 0.00 N ATOM 221 CA TYR A 21 -8.041 8.844 36.899 1.00 0.00 C ATOM 222 C TYR A 21 -7.048 9.334 37.949 1.00 0.00 C ATOM 223 O TYR A 21 -7.313 9.267 39.148 1.00 0.00 O ATOM 224 CB TYR A 21 -9.471 9.031 37.407 1.00 0.00 C ATOM 225 CG TYR A 21 -10.010 10.428 37.201 1.00 0.00 C ATOM 226 CD1 TYR A 21 -9.162 11.529 37.211 1.00 0.00 C ATOM 227 CD2 TYR A 21 -11.366 10.648 36.995 1.00 0.00 C ATOM 228 CE1 TYR A 21 -9.650 12.808 37.024 1.00 0.00 C ATOM 229 CE2 TYR A 21 -11.863 11.923 36.806 1.00 0.00 C ATOM 230 CZ TYR A 21 -11.001 13.000 36.822 1.00 0.00 C ATOM 231 OH TYR A 21 -11.490 14.272 36.633 1.00 0.00 O ATOM 0 H TYR A 21 -8.549 6.811 36.845 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.905 9.434 35.993 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.124 8.321 36.899 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.504 8.791 38.470 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.104 11.382 37.368 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.044 9.807 36.982 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.977 13.653 37.036 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.920 12.076 36.647 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.461 14.233 36.504 1.00 0.00 H new ATOM 241 N ASN A 22 -5.904 9.827 37.487 1.00 0.00 N ATOM 242 CA ASN A 22 -4.870 10.328 38.386 1.00 0.00 C ATOM 243 C ASN A 22 -4.912 11.851 38.466 1.00 0.00 C ATOM 244 O ASN A 22 -4.256 12.544 37.688 1.00 0.00 O ATOM 245 CB ASN A 22 -3.489 9.870 37.914 1.00 0.00 C ATOM 246 CG ASN A 22 -3.046 8.584 38.586 1.00 0.00 C ATOM 247 OD1 ASN A 22 -3.622 8.165 39.590 1.00 0.00 O ATOM 248 ND2 ASN A 22 -2.018 7.951 38.033 1.00 0.00 N ATOM 0 H ASN A 22 -5.669 9.891 36.496 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.060 9.923 39.380 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.507 9.725 36.834 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.760 10.654 38.119 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.676 7.081 38.441 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.571 8.335 37.201 1.00 0.00 H new ATOM 313 N ASN A 26 1.421 12.013 39.729 1.00 0.00 N ATOM 314 CA ASN A 26 2.830 11.971 39.354 1.00 0.00 C ATOM 315 C ASN A 26 3.229 10.572 38.896 1.00 0.00 C ATOM 316 O ASN A 26 4.245 10.394 38.223 1.00 0.00 O ATOM 317 CB ASN A 26 3.706 12.404 40.531 1.00 0.00 C ATOM 318 CG ASN A 26 4.130 13.857 40.433 1.00 0.00 C ATOM 319 OD1 ASN A 26 3.908 14.512 39.414 1.00 0.00 O ATOM 320 ND2 ASN A 26 4.744 14.367 41.494 1.00 0.00 N ATOM 0 HA ASN A 26 2.980 12.662 38.525 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.161 12.250 41.462 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.593 11.772 40.572 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.053 15.339 41.486 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.907 13.787 42.317 1.00 0.00 H new ATOM 327 N ILE A 27 2.423 9.582 39.265 1.00 0.00 N ATOM 328 CA ILE A 27 2.691 8.199 38.891 1.00 0.00 C ATOM 329 C ILE A 27 2.994 8.082 37.401 1.00 0.00 C ATOM 330 O ILE A 27 2.456 8.832 36.586 1.00 0.00 O ATOM 331 CB ILE A 27 1.503 7.282 39.235 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.472 6.994 40.738 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.587 5.985 38.443 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.350 6.067 41.152 1.00 0.00 C ATOM 0 H ILE A 27 1.579 9.712 39.823 1.00 0.00 H new ATOM 0 HA ILE A 27 3.562 7.881 39.463 1.00 0.00 H new ATOM 0 HB ILE A 27 0.579 7.792 38.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.424 6.555 41.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.373 7.935 41.278 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.740 5.348 38.698 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.566 6.208 37.376 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.516 5.469 38.687 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.389 5.907 42.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.608 6.514 40.886 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.460 5.111 40.639 1.00 0.00 H new ATOM 346 N SER A 28 3.856 7.133 37.051 1.00 0.00 N ATOM 347 CA SER A 28 4.233 6.918 35.658 1.00 0.00 C ATOM 348 C SER A 28 3.584 5.650 35.110 1.00 0.00 C ATOM 349 O SER A 28 2.972 4.881 35.852 1.00 0.00 O ATOM 350 CB SER A 28 5.754 6.823 35.528 1.00 0.00 C ATOM 351 OG SER A 28 6.400 7.596 36.524 1.00 0.00 O ATOM 0 H SER A 28 4.307 6.501 37.712 1.00 0.00 H new ATOM 0 HA SER A 28 3.878 7.768 35.076 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.065 5.782 35.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.060 7.168 34.540 1.00 0.00 H new ATOM 0 HG SER A 28 7.371 7.517 36.420 1.00 0.00 H new ATOM 357 N PHE A 29 3.721 5.440 33.805 1.00 0.00 N ATOM 358 CA PHE A 29 3.148 4.267 33.155 1.00 0.00 C ATOM 359 C PHE A 29 4.242 3.391 32.550 1.00 0.00 C ATOM 360 O PHE A 29 4.809 3.719 31.508 1.00 0.00 O ATOM 361 CB PHE A 29 2.160 4.692 32.067 1.00 0.00 C ATOM 362 CG PHE A 29 2.814 5.359 30.891 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.099 6.715 30.916 1.00 0.00 C ATOM 364 CD2 PHE A 29 3.142 4.630 29.759 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.701 7.331 29.836 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.745 5.241 28.676 1.00 0.00 C ATOM 367 CZ PHE A 29 4.023 6.594 28.714 1.00 0.00 C ATOM 0 H PHE A 29 4.224 6.067 33.177 1.00 0.00 H new ATOM 0 HA PHE A 29 2.618 3.687 33.911 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.615 3.814 31.720 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.427 5.373 32.499 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.847 7.297 31.790 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.924 3.573 29.723 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.920 8.388 29.869 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.999 4.661 27.801 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.491 7.074 27.867 1.00 0.00 H new ATOM 377 N HIS A 30 4.532 2.276 33.213 1.00 0.00 N ATOM 378 CA HIS A 30 5.558 1.352 32.741 1.00 0.00 C ATOM 379 C HIS A 30 4.939 0.024 32.317 1.00 0.00 C ATOM 380 O HIS A 30 4.581 -0.801 33.158 1.00 0.00 O ATOM 381 CB HIS A 30 6.602 1.117 33.833 1.00 0.00 C ATOM 382 CG HIS A 30 7.384 2.344 34.189 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.540 2.715 33.536 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.169 3.287 35.135 1.00 0.00 C ATOM 385 CE1 HIS A 30 9.003 3.833 34.067 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.189 4.201 35.039 1.00 0.00 N ATOM 0 H HIS A 30 4.072 1.990 34.077 1.00 0.00 H new ATOM 0 HA HIS A 30 6.044 1.798 31.874 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.103 0.742 34.727 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.292 0.340 33.504 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.348 3.316 35.836 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.896 4.357 33.758 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.300 5.030 35.624 1.00 0.00 H new ATOM 394 N ARG A 31 4.816 -0.176 31.009 1.00 0.00 N ATOM 395 CA ARG A 31 4.239 -1.403 30.474 1.00 0.00 C ATOM 396 C ARG A 31 5.051 -2.620 30.908 1.00 0.00 C ATOM 397 O ARG A 31 6.111 -2.486 31.520 1.00 0.00 O ATOM 398 CB ARG A 31 4.174 -1.338 28.947 1.00 0.00 C ATOM 399 CG ARG A 31 5.526 -1.502 28.273 1.00 0.00 C ATOM 400 CD ARG A 31 6.014 -0.190 27.678 1.00 0.00 C ATOM 401 NE ARG A 31 5.532 0.005 26.313 1.00 0.00 N ATOM 402 CZ ARG A 31 6.039 -0.621 25.257 1.00 0.00 C ATOM 403 NH1 ARG A 31 7.038 -1.479 25.408 1.00 0.00 N ATOM 404 NH2 ARG A 31 5.546 -0.391 24.047 1.00 0.00 N ATOM 0 H ARG A 31 5.108 0.496 30.300 1.00 0.00 H new ATOM 0 HA ARG A 31 3.228 -1.502 30.870 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.501 -2.116 28.587 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.743 -0.382 28.650 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.253 -1.867 28.998 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.454 -2.254 27.488 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.679 0.638 28.303 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.104 -0.173 27.684 1.00 0.00 H new ATOM 0 HE ARG A 31 4.763 0.658 26.162 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.419 -1.660 26.337 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.426 -1.959 24.595 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.776 0.267 23.927 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.937 -0.873 23.237 1.00 0.00 H new ATOM 418 N PHE A 32 4.546 -3.806 30.587 1.00 0.00 N ATOM 419 CA PHE A 32 5.223 -5.047 30.945 1.00 0.00 C ATOM 420 C PHE A 32 6.495 -5.230 30.122 1.00 0.00 C ATOM 421 O PHE A 32 6.645 -4.675 29.033 1.00 0.00 O ATOM 422 CB PHE A 32 4.290 -6.242 30.734 1.00 0.00 C ATOM 423 CG PHE A 32 3.271 -6.406 31.826 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.567 -5.313 32.305 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.017 -7.654 32.372 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.630 -5.462 33.309 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.080 -7.809 33.377 1.00 0.00 C ATOM 428 CZ PHE A 32 1.385 -6.711 33.845 1.00 0.00 C ATOM 0 H PHE A 32 3.670 -3.934 30.080 1.00 0.00 H new ATOM 0 HA PHE A 32 5.497 -4.990 31.998 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.774 -6.126 29.781 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.887 -7.151 30.665 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.753 -4.334 31.889 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.557 -8.516 32.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.089 -4.602 33.675 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.892 -8.787 33.795 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.651 -6.829 34.629 1.00 0.00 H new ATOM 438 N PRO A 33 7.434 -6.026 30.653 1.00 0.00 N ATOM 439 CA PRO A 33 8.710 -6.301 29.985 1.00 0.00 C ATOM 440 C PRO A 33 8.539 -7.168 28.743 1.00 0.00 C ATOM 441 O PRO A 33 7.766 -8.127 28.744 1.00 0.00 O ATOM 442 CB PRO A 33 9.515 -7.048 31.052 1.00 0.00 C ATOM 443 CG PRO A 33 8.489 -7.670 31.934 1.00 0.00 C ATOM 444 CD PRO A 33 7.323 -6.721 31.947 1.00 0.00 C ATOM 0 HA PRO A 33 9.189 -5.389 29.631 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.162 -7.802 30.604 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.158 -6.368 31.611 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.192 -8.648 31.557 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.880 -7.822 32.940 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.375 -7.251 32.039 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.381 -6.025 32.783 1.00 0.00 H new ATOM 452 N LEU A 34 9.264 -6.826 27.684 1.00 0.00 N ATOM 453 CA LEU A 34 9.193 -7.574 26.433 1.00 0.00 C ATOM 454 C LEU A 34 9.904 -8.917 26.561 1.00 0.00 C ATOM 455 O LEU A 34 9.731 -9.804 25.725 1.00 0.00 O ATOM 456 CB LEU A 34 9.813 -6.762 25.295 1.00 0.00 C ATOM 457 CG LEU A 34 9.182 -5.396 25.023 1.00 0.00 C ATOM 458 CD1 LEU A 34 7.774 -5.335 25.595 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.044 -4.285 25.604 1.00 0.00 C ATOM 0 H LEU A 34 9.908 -6.035 27.666 1.00 0.00 H new ATOM 0 HA LEU A 34 8.143 -7.760 26.208 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.870 -6.614 25.515 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.758 -7.354 24.381 1.00 0.00 H new ATOM 0 HG LEU A 34 9.120 -5.254 23.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.341 -4.356 25.392 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.159 -6.107 25.132 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.811 -5.499 26.672 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.579 -3.320 25.401 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.138 -4.423 26.681 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.033 -4.315 25.147 1.00 0.00 H new ATOM 471 N ASP A 35 10.701 -9.061 27.614 1.00 0.00 N ATOM 472 CA ASP A 35 11.436 -10.297 27.854 1.00 0.00 C ATOM 473 C ASP A 35 10.535 -11.348 28.496 1.00 0.00 C ATOM 474 O ASP A 35 9.630 -11.036 29.270 1.00 0.00 O ATOM 475 CB ASP A 35 12.648 -10.031 28.748 1.00 0.00 C ATOM 476 CG ASP A 35 13.940 -10.536 28.137 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.349 -10.001 27.086 1.00 0.00 O ATOM 478 OD2 ASP A 35 14.543 -11.467 28.711 1.00 0.00 O ATOM 0 H ASP A 35 10.855 -8.336 28.315 1.00 0.00 H new ATOM 0 HA ASP A 35 11.781 -10.678 26.893 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.731 -8.960 28.933 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.495 -10.511 29.715 1.00 0.00 H new ATOM 483 N PRO A 36 10.788 -12.624 28.168 1.00 0.00 N ATOM 484 CA PRO A 36 10.011 -13.747 28.702 1.00 0.00 C ATOM 485 C PRO A 36 10.267 -13.975 30.188 1.00 0.00 C ATOM 486 O PRO A 36 9.353 -14.308 30.942 1.00 0.00 O ATOM 487 CB PRO A 36 10.507 -14.942 27.884 1.00 0.00 C ATOM 488 CG PRO A 36 11.880 -14.560 27.449 1.00 0.00 C ATOM 489 CD PRO A 36 11.852 -13.069 27.253 1.00 0.00 C ATOM 0 HA PRO A 36 8.938 -13.574 28.622 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.520 -15.853 28.482 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.859 -15.132 27.028 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.619 -14.841 28.199 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.153 -15.070 26.525 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.811 -12.613 27.500 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.630 -12.804 26.219 1.00 0.00 H new ATOM 497 N LYS A 37 11.516 -13.793 30.603 1.00 0.00 N ATOM 498 CA LYS A 37 11.893 -13.977 31.999 1.00 0.00 C ATOM 499 C LYS A 37 11.076 -13.065 32.908 1.00 0.00 C ATOM 500 O LYS A 37 10.537 -13.506 33.923 1.00 0.00 O ATOM 501 CB LYS A 37 13.386 -13.698 32.187 1.00 0.00 C ATOM 502 CG LYS A 37 14.277 -14.867 31.803 1.00 0.00 C ATOM 503 CD LYS A 37 15.476 -14.410 30.989 1.00 0.00 C ATOM 504 CE LYS A 37 16.660 -15.348 31.168 1.00 0.00 C ATOM 505 NZ LYS A 37 17.301 -15.687 29.867 1.00 0.00 N ATOM 0 H LYS A 37 12.285 -13.518 29.992 1.00 0.00 H new ATOM 0 HA LYS A 37 11.686 -15.012 32.272 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.663 -12.830 31.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.570 -13.439 33.230 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.620 -15.375 32.704 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.700 -15.592 31.228 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.204 -14.362 29.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.760 -13.402 31.291 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.395 -14.883 31.825 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.328 -16.263 31.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.103 -16.328 30.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.607 -16.153 29.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.641 -14.817 29.410 1.00 0.00 H new ATOM 519 N ARG A 38 10.988 -11.792 32.536 1.00 0.00 N ATOM 520 CA ARG A 38 10.236 -10.818 33.319 1.00 0.00 C ATOM 521 C ARG A 38 8.751 -10.872 32.972 1.00 0.00 C ATOM 522 O ARG A 38 7.898 -10.909 33.858 1.00 0.00 O ATOM 523 CB ARG A 38 10.778 -9.408 33.073 1.00 0.00 C ATOM 524 CG ARG A 38 12.295 -9.326 33.097 1.00 0.00 C ATOM 525 CD ARG A 38 12.849 -9.638 34.478 1.00 0.00 C ATOM 526 NE ARG A 38 14.309 -9.688 34.484 1.00 0.00 N ATOM 527 CZ ARG A 38 15.020 -10.282 35.436 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.409 -10.873 36.453 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.345 -10.285 35.371 1.00 0.00 N ATOM 0 H ARG A 38 11.428 -11.411 31.698 1.00 0.00 H new ATOM 0 HA ARG A 38 10.354 -11.067 34.374 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.419 -9.053 32.107 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.374 -8.736 33.830 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.710 -10.026 32.371 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.611 -8.328 32.794 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.509 -8.881 35.184 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.452 -10.594 34.820 1.00 0.00 H new ATOM 0 HE ARG A 38 14.810 -9.242 33.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.390 -10.872 36.506 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.957 -11.328 37.183 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.818 -9.831 34.590 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.890 -10.741 36.102 1.00 0.00 H new ATOM 543 N ARG A 39 8.451 -10.874 31.677 1.00 0.00 N ATOM 544 CA ARG A 39 7.070 -10.921 31.213 1.00 0.00 C ATOM 545 C ARG A 39 6.242 -11.878 32.067 1.00 0.00 C ATOM 546 O ARG A 39 5.170 -11.521 32.555 1.00 0.00 O ATOM 547 CB ARG A 39 7.017 -11.354 29.747 1.00 0.00 C ATOM 548 CG ARG A 39 5.607 -11.602 29.236 1.00 0.00 C ATOM 549 CD ARG A 39 5.509 -12.923 28.490 1.00 0.00 C ATOM 550 NE ARG A 39 4.756 -12.795 27.245 1.00 0.00 N ATOM 551 CZ ARG A 39 5.156 -12.053 26.218 1.00 0.00 C ATOM 552 NH1 ARG A 39 6.295 -11.377 26.287 1.00 0.00 N ATOM 553 NH2 ARG A 39 4.416 -11.987 25.118 1.00 0.00 N ATOM 0 H ARG A 39 9.146 -10.844 30.931 1.00 0.00 H new ATOM 0 HA ARG A 39 6.648 -9.920 31.305 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.487 -10.586 29.133 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.604 -12.264 29.624 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.910 -11.604 30.074 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.310 -10.787 28.576 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.511 -13.291 28.271 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.030 -13.665 29.129 1.00 0.00 H new ATOM 0 HE ARG A 39 3.875 -13.303 27.159 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.867 -11.426 27.130 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.599 -10.808 25.497 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.540 -12.506 25.061 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.724 -11.417 24.330 1.00 0.00 H new ATOM 567 N LYS A 40 6.747 -13.094 32.242 1.00 0.00 N ATOM 568 CA LYS A 40 6.056 -14.102 33.037 1.00 0.00 C ATOM 569 C LYS A 40 6.000 -13.693 34.505 1.00 0.00 C ATOM 570 O LYS A 40 5.041 -14.006 35.209 1.00 0.00 O ATOM 571 CB LYS A 40 6.755 -15.457 32.900 1.00 0.00 C ATOM 572 CG LYS A 40 6.710 -16.025 31.492 1.00 0.00 C ATOM 573 CD LYS A 40 7.898 -16.931 31.218 1.00 0.00 C ATOM 574 CE LYS A 40 7.761 -18.264 31.938 1.00 0.00 C ATOM 575 NZ LYS A 40 8.852 -19.208 31.571 1.00 0.00 N ATOM 0 H LYS A 40 7.633 -13.406 31.844 1.00 0.00 H new ATOM 0 HA LYS A 40 5.036 -14.187 32.663 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.795 -15.352 33.207 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.290 -16.167 33.584 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.785 -16.585 31.354 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.700 -15.209 30.770 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.986 -17.103 30.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.815 -16.436 31.537 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.772 -18.098 33.015 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.797 -18.711 31.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.722 -20.104 32.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.826 -19.387 30.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.771 -18.793 31.827 1.00 0.00 H new ATOM 589 N GLU A 41 7.034 -12.992 34.959 1.00 0.00 N ATOM 590 CA GLU A 41 7.100 -12.540 36.344 1.00 0.00 C ATOM 591 C GLU A 41 6.046 -11.472 36.619 1.00 0.00 C ATOM 592 O GLU A 41 5.140 -11.673 37.428 1.00 0.00 O ATOM 593 CB GLU A 41 8.493 -11.990 36.658 1.00 0.00 C ATOM 594 CG GLU A 41 9.498 -13.062 37.043 1.00 0.00 C ATOM 595 CD GLU A 41 9.054 -14.453 36.633 1.00 0.00 C ATOM 596 OE1 GLU A 41 9.045 -14.738 35.417 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.717 -15.255 37.528 1.00 0.00 O ATOM 0 H GLU A 41 7.837 -12.725 34.389 1.00 0.00 H new ATOM 0 HA GLU A 41 6.901 -13.396 36.988 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.866 -11.450 35.788 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.415 -11.268 37.471 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.458 -12.839 36.577 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.654 -13.038 38.121 1.00 0.00 H new ATOM 604 N TRP A 42 6.171 -10.337 35.941 1.00 0.00 N ATOM 605 CA TRP A 42 5.230 -9.236 36.112 1.00 0.00 C ATOM 606 C TRP A 42 3.804 -9.757 36.259 1.00 0.00 C ATOM 607 O TRP A 42 2.993 -9.179 36.982 1.00 0.00 O ATOM 608 CB TRP A 42 5.315 -8.275 34.925 1.00 0.00 C ATOM 609 CG TRP A 42 6.495 -7.353 34.991 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.812 -7.710 35.034 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.463 -5.922 35.023 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.602 -6.587 35.091 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.798 -5.477 35.085 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.437 -4.973 35.004 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.131 -4.126 35.128 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.769 -3.633 35.047 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.107 -3.219 35.108 1.00 0.00 C ATOM 0 H TRP A 42 6.915 -10.155 35.267 1.00 0.00 H new ATOM 0 HA TRP A 42 5.498 -8.701 37.023 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.365 -8.853 34.002 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.402 -7.682 34.881 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.179 -8.726 35.025 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.621 -6.581 35.131 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.403 -5.282 34.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.161 -3.805 35.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.984 -2.891 35.033 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.334 -2.164 35.140 1.00 0.00 H new ATOM 628 N VAL A 43 3.505 -10.853 35.569 1.00 0.00 N ATOM 629 CA VAL A 43 2.177 -11.453 35.624 1.00 0.00 C ATOM 630 C VAL A 43 2.056 -12.412 36.802 1.00 0.00 C ATOM 631 O VAL A 43 0.997 -12.521 37.421 1.00 0.00 O ATOM 632 CB VAL A 43 1.849 -12.210 34.324 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.423 -12.740 34.359 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.061 -11.310 33.116 1.00 0.00 C ATOM 0 H VAL A 43 4.165 -11.344 34.965 1.00 0.00 H new ATOM 0 HA VAL A 43 1.466 -10.637 35.749 1.00 0.00 H new ATOM 0 HB VAL A 43 2.526 -13.060 34.239 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.210 -13.272 33.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.308 -13.421 35.203 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.272 -11.907 34.468 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.825 -11.861 32.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.410 -10.439 33.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.101 -10.984 33.083 1.00 0.00 H new ATOM 644 N ARG A 44 3.147 -13.106 37.108 1.00 0.00 N ATOM 645 CA ARG A 44 3.163 -14.058 38.212 1.00 0.00 C ATOM 646 C ARG A 44 3.134 -13.334 39.555 1.00 0.00 C ATOM 647 O ARG A 44 2.729 -13.902 40.570 1.00 0.00 O ATOM 648 CB ARG A 44 4.404 -14.949 38.128 1.00 0.00 C ATOM 649 CG ARG A 44 5.018 -15.269 39.481 1.00 0.00 C ATOM 650 CD ARG A 44 4.090 -16.132 40.323 1.00 0.00 C ATOM 651 NE ARG A 44 4.640 -17.465 40.551 1.00 0.00 N ATOM 652 CZ ARG A 44 5.662 -17.710 41.364 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.241 -16.716 42.023 1.00 0.00 N ATOM 654 NH2 ARG A 44 6.106 -18.950 41.519 1.00 0.00 N ATOM 0 H ARG A 44 4.032 -13.027 36.607 1.00 0.00 H new ATOM 0 HA ARG A 44 2.271 -14.680 38.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.138 -15.881 37.630 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.152 -14.457 37.506 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.967 -15.785 39.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.236 -14.342 40.011 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.912 -15.644 41.281 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.124 -16.219 39.825 1.00 0.00 H new ATOM 0 HE ARG A 44 4.216 -18.252 40.059 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.902 -15.761 41.906 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.025 -16.906 42.647 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.663 -19.717 41.014 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.891 -19.136 42.143 1.00 0.00 H new ATOM 668 N LEU A 45 3.566 -12.078 39.552 1.00 0.00 N ATOM 669 CA LEU A 45 3.590 -11.275 40.770 1.00 0.00 C ATOM 670 C LEU A 45 2.233 -10.625 41.021 1.00 0.00 C ATOM 671 O LEU A 45 1.698 -10.686 42.127 1.00 0.00 O ATOM 672 CB LEU A 45 4.674 -10.200 40.675 1.00 0.00 C ATOM 673 CG LEU A 45 6.119 -10.695 40.743 1.00 0.00 C ATOM 674 CD1 LEU A 45 7.002 -9.898 39.796 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.645 -10.608 42.168 1.00 0.00 C ATOM 0 H LEU A 45 3.904 -11.594 38.721 1.00 0.00 H new ATOM 0 HA LEU A 45 3.816 -11.936 41.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.540 -9.659 39.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.518 -9.483 41.481 1.00 0.00 H new ATOM 0 HG LEU A 45 6.140 -11.740 40.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.027 -10.265 39.858 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.637 -10.013 38.775 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.976 -8.844 40.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.675 -10.964 42.198 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.609 -9.572 42.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.028 -11.225 42.822 1.00 0.00 H new ATOM 687 N VAL A 46 1.681 -10.002 39.984 1.00 0.00 N ATOM 688 CA VAL A 46 0.384 -9.343 40.090 1.00 0.00 C ATOM 689 C VAL A 46 -0.705 -10.334 40.484 1.00 0.00 C ATOM 690 O VAL A 46 -1.818 -9.941 40.834 1.00 0.00 O ATOM 691 CB VAL A 46 -0.010 -8.664 38.765 1.00 0.00 C ATOM 692 CG1 VAL A 46 0.011 -9.668 37.623 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.379 -8.012 38.888 1.00 0.00 C ATOM 0 H VAL A 46 2.112 -9.940 39.061 1.00 0.00 H new ATOM 0 HA VAL A 46 0.477 -8.583 40.866 1.00 0.00 H new ATOM 0 HB VAL A 46 0.720 -7.885 38.545 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.270 -9.170 36.695 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.014 -10.084 37.522 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.695 -10.471 37.832 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.642 -7.537 37.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.123 -8.771 39.132 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.355 -7.261 39.677 1.00 0.00 H new ATOM 703 N ARG A 47 -0.377 -11.620 40.425 1.00 0.00 N ATOM 704 CA ARG A 47 -1.328 -12.668 40.775 1.00 0.00 C ATOM 705 C ARG A 47 -2.248 -12.983 39.599 1.00 0.00 C ATOM 706 O ARG A 47 -2.455 -14.147 39.255 1.00 0.00 O ATOM 707 CB ARG A 47 -2.160 -12.247 41.988 1.00 0.00 C ATOM 708 CG ARG A 47 -1.370 -11.471 43.029 1.00 0.00 C ATOM 709 CD ARG A 47 -1.324 -12.209 44.358 1.00 0.00 C ATOM 710 NE ARG A 47 -0.503 -13.414 44.286 1.00 0.00 N ATOM 711 CZ ARG A 47 -0.449 -14.325 45.252 1.00 0.00 C ATOM 712 NH1 ARG A 47 -1.166 -14.168 46.356 1.00 0.00 N ATOM 713 NH2 ARG A 47 0.323 -15.395 45.114 1.00 0.00 N ATOM 0 H ARG A 47 0.540 -11.962 40.138 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.764 -13.567 41.024 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.997 -11.636 41.650 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.583 -13.137 42.454 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.355 -11.306 42.668 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.821 -10.489 43.172 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.928 -11.546 45.127 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.337 -12.478 44.659 1.00 0.00 H new ATOM 0 HE ARG A 47 0.060 -13.565 43.449 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.761 -13.347 46.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.123 -14.869 47.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.876 -15.519 44.266 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.364 -16.094 45.856 1.00 0.00 H new ATOM 727 N ARG A 48 -2.796 -11.939 38.987 1.00 0.00 N ATOM 728 CA ARG A 48 -3.694 -12.104 37.850 1.00 0.00 C ATOM 729 C ARG A 48 -3.212 -13.226 36.935 1.00 0.00 C ATOM 730 O ARG A 48 -2.397 -13.003 36.039 1.00 0.00 O ATOM 731 CB ARG A 48 -3.800 -10.798 37.062 1.00 0.00 C ATOM 732 CG ARG A 48 -5.208 -10.226 37.017 1.00 0.00 C ATOM 733 CD ARG A 48 -5.701 -9.849 38.405 1.00 0.00 C ATOM 734 NE ARG A 48 -7.142 -10.043 38.545 1.00 0.00 N ATOM 735 CZ ARG A 48 -7.769 -10.068 39.716 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.086 -9.913 40.841 1.00 0.00 N ATOM 737 NH2 ARG A 48 -9.083 -10.249 39.762 1.00 0.00 N ATOM 0 H ARG A 48 -2.634 -10.969 39.259 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.679 -12.369 38.233 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.131 -10.060 37.506 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.454 -10.969 36.043 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.224 -9.347 36.373 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.885 -10.957 36.575 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.180 -10.450 39.150 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.454 -8.807 38.607 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.697 -10.166 37.698 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.076 -9.774 40.809 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.570 -9.933 41.738 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.612 -10.369 38.898 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.564 -10.268 40.661 1.00 0.00 H new ATOM 751 N LYS A 49 -3.720 -14.431 37.166 1.00 0.00 N ATOM 752 CA LYS A 49 -3.343 -15.588 36.362 1.00 0.00 C ATOM 753 C LYS A 49 -4.034 -15.555 35.003 1.00 0.00 C ATOM 754 O LYS A 49 -3.403 -15.772 33.970 1.00 0.00 O ATOM 755 CB LYS A 49 -3.700 -16.883 37.096 1.00 0.00 C ATOM 756 CG LYS A 49 -2.496 -17.750 37.419 1.00 0.00 C ATOM 757 CD LYS A 49 -2.769 -18.666 38.600 1.00 0.00 C ATOM 758 CE LYS A 49 -3.478 -19.940 38.166 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.213 -21.068 39.101 1.00 0.00 N ATOM 0 H LYS A 49 -4.395 -14.633 37.904 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.265 -15.553 36.203 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.218 -16.635 38.023 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.397 -17.457 36.485 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.233 -18.348 36.547 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.638 -17.115 37.641 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.829 -18.920 39.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.379 -18.141 39.335 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.551 -19.758 38.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.150 -20.215 37.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.714 -21.918 38.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.191 -21.259 39.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.549 -20.816 40.053 1.00 0.00 H new ATOM 773 N ASN A 50 -5.335 -15.280 35.012 1.00 0.00 N ATOM 774 CA ASN A 50 -6.111 -15.218 33.779 1.00 0.00 C ATOM 775 C ASN A 50 -5.857 -13.906 33.042 1.00 0.00 C ATOM 776 O ASN A 50 -6.794 -13.219 32.636 1.00 0.00 O ATOM 777 CB ASN A 50 -7.603 -15.365 34.083 1.00 0.00 C ATOM 778 CG ASN A 50 -8.043 -16.815 34.136 1.00 0.00 C ATOM 779 OD1 ASN A 50 -8.547 -17.359 33.153 1.00 0.00 O ATOM 780 ND2 ASN A 50 -7.854 -17.449 35.288 1.00 0.00 N ATOM 0 H ASN A 50 -5.873 -15.097 35.859 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.795 -16.041 33.138 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.825 -14.886 35.036 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.180 -14.841 33.321 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.130 -18.426 35.384 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.433 -16.959 36.077 1.00 0.00 H new ATOM 787 N PHE A 51 -4.584 -13.566 32.872 1.00 0.00 N ATOM 788 CA PHE A 51 -4.206 -12.337 32.184 1.00 0.00 C ATOM 789 C PHE A 51 -2.859 -12.497 31.485 1.00 0.00 C ATOM 790 O PHE A 51 -2.025 -13.304 31.897 1.00 0.00 O ATOM 791 CB PHE A 51 -4.145 -11.172 33.174 1.00 0.00 C ATOM 792 CG PHE A 51 -2.999 -10.233 32.925 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.974 -9.435 31.792 1.00 0.00 C ATOM 794 CD2 PHE A 51 -1.947 -10.149 33.822 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.922 -8.570 31.560 1.00 0.00 C ATOM 796 CE2 PHE A 51 -0.893 -9.285 33.595 1.00 0.00 C ATOM 797 CZ PHE A 51 -0.879 -8.496 32.462 1.00 0.00 C ATOM 0 H PHE A 51 -3.796 -14.124 33.201 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.963 -12.124 31.430 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.080 -10.613 33.123 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.065 -11.569 34.186 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.786 -9.490 31.082 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.951 -10.766 34.709 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.915 -7.952 30.674 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.080 -9.227 34.304 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.054 -7.823 32.282 1.00 0.00 H new ATOM 807 N VAL A 52 -2.654 -11.722 30.425 1.00 0.00 N ATOM 808 CA VAL A 52 -1.409 -11.776 29.668 1.00 0.00 C ATOM 809 C VAL A 52 -1.092 -10.427 29.034 1.00 0.00 C ATOM 810 O VAL A 52 -1.981 -9.689 28.608 1.00 0.00 O ATOM 811 CB VAL A 52 -1.470 -12.848 28.563 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.953 -12.288 27.247 1.00 0.00 C ATOM 813 CG2 VAL A 52 -0.680 -14.082 28.974 1.00 0.00 C ATOM 0 H VAL A 52 -3.334 -11.049 30.071 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.621 -12.037 30.374 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.510 -13.141 28.422 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.004 -13.059 26.478 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.565 -11.437 26.948 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.081 -11.966 27.370 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.734 -14.829 28.182 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.361 -13.808 29.144 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.101 -14.495 29.891 1.00 0.00 H new ATOM 823 N PRO A 53 0.206 -10.094 28.969 1.00 0.00 N ATOM 824 CA PRO A 53 0.671 -8.831 28.388 1.00 0.00 C ATOM 825 C PRO A 53 0.482 -8.785 26.875 1.00 0.00 C ATOM 826 O PRO A 53 0.244 -9.810 26.238 1.00 0.00 O ATOM 827 CB PRO A 53 2.160 -8.805 28.742 1.00 0.00 C ATOM 828 CG PRO A 53 2.536 -10.237 28.904 1.00 0.00 C ATOM 829 CD PRO A 53 1.319 -10.925 29.458 1.00 0.00 C ATOM 0 HA PRO A 53 0.113 -7.976 28.770 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.746 -8.329 27.956 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.339 -8.243 29.658 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.830 -10.673 27.950 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.385 -10.343 29.579 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.241 -11.952 29.101 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.341 -10.966 30.547 1.00 0.00 H new ATOM 837 N GLY A 54 0.591 -7.588 26.306 1.00 0.00 N ATOM 838 CA GLY A 54 0.430 -7.431 24.872 1.00 0.00 C ATOM 839 C GLY A 54 -0.662 -6.442 24.517 1.00 0.00 C ATOM 840 O GLY A 54 -1.426 -6.660 23.576 1.00 0.00 O ATOM 0 H GLY A 54 0.788 -6.725 26.812 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.373 -7.098 24.438 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.198 -8.399 24.427 1.00 0.00 H new ATOM 844 N LYS A 55 -0.739 -5.351 25.271 1.00 0.00 N ATOM 845 CA LYS A 55 -1.745 -4.324 25.032 1.00 0.00 C ATOM 846 C LYS A 55 -1.477 -3.090 25.887 1.00 0.00 C ATOM 847 O LYS A 55 -0.330 -2.791 26.222 1.00 0.00 O ATOM 848 CB LYS A 55 -3.143 -4.871 25.330 1.00 0.00 C ATOM 849 CG LYS A 55 -4.205 -4.389 24.357 1.00 0.00 C ATOM 850 CD LYS A 55 -4.074 -5.071 23.006 1.00 0.00 C ATOM 851 CE LYS A 55 -5.147 -4.600 22.037 1.00 0.00 C ATOM 852 NZ LYS A 55 -5.011 -5.245 20.702 1.00 0.00 N ATOM 0 H LYS A 55 -0.115 -5.155 26.054 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.691 -4.035 23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.110 -5.960 25.308 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.430 -4.581 26.341 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.194 -4.585 24.770 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.121 -3.310 24.230 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.089 -4.865 22.588 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.147 -6.151 23.134 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.131 -4.822 22.449 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.085 -3.517 21.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.761 -4.898 20.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.082 -5.012 20.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.095 -6.276 20.805 1.00 0.00 H new ATOM 866 N HIS A 56 -2.542 -2.376 26.240 1.00 0.00 N ATOM 867 CA HIS A 56 -2.422 -1.176 27.058 1.00 0.00 C ATOM 868 C HIS A 56 -2.062 -1.533 28.497 1.00 0.00 C ATOM 869 O HIS A 56 -1.867 -0.654 29.337 1.00 0.00 O ATOM 870 CB HIS A 56 -3.727 -0.379 27.029 1.00 0.00 C ATOM 871 CG HIS A 56 -4.571 -0.658 25.824 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.658 -1.506 25.846 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.484 -0.193 24.556 1.00 0.00 C ATOM 874 CE1 HIS A 56 -6.202 -1.553 24.643 1.00 0.00 C ATOM 875 NE2 HIS A 56 -5.509 -0.765 23.842 1.00 0.00 N ATOM 0 H HIS A 56 -3.498 -2.609 25.971 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.622 -0.563 26.643 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.302 -0.607 27.926 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.494 0.685 27.061 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.747 0.499 24.176 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.066 -2.137 24.363 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.703 -0.607 22.853 1.00 0.00 H new ATOM 883 N THR A 57 -1.977 -2.830 28.776 1.00 0.00 N ATOM 884 CA THR A 57 -1.644 -3.304 30.114 1.00 0.00 C ATOM 885 C THR A 57 -0.416 -2.585 30.662 1.00 0.00 C ATOM 886 O THR A 57 0.646 -2.588 30.040 1.00 0.00 O ATOM 887 CB THR A 57 -1.382 -4.822 30.123 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.101 -5.450 29.055 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.799 -5.435 31.451 1.00 0.00 C ATOM 0 H THR A 57 -2.134 -3.571 28.093 1.00 0.00 H new ATOM 0 HA THR A 57 -2.503 -3.087 30.749 1.00 0.00 H new ATOM 0 HB THR A 57 -0.313 -4.985 29.985 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.928 -6.414 29.067 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.605 -6.507 31.434 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.229 -4.976 32.259 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.863 -5.262 31.614 1.00 0.00 H new ATOM 897 N PHE A 58 -0.569 -1.970 31.830 1.00 0.00 N ATOM 898 CA PHE A 58 0.528 -1.246 32.461 1.00 0.00 C ATOM 899 C PHE A 58 0.445 -1.352 33.981 1.00 0.00 C ATOM 900 O PHE A 58 -0.577 -1.764 34.532 1.00 0.00 O ATOM 901 CB PHE A 58 0.507 0.224 32.039 1.00 0.00 C ATOM 902 CG PHE A 58 0.186 1.167 33.164 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.186 1.628 34.005 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.115 1.591 33.380 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.894 2.495 35.041 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.413 2.458 34.414 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.407 2.911 35.245 1.00 0.00 C ATOM 0 H PHE A 58 -1.441 -1.959 32.358 1.00 0.00 H new ATOM 0 HA PHE A 58 1.465 -1.697 32.133 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.479 0.487 31.621 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.228 0.355 31.245 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.205 1.306 33.849 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.905 1.240 32.733 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.682 2.847 35.690 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.431 2.781 34.572 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.637 3.589 36.053 1.00 0.00 H new ATOM 917 N LEU A 59 1.527 -0.976 34.654 1.00 0.00 N ATOM 918 CA LEU A 59 1.578 -1.028 36.111 1.00 0.00 C ATOM 919 C LEU A 59 2.129 0.274 36.684 1.00 0.00 C ATOM 920 O LEU A 59 3.075 0.850 36.145 1.00 0.00 O ATOM 921 CB LEU A 59 2.441 -2.205 36.569 1.00 0.00 C ATOM 922 CG LEU A 59 1.704 -3.523 36.812 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.622 -4.531 37.487 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.457 -3.289 37.652 1.00 0.00 C ATOM 0 H LEU A 59 2.381 -0.632 34.214 1.00 0.00 H new ATOM 0 HA LEU A 59 0.562 -1.165 36.481 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.213 -2.377 35.819 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.949 -1.920 37.491 1.00 0.00 H new ATOM 0 HG LEU A 59 1.398 -3.930 35.848 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.081 -5.463 37.652 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.485 -4.721 36.849 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.959 -4.133 38.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.055 -4.237 37.815 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.741 -2.860 38.613 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.209 -2.602 37.130 1.00 0.00 H new ATOM 936 N CYS A 60 1.533 0.731 37.780 1.00 0.00 N ATOM 937 CA CYS A 60 1.964 1.964 38.427 1.00 0.00 C ATOM 938 C CYS A 60 3.396 1.837 38.941 1.00 0.00 C ATOM 939 O CYS A 60 3.928 0.733 39.061 1.00 0.00 O ATOM 940 CB CYS A 60 1.026 2.313 39.584 1.00 0.00 C ATOM 941 SG CYS A 60 -0.743 2.257 39.149 1.00 0.00 S ATOM 0 H CYS A 60 0.750 0.266 38.239 1.00 0.00 H new ATOM 0 HA CYS A 60 1.931 2.763 37.687 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.209 1.622 40.407 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.269 3.312 39.946 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.060 1.053 38.774 1.00 0.00 H new ATOM 946 N SER A 61 4.014 2.975 39.242 1.00 0.00 N ATOM 947 CA SER A 61 5.385 2.992 39.739 1.00 0.00 C ATOM 948 C SER A 61 5.410 2.979 41.264 1.00 0.00 C ATOM 949 O SER A 61 6.453 2.755 41.878 1.00 0.00 O ATOM 950 CB SER A 61 6.124 4.225 39.215 1.00 0.00 C ATOM 951 OG SER A 61 6.895 3.908 38.069 1.00 0.00 O ATOM 0 H SER A 61 3.587 3.897 39.150 1.00 0.00 H new ATOM 0 HA SER A 61 5.888 2.095 39.378 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.405 5.007 38.969 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.773 4.623 39.995 1.00 0.00 H new ATOM 0 HG SER A 61 7.356 4.713 37.752 1.00 0.00 H new ATOM 957 N LYS A 62 4.253 3.221 41.871 1.00 0.00 N ATOM 958 CA LYS A 62 4.138 3.238 43.324 1.00 0.00 C ATOM 959 C LYS A 62 4.480 1.872 43.912 1.00 0.00 C ATOM 960 O LYS A 62 5.226 1.774 44.887 1.00 0.00 O ATOM 961 CB LYS A 62 2.723 3.644 43.741 1.00 0.00 C ATOM 962 CG LYS A 62 2.588 5.120 44.076 1.00 0.00 C ATOM 963 CD LYS A 62 1.132 5.552 44.115 1.00 0.00 C ATOM 964 CE LYS A 62 0.594 5.571 45.538 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.819 5.104 45.603 1.00 0.00 N ATOM 0 H LYS A 62 3.380 3.408 41.378 1.00 0.00 H new ATOM 0 HA LYS A 62 4.847 3.970 43.711 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.031 3.398 42.936 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.425 3.054 44.608 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.053 5.319 45.041 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.125 5.713 43.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.034 6.544 43.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.534 4.873 43.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.216 4.937 46.170 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.661 6.583 45.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.149 5.132 46.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.417 5.724 45.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.879 4.129 45.245 1.00 0.00 H new ATOM 979 N HIS A 63 3.931 0.820 43.312 1.00 0.00 N ATOM 980 CA HIS A 63 4.180 -0.540 43.775 1.00 0.00 C ATOM 981 C HIS A 63 5.675 -0.844 43.791 1.00 0.00 C ATOM 982 O HIS A 63 6.200 -1.378 44.768 1.00 0.00 O ATOM 983 CB HIS A 63 3.452 -1.546 42.883 1.00 0.00 C ATOM 984 CG HIS A 63 2.027 -1.179 42.604 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.053 -1.151 43.580 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.414 -0.822 41.452 1.00 0.00 C ATOM 987 CE1 HIS A 63 -0.098 -0.795 43.039 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.094 -0.588 41.748 1.00 0.00 N ATOM 0 H HIS A 63 3.311 0.884 42.504 1.00 0.00 H new ATOM 0 HA HIS A 63 3.799 -0.626 44.793 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.987 -1.635 41.938 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.480 -2.527 43.358 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.199 -1.371 44.565 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.877 -0.737 40.480 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.037 -0.691 43.563 1.00 0.00 H new ATOM 996 N PHE A 64 6.355 -0.500 42.702 1.00 0.00 N ATOM 997 CA PHE A 64 7.789 -0.738 42.591 1.00 0.00 C ATOM 998 C PHE A 64 8.556 0.054 43.646 1.00 0.00 C ATOM 999 O PHE A 64 7.989 0.905 44.330 1.00 0.00 O ATOM 1000 CB PHE A 64 8.283 -0.359 41.193 1.00 0.00 C ATOM 1001 CG PHE A 64 7.869 -1.332 40.126 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.592 -1.291 39.591 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.757 -2.287 39.659 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.209 -2.186 38.610 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.380 -3.184 38.678 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.104 -3.133 38.152 1.00 0.00 C ATOM 0 H PHE A 64 5.936 -0.056 41.885 1.00 0.00 H new ATOM 0 HA PHE A 64 7.970 -1.800 42.758 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.903 0.630 40.938 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.371 -0.289 41.207 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.888 -0.552 39.944 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.756 -2.331 40.067 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.210 -2.145 38.202 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.082 -3.924 38.323 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.807 -3.832 37.384 1.00 0.00 H new ATOM 1016 N GLU A 65 9.848 -0.233 43.770 1.00 0.00 N ATOM 1017 CA GLU A 65 10.692 0.452 44.742 1.00 0.00 C ATOM 1018 C GLU A 65 11.429 1.621 44.095 1.00 0.00 C ATOM 1019 O GLU A 65 11.972 2.484 44.785 1.00 0.00 O ATOM 1020 CB GLU A 65 11.699 -0.524 45.354 1.00 0.00 C ATOM 1021 CG GLU A 65 11.062 -1.572 46.253 1.00 0.00 C ATOM 1022 CD GLU A 65 12.061 -2.219 47.192 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.087 -2.736 46.704 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.816 -2.207 48.417 1.00 0.00 O ATOM 0 H GLU A 65 10.333 -0.934 43.210 1.00 0.00 H new ATOM 0 HA GLU A 65 10.049 0.842 45.531 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.240 -1.026 44.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.434 0.039 45.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.267 -1.109 46.837 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.598 -2.341 45.636 1.00 0.00 H new ATOM 1031 N ALA A 66 11.442 1.641 42.767 1.00 0.00 N ATOM 1032 CA ALA A 66 12.111 2.704 42.026 1.00 0.00 C ATOM 1033 C ALA A 66 13.624 2.518 42.044 1.00 0.00 C ATOM 1034 O ALA A 66 14.356 3.236 41.362 1.00 0.00 O ATOM 1035 CB ALA A 66 11.738 4.063 42.600 1.00 0.00 C ATOM 0 H ALA A 66 10.997 0.934 42.182 1.00 0.00 H new ATOM 0 HA ALA A 66 11.778 2.655 40.989 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.245 4.847 42.037 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.660 4.204 42.529 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.042 4.112 43.645 1.00 0.00 H new ATOM 1041 N SER A 67 14.087 1.550 42.828 1.00 0.00 N ATOM 1042 CA SER A 67 15.515 1.272 42.938 1.00 0.00 C ATOM 1043 C SER A 67 15.996 0.427 41.762 1.00 0.00 C ATOM 1044 O SER A 67 17.175 0.085 41.671 1.00 0.00 O ATOM 1045 CB SER A 67 15.816 0.553 44.254 1.00 0.00 C ATOM 1046 OG SER A 67 16.443 1.424 45.179 1.00 0.00 O ATOM 0 H SER A 67 13.495 0.945 43.397 1.00 0.00 H new ATOM 0 HA SER A 67 16.048 2.223 42.922 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.890 0.168 44.682 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.460 -0.306 44.064 1.00 0.00 H new ATOM 0 HG SER A 67 16.623 0.941 46.012 1.00 0.00 H new ATOM 1052 N CYS A 68 15.074 0.095 40.865 1.00 0.00 N ATOM 1053 CA CYS A 68 15.403 -0.711 39.694 1.00 0.00 C ATOM 1054 C CYS A 68 15.400 0.141 38.429 1.00 0.00 C ATOM 1055 O CYS A 68 15.598 -0.367 37.325 1.00 0.00 O ATOM 1056 CB CYS A 68 14.410 -1.865 39.548 1.00 0.00 C ATOM 1057 SG CYS A 68 15.157 -3.505 39.694 1.00 0.00 S ATOM 0 H CYS A 68 14.094 0.371 40.926 1.00 0.00 H new ATOM 0 HA CYS A 68 16.404 -1.118 39.834 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.635 -1.762 40.308 1.00 0.00 H new ATOM 0 HB3 CYS A 68 13.918 -1.787 38.578 1.00 0.00 H new ATOM 0 HG CYS A 68 14.238 -4.414 39.559 1.00 0.00 H new ATOM 1063 N PHE A 69 15.174 1.440 38.598 1.00 0.00 N ATOM 1064 CA PHE A 69 15.143 2.363 37.469 1.00 0.00 C ATOM 1065 C PHE A 69 16.556 2.751 37.045 1.00 0.00 C ATOM 1066 O PHE A 69 17.539 2.282 37.618 1.00 0.00 O ATOM 1067 CB PHE A 69 14.344 3.617 37.831 1.00 0.00 C ATOM 1068 CG PHE A 69 12.863 3.381 37.913 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.351 2.385 38.728 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.983 4.157 37.175 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.988 2.166 38.805 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.619 3.942 37.248 1.00 0.00 C ATOM 1073 CZ PHE A 69 10.121 2.946 38.065 1.00 0.00 C ATOM 0 H PHE A 69 15.010 1.877 39.505 1.00 0.00 H new ATOM 0 HA PHE A 69 14.657 1.860 36.633 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.697 3.999 38.789 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.540 4.390 37.088 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.024 1.773 39.310 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.367 4.938 36.536 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.601 1.385 39.443 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.944 4.552 36.667 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.056 2.777 38.125 1.00 0.00 H new ATOM 1083 N ASP A 70 16.649 3.611 36.036 1.00 0.00 N ATOM 1084 CA ASP A 70 17.941 4.064 35.534 1.00 0.00 C ATOM 1085 C ASP A 70 18.244 5.481 36.012 1.00 0.00 C ATOM 1086 O ASP A 70 17.845 6.459 35.378 1.00 0.00 O ATOM 1087 CB ASP A 70 17.965 4.011 34.006 1.00 0.00 C ATOM 1088 CG ASP A 70 19.299 3.537 33.464 1.00 0.00 C ATOM 1089 OD1 ASP A 70 20.090 2.970 34.247 1.00 0.00 O ATOM 1090 OD2 ASP A 70 19.552 3.732 32.257 1.00 0.00 O ATOM 0 H ASP A 70 15.845 4.008 35.550 1.00 0.00 H new ATOM 0 HA ASP A 70 18.709 3.397 35.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.177 3.345 33.656 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.745 5.002 33.608 1.00 0.00 H new ATOM 1095 N LEU A 71 18.949 5.584 37.133 1.00 0.00 N ATOM 1096 CA LEU A 71 19.304 6.881 37.697 1.00 0.00 C ATOM 1097 C LEU A 71 20.796 7.154 37.538 1.00 0.00 C ATOM 1098 O LEU A 71 21.232 8.306 37.534 1.00 0.00 O ATOM 1099 CB LEU A 71 18.918 6.940 39.176 1.00 0.00 C ATOM 1100 CG LEU A 71 17.546 6.369 39.535 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.607 4.852 39.631 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.044 6.968 40.840 1.00 0.00 C ATOM 0 H LEU A 71 19.286 4.785 37.669 1.00 0.00 H new ATOM 0 HA LEU A 71 18.753 7.648 37.153 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.674 6.404 39.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.952 7.981 39.498 1.00 0.00 H new ATOM 0 HG LEU A 71 16.845 6.634 38.743 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.621 4.464 39.887 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.922 4.439 38.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.322 4.565 40.402 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.066 6.550 41.080 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.745 6.734 41.641 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.960 8.050 40.735 1.00 0.00 H new ATOM 1152 N THR A 75 17.452 10.128 33.275 1.00 0.00 N ATOM 1153 CA THR A 75 16.260 10.237 34.107 1.00 0.00 C ATOM 1154 C THR A 75 15.840 8.876 34.649 1.00 0.00 C ATOM 1155 O THR A 75 16.253 7.837 34.131 1.00 0.00 O ATOM 1156 CB THR A 75 15.083 10.851 33.325 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.900 10.838 34.131 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.833 10.085 32.035 1.00 0.00 C ATOM 0 HA THR A 75 16.515 10.893 34.939 1.00 0.00 H new ATOM 0 HB THR A 75 15.339 11.880 33.074 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.157 11.231 33.628 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.998 10.537 31.500 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.726 10.122 31.411 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.596 9.047 32.268 1.00 0.00 H new ATOM 1166 N ARG A 76 15.018 8.887 35.692 1.00 0.00 N ATOM 1167 CA ARG A 76 14.543 7.652 36.304 1.00 0.00 C ATOM 1168 C ARG A 76 13.734 6.827 35.307 1.00 0.00 C ATOM 1169 O ARG A 76 12.562 7.111 35.058 1.00 0.00 O ATOM 1170 CB ARG A 76 13.690 7.962 37.536 1.00 0.00 C ATOM 1171 CG ARG A 76 14.259 7.399 38.828 1.00 0.00 C ATOM 1172 CD ARG A 76 13.169 7.172 39.863 1.00 0.00 C ATOM 1173 NE ARG A 76 13.674 7.302 41.227 1.00 0.00 N ATOM 1174 CZ ARG A 76 14.189 8.425 41.716 1.00 0.00 C ATOM 1175 NH1 ARG A 76 14.267 9.508 40.955 1.00 0.00 N ATOM 1176 NH2 ARG A 76 14.628 8.466 42.967 1.00 0.00 N ATOM 0 H ARG A 76 14.667 9.738 36.132 1.00 0.00 H new ATOM 0 HA ARG A 76 15.413 7.071 36.610 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.588 9.043 37.634 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.688 7.560 37.384 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.769 6.458 38.623 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.005 8.086 39.228 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.364 7.889 39.705 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.742 6.178 39.728 1.00 0.00 H new ATOM 0 HE ARG A 76 13.629 6.486 41.838 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.931 9.480 39.992 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.663 10.369 41.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.571 7.635 43.555 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.023 9.329 43.341 1.00 0.00 H new ATOM 1190 N ARG A 77 14.367 5.806 34.739 1.00 0.00 N ATOM 1191 CA ARG A 77 13.707 4.942 33.768 1.00 0.00 C ATOM 1192 C ARG A 77 13.664 3.500 34.264 1.00 0.00 C ATOM 1193 O ARG A 77 14.687 2.935 34.654 1.00 0.00 O ATOM 1194 CB ARG A 77 14.430 5.008 32.421 1.00 0.00 C ATOM 1195 CG ARG A 77 14.406 6.387 31.783 1.00 0.00 C ATOM 1196 CD ARG A 77 14.702 6.317 30.293 1.00 0.00 C ATOM 1197 NE ARG A 77 13.567 5.798 29.534 1.00 0.00 N ATOM 1198 CZ ARG A 77 12.510 6.529 29.200 1.00 0.00 C ATOM 1199 NH1 ARG A 77 12.443 7.805 29.555 1.00 0.00 N ATOM 1200 NH2 ARG A 77 11.517 5.985 28.508 1.00 0.00 N ATOM 0 H ARG A 77 15.337 5.557 34.935 1.00 0.00 H new ATOM 0 HA ARG A 77 12.684 5.295 33.641 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.466 4.699 32.559 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.972 4.293 31.737 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.429 6.845 31.940 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.140 7.028 32.271 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.959 7.311 29.927 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.571 5.681 30.125 1.00 0.00 H new ATOM 0 HE ARG A 77 13.588 4.820 29.245 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.205 8.227 30.086 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.630 8.364 29.297 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.565 5.004 28.232 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.706 6.548 28.252 1.00 0.00 H new ATOM 1214 N LEU A 78 12.474 2.910 34.249 1.00 0.00 N ATOM 1215 CA LEU A 78 12.296 1.534 34.698 1.00 0.00 C ATOM 1216 C LEU A 78 13.065 0.566 33.804 1.00 0.00 C ATOM 1217 O LEU A 78 12.718 0.370 32.639 1.00 0.00 O ATOM 1218 CB LEU A 78 10.811 1.167 34.707 1.00 0.00 C ATOM 1219 CG LEU A 78 10.446 -0.137 35.418 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.312 -1.281 34.913 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.591 0.019 36.925 1.00 0.00 C ATOM 0 H LEU A 78 11.618 3.363 33.931 1.00 0.00 H new ATOM 0 HA LEU A 78 12.689 1.455 35.711 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.259 1.981 35.177 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.467 1.103 33.675 1.00 0.00 H new ATOM 0 HG LEU A 78 9.405 -0.371 35.195 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.038 -2.201 35.430 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.159 -1.408 33.841 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.361 -1.055 35.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.327 -0.918 37.415 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.622 0.277 37.167 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.928 0.810 37.274 1.00 0.00 H new ATOM 1233 N LYS A 79 14.110 -0.040 34.357 1.00 0.00 N ATOM 1234 CA LYS A 79 14.927 -0.991 33.613 1.00 0.00 C ATOM 1235 C LYS A 79 14.081 -2.152 33.102 1.00 0.00 C ATOM 1236 O LYS A 79 13.234 -2.679 33.823 1.00 0.00 O ATOM 1237 CB LYS A 79 16.061 -1.520 34.494 1.00 0.00 C ATOM 1238 CG LYS A 79 17.291 -0.630 34.503 1.00 0.00 C ATOM 1239 CD LYS A 79 17.784 -0.374 35.917 1.00 0.00 C ATOM 1240 CE LYS A 79 19.299 -0.242 35.964 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.858 0.202 34.657 1.00 0.00 N ATOM 0 H LYS A 79 14.411 0.111 35.320 1.00 0.00 H new ATOM 0 HA LYS A 79 15.354 -0.472 32.755 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.695 -1.630 35.515 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.345 -2.514 34.148 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.084 -1.098 33.919 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.058 0.319 34.021 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.326 0.536 36.304 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.469 -1.190 36.567 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.577 0.472 36.739 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.739 -1.200 36.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.814 0.586 34.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.904 -0.608 34.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.247 0.939 34.250 1.00 0.00 H new ATOM 1255 N MET A 80 14.316 -2.547 31.855 1.00 0.00 N ATOM 1256 CA MET A 80 13.577 -3.649 31.250 1.00 0.00 C ATOM 1257 C MET A 80 13.868 -4.961 31.972 1.00 0.00 C ATOM 1258 O MET A 80 13.242 -5.984 31.696 1.00 0.00 O ATOM 1259 CB MET A 80 13.934 -3.778 29.768 1.00 0.00 C ATOM 1260 CG MET A 80 14.122 -2.441 29.069 1.00 0.00 C ATOM 1261 SD MET A 80 13.565 -2.470 27.355 1.00 0.00 S ATOM 1262 CE MET A 80 12.588 -0.971 27.291 1.00 0.00 C ATOM 0 H MET A 80 15.012 -2.120 31.244 1.00 0.00 H new ATOM 0 HA MET A 80 12.513 -3.433 31.342 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.850 -4.360 29.673 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.147 -4.336 29.261 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.574 -1.671 29.612 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.176 -2.164 29.100 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.174 -0.849 26.290 1.00 0.00 H new ATOM 0 HE2 MET A 80 11.775 -1.035 28.014 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.219 -0.115 27.530 1.00 0.00 H new ATOM 1272 N ASP A 81 14.821 -4.923 32.897 1.00 0.00 N ATOM 1273 CA ASP A 81 15.195 -6.109 33.659 1.00 0.00 C ATOM 1274 C ASP A 81 14.702 -6.007 35.099 1.00 0.00 C ATOM 1275 O ASP A 81 15.181 -6.719 35.981 1.00 0.00 O ATOM 1276 CB ASP A 81 16.713 -6.297 33.638 1.00 0.00 C ATOM 1277 CG ASP A 81 17.251 -6.506 32.237 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.515 -6.221 31.270 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.409 -6.956 32.107 1.00 0.00 O ATOM 0 H ASP A 81 15.349 -4.084 33.137 1.00 0.00 H new ATOM 0 HA ASP A 81 14.723 -6.974 33.193 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.191 -5.423 34.081 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.979 -7.154 34.258 1.00 0.00 H new ATOM 1284 N ALA A 82 13.743 -5.116 35.329 1.00 0.00 N ATOM 1285 CA ALA A 82 13.184 -4.922 36.661 1.00 0.00 C ATOM 1286 C ALA A 82 11.789 -5.529 36.765 1.00 0.00 C ATOM 1287 O ALA A 82 10.999 -5.459 35.824 1.00 0.00 O ATOM 1288 CB ALA A 82 13.145 -3.441 37.006 1.00 0.00 C ATOM 0 H ALA A 82 13.337 -4.517 34.610 1.00 0.00 H new ATOM 0 HA ALA A 82 13.828 -5.433 37.376 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.725 -3.311 38.003 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.156 -3.035 36.982 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.525 -2.914 36.280 1.00 0.00 H new ATOM 1294 N VAL A 83 11.493 -6.125 37.916 1.00 0.00 N ATOM 1295 CA VAL A 83 10.192 -6.744 38.143 1.00 0.00 C ATOM 1296 C VAL A 83 9.580 -6.270 39.456 1.00 0.00 C ATOM 1297 O VAL A 83 10.281 -5.912 40.403 1.00 0.00 O ATOM 1298 CB VAL A 83 10.298 -8.281 38.165 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.740 -8.872 36.879 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.742 -8.712 38.377 1.00 0.00 C ATOM 0 H VAL A 83 12.136 -6.192 38.705 1.00 0.00 H new ATOM 0 HA VAL A 83 9.549 -6.443 37.316 1.00 0.00 H new ATOM 0 HB VAL A 83 9.704 -8.658 38.998 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.823 -9.958 36.912 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.692 -8.591 36.774 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.305 -8.491 36.028 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.799 -9.800 38.390 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.360 -8.326 37.566 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.103 -8.319 39.327 1.00 0.00 H new ATOM 1310 N PRO A 84 8.240 -6.266 39.517 1.00 0.00 N ATOM 1311 CA PRO A 84 7.503 -5.839 40.710 1.00 0.00 C ATOM 1312 C PRO A 84 7.650 -6.822 41.865 1.00 0.00 C ATOM 1313 O PRO A 84 6.843 -7.740 42.020 1.00 0.00 O ATOM 1314 CB PRO A 84 6.050 -5.790 40.230 1.00 0.00 C ATOM 1315 CG PRO A 84 5.995 -6.749 39.091 1.00 0.00 C ATOM 1316 CD PRO A 84 7.342 -6.679 38.426 1.00 0.00 C ATOM 0 HA PRO A 84 7.870 -4.889 41.098 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.361 -6.078 41.024 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.771 -4.785 39.915 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.785 -7.760 39.441 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.201 -6.482 38.394 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.634 -7.642 38.008 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.349 -5.961 37.606 1.00 0.00 H new ATOM 1324 N THR A 85 8.685 -6.625 42.676 1.00 0.00 N ATOM 1325 CA THR A 85 8.938 -7.495 43.818 1.00 0.00 C ATOM 1326 C THR A 85 8.012 -7.158 44.982 1.00 0.00 C ATOM 1327 O THR A 85 8.158 -7.698 46.079 1.00 0.00 O ATOM 1328 CB THR A 85 10.400 -7.389 44.292 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.843 -6.030 44.211 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.307 -8.275 43.451 1.00 0.00 C ATOM 0 H THR A 85 9.362 -5.870 42.563 1.00 0.00 H new ATOM 0 HA THR A 85 8.744 -8.515 43.487 1.00 0.00 H new ATOM 0 HB THR A 85 10.449 -7.726 45.328 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.773 -5.970 44.516 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.334 -8.184 43.804 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.984 -9.313 43.538 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.253 -7.964 42.408 1.00 0.00 H new ATOM 1338 N ILE A 86 7.061 -6.265 44.735 1.00 0.00 N ATOM 1339 CA ILE A 86 6.110 -5.858 45.763 1.00 0.00 C ATOM 1340 C ILE A 86 4.674 -6.067 45.297 1.00 0.00 C ATOM 1341 O ILE A 86 4.409 -6.186 44.100 1.00 0.00 O ATOM 1342 CB ILE A 86 6.302 -4.381 46.154 1.00 0.00 C ATOM 1343 CG1 ILE A 86 7.790 -4.060 46.305 1.00 0.00 C ATOM 1344 CG2 ILE A 86 5.554 -4.073 47.443 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.337 -3.193 45.192 1.00 0.00 C ATOM 0 H ILE A 86 6.928 -5.809 43.832 1.00 0.00 H new ATOM 0 HA ILE A 86 6.301 -6.484 46.635 1.00 0.00 H new ATOM 0 HB ILE A 86 5.893 -3.754 45.361 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.950 -3.557 47.259 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.353 -4.993 46.338 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.699 -3.025 47.707 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.491 -4.268 47.302 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.935 -4.705 48.245 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.397 -3.006 45.364 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.209 -3.703 44.237 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.800 -2.245 45.172 1.00 0.00 H new ATOM 1357 N PHE A 87 3.748 -6.108 46.250 1.00 0.00 N ATOM 1358 CA PHE A 87 2.337 -6.302 45.937 1.00 0.00 C ATOM 1359 C PHE A 87 1.512 -6.445 47.213 1.00 0.00 C ATOM 1360 O PHE A 87 0.397 -5.932 47.305 1.00 0.00 O ATOM 1361 CB PHE A 87 2.153 -7.538 45.055 1.00 0.00 C ATOM 1362 CG PHE A 87 2.038 -7.220 43.592 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.109 -6.295 43.142 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.858 -7.844 42.667 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.000 -6.001 41.796 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.755 -7.553 41.319 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.825 -6.630 40.884 1.00 0.00 C ATOM 0 H PHE A 87 3.950 -6.009 47.245 1.00 0.00 H new ATOM 0 HA PHE A 87 1.986 -5.424 45.395 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.997 -8.211 45.207 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.258 -8.072 45.374 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.463 -5.798 43.851 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.587 -8.567 43.002 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.270 -5.280 41.458 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.401 -8.047 40.608 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.743 -6.400 39.832 1.00 0.00 H new