USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 628 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 141 GLN :FLIP amide:sc= -0.406 F(o=-1.6,f=-0.41) USER MOD Set 2.1: A 104 CYS SG : rot -113:sc= -4.37! USER MOD Set 2.2: A 107 CYS SG : rot 121:sc= 2.15! USER MOD Set 2.3: A 120 HIS : no HE2:sc= -7.14! C(o=-10!,f=-30!) USER MOD Set 2.4: A 125 HIS : +bothHN:sc= -0.873 K(o=-10,f=-28!) USER MOD Set 3.1: A 72 CYS SG : rot -26:sc= -3.07! USER MOD Set 3.2: A 75 CYS SG : rot -84:sc= -6.19! USER MOD Set 3.3: A 88 HIS : no HD1:sc= 0.299! C(o=-14!,f=-36!) USER MOD Set 3.4: A 93 HIS : no HD1:sc= -4.99! C(o=-14!,f=-18!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0.00476 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.4!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.0497 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0717 F(o=-0.94!,f=-0.072) USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0631 (180deg=-0.385) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 26:sc= 0.0649 USER MOD Single : A 101 SER OG : rot -140:sc= -1.44! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.167 F(o=-1.7!,f=-0.17) USER MOD Single : A 111 THR OG1 : rot 69:sc= -0.484 USER MOD Single : A 112 LYS NZ :NH3+ 165:sc= -0.0416 (180deg=-0.256) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -150:sc= -1.64 USER MOD Single : A 130 ASN :FLIP amide:sc= -0.697 F(o=-1.5,f=-0.7) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 131:sc=-0.00644 (180deg=-0.893) USER MOD Single : A 137 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.21) USER MOD Single : A 139 ASN : amide:sc= -0.227 K(o=-0.23,f=-0.85) USER MOD Single : A 140 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 142 THR OG1 : rot 32:sc= 0.0671 USER MOD Single : A 146 GLN :FLIP amide:sc= -0.628 F(o=-1.1,f=-0.63) USER MOD Single : A 147 THR OG1 : rot -152:sc= -3.7! USER MOD Single : A 149 ASN :FLIP amide:sc= -1.34 F(o=-3.4!,f=-1.3) USER MOD Single : A 152 THR OG1 : rot -91:sc= 0.939 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.469 5.427 -3.529 1.00 0.00 N ATOM 236 CA VAL A 66 -3.736 5.895 -2.377 1.00 0.00 C ATOM 237 C VAL A 66 -3.858 7.439 -2.235 1.00 0.00 C ATOM 238 O VAL A 66 -3.544 8.203 -3.152 1.00 0.00 O ATOM 239 CB VAL A 66 -2.229 5.411 -2.415 1.00 0.00 C ATOM 240 CG1 VAL A 66 -1.230 6.533 -2.681 1.00 0.00 C ATOM 241 CG2 VAL A 66 -1.872 4.669 -1.147 1.00 0.00 C ATOM 0 HA VAL A 66 -4.182 5.453 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.154 4.732 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.219 6.125 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.447 6.992 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.309 7.284 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.832 4.346 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.008 5.328 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.518 3.798 -1.041 1.00 0.00 H new ATOM 251 N GLU A 67 -4.415 7.874 -1.147 1.00 0.00 N ATOM 252 CA GLU A 67 -4.516 9.294 -0.890 1.00 0.00 C ATOM 253 C GLU A 67 -3.922 9.629 0.468 1.00 0.00 C ATOM 254 O GLU A 67 -3.144 10.578 0.612 1.00 0.00 O ATOM 255 CB GLU A 67 -5.963 9.746 -0.989 1.00 0.00 C ATOM 256 CG GLU A 67 -6.889 9.005 -0.057 1.00 0.00 C ATOM 257 CD GLU A 67 -8.310 9.483 -0.159 1.00 0.00 C ATOM 258 OE1 GLU A 67 -8.573 10.678 0.124 1.00 0.00 O ATOM 259 OE2 GLU A 67 -9.193 8.694 -0.563 1.00 0.00 O ATOM 0 H GLU A 67 -4.808 7.276 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.945 9.833 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.018 10.813 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.308 9.612 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.850 7.939 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.541 9.126 0.969 1.00 0.00 H new ATOM 266 N GLY A 68 -4.271 8.828 1.445 1.00 0.00 N ATOM 267 CA GLY A 68 -3.774 8.976 2.759 1.00 0.00 C ATOM 268 C GLY A 68 -4.054 7.745 3.529 1.00 0.00 C ATOM 269 O GLY A 68 -5.179 7.502 3.945 1.00 0.00 O ATOM 0 H GLY A 68 -4.919 8.048 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.701 9.167 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.240 9.835 3.242 1.00 0.00 H new ATOM 273 N GLY A 69 -3.070 6.937 3.628 1.00 0.00 N ATOM 274 CA GLY A 69 -3.178 5.712 4.345 1.00 0.00 C ATOM 275 C GLY A 69 -2.588 4.569 3.583 1.00 0.00 C ATOM 276 O GLY A 69 -1.857 4.773 2.620 1.00 0.00 O ATOM 0 H GLY A 69 -2.154 7.102 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.673 5.808 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.227 5.505 4.556 1.00 0.00 H new ATOM 280 N TYR A 70 -2.941 3.375 3.953 1.00 0.00 N ATOM 281 CA TYR A 70 -2.371 2.202 3.355 1.00 0.00 C ATOM 282 C TYR A 70 -3.409 1.493 2.533 1.00 0.00 C ATOM 283 O TYR A 70 -4.437 1.054 3.054 1.00 0.00 O ATOM 284 CB TYR A 70 -1.811 1.289 4.442 1.00 0.00 C ATOM 285 CG TYR A 70 -0.999 2.046 5.470 1.00 0.00 C ATOM 286 CD1 TYR A 70 0.120 2.779 5.100 1.00 0.00 C ATOM 287 CD2 TYR A 70 -1.395 2.079 6.797 1.00 0.00 C ATOM 288 CE1 TYR A 70 0.825 3.514 6.022 1.00 0.00 C ATOM 289 CE2 TYR A 70 -0.711 2.822 7.723 1.00 0.00 C ATOM 290 CZ TYR A 70 0.406 3.539 7.332 1.00 0.00 C ATOM 291 OH TYR A 70 1.092 4.311 8.250 1.00 0.00 O ATOM 0 H TYR A 70 -3.633 3.185 4.678 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.552 2.489 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.633 0.775 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.187 0.523 3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.442 2.771 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.258 1.509 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.702 4.068 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.041 2.848 8.751 1.00 0.00 H new ATOM 0 HH TYR A 70 0.672 4.223 9.131 1.00 0.00 H new ATOM 301 N GLU A 71 -3.164 1.456 1.255 1.00 0.00 N ATOM 302 CA GLU A 71 -4.015 0.793 0.304 1.00 0.00 C ATOM 303 C GLU A 71 -3.398 -0.552 0.028 1.00 0.00 C ATOM 304 O GLU A 71 -2.255 -0.610 -0.389 1.00 0.00 O ATOM 305 CB GLU A 71 -4.054 1.596 -1.005 1.00 0.00 C ATOM 306 CG GLU A 71 -4.859 0.939 -2.118 1.00 0.00 C ATOM 307 CD GLU A 71 -4.623 1.588 -3.468 1.00 0.00 C ATOM 308 OE1 GLU A 71 -3.445 1.676 -3.905 1.00 0.00 O ATOM 309 OE2 GLU A 71 -5.598 2.032 -4.115 1.00 0.00 O ATOM 0 H GLU A 71 -2.347 1.897 0.833 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.029 0.699 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.474 2.581 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.033 1.751 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.597 -0.118 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.920 0.992 -1.874 1.00 0.00 H new ATOM 316 N CYS A 72 -4.121 -1.607 0.316 1.00 0.00 N ATOM 317 CA CYS A 72 -3.645 -2.955 0.040 1.00 0.00 C ATOM 318 C CYS A 72 -3.489 -3.222 -1.453 1.00 0.00 C ATOM 319 O CYS A 72 -4.156 -2.636 -2.296 1.00 0.00 O ATOM 320 CB CYS A 72 -4.598 -4.016 0.557 1.00 0.00 C ATOM 321 SG CYS A 72 -4.915 -4.082 2.356 1.00 0.00 S ATOM 0 H CYS A 72 -5.046 -1.565 0.743 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.682 -3.013 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.555 -3.879 0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.213 -4.989 0.250 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.899 -3.582 2.994 1.00 0.00 H new ATOM 326 N LYS A 73 -2.605 -4.129 -1.747 1.00 0.00 N ATOM 327 CA LYS A 73 -2.426 -4.635 -3.073 1.00 0.00 C ATOM 328 C LYS A 73 -3.637 -5.476 -3.502 1.00 0.00 C ATOM 329 O LYS A 73 -4.082 -5.422 -4.648 1.00 0.00 O ATOM 330 CB LYS A 73 -1.140 -5.481 -3.116 1.00 0.00 C ATOM 331 CG LYS A 73 -0.948 -6.282 -4.392 1.00 0.00 C ATOM 332 CD LYS A 73 -0.890 -5.389 -5.596 1.00 0.00 C ATOM 333 CE LYS A 73 -0.792 -6.180 -6.867 1.00 0.00 C ATOM 334 NZ LYS A 73 -0.767 -5.318 -8.068 1.00 0.00 N ATOM 0 H LYS A 73 -1.977 -4.545 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.338 -3.800 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.283 -4.821 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.145 -6.168 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.028 -6.863 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.767 -6.993 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.780 -4.760 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.031 -4.723 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.111 -6.791 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.638 -6.864 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.342 -5.751 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.154 -4.382 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.213 -5.213 -8.400 1.00 0.00 H new ATOM 348 N TYR A 74 -4.189 -6.189 -2.561 1.00 0.00 N ATOM 349 CA TYR A 74 -5.203 -7.177 -2.851 1.00 0.00 C ATOM 350 C TYR A 74 -6.599 -6.743 -2.435 1.00 0.00 C ATOM 351 O TYR A 74 -7.540 -7.526 -2.511 1.00 0.00 O ATOM 352 CB TYR A 74 -4.805 -8.550 -2.255 1.00 0.00 C ATOM 353 CG TYR A 74 -3.603 -8.497 -1.315 1.00 0.00 C ATOM 354 CD1 TYR A 74 -2.296 -8.596 -1.809 1.00 0.00 C ATOM 355 CD2 TYR A 74 -3.769 -8.338 0.047 1.00 0.00 C ATOM 356 CE1 TYR A 74 -1.207 -8.533 -0.960 1.00 0.00 C ATOM 357 CE2 TYR A 74 -2.684 -8.278 0.900 1.00 0.00 C ATOM 358 CZ TYR A 74 -1.408 -8.374 0.394 1.00 0.00 C ATOM 359 OH TYR A 74 -0.333 -8.307 1.243 1.00 0.00 O ATOM 0 H TYR A 74 -3.953 -6.106 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.254 -7.281 -3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.658 -8.960 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.584 -9.238 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.137 -8.724 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.767 -8.259 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.205 -8.608 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.837 -8.156 1.962 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.650 -8.193 2.163 1.00 0.00 H new ATOM 369 N CYS A 75 -6.739 -5.494 -2.028 1.00 0.00 N ATOM 370 CA CYS A 75 -8.035 -4.947 -1.716 1.00 0.00 C ATOM 371 C CYS A 75 -7.942 -3.448 -1.800 1.00 0.00 C ATOM 372 O CYS A 75 -6.925 -2.878 -1.433 1.00 0.00 O ATOM 373 CB CYS A 75 -8.540 -5.385 -0.318 1.00 0.00 C ATOM 374 SG CYS A 75 -7.649 -4.674 1.144 1.00 0.00 S ATOM 0 H CYS A 75 -5.964 -4.842 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.760 -5.328 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.594 -5.119 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.480 -6.472 -0.259 1.00 0.00 H new ATOM 0 HG CYS A 75 -6.593 -5.388 1.398 1.00 0.00 H new ATOM 379 N THR A 76 -8.973 -2.816 -2.269 1.00 0.00 N ATOM 380 CA THR A 76 -8.987 -1.380 -2.399 1.00 0.00 C ATOM 381 C THR A 76 -9.518 -0.735 -1.079 1.00 0.00 C ATOM 382 O THR A 76 -10.020 0.393 -1.044 1.00 0.00 O ATOM 383 CB THR A 76 -9.841 -1.003 -3.637 1.00 0.00 C ATOM 384 OG1 THR A 76 -9.410 -1.838 -4.737 1.00 0.00 O ATOM 385 CG2 THR A 76 -9.624 0.454 -4.040 1.00 0.00 C ATOM 0 H THR A 76 -9.831 -3.275 -2.574 1.00 0.00 H new ATOM 0 HA THR A 76 -7.981 -0.992 -2.555 1.00 0.00 H new ATOM 0 HB THR A 76 -10.895 -1.145 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.935 -1.623 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.237 0.686 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.906 1.106 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.573 0.611 -4.284 1.00 0.00 H new ATOM 393 N PHE A 77 -9.374 -1.467 0.007 1.00 0.00 N ATOM 394 CA PHE A 77 -9.731 -0.982 1.304 1.00 0.00 C ATOM 395 C PHE A 77 -8.498 -0.317 1.885 1.00 0.00 C ATOM 396 O PHE A 77 -7.496 -0.994 2.199 1.00 0.00 O ATOM 397 CB PHE A 77 -10.205 -2.133 2.212 1.00 0.00 C ATOM 398 CG PHE A 77 -10.710 -1.700 3.575 1.00 0.00 C ATOM 399 CD1 PHE A 77 -9.847 -1.602 4.658 1.00 0.00 C ATOM 400 CD2 PHE A 77 -12.048 -1.402 3.769 1.00 0.00 C ATOM 401 CE1 PHE A 77 -10.308 -1.216 5.902 1.00 0.00 C ATOM 402 CE2 PHE A 77 -12.513 -1.013 5.012 1.00 0.00 C ATOM 403 CZ PHE A 77 -11.643 -0.922 6.078 1.00 0.00 C ATOM 0 H PHE A 77 -9.004 -2.417 0.004 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.557 -0.274 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -11.000 -2.676 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.380 -2.831 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -8.800 -1.831 4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -12.737 -1.474 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.624 -1.145 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -13.559 -0.780 5.148 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.007 -0.621 7.049 1.00 0.00 H new ATOM 413 N GLN A 78 -8.554 0.978 1.998 1.00 0.00 N ATOM 414 CA GLN A 78 -7.453 1.739 2.509 1.00 0.00 C ATOM 415 C GLN A 78 -7.761 2.282 3.878 1.00 0.00 C ATOM 416 O GLN A 78 -8.879 2.733 4.151 1.00 0.00 O ATOM 417 CB GLN A 78 -7.046 2.885 1.548 1.00 0.00 C ATOM 418 CG GLN A 78 -6.174 3.956 2.206 1.00 0.00 C ATOM 419 CD GLN A 78 -5.538 4.925 1.244 1.00 0.00 C ATOM 420 OE1 GLN A 78 -6.112 5.938 0.864 1.00 0.00 O ATOM 421 NE2 GLN A 78 -4.311 4.692 0.959 1.00 0.00 N ATOM 0 H GLN A 78 -9.367 1.537 1.738 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.604 1.060 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.509 2.462 0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.947 3.354 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.783 4.516 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.388 3.464 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.863 3.838 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.782 5.361 0.399 1.00 0.00 H new ATOM 430 N THR A 79 -6.785 2.203 4.729 1.00 0.00 N ATOM 431 CA THR A 79 -6.872 2.745 6.033 1.00 0.00 C ATOM 432 C THR A 79 -5.493 3.269 6.435 1.00 0.00 C ATOM 433 O THR A 79 -4.481 2.635 6.159 1.00 0.00 O ATOM 434 CB THR A 79 -7.405 1.703 7.072 1.00 0.00 C ATOM 435 OG1 THR A 79 -7.470 2.295 8.374 1.00 0.00 O ATOM 436 CG2 THR A 79 -6.526 0.458 7.130 1.00 0.00 C ATOM 0 H THR A 79 -5.894 1.751 4.525 1.00 0.00 H new ATOM 0 HA THR A 79 -7.593 3.562 6.027 1.00 0.00 H new ATOM 0 HB THR A 79 -8.401 1.402 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.083 1.778 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.931 -0.240 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.504 -0.018 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.514 0.741 7.419 1.00 0.00 H new ATOM 444 N PRO A 80 -5.421 4.494 6.951 1.00 0.00 N ATOM 445 CA PRO A 80 -4.177 5.062 7.495 1.00 0.00 C ATOM 446 C PRO A 80 -3.812 4.473 8.855 1.00 0.00 C ATOM 447 O PRO A 80 -2.818 4.855 9.471 1.00 0.00 O ATOM 448 CB PRO A 80 -4.487 6.556 7.616 1.00 0.00 C ATOM 449 CG PRO A 80 -5.968 6.623 7.743 1.00 0.00 C ATOM 450 CD PRO A 80 -6.510 5.480 6.932 1.00 0.00 C ATOM 0 HA PRO A 80 -3.319 4.845 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.994 6.994 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.139 7.105 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.273 6.540 8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.348 7.576 7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.423 5.076 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.753 5.790 5.915 1.00 0.00 H new ATOM 458 N ASP A 81 -4.617 3.568 9.332 1.00 0.00 N ATOM 459 CA ASP A 81 -4.343 2.928 10.586 1.00 0.00 C ATOM 460 C ASP A 81 -3.589 1.691 10.272 1.00 0.00 C ATOM 461 O ASP A 81 -4.123 0.819 9.609 1.00 0.00 O ATOM 462 CB ASP A 81 -5.619 2.495 11.245 1.00 0.00 C ATOM 463 CG ASP A 81 -5.537 2.463 12.739 1.00 0.00 C ATOM 464 OD1 ASP A 81 -4.948 1.528 13.283 1.00 0.00 O ATOM 465 OD2 ASP A 81 -6.083 3.373 13.392 1.00 0.00 O ATOM 0 H ASP A 81 -5.471 3.256 8.870 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.804 3.613 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.420 3.171 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.888 1.503 10.882 1.00 0.00 H new ATOM 470 N LEU A 82 -2.360 1.611 10.693 1.00 0.00 N ATOM 471 CA LEU A 82 -1.560 0.445 10.454 1.00 0.00 C ATOM 472 C LEU A 82 -2.218 -0.752 11.126 1.00 0.00 C ATOM 473 O LEU A 82 -2.305 -1.820 10.534 1.00 0.00 O ATOM 474 CB LEU A 82 -0.149 0.652 11.011 1.00 0.00 C ATOM 475 CG LEU A 82 1.012 -0.110 10.329 1.00 0.00 C ATOM 476 CD1 LEU A 82 0.750 -1.593 10.238 1.00 0.00 C ATOM 477 CD2 LEU A 82 1.265 0.453 8.964 1.00 0.00 C ATOM 0 H LEU A 82 -1.885 2.350 11.211 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.484 0.266 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.077 1.717 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.160 0.373 12.065 1.00 0.00 H new ATOM 0 HG LEU A 82 1.897 0.024 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.594 -2.082 9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.622 -2.002 11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.155 -1.768 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.084 -0.090 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.366 0.352 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.530 1.507 9.048 1.00 0.00 H new ATOM 489 N ASN A 83 -2.735 -0.548 12.327 1.00 0.00 N ATOM 490 CA ASN A 83 -3.347 -1.604 13.083 1.00 0.00 C ATOM 491 C ASN A 83 -4.531 -2.141 12.315 1.00 0.00 C ATOM 492 O ASN A 83 -4.673 -3.335 12.176 1.00 0.00 O ATOM 493 CB ASN A 83 -3.816 -1.072 14.423 1.00 0.00 C ATOM 494 CG ASN A 83 -4.096 -2.136 15.476 1.00 0.00 C ATOM 495 OD1 ASN A 83 -4.470 -3.314 15.079 1.00 0.00 O flip ATOM 496 ND2 ASN A 83 -3.940 -1.880 16.667 1.00 0.00 N flip ATOM 0 H ASN A 83 -2.737 0.358 12.796 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.621 -2.400 13.248 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.060 -0.389 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.723 -0.488 14.268 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.645 -0.946 16.954 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.105 -2.601 17.369 1.00 0.00 H new ATOM 503 N MET A 84 -5.353 -1.249 11.778 1.00 0.00 N ATOM 504 CA MET A 84 -6.529 -1.673 11.006 1.00 0.00 C ATOM 505 C MET A 84 -6.093 -2.250 9.695 1.00 0.00 C ATOM 506 O MET A 84 -6.731 -3.159 9.161 1.00 0.00 O ATOM 507 CB MET A 84 -7.501 -0.528 10.736 1.00 0.00 C ATOM 508 CG MET A 84 -8.026 0.137 11.978 1.00 0.00 C ATOM 509 SD MET A 84 -8.968 -0.975 13.053 1.00 0.00 S ATOM 510 CE MET A 84 -10.350 -1.413 11.989 1.00 0.00 C ATOM 0 H MET A 84 -5.236 -0.239 11.857 1.00 0.00 H new ATOM 0 HA MET A 84 -7.048 -2.419 11.608 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.002 0.220 10.119 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.343 -0.909 10.157 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.189 0.550 12.541 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.661 0.975 11.691 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.140 -1.867 12.587 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.733 -0.516 11.503 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.016 -2.122 11.231 1.00 0.00 H new ATOM 520 N PHE A 85 -5.018 -1.704 9.159 1.00 0.00 N ATOM 521 CA PHE A 85 -4.449 -2.195 7.919 1.00 0.00 C ATOM 522 C PHE A 85 -4.044 -3.653 8.046 1.00 0.00 C ATOM 523 O PHE A 85 -4.566 -4.493 7.343 1.00 0.00 O ATOM 524 CB PHE A 85 -3.251 -1.328 7.483 1.00 0.00 C ATOM 525 CG PHE A 85 -2.487 -1.874 6.305 1.00 0.00 C ATOM 526 CD1 PHE A 85 -3.027 -1.849 5.029 1.00 0.00 C ATOM 527 CD2 PHE A 85 -1.223 -2.408 6.483 1.00 0.00 C ATOM 528 CE1 PHE A 85 -2.317 -2.350 3.952 1.00 0.00 C ATOM 529 CE2 PHE A 85 -0.510 -2.911 5.414 1.00 0.00 C ATOM 530 CZ PHE A 85 -1.057 -2.881 4.146 1.00 0.00 C ATOM 0 H PHE A 85 -4.518 -0.914 9.567 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.215 -2.125 7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.611 -0.329 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.568 -1.222 8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.012 -1.434 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.789 -2.431 7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.747 -2.326 2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.474 -3.328 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.500 -3.272 3.307 1.00 0.00 H new ATOM 540 N THR A 86 -3.222 -3.953 9.009 1.00 0.00 N ATOM 541 CA THR A 86 -2.736 -5.310 9.176 1.00 0.00 C ATOM 542 C THR A 86 -3.828 -6.225 9.750 1.00 0.00 C ATOM 543 O THR A 86 -3.846 -7.428 9.484 1.00 0.00 O ATOM 544 CB THR A 86 -1.398 -5.383 9.989 1.00 0.00 C ATOM 545 OG1 THR A 86 -0.939 -6.741 10.129 1.00 0.00 O ATOM 546 CG2 THR A 86 -1.539 -4.744 11.356 1.00 0.00 C ATOM 0 H THR A 86 -2.869 -3.285 9.694 1.00 0.00 H new ATOM 0 HA THR A 86 -2.490 -5.684 8.182 1.00 0.00 H new ATOM 0 HB THR A 86 -0.656 -4.822 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.102 -6.753 10.639 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.591 -4.814 11.890 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.814 -3.696 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.313 -5.262 11.922 1.00 0.00 H new ATOM 554 N PHE A 87 -4.758 -5.638 10.488 1.00 0.00 N ATOM 555 CA PHE A 87 -5.876 -6.380 11.036 1.00 0.00 C ATOM 556 C PHE A 87 -6.786 -6.868 9.939 1.00 0.00 C ATOM 557 O PHE A 87 -7.067 -8.058 9.852 1.00 0.00 O ATOM 558 CB PHE A 87 -6.661 -5.548 12.063 1.00 0.00 C ATOM 559 CG PHE A 87 -7.996 -6.134 12.448 1.00 0.00 C ATOM 560 CD1 PHE A 87 -8.085 -7.396 13.023 1.00 0.00 C ATOM 561 CD2 PHE A 87 -9.161 -5.425 12.220 1.00 0.00 C ATOM 562 CE1 PHE A 87 -9.311 -7.931 13.365 1.00 0.00 C ATOM 563 CE2 PHE A 87 -10.391 -5.953 12.561 1.00 0.00 C ATOM 564 CZ PHE A 87 -10.467 -7.208 13.136 1.00 0.00 C ATOM 0 H PHE A 87 -4.757 -4.645 10.720 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.468 -7.246 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.054 -5.435 12.962 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.820 -4.548 11.658 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.185 -7.965 13.204 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.109 -4.445 11.769 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.367 -8.913 13.811 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -11.292 -5.386 12.379 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.427 -7.623 13.406 1.00 0.00 H new ATOM 574 N HIS A 88 -7.219 -5.960 9.068 1.00 0.00 N ATOM 575 CA HIS A 88 -8.124 -6.342 8.011 1.00 0.00 C ATOM 576 C HIS A 88 -7.414 -7.290 7.049 1.00 0.00 C ATOM 577 O HIS A 88 -8.035 -8.129 6.433 1.00 0.00 O ATOM 578 CB HIS A 88 -8.779 -5.125 7.299 1.00 0.00 C ATOM 579 CG HIS A 88 -8.022 -4.521 6.151 1.00 0.00 C ATOM 580 ND1 HIS A 88 -7.204 -3.426 6.254 1.00 0.00 N ATOM 581 CD2 HIS A 88 -8.006 -4.890 4.850 1.00 0.00 C ATOM 582 CE1 HIS A 88 -6.719 -3.153 5.050 1.00 0.00 C ATOM 583 NE2 HIS A 88 -7.180 -4.037 4.133 1.00 0.00 N ATOM 0 H HIS A 88 -6.958 -4.974 9.079 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.964 -6.875 8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.759 -5.432 6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.945 -4.346 8.043 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.553 -5.722 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.047 -2.336 4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.967 -4.068 3.136 1.00 0.00 H new ATOM 591 N VAL A 89 -6.099 -7.142 6.943 1.00 0.00 N ATOM 592 CA VAL A 89 -5.305 -8.036 6.138 1.00 0.00 C ATOM 593 C VAL A 89 -5.396 -9.428 6.707 1.00 0.00 C ATOM 594 O VAL A 89 -5.887 -10.294 6.061 1.00 0.00 O ATOM 595 CB VAL A 89 -3.820 -7.587 6.019 1.00 0.00 C ATOM 596 CG1 VAL A 89 -2.955 -8.685 5.409 1.00 0.00 C ATOM 597 CG2 VAL A 89 -3.701 -6.339 5.166 1.00 0.00 C ATOM 0 H VAL A 89 -5.567 -6.407 7.409 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.709 -8.018 5.126 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.468 -7.376 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.924 -8.339 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.998 -9.574 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.324 -8.927 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.654 -6.044 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.087 -6.543 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.276 -5.532 5.620 1.00 0.00 H new ATOM 607 N ASP A 90 -5.027 -9.591 7.960 1.00 0.00 N ATOM 608 CA ASP A 90 -5.030 -10.916 8.620 1.00 0.00 C ATOM 609 C ASP A 90 -6.449 -11.507 8.641 1.00 0.00 C ATOM 610 O ASP A 90 -6.645 -12.714 8.579 1.00 0.00 O ATOM 611 CB ASP A 90 -4.488 -10.787 10.056 1.00 0.00 C ATOM 612 CG ASP A 90 -4.296 -12.121 10.764 1.00 0.00 C ATOM 613 OD1 ASP A 90 -5.250 -12.643 11.356 1.00 0.00 O ATOM 614 OD2 ASP A 90 -3.153 -12.647 10.770 1.00 0.00 O ATOM 0 H ASP A 90 -4.716 -8.828 8.561 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.386 -11.589 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.534 -10.261 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.174 -10.173 10.639 1.00 0.00 H new ATOM 619 N SER A 91 -7.411 -10.634 8.662 1.00 0.00 N ATOM 620 CA SER A 91 -8.796 -11.002 8.717 1.00 0.00 C ATOM 621 C SER A 91 -9.319 -11.435 7.340 1.00 0.00 C ATOM 622 O SER A 91 -9.984 -12.466 7.219 1.00 0.00 O ATOM 623 CB SER A 91 -9.614 -9.813 9.259 1.00 0.00 C ATOM 624 OG SER A 91 -11.005 -10.103 9.360 1.00 0.00 O ATOM 0 H SER A 91 -7.253 -9.626 8.641 1.00 0.00 H new ATOM 0 HA SER A 91 -8.904 -11.856 9.385 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.233 -9.533 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.473 -8.952 8.605 1.00 0.00 H new ATOM 0 HG SER A 91 -11.478 -9.319 9.709 1.00 0.00 H new ATOM 630 N GLU A 92 -9.015 -10.676 6.309 1.00 0.00 N ATOM 631 CA GLU A 92 -9.619 -10.941 4.994 1.00 0.00 C ATOM 632 C GLU A 92 -8.665 -11.632 4.023 1.00 0.00 C ATOM 633 O GLU A 92 -9.069 -12.498 3.237 1.00 0.00 O ATOM 634 CB GLU A 92 -10.120 -9.643 4.368 1.00 0.00 C ATOM 635 CG GLU A 92 -11.067 -8.851 5.237 1.00 0.00 C ATOM 636 CD GLU A 92 -11.498 -7.565 4.579 1.00 0.00 C ATOM 637 OE1 GLU A 92 -10.722 -6.598 4.575 1.00 0.00 O ATOM 638 OE2 GLU A 92 -12.630 -7.496 4.049 1.00 0.00 O ATOM 0 H GLU A 92 -8.371 -9.886 6.339 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.451 -11.622 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.261 -9.017 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.620 -9.877 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.946 -9.456 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.584 -8.627 6.188 1.00 0.00 H new ATOM 645 N HIS A 93 -7.423 -11.255 4.076 1.00 0.00 N ATOM 646 CA HIS A 93 -6.414 -11.736 3.174 1.00 0.00 C ATOM 647 C HIS A 93 -5.103 -12.032 3.906 1.00 0.00 C ATOM 648 O HIS A 93 -4.091 -11.385 3.646 1.00 0.00 O ATOM 649 CB HIS A 93 -6.204 -10.727 2.006 1.00 0.00 C ATOM 650 CG HIS A 93 -6.577 -9.259 2.294 1.00 0.00 C ATOM 651 ND1 HIS A 93 -7.858 -8.781 2.167 1.00 0.00 N ATOM 652 CD2 HIS A 93 -5.822 -8.186 2.697 1.00 0.00 C ATOM 653 CE1 HIS A 93 -7.876 -7.498 2.480 1.00 0.00 C ATOM 654 NE2 HIS A 93 -6.652 -7.041 2.815 1.00 0.00 N ATOM 0 H HIS A 93 -7.072 -10.588 4.764 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.759 -12.678 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.156 -10.761 1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.789 -11.067 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.760 -8.209 2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -8.766 -6.887 2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -6.386 -6.095 3.089 1.00 0.00 H new ATOM 755 N SER A 100 3.908 -10.221 -8.081 1.00 0.00 N ATOM 756 CA SER A 100 4.817 -9.152 -7.749 1.00 0.00 C ATOM 757 C SER A 100 4.022 -7.884 -7.455 1.00 0.00 C ATOM 758 O SER A 100 2.876 -7.755 -7.904 1.00 0.00 O ATOM 759 CB SER A 100 5.799 -8.916 -8.913 1.00 0.00 C ATOM 760 OG SER A 100 6.543 -10.102 -9.199 1.00 0.00 O ATOM 0 HA SER A 100 5.392 -9.424 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.249 -8.604 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.482 -8.105 -8.660 1.00 0.00 H new ATOM 0 HG SER A 100 6.025 -10.887 -8.924 1.00 0.00 H new ATOM 766 N SER A 101 4.616 -6.993 -6.679 1.00 0.00 N ATOM 767 CA SER A 101 4.027 -5.738 -6.299 1.00 0.00 C ATOM 768 C SER A 101 5.078 -4.953 -5.548 1.00 0.00 C ATOM 769 O SER A 101 6.187 -5.474 -5.322 1.00 0.00 O ATOM 770 CB SER A 101 2.790 -5.947 -5.422 1.00 0.00 C ATOM 771 OG SER A 101 2.109 -4.724 -5.212 1.00 0.00 O ATOM 0 H SER A 101 5.548 -7.135 -6.289 1.00 0.00 H new ATOM 0 HA SER A 101 3.700 -5.197 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.120 -6.665 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.086 -6.372 -4.463 1.00 0.00 H new ATOM 0 HG SER A 101 1.795 -4.679 -4.285 1.00 0.00 H new ATOM 777 N TYR A 102 4.755 -3.733 -5.186 1.00 0.00 N ATOM 778 CA TYR A 102 5.648 -2.862 -4.468 1.00 0.00 C ATOM 779 C TYR A 102 5.109 -2.585 -3.091 1.00 0.00 C ATOM 780 O TYR A 102 3.884 -2.470 -2.893 1.00 0.00 O ATOM 781 CB TYR A 102 5.830 -1.537 -5.184 1.00 0.00 C ATOM 782 CG TYR A 102 6.789 -1.491 -6.352 1.00 0.00 C ATOM 783 CD1 TYR A 102 7.083 -2.611 -7.113 1.00 0.00 C ATOM 784 CD2 TYR A 102 7.397 -0.288 -6.692 1.00 0.00 C ATOM 785 CE1 TYR A 102 7.953 -2.541 -8.177 1.00 0.00 C ATOM 786 CE2 TYR A 102 8.267 -0.207 -7.767 1.00 0.00 C ATOM 787 CZ TYR A 102 8.539 -1.339 -8.504 1.00 0.00 C ATOM 788 OH TYR A 102 9.393 -1.270 -9.590 1.00 0.00 O ATOM 0 H TYR A 102 3.847 -3.313 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 102 6.611 -3.369 -4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 102 4.852 -1.212 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.161 -0.803 -4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.621 -3.556 -6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 102 7.188 0.597 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.175 -3.427 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 102 8.728 0.735 -8.025 1.00 0.00 H new ATOM 0 HH TYR A 102 9.723 -0.353 -9.689 1.00 0.00 H new ATOM 798 N VAL A 103 6.003 -2.490 -2.154 1.00 0.00 N ATOM 799 CA VAL A 103 5.668 -2.207 -0.789 1.00 0.00 C ATOM 800 C VAL A 103 6.600 -1.123 -0.252 1.00 0.00 C ATOM 801 O VAL A 103 7.776 -1.082 -0.586 1.00 0.00 O ATOM 802 CB VAL A 103 5.793 -3.511 0.075 1.00 0.00 C ATOM 803 CG1 VAL A 103 7.168 -4.028 0.052 1.00 0.00 C ATOM 804 CG2 VAL A 103 5.386 -3.328 1.507 1.00 0.00 C ATOM 0 H VAL A 103 7.003 -2.609 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 103 4.639 -1.852 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 103 5.103 -4.220 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.227 -4.932 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 103 7.452 -4.260 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.846 -3.276 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.499 -4.272 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.018 -2.570 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.345 -3.009 1.551 1.00 0.00 H new ATOM 814 N CYS A 104 6.075 -0.232 0.528 1.00 0.00 N ATOM 815 CA CYS A 104 6.901 0.732 1.200 1.00 0.00 C ATOM 816 C CYS A 104 7.421 0.028 2.395 1.00 0.00 C ATOM 817 O CYS A 104 6.676 -0.219 3.291 1.00 0.00 O ATOM 818 CB CYS A 104 6.058 1.963 1.608 1.00 0.00 C ATOM 819 SG CYS A 104 6.867 3.264 2.710 1.00 0.00 S ATOM 0 H CYS A 104 5.076 -0.148 0.718 1.00 0.00 H new ATOM 0 HA CYS A 104 7.709 1.100 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 104 5.726 2.458 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.165 1.602 2.118 1.00 0.00 H new ATOM 0 HG CYS A 104 6.285 3.271 3.872 1.00 0.00 H new ATOM 824 N VAL A 105 8.667 -0.377 2.359 1.00 0.00 N ATOM 825 CA VAL A 105 9.317 -1.106 3.460 1.00 0.00 C ATOM 826 C VAL A 105 9.214 -0.331 4.744 1.00 0.00 C ATOM 827 O VAL A 105 9.096 -0.899 5.824 1.00 0.00 O ATOM 828 CB VAL A 105 10.809 -1.300 3.193 1.00 0.00 C ATOM 829 CG1 VAL A 105 11.223 -2.668 3.487 1.00 0.00 C ATOM 830 CG2 VAL A 105 11.178 -0.937 1.805 1.00 0.00 C ATOM 0 H VAL A 105 9.280 -0.215 1.560 1.00 0.00 H new ATOM 0 HA VAL A 105 8.810 -2.068 3.535 1.00 0.00 H new ATOM 0 HB VAL A 105 11.339 -0.624 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 105 12.289 -2.776 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 105 11.025 -2.891 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.664 -3.361 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 105 12.247 -1.091 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 105 10.624 -1.563 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.935 0.110 1.626 1.00 0.00 H new ATOM 840 N GLU A 106 9.229 0.964 4.596 1.00 0.00 N ATOM 841 CA GLU A 106 9.184 1.886 5.695 1.00 0.00 C ATOM 842 C GLU A 106 7.877 1.711 6.454 1.00 0.00 C ATOM 843 O GLU A 106 7.842 1.665 7.681 1.00 0.00 O ATOM 844 CB GLU A 106 9.255 3.317 5.158 1.00 0.00 C ATOM 845 CG GLU A 106 10.348 3.562 4.121 1.00 0.00 C ATOM 846 CD GLU A 106 11.747 3.475 4.672 1.00 0.00 C ATOM 847 OE1 GLU A 106 11.994 2.710 5.645 1.00 0.00 O ATOM 848 OE2 GLU A 106 12.627 4.134 4.106 1.00 0.00 O ATOM 0 H GLU A 106 9.274 1.419 3.684 1.00 0.00 H new ATOM 0 HA GLU A 106 10.026 1.694 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.292 3.572 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.411 3.996 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.240 2.835 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.203 4.549 3.681 1.00 0.00 H new ATOM 855 N CYS A 107 6.813 1.579 5.709 1.00 0.00 N ATOM 856 CA CYS A 107 5.478 1.475 6.303 1.00 0.00 C ATOM 857 C CYS A 107 5.019 0.028 6.361 1.00 0.00 C ATOM 858 O CYS A 107 4.102 -0.311 7.098 1.00 0.00 O ATOM 859 CB CYS A 107 4.504 2.254 5.440 1.00 0.00 C ATOM 860 SG CYS A 107 5.070 3.949 5.035 1.00 0.00 S ATOM 0 H CYS A 107 6.829 1.539 4.690 1.00 0.00 H new ATOM 0 HA CYS A 107 5.514 1.873 7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.335 1.706 4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.545 2.314 5.954 1.00 0.00 H new ATOM 0 HG CYS A 107 5.153 4.082 3.744 1.00 0.00 H new ATOM 865 N ASN A 108 5.703 -0.804 5.595 1.00 0.00 N ATOM 866 CA ASN A 108 5.320 -2.182 5.349 1.00 0.00 C ATOM 867 C ASN A 108 3.909 -2.276 4.792 1.00 0.00 C ATOM 868 O ASN A 108 3.050 -2.968 5.337 1.00 0.00 O ATOM 869 CB ASN A 108 5.511 -3.041 6.577 1.00 0.00 C ATOM 870 CG ASN A 108 6.937 -3.436 6.828 1.00 0.00 C ATOM 871 OD1 ASN A 108 7.689 -3.643 5.785 1.00 0.00 O flip ATOM 872 ND2 ASN A 108 7.356 -3.586 7.970 1.00 0.00 N flip ATOM 0 H ASN A 108 6.561 -0.533 5.115 1.00 0.00 H new ATOM 0 HA ASN A 108 5.988 -2.578 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 108 5.135 -2.502 7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 108 4.907 -3.943 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 108 6.741 -3.415 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.320 -3.881 8.125 1.00 0.00 H new ATOM 879 N PHE A 109 3.689 -1.623 3.659 1.00 0.00 N ATOM 880 CA PHE A 109 2.366 -1.600 3.069 1.00 0.00 C ATOM 881 C PHE A 109 2.464 -1.903 1.586 1.00 0.00 C ATOM 882 O PHE A 109 3.232 -1.250 0.855 1.00 0.00 O ATOM 883 CB PHE A 109 1.621 -0.253 3.350 1.00 0.00 C ATOM 884 CG PHE A 109 1.529 0.743 2.198 1.00 0.00 C ATOM 885 CD1 PHE A 109 0.454 0.699 1.330 1.00 0.00 C ATOM 886 CD2 PHE A 109 2.493 1.711 1.998 1.00 0.00 C ATOM 887 CE1 PHE A 109 0.344 1.605 0.287 1.00 0.00 C ATOM 888 CE2 PHE A 109 2.383 2.622 0.944 1.00 0.00 C ATOM 889 CZ PHE A 109 1.307 2.566 0.097 1.00 0.00 C ATOM 0 H PHE A 109 4.401 -1.110 3.139 1.00 0.00 H new ATOM 0 HA PHE A 109 1.762 -2.376 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.608 -0.488 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.118 0.241 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.310 -0.052 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.342 1.765 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.504 1.555 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.147 3.371 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.217 3.273 -0.715 1.00 0.00 H new ATOM 899 N LEU A 110 1.746 -2.906 1.167 1.00 0.00 N ATOM 900 CA LEU A 110 1.723 -3.331 -0.216 1.00 0.00 C ATOM 901 C LEU A 110 0.561 -2.699 -0.861 1.00 0.00 C ATOM 902 O LEU A 110 -0.531 -2.791 -0.333 1.00 0.00 O ATOM 903 CB LEU A 110 1.575 -4.843 -0.339 1.00 0.00 C ATOM 904 CG LEU A 110 2.846 -5.649 -0.444 1.00 0.00 C ATOM 905 CD1 LEU A 110 2.515 -7.098 -0.236 1.00 0.00 C ATOM 906 CD2 LEU A 110 3.427 -5.470 -1.839 1.00 0.00 C ATOM 0 H LEU A 110 1.150 -3.463 1.779 1.00 0.00 H new ATOM 0 HA LEU A 110 2.662 -3.041 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.018 -5.200 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.967 -5.053 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 110 3.566 -5.318 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.425 -7.693 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.072 -7.232 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.807 -7.423 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.347 -6.048 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.707 -5.818 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.644 -4.416 -2.010 1.00 0.00 H new ATOM 918 N THR A 111 0.764 -2.120 -1.995 1.00 0.00 N ATOM 919 CA THR A 111 -0.284 -1.371 -2.644 1.00 0.00 C ATOM 920 C THR A 111 -0.671 -1.949 -3.971 1.00 0.00 C ATOM 921 O THR A 111 0.096 -2.678 -4.589 1.00 0.00 O ATOM 922 CB THR A 111 0.068 0.139 -2.747 1.00 0.00 C ATOM 923 OG1 THR A 111 -0.763 0.860 -3.695 1.00 0.00 O ATOM 924 CG2 THR A 111 1.534 0.343 -3.043 1.00 0.00 C ATOM 0 H THR A 111 1.648 -2.145 -2.503 1.00 0.00 H new ATOM 0 HA THR A 111 -1.165 -1.456 -2.008 1.00 0.00 H new ATOM 0 HB THR A 111 -0.148 0.565 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.679 0.916 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.747 1.410 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.131 -0.098 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.784 -0.136 -3.990 1.00 0.00 H new ATOM 932 N LYS A 112 -1.896 -1.635 -4.366 1.00 0.00 N ATOM 933 CA LYS A 112 -2.535 -2.049 -5.601 1.00 0.00 C ATOM 934 C LYS A 112 -1.753 -1.567 -6.824 1.00 0.00 C ATOM 935 O LYS A 112 -1.868 -2.130 -7.929 1.00 0.00 O ATOM 936 CB LYS A 112 -3.942 -1.429 -5.610 1.00 0.00 C ATOM 937 CG LYS A 112 -4.824 -1.816 -6.778 1.00 0.00 C ATOM 938 CD LYS A 112 -6.172 -1.120 -6.696 1.00 0.00 C ATOM 939 CE LYS A 112 -7.114 -1.594 -7.789 1.00 0.00 C ATOM 940 NZ LYS A 112 -7.449 -3.029 -7.661 1.00 0.00 N ATOM 0 H LYS A 112 -2.505 -1.048 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.575 -3.137 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.449 -1.711 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.841 -0.344 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.331 -1.552 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.968 -2.896 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.621 -1.309 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.031 -0.042 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.031 -1.005 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.656 -1.416 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.273 -3.247 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.638 -3.603 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.671 -3.246 -6.669 1.00 0.00 H new ATOM 954 N ARG A 113 -0.937 -0.575 -6.614 1.00 0.00 N ATOM 955 CA ARG A 113 -0.269 0.099 -7.678 1.00 0.00 C ATOM 956 C ARG A 113 1.206 0.333 -7.332 1.00 0.00 C ATOM 957 O ARG A 113 1.646 0.039 -6.233 1.00 0.00 O ATOM 958 CB ARG A 113 -0.996 1.410 -7.874 1.00 0.00 C ATOM 959 CG ARG A 113 -0.923 2.309 -6.655 1.00 0.00 C ATOM 960 CD ARG A 113 -2.007 3.344 -6.662 1.00 0.00 C ATOM 961 NE ARG A 113 -3.310 2.759 -6.375 1.00 0.00 N ATOM 962 CZ ARG A 113 -4.362 2.806 -7.177 1.00 0.00 C ATOM 963 NH1 ARG A 113 -4.229 3.203 -8.440 1.00 0.00 N ATOM 964 NH2 ARG A 113 -5.538 2.438 -6.724 1.00 0.00 N ATOM 0 H ARG A 113 -0.717 -0.211 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.283 -0.495 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.570 1.932 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.041 1.209 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.004 1.704 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.049 2.801 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.782 4.112 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.035 3.836 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.421 2.274 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.312 3.473 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.044 3.237 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.636 2.119 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.353 2.471 -7.336 1.00 0.00 H new ATOM 978 N TYR A 114 1.949 0.867 -8.268 1.00 0.00 N ATOM 979 CA TYR A 114 3.378 1.134 -8.071 1.00 0.00 C ATOM 980 C TYR A 114 3.625 2.628 -7.826 1.00 0.00 C ATOM 981 O TYR A 114 4.640 3.031 -7.243 1.00 0.00 O ATOM 982 CB TYR A 114 4.190 0.633 -9.285 1.00 0.00 C ATOM 983 CG TYR A 114 3.743 1.225 -10.608 1.00 0.00 C ATOM 984 CD1 TYR A 114 2.637 0.716 -11.276 1.00 0.00 C ATOM 985 CD2 TYR A 114 4.410 2.304 -11.173 1.00 0.00 C ATOM 986 CE1 TYR A 114 2.209 1.258 -12.460 1.00 0.00 C ATOM 987 CE2 TYR A 114 3.983 2.856 -12.359 1.00 0.00 C ATOM 988 CZ TYR A 114 2.880 2.326 -12.998 1.00 0.00 C ATOM 989 OH TYR A 114 2.438 2.882 -14.172 1.00 0.00 O ATOM 0 H TYR A 114 1.597 1.133 -9.188 1.00 0.00 H new ATOM 0 HA TYR A 114 3.712 0.591 -7.187 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.242 0.870 -9.129 1.00 0.00 H new ATOM 0 HB3 TYR A 114 4.112 -0.453 -9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.104 -0.123 -10.854 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.275 2.715 -10.675 1.00 0.00 H new ATOM 0 HE1 TYR A 114 1.348 0.846 -12.966 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.507 3.698 -12.787 1.00 0.00 H new ATOM 0 HH TYR A 114 3.021 3.630 -14.419 1.00 0.00 H new ATOM 999 N ASP A 115 2.675 3.428 -8.238 1.00 0.00 N ATOM 1000 CA ASP A 115 2.742 4.884 -8.122 1.00 0.00 C ATOM 1001 C ASP A 115 2.518 5.356 -6.709 1.00 0.00 C ATOM 1002 O ASP A 115 3.017 6.386 -6.322 1.00 0.00 O ATOM 1003 CB ASP A 115 1.743 5.535 -9.060 1.00 0.00 C ATOM 1004 CG ASP A 115 0.366 4.956 -8.913 1.00 0.00 C ATOM 1005 OD1 ASP A 115 0.136 3.843 -9.431 1.00 0.00 O ATOM 1006 OD2 ASP A 115 -0.480 5.559 -8.253 1.00 0.00 O ATOM 0 H ASP A 115 1.815 3.093 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 115 3.751 5.184 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.708 6.607 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.079 5.411 -10.089 1.00 0.00 H new ATOM 1011 N ALA A 116 1.825 4.565 -5.928 1.00 0.00 N ATOM 1012 CA ALA A 116 1.541 4.879 -4.519 1.00 0.00 C ATOM 1013 C ALA A 116 2.828 5.001 -3.726 1.00 0.00 C ATOM 1014 O ALA A 116 2.885 5.685 -2.720 1.00 0.00 O ATOM 1015 CB ALA A 116 0.675 3.802 -3.916 1.00 0.00 C ATOM 0 H ALA A 116 1.433 3.676 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 116 1.015 5.833 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.469 4.042 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.264 3.740 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 116 1.193 2.845 -3.973 1.00 0.00 H new ATOM 1021 N LEU A 117 3.847 4.325 -4.203 1.00 0.00 N ATOM 1022 CA LEU A 117 5.167 4.351 -3.598 1.00 0.00 C ATOM 1023 C LEU A 117 5.928 5.561 -4.063 1.00 0.00 C ATOM 1024 O LEU A 117 6.756 6.091 -3.356 1.00 0.00 O ATOM 1025 CB LEU A 117 5.969 3.119 -3.972 1.00 0.00 C ATOM 1026 CG LEU A 117 5.385 1.762 -3.610 1.00 0.00 C ATOM 1027 CD1 LEU A 117 4.855 1.745 -2.191 1.00 0.00 C ATOM 1028 CD2 LEU A 117 4.335 1.343 -4.597 1.00 0.00 C ATOM 0 H LEU A 117 3.787 3.733 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 117 5.027 4.379 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.131 3.138 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.948 3.200 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 117 6.193 1.032 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.445 0.760 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.666 1.967 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.072 2.496 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.936 0.369 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.529 2.077 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.776 1.278 -5.592 1.00 0.00 H new ATOM 1040 N SER A 118 5.626 5.978 -5.244 1.00 0.00 N ATOM 1041 CA SER A 118 6.260 7.111 -5.869 1.00 0.00 C ATOM 1042 C SER A 118 5.733 8.400 -5.282 1.00 0.00 C ATOM 1043 O SER A 118 6.461 9.318 -5.024 1.00 0.00 O ATOM 1044 CB SER A 118 5.931 7.075 -7.334 1.00 0.00 C ATOM 1045 OG SER A 118 6.626 6.051 -8.022 1.00 0.00 O ATOM 0 H SER A 118 4.914 5.536 -5.825 1.00 0.00 H new ATOM 0 HA SER A 118 7.337 7.065 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 118 4.858 6.928 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 118 6.175 8.039 -7.781 1.00 0.00 H new ATOM 0 HG SER A 118 6.378 6.067 -8.970 1.00 0.00 H new ATOM 1051 N GLU A 119 4.454 8.470 -5.134 1.00 0.00 N ATOM 1052 CA GLU A 119 3.833 9.626 -4.543 1.00 0.00 C ATOM 1053 C GLU A 119 4.009 9.600 -3.032 1.00 0.00 C ATOM 1054 O GLU A 119 3.799 10.583 -2.356 1.00 0.00 O ATOM 1055 CB GLU A 119 2.373 9.752 -4.920 1.00 0.00 C ATOM 1056 CG GLU A 119 2.066 9.239 -6.310 1.00 0.00 C ATOM 1057 CD GLU A 119 0.790 9.817 -6.882 1.00 0.00 C ATOM 1058 OE1 GLU A 119 0.754 11.029 -7.180 1.00 0.00 O ATOM 1059 OE2 GLU A 119 -0.183 9.086 -7.071 1.00 0.00 O ATOM 0 H GLU A 119 3.804 7.736 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 119 4.333 10.508 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.770 9.203 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.077 10.799 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.897 9.480 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.986 8.152 -6.281 1.00 0.00 H new ATOM 1066 N HIS A 120 4.304 8.432 -2.522 1.00 0.00 N ATOM 1067 CA HIS A 120 4.487 8.193 -1.096 1.00 0.00 C ATOM 1068 C HIS A 120 5.439 9.219 -0.455 1.00 0.00 C ATOM 1069 O HIS A 120 5.062 9.887 0.414 1.00 0.00 O ATOM 1070 CB HIS A 120 5.003 6.800 -0.896 1.00 0.00 C ATOM 1071 CG HIS A 120 4.740 6.212 0.414 1.00 0.00 C ATOM 1072 ND1 HIS A 120 3.485 5.903 0.877 1.00 0.00 N ATOM 1073 CD2 HIS A 120 5.583 5.867 1.359 1.00 0.00 C ATOM 1074 CE1 HIS A 120 3.604 5.389 2.092 1.00 0.00 C ATOM 1075 NE2 HIS A 120 4.881 5.338 2.448 1.00 0.00 N ATOM 0 H HIS A 120 4.429 7.595 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 120 3.522 8.307 -0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 120 4.564 6.156 -1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 120 6.080 6.803 -1.063 1.00 0.00 H new ATOM 0 HD1 HIS A 120 2.610 6.045 0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 120 6.656 5.975 1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 120 2.779 5.058 2.705 1.00 0.00 H new ATOM 1083 N ASN A 121 6.629 9.352 -0.931 1.00 0.00 N ATOM 1084 CA ASN A 121 7.605 10.356 -0.413 1.00 0.00 C ATOM 1085 C ASN A 121 7.192 11.774 -0.778 1.00 0.00 C ATOM 1086 O ASN A 121 7.710 12.745 -0.266 1.00 0.00 O ATOM 1087 CB ASN A 121 9.033 10.036 -0.851 1.00 0.00 C ATOM 1088 CG ASN A 121 9.210 9.945 -2.338 1.00 0.00 C ATOM 1089 OD1 ASN A 121 8.282 9.695 -3.062 1.00 0.00 O ATOM 1090 ND2 ASN A 121 10.408 10.020 -2.768 1.00 0.00 N ATOM 0 H ASN A 121 6.992 8.783 -1.695 1.00 0.00 H new ATOM 0 HA ASN A 121 7.593 10.294 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 121 9.702 10.804 -0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.337 9.091 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 121 10.606 9.866 -3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.169 10.234 -2.123 1.00 0.00 H new ATOM 1097 N LEU A 122 6.314 11.885 -1.709 1.00 0.00 N ATOM 1098 CA LEU A 122 5.793 13.153 -2.110 1.00 0.00 C ATOM 1099 C LEU A 122 4.829 13.670 -1.027 1.00 0.00 C ATOM 1100 O LEU A 122 4.988 14.774 -0.510 1.00 0.00 O ATOM 1101 CB LEU A 122 5.117 13.001 -3.507 1.00 0.00 C ATOM 1102 CG LEU A 122 3.993 13.970 -3.898 1.00 0.00 C ATOM 1103 CD1 LEU A 122 4.446 15.424 -3.842 1.00 0.00 C ATOM 1104 CD2 LEU A 122 3.487 13.642 -5.294 1.00 0.00 C ATOM 0 H LEU A 122 5.929 11.092 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 122 6.586 13.894 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.899 13.082 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 122 4.716 11.989 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 122 3.188 13.846 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.619 16.074 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.766 15.667 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.278 15.573 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.689 14.334 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 122 4.305 13.734 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 122 3.103 12.622 -5.312 1.00 0.00 H new ATOM 1116 N LYS A 123 3.858 12.858 -0.685 1.00 0.00 N ATOM 1117 CA LYS A 123 2.817 13.250 0.262 1.00 0.00 C ATOM 1118 C LYS A 123 2.909 12.587 1.637 1.00 0.00 C ATOM 1119 O LYS A 123 2.656 13.207 2.659 1.00 0.00 O ATOM 1120 CB LYS A 123 1.432 13.107 -0.377 1.00 0.00 C ATOM 1121 CG LYS A 123 1.356 12.098 -1.516 1.00 0.00 C ATOM 1122 CD LYS A 123 0.074 12.235 -2.321 1.00 0.00 C ATOM 1123 CE LYS A 123 -1.178 12.117 -1.467 1.00 0.00 C ATOM 1124 NZ LYS A 123 -2.408 12.370 -2.260 1.00 0.00 N ATOM 0 H LYS A 123 3.758 11.910 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 123 2.991 14.303 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.719 12.817 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.118 14.081 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.213 12.232 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.422 11.089 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.071 13.200 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 123 0.053 11.467 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.227 11.121 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.124 12.827 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.242 12.281 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.373 13.330 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.472 11.676 -3.032 1.00 0.00 H new ATOM 1138 N TYR A 124 3.245 11.338 1.638 1.00 0.00 N ATOM 1139 CA TYR A 124 3.316 10.523 2.858 1.00 0.00 C ATOM 1140 C TYR A 124 4.643 10.735 3.585 1.00 0.00 C ATOM 1141 O TYR A 124 4.659 11.010 4.782 1.00 0.00 O ATOM 1142 CB TYR A 124 3.156 9.036 2.522 1.00 0.00 C ATOM 1143 CG TYR A 124 1.817 8.618 1.945 1.00 0.00 C ATOM 1144 CD1 TYR A 124 1.277 9.250 0.838 1.00 0.00 C ATOM 1145 CD2 TYR A 124 1.103 7.574 2.505 1.00 0.00 C ATOM 1146 CE1 TYR A 124 0.085 8.865 0.315 1.00 0.00 C ATOM 1147 CE2 TYR A 124 -0.097 7.177 1.980 1.00 0.00 C ATOM 1148 CZ TYR A 124 -0.603 7.825 0.892 1.00 0.00 C ATOM 1149 OH TYR A 124 -1.797 7.432 0.380 1.00 0.00 O ATOM 0 H TYR A 124 3.486 10.826 0.790 1.00 0.00 H new ATOM 0 HA TYR A 124 2.502 10.838 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 124 3.936 8.760 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.333 8.459 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 124 1.816 10.067 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 124 1.499 7.064 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.320 9.372 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -0.640 6.356 2.425 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.357 7.069 1.098 1.00 0.00 H new ATOM 1159 N HIS A 125 5.762 10.575 2.869 1.00 0.00 N ATOM 1160 CA HIS A 125 7.100 10.820 3.469 1.00 0.00 C ATOM 1161 C HIS A 125 7.794 12.023 2.788 1.00 0.00 C ATOM 1162 O HIS A 125 8.754 11.833 2.075 1.00 0.00 O ATOM 1163 CB HIS A 125 8.039 9.586 3.335 1.00 0.00 C ATOM 1164 CG HIS A 125 7.637 8.305 4.018 1.00 0.00 C ATOM 1165 ND1 HIS A 125 8.326 7.736 5.072 1.00 0.00 N ATOM 1166 CD2 HIS A 125 6.720 7.416 3.667 1.00 0.00 C ATOM 1167 CE1 HIS A 125 7.824 6.531 5.310 1.00 0.00 C ATOM 1168 NE2 HIS A 125 6.819 6.259 4.460 1.00 0.00 N ATOM 0 H HIS A 125 5.781 10.283 1.892 1.00 0.00 H new ATOM 0 HA HIS A 125 6.927 11.024 4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 125 8.158 9.373 2.273 1.00 0.00 H new ATOM 0 HB3 HIS A 125 9.020 9.872 3.715 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.094 8.171 5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 125 5.995 7.560 2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 125 8.175 5.861 6.081 1.00 0.00 H new ATOM 0 HE2 HIS A 125 6.258 5.409 4.403 1.00 0.00 H new ATOM 1176 N PRO A 126 7.307 13.254 2.987 1.00 0.00 N ATOM 1177 CA PRO A 126 7.839 14.447 2.308 1.00 0.00 C ATOM 1178 C PRO A 126 9.215 14.905 2.812 1.00 0.00 C ATOM 1179 O PRO A 126 9.541 14.795 4.009 1.00 0.00 O ATOM 1180 CB PRO A 126 6.783 15.503 2.599 1.00 0.00 C ATOM 1181 CG PRO A 126 6.219 15.078 3.907 1.00 0.00 C ATOM 1182 CD PRO A 126 6.207 13.596 3.875 1.00 0.00 C ATOM 0 HA PRO A 126 8.011 14.251 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 126 7.218 16.501 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.019 15.531 1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 126 6.826 15.447 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 126 5.214 15.475 4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 126 6.351 13.174 4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.258 13.213 3.501 1.00 0.00 H new ATOM 1190 N GLY A 127 10.014 15.411 1.886 1.00 0.00 N ATOM 1191 CA GLY A 127 11.326 15.915 2.216 1.00 0.00 C ATOM 1192 C GLY A 127 12.278 15.877 1.035 1.00 0.00 C ATOM 1193 O GLY A 127 13.102 16.781 0.872 1.00 0.00 O ATOM 0 H GLY A 127 9.770 15.481 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.238 16.941 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.743 15.326 3.033 1.00 0.00 H new ATOM 1197 N GLU A 128 12.165 14.833 0.217 1.00 0.00 N ATOM 1198 CA GLU A 128 13.015 14.638 -0.966 1.00 0.00 C ATOM 1199 C GLU A 128 12.430 13.541 -1.833 1.00 0.00 C ATOM 1200 O GLU A 128 11.438 12.912 -1.452 1.00 0.00 O ATOM 1201 CB GLU A 128 14.434 14.240 -0.567 1.00 0.00 C ATOM 1202 CG GLU A 128 14.513 12.957 0.238 1.00 0.00 C ATOM 1203 CD GLU A 128 15.915 12.532 0.473 1.00 0.00 C ATOM 1204 OE1 GLU A 128 16.707 13.338 0.977 1.00 0.00 O ATOM 1205 OE2 GLU A 128 16.269 11.404 0.112 1.00 0.00 O ATOM 0 H GLU A 128 11.478 14.091 0.353 1.00 0.00 H new ATOM 0 HA GLU A 128 13.054 15.580 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 128 15.036 14.128 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 128 14.877 15.049 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 128 14.012 13.099 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 128 13.978 12.166 -0.288 1.00 0.00 H new ATOM 1212 N GLU A 129 13.021 13.307 -2.975 1.00 0.00 N ATOM 1213 CA GLU A 129 12.582 12.238 -3.836 1.00 0.00 C ATOM 1214 C GLU A 129 13.731 11.289 -4.076 1.00 0.00 C ATOM 1215 O GLU A 129 14.539 11.507 -4.981 1.00 0.00 O ATOM 1216 CB GLU A 129 12.100 12.790 -5.171 1.00 0.00 C ATOM 1217 CG GLU A 129 11.716 11.731 -6.212 1.00 0.00 C ATOM 1218 CD GLU A 129 10.487 10.973 -5.875 1.00 0.00 C ATOM 1219 OE1 GLU A 129 9.396 11.503 -6.059 1.00 0.00 O ATOM 1220 OE2 GLU A 129 10.612 9.806 -5.446 1.00 0.00 O ATOM 0 H GLU A 129 13.811 13.844 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 129 11.757 11.714 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.236 13.430 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.884 13.421 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.577 12.218 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.543 11.030 -6.325 1.00 0.00 H new ATOM 1227 N ASN A 130 13.824 10.256 -3.260 1.00 0.00 N ATOM 1228 CA ASN A 130 14.888 9.259 -3.381 1.00 0.00 C ATOM 1229 C ASN A 130 14.418 7.968 -2.783 1.00 0.00 C ATOM 1230 O ASN A 130 14.506 7.763 -1.578 1.00 0.00 O ATOM 1231 CB ASN A 130 16.198 9.702 -2.655 1.00 0.00 C ATOM 1232 CG ASN A 130 16.785 10.981 -3.204 1.00 0.00 C ATOM 1233 OD1 ASN A 130 16.320 12.080 -2.679 1.00 0.00 O flip ATOM 1234 ND2 ASN A 130 17.641 10.973 -4.092 1.00 0.00 N flip ATOM 0 H ASN A 130 13.171 10.079 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 130 15.114 9.143 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 130 15.990 9.833 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 130 16.938 8.906 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 130 17.974 10.087 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 130 18.016 11.853 -4.447 1.00 0.00 H new ATOM 1241 N PHE A 131 13.875 7.144 -3.601 1.00 0.00 N ATOM 1242 CA PHE A 131 13.447 5.834 -3.215 1.00 0.00 C ATOM 1243 C PHE A 131 14.338 4.786 -3.845 1.00 0.00 C ATOM 1244 O PHE A 131 14.767 4.934 -4.993 1.00 0.00 O ATOM 1245 CB PHE A 131 12.004 5.595 -3.623 1.00 0.00 C ATOM 1246 CG PHE A 131 11.008 5.693 -2.519 1.00 0.00 C ATOM 1247 CD1 PHE A 131 10.909 4.686 -1.577 1.00 0.00 C ATOM 1248 CD2 PHE A 131 10.114 6.731 -2.471 1.00 0.00 C ATOM 1249 CE1 PHE A 131 9.938 4.710 -0.613 1.00 0.00 C ATOM 1250 CE2 PHE A 131 9.142 6.767 -1.475 1.00 0.00 C ATOM 1251 CZ PHE A 131 9.055 5.753 -0.561 1.00 0.00 C ATOM 0 H PHE A 131 13.708 7.359 -4.584 1.00 0.00 H new ATOM 0 HA PHE A 131 13.518 5.760 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 131 11.738 6.316 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 131 11.929 4.604 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 131 11.611 3.865 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 131 10.164 7.521 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 131 9.869 3.907 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 131 8.454 7.598 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 131 8.290 5.776 0.201 1.00 0.00 H new ATOM 1261 N LYS A 132 14.594 3.746 -3.114 1.00 0.00 N ATOM 1262 CA LYS A 132 15.444 2.670 -3.549 1.00 0.00 C ATOM 1263 C LYS A 132 14.575 1.424 -3.734 1.00 0.00 C ATOM 1264 O LYS A 132 13.458 1.382 -3.234 1.00 0.00 O ATOM 1265 CB LYS A 132 16.525 2.400 -2.500 1.00 0.00 C ATOM 1266 CG LYS A 132 16.147 1.354 -1.479 1.00 0.00 C ATOM 1267 CD LYS A 132 17.254 1.073 -0.514 1.00 0.00 C ATOM 1268 CE LYS A 132 16.975 -0.230 0.185 1.00 0.00 C ATOM 1269 NZ LYS A 132 17.943 -0.522 1.258 1.00 0.00 N ATOM 0 H LYS A 132 14.212 3.614 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 132 15.933 2.933 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.437 2.084 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 132 16.754 3.331 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 132 15.266 1.687 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 132 15.873 0.432 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 132 18.208 1.022 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 132 17.334 1.881 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.970 -0.203 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.993 -1.040 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.703 -1.430 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 18.901 -0.576 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.909 0.234 1.971 1.00 0.00 H new ATOM 1283 N LEU A 133 15.088 0.418 -4.393 1.00 0.00 N ATOM 1284 CA LEU A 133 14.317 -0.766 -4.662 1.00 0.00 C ATOM 1285 C LEU A 133 15.062 -1.992 -4.168 1.00 0.00 C ATOM 1286 O LEU A 133 16.180 -2.272 -4.597 1.00 0.00 O ATOM 1287 CB LEU A 133 13.951 -0.909 -6.164 1.00 0.00 C ATOM 1288 CG LEU A 133 15.111 -0.969 -7.180 1.00 0.00 C ATOM 1289 CD1 LEU A 133 14.620 -1.566 -8.488 1.00 0.00 C ATOM 1290 CD2 LEU A 133 15.682 0.423 -7.459 1.00 0.00 C ATOM 0 H LEU A 133 16.041 0.396 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 133 13.375 -0.674 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.356 -1.815 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 133 13.310 -0.070 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 133 15.896 -1.591 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 133 15.443 -1.606 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.245 -2.574 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 133 13.819 -0.947 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 133 16.497 0.344 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 133 14.899 1.063 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 133 16.057 0.855 -6.531 1.00 0.00 H new ATOM 1302 N THR A 134 14.462 -2.696 -3.269 1.00 0.00 N ATOM 1303 CA THR A 134 15.041 -3.866 -2.704 1.00 0.00 C ATOM 1304 C THR A 134 13.980 -4.957 -2.674 1.00 0.00 C ATOM 1305 O THR A 134 12.956 -4.807 -2.039 1.00 0.00 O ATOM 1306 CB THR A 134 15.590 -3.558 -1.273 1.00 0.00 C ATOM 1307 OG1 THR A 134 16.098 -4.738 -0.631 1.00 0.00 O ATOM 1308 CG2 THR A 134 14.553 -2.876 -0.382 1.00 0.00 C ATOM 0 H THR A 134 13.538 -2.470 -2.900 1.00 0.00 H new ATOM 0 HA THR A 134 15.884 -4.205 -3.306 1.00 0.00 H new ATOM 0 HB THR A 134 16.415 -2.860 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 134 16.434 -4.507 0.260 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.986 -2.685 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.249 -1.932 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.683 -3.524 -0.275 1.00 0.00 H new ATOM 1316 N MET A 135 14.153 -6.027 -3.393 1.00 0.00 N ATOM 1317 CA MET A 135 13.101 -7.001 -3.349 1.00 0.00 C ATOM 1318 C MET A 135 13.455 -8.037 -2.349 1.00 0.00 C ATOM 1319 O MET A 135 14.342 -8.868 -2.585 1.00 0.00 O ATOM 1320 CB MET A 135 12.964 -7.648 -4.717 1.00 0.00 C ATOM 1321 CG MET A 135 11.916 -8.736 -4.819 1.00 0.00 C ATOM 1322 SD MET A 135 11.900 -9.487 -6.455 1.00 0.00 S ATOM 1323 CE MET A 135 10.609 -10.698 -6.251 1.00 0.00 C ATOM 0 H MET A 135 14.958 -6.242 -3.982 1.00 0.00 H new ATOM 0 HA MET A 135 12.159 -6.525 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 135 12.729 -6.872 -5.445 1.00 0.00 H new ATOM 0 HB3 MET A 135 13.929 -8.069 -4.999 1.00 0.00 H new ATOM 0 HG2 MET A 135 12.111 -9.502 -4.068 1.00 0.00 H new ATOM 0 HG3 MET A 135 10.934 -8.318 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 135 9.907 -10.624 -7.081 1.00 0.00 H new ATOM 0 HE2 MET A 135 11.046 -11.696 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 135 10.083 -10.515 -5.314 1.00 0.00 H new ATOM 1333 N VAL A 136 12.793 -7.974 -1.234 1.00 0.00 N ATOM 1334 CA VAL A 136 12.893 -8.953 -0.201 1.00 0.00 C ATOM 1335 C VAL A 136 11.574 -9.034 0.538 1.00 0.00 C ATOM 1336 O VAL A 136 11.275 -8.166 1.301 1.00 0.00 O ATOM 1337 CB VAL A 136 14.060 -8.609 0.797 1.00 0.00 C ATOM 1338 CG1 VAL A 136 15.388 -9.127 0.281 1.00 0.00 C ATOM 1339 CG2 VAL A 136 14.170 -7.091 0.995 1.00 0.00 C ATOM 0 H VAL A 136 12.149 -7.215 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 136 13.119 -9.919 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 136 13.828 -9.091 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.177 -8.876 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.336 -10.210 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.607 -8.669 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 136 14.982 -6.872 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.372 -6.613 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 136 13.234 -6.708 1.401 1.00 0.00 H new ATOM 1349 N LYS A 137 10.814 -10.042 0.381 1.00 0.00 N ATOM 1350 CA LYS A 137 9.616 -10.116 1.170 1.00 0.00 C ATOM 1351 C LYS A 137 9.460 -11.521 1.647 1.00 0.00 C ATOM 1352 O LYS A 137 9.293 -12.449 0.851 1.00 0.00 O ATOM 1353 CB LYS A 137 8.400 -9.621 0.395 1.00 0.00 C ATOM 1354 CG LYS A 137 7.217 -9.157 1.242 1.00 0.00 C ATOM 1355 CD LYS A 137 7.602 -7.903 2.009 1.00 0.00 C ATOM 1356 CE LYS A 137 6.410 -7.073 2.509 1.00 0.00 C ATOM 1357 NZ LYS A 137 6.861 -6.165 3.571 1.00 0.00 N ATOM 0 H LYS A 137 10.976 -10.817 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 137 9.696 -9.455 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.711 -8.795 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.061 -10.422 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.356 -8.956 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.922 -9.944 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.214 -8.189 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 137 8.222 -7.276 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.979 -6.503 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.627 -7.731 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.067 -5.566 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.206 -6.721 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.629 -5.564 3.211 1.00 0.00 H new ATOM 1371 N ARG A 138 9.584 -11.702 2.916 1.00 0.00 N ATOM 1372 CA ARG A 138 9.519 -13.014 3.475 1.00 0.00 C ATOM 1373 C ARG A 138 8.348 -13.095 4.426 1.00 0.00 C ATOM 1374 O ARG A 138 7.978 -12.081 5.026 1.00 0.00 O ATOM 1375 CB ARG A 138 10.859 -13.420 4.147 1.00 0.00 C ATOM 1376 CG ARG A 138 12.071 -13.468 3.181 1.00 0.00 C ATOM 1377 CD ARG A 138 12.666 -12.077 2.870 1.00 0.00 C ATOM 1378 NE ARG A 138 13.428 -11.520 4.007 1.00 0.00 N ATOM 1379 CZ ARG A 138 13.580 -10.212 4.312 1.00 0.00 C ATOM 1380 NH1 ARG A 138 12.911 -9.273 3.655 1.00 0.00 N ATOM 1381 NH2 ARG A 138 14.395 -9.858 5.301 1.00 0.00 N ATOM 0 H ARG A 138 9.732 -10.954 3.594 1.00 0.00 H new ATOM 0 HA ARG A 138 9.360 -13.736 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.077 -12.715 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.738 -14.400 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 138 12.847 -14.098 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.763 -13.940 2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 138 13.319 -12.151 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 138 11.861 -11.392 2.606 1.00 0.00 H new ATOM 0 HE ARG A 138 13.886 -12.191 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.269 -9.533 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.038 -8.291 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 138 14.901 -10.572 5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 138 14.514 -8.873 5.536 1.00 0.00 H new ATOM 1395 N ASN A 139 7.729 -14.272 4.484 1.00 0.00 N ATOM 1396 CA ASN A 139 6.542 -14.574 5.327 1.00 0.00 C ATOM 1397 C ASN A 139 5.289 -13.910 4.724 1.00 0.00 C ATOM 1398 O ASN A 139 4.262 -13.714 5.383 1.00 0.00 O ATOM 1399 CB ASN A 139 6.755 -14.176 6.822 1.00 0.00 C ATOM 1400 CG ASN A 139 5.638 -14.665 7.752 1.00 0.00 C ATOM 1401 OD1 ASN A 139 5.011 -15.703 7.507 1.00 0.00 O ATOM 1402 ND2 ASN A 139 5.383 -13.937 8.810 1.00 0.00 N ATOM 0 H ASN A 139 8.037 -15.075 3.935 1.00 0.00 H new ATOM 0 HA ASN A 139 6.394 -15.654 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 139 7.706 -14.582 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 139 6.827 -13.091 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 139 4.650 -14.221 9.460 1.00 0.00 H new ATOM 0 HD22 ASN A 139 5.918 -13.086 8.985 1.00 0.00 H new ATOM 1409 N ASN A 140 5.369 -13.617 3.442 1.00 0.00 N ATOM 1410 CA ASN A 140 4.265 -12.997 2.717 1.00 0.00 C ATOM 1411 C ASN A 140 4.208 -13.576 1.305 1.00 0.00 C ATOM 1412 O ASN A 140 3.481 -14.538 1.042 1.00 0.00 O ATOM 1413 CB ASN A 140 4.414 -11.455 2.633 1.00 0.00 C ATOM 1414 CG ASN A 140 4.373 -10.714 3.957 1.00 0.00 C ATOM 1415 OD1 ASN A 140 3.320 -10.314 4.428 1.00 0.00 O ATOM 1416 ND2 ASN A 140 5.517 -10.487 4.540 1.00 0.00 N ATOM 0 H ASN A 140 6.194 -13.799 2.871 1.00 0.00 H new ATOM 0 HA ASN A 140 3.345 -13.211 3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 140 5.359 -11.227 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 140 3.619 -11.066 1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.549 -9.962 5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.380 -10.834 4.122 1.00 0.00 H new ATOM 1423 N GLN A 141 5.024 -13.012 0.434 1.00 0.00 N ATOM 1424 CA GLN A 141 5.199 -13.400 -0.953 1.00 0.00 C ATOM 1425 C GLN A 141 6.401 -12.641 -1.408 1.00 0.00 C ATOM 1426 O GLN A 141 6.817 -11.758 -0.692 1.00 0.00 O ATOM 1427 CB GLN A 141 4.003 -13.017 -1.852 1.00 0.00 C ATOM 1428 CG GLN A 141 3.770 -11.526 -2.110 1.00 0.00 C ATOM 1429 CD GLN A 141 3.146 -10.783 -0.963 1.00 0.00 C ATOM 1430 OE1 GLN A 141 3.952 -10.169 -0.160 1.00 0.00 O flip ATOM 1431 NE2 GLN A 141 1.943 -10.714 -0.842 1.00 0.00 N flip ATOM 0 H GLN A 141 5.618 -12.224 0.692 1.00 0.00 H new ATOM 0 HA GLN A 141 5.294 -14.483 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 141 4.133 -13.510 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 141 3.098 -13.428 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 141 4.725 -11.059 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 141 3.131 -11.418 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 141 1.336 -11.211 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 141 1.537 -10.159 -0.089 1.00 0.00 H new ATOM 1440 N THR A 142 6.920 -12.905 -2.571 1.00 0.00 N ATOM 1441 CA THR A 142 8.080 -12.195 -3.012 1.00 0.00 C ATOM 1442 C THR A 142 7.679 -10.983 -3.877 1.00 0.00 C ATOM 1443 O THR A 142 7.181 -11.108 -5.004 1.00 0.00 O ATOM 1444 CB THR A 142 9.064 -13.143 -3.737 1.00 0.00 C ATOM 1445 OG1 THR A 142 8.406 -13.862 -4.806 1.00 0.00 O ATOM 1446 CG2 THR A 142 9.639 -14.150 -2.756 1.00 0.00 C ATOM 0 H THR A 142 6.561 -13.601 -3.225 1.00 0.00 H new ATOM 0 HA THR A 142 8.606 -11.804 -2.141 1.00 0.00 H new ATOM 0 HB THR A 142 9.862 -12.530 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 142 7.699 -13.302 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.330 -14.812 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 142 10.170 -13.623 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 142 8.830 -14.738 -2.323 1.00 0.00 H new ATOM 1454 N ILE A 143 7.881 -9.824 -3.299 1.00 0.00 N ATOM 1455 CA ILE A 143 7.504 -8.531 -3.829 1.00 0.00 C ATOM 1456 C ILE A 143 8.619 -7.509 -3.618 1.00 0.00 C ATOM 1457 O ILE A 143 9.472 -7.710 -2.746 1.00 0.00 O ATOM 1458 CB ILE A 143 6.118 -8.036 -3.343 1.00 0.00 C ATOM 1459 CG1 ILE A 143 5.994 -8.096 -1.860 1.00 0.00 C ATOM 1460 CG2 ILE A 143 4.986 -8.776 -4.003 1.00 0.00 C ATOM 1461 CD1 ILE A 143 6.683 -6.959 -1.186 1.00 0.00 C ATOM 0 H ILE A 143 8.340 -9.751 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 143 7.377 -8.656 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 143 6.046 -6.990 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 143 4.939 -8.092 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 143 6.413 -9.036 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 143 4.035 -8.394 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 143 5.037 -8.632 -5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 143 5.064 -9.839 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 143 6.563 -7.049 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 143 7.744 -6.977 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 143 6.247 -6.018 -1.522 1.00 0.00 H new ATOM 1473 N PHE A 144 8.653 -6.474 -4.413 1.00 0.00 N ATOM 1474 CA PHE A 144 9.743 -5.520 -4.378 1.00 0.00 C ATOM 1475 C PHE A 144 9.420 -4.439 -3.359 1.00 0.00 C ATOM 1476 O PHE A 144 8.347 -3.830 -3.392 1.00 0.00 O ATOM 1477 CB PHE A 144 9.849 -4.812 -5.736 1.00 0.00 C ATOM 1478 CG PHE A 144 10.180 -5.675 -6.911 1.00 0.00 C ATOM 1479 CD1 PHE A 144 9.188 -6.368 -7.589 1.00 0.00 C ATOM 1480 CD2 PHE A 144 11.481 -5.772 -7.351 1.00 0.00 C ATOM 1481 CE1 PHE A 144 9.497 -7.147 -8.685 1.00 0.00 C ATOM 1482 CE2 PHE A 144 11.801 -6.546 -8.450 1.00 0.00 C ATOM 1483 CZ PHE A 144 10.806 -7.236 -9.119 1.00 0.00 C ATOM 0 H PHE A 144 7.932 -6.263 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 144 10.664 -6.048 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 144 8.901 -4.312 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 144 10.609 -4.035 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 144 8.163 -6.297 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 144 12.261 -5.236 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 144 8.717 -7.686 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 144 12.825 -6.612 -8.786 1.00 0.00 H new ATOM 0 HZ PHE A 144 11.052 -7.843 -9.978 1.00 0.00 H new ATOM 1493 N GLU A 145 10.335 -4.230 -2.445 1.00 0.00 N ATOM 1494 CA GLU A 145 10.167 -3.265 -1.416 1.00 0.00 C ATOM 1495 C GLU A 145 10.873 -1.987 -1.828 1.00 0.00 C ATOM 1496 O GLU A 145 11.933 -2.026 -2.462 1.00 0.00 O ATOM 1497 CB GLU A 145 10.713 -3.779 -0.071 1.00 0.00 C ATOM 1498 CG GLU A 145 10.222 -5.154 0.342 1.00 0.00 C ATOM 1499 CD GLU A 145 10.194 -5.326 1.856 1.00 0.00 C ATOM 1500 OE1 GLU A 145 11.238 -5.632 2.469 1.00 0.00 O ATOM 1501 OE2 GLU A 145 9.099 -5.102 2.481 1.00 0.00 O ATOM 0 H GLU A 145 11.220 -4.735 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 145 9.103 -3.072 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 145 11.802 -3.800 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.445 -3.066 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.221 -5.316 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.868 -5.915 -0.096 1.00 0.00 H new ATOM 1508 N GLN A 146 10.291 -0.878 -1.509 1.00 0.00 N ATOM 1509 CA GLN A 146 10.840 0.386 -1.891 1.00 0.00 C ATOM 1510 C GLN A 146 11.116 1.204 -0.630 1.00 0.00 C ATOM 1511 O GLN A 146 10.176 1.550 0.108 1.00 0.00 O ATOM 1512 CB GLN A 146 9.851 1.098 -2.821 1.00 0.00 C ATOM 1513 CG GLN A 146 10.514 2.124 -3.698 1.00 0.00 C ATOM 1514 CD GLN A 146 9.591 2.789 -4.682 1.00 0.00 C ATOM 1515 OE1 GLN A 146 9.004 3.884 -4.293 1.00 0.00 O flip ATOM 1516 NE2 GLN A 146 9.411 2.320 -5.801 1.00 0.00 N flip ATOM 0 H GLN A 146 9.423 -0.820 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 146 11.779 0.258 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 146 9.351 0.359 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 146 9.080 1.582 -2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 146 10.963 2.889 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.326 1.646 -4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 146 9.886 1.460 -6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 146 8.787 2.790 -6.457 1.00 0.00 H new ATOM 1525 N THR A 147 12.387 1.457 -0.350 1.00 0.00 N ATOM 1526 CA THR A 147 12.795 2.161 0.865 1.00 0.00 C ATOM 1527 C THR A 147 13.391 3.503 0.530 1.00 0.00 C ATOM 1528 O THR A 147 13.772 3.746 -0.605 1.00 0.00 O ATOM 1529 CB THR A 147 13.867 1.360 1.610 1.00 0.00 C ATOM 1530 OG1 THR A 147 14.033 0.071 0.985 1.00 0.00 O ATOM 1531 CG2 THR A 147 13.471 1.168 3.057 1.00 0.00 C ATOM 0 H THR A 147 13.163 1.183 -0.953 1.00 0.00 H new ATOM 0 HA THR A 147 11.905 2.285 1.483 1.00 0.00 H new ATOM 0 HB THR A 147 14.806 1.912 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 147 14.340 -0.579 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 147 14.243 0.597 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 147 13.358 2.141 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 147 12.526 0.628 3.107 1.00 0.00 H new ATOM 1539 N ILE A 148 13.490 4.353 1.499 1.00 0.00 N ATOM 1540 CA ILE A 148 14.063 5.650 1.319 1.00 0.00 C ATOM 1541 C ILE A 148 15.386 5.673 2.049 1.00 0.00 C ATOM 1542 O ILE A 148 15.614 4.889 2.976 1.00 0.00 O ATOM 1543 CB ILE A 148 13.142 6.746 1.895 1.00 0.00 C ATOM 1544 CG1 ILE A 148 11.700 6.412 1.513 1.00 0.00 C ATOM 1545 CG2 ILE A 148 13.541 8.076 1.260 1.00 0.00 C ATOM 1546 CD1 ILE A 148 10.620 6.996 2.378 1.00 0.00 C ATOM 0 H ILE A 148 13.172 4.166 2.450 1.00 0.00 H new ATOM 0 HA ILE A 148 14.195 5.847 0.255 1.00 0.00 H new ATOM 0 HB ILE A 148 13.231 6.806 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 148 11.533 6.746 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 148 11.590 5.328 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 148 12.905 8.871 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.582 8.295 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 148 13.421 8.013 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 148 9.645 6.685 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 148 10.744 6.644 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 148 10.686 8.084 2.358 1.00 0.00 H new ATOM 1558 N ASN A 149 16.260 6.523 1.615 1.00 0.00 N ATOM 1559 CA ASN A 149 17.566 6.668 2.208 1.00 0.00 C ATOM 1560 C ASN A 149 17.600 7.855 3.162 1.00 0.00 C ATOM 1561 O ASN A 149 18.668 8.255 3.620 1.00 0.00 O ATOM 1562 CB ASN A 149 18.632 6.832 1.095 1.00 0.00 C ATOM 1563 CG ASN A 149 18.278 7.876 0.021 1.00 0.00 C ATOM 1564 OD1 ASN A 149 17.583 8.923 0.389 1.00 0.00 O flip ATOM 1565 ND2 ASN A 149 18.658 7.734 -1.139 1.00 0.00 N flip ATOM 0 H ASN A 149 16.092 7.149 0.827 1.00 0.00 H new ATOM 0 HA ASN A 149 17.790 5.770 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 149 19.580 7.110 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 149 18.784 5.868 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 149 19.198 6.910 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 149 18.433 8.441 -1.839 1.00 0.00 H new ATOM 1572 N ASP A 150 16.432 8.420 3.459 1.00 0.00 N ATOM 1573 CA ASP A 150 16.388 9.626 4.275 1.00 0.00 C ATOM 1574 C ASP A 150 15.054 9.781 4.962 1.00 0.00 C ATOM 1575 O ASP A 150 14.972 9.914 6.175 1.00 0.00 O ATOM 1576 CB ASP A 150 16.590 10.806 3.389 1.00 0.00 C ATOM 1577 CG ASP A 150 16.862 12.072 4.179 1.00 0.00 C ATOM 1578 OD1 ASP A 150 18.022 12.297 4.592 1.00 0.00 O ATOM 1579 OD2 ASP A 150 15.940 12.859 4.401 1.00 0.00 O ATOM 0 H ASP A 150 15.524 8.070 3.154 1.00 0.00 H new ATOM 0 HA ASP A 150 17.167 9.553 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 150 17.424 10.614 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 150 15.705 10.949 2.769 1.00 0.00 H new ATOM 1584 N LEU A 151 13.993 9.712 4.174 1.00 0.00 N ATOM 1585 CA LEU A 151 12.615 9.887 4.656 1.00 0.00 C ATOM 1586 C LEU A 151 12.120 8.595 5.311 1.00 0.00 C ATOM 1587 O LEU A 151 10.935 8.405 5.522 1.00 0.00 O ATOM 1588 CB LEU A 151 11.734 10.194 3.471 1.00 0.00 C ATOM 1589 CG LEU A 151 12.226 11.271 2.528 1.00 0.00 C ATOM 1590 CD1 LEU A 151 11.654 11.037 1.164 1.00 0.00 C ATOM 1591 CD2 LEU A 151 11.764 12.602 2.997 1.00 0.00 C ATOM 0 H LEU A 151 14.055 9.532 3.172 1.00 0.00 H new ATOM 0 HA LEU A 151 12.583 10.696 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 151 11.598 9.276 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 151 10.752 10.487 3.842 1.00 0.00 H new ATOM 0 HG LEU A 151 13.315 11.240 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.007 11.812 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 151 11.972 10.061 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 151 10.566 11.068 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 151 12.121 13.373 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 151 10.675 12.620 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 151 12.156 12.792 3.996 1.00 0.00 H new ATOM 1603 N THR A 152 13.066 7.754 5.631 1.00 0.00 N ATOM 1604 CA THR A 152 12.938 6.444 6.234 1.00 0.00 C ATOM 1605 C THR A 152 12.155 6.475 7.582 1.00 0.00 C ATOM 1606 O THR A 152 11.737 5.433 8.102 1.00 0.00 O ATOM 1607 CB THR A 152 14.378 5.992 6.479 1.00 0.00 C ATOM 1608 OG1 THR A 152 15.131 6.334 5.300 1.00 0.00 O ATOM 1609 CG2 THR A 152 14.495 4.493 6.715 1.00 0.00 C ATOM 0 H THR A 152 14.044 7.987 5.461 1.00 0.00 H new ATOM 0 HA THR A 152 12.375 5.773 5.585 1.00 0.00 H new ATOM 0 HB THR A 152 14.751 6.485 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 152 15.126 5.577 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 152 15.540 4.232 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 152 13.906 4.215 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 152 14.123 3.957 5.842 1.00 0.00 H new ATOM 1617 N PHE A 153 11.994 7.654 8.142 1.00 0.00 N ATOM 1618 CA PHE A 153 11.252 7.842 9.386 1.00 0.00 C ATOM 1619 C PHE A 153 9.749 7.603 9.178 1.00 0.00 C ATOM 1620 O PHE A 153 9.236 7.722 8.051 1.00 0.00 O ATOM 1621 CB PHE A 153 11.509 9.254 9.964 1.00 0.00 C ATOM 1622 CG PHE A 153 11.143 10.397 9.039 1.00 0.00 C ATOM 1623 CD1 PHE A 153 9.863 10.933 9.043 1.00 0.00 C ATOM 1624 CD2 PHE A 153 12.082 10.934 8.174 1.00 0.00 C ATOM 1625 CE1 PHE A 153 9.527 11.974 8.205 1.00 0.00 C ATOM 1626 CE2 PHE A 153 11.749 11.978 7.331 1.00 0.00 C ATOM 1627 CZ PHE A 153 10.469 12.497 7.347 1.00 0.00 C ATOM 0 H PHE A 153 12.372 8.517 7.752 1.00 0.00 H new ATOM 0 HA PHE A 153 11.609 7.105 10.106 1.00 0.00 H new ATOM 0 HB2 PHE A 153 10.944 9.360 10.890 1.00 0.00 H new ATOM 0 HB3 PHE A 153 12.564 9.339 10.223 1.00 0.00 H new ATOM 0 HD1 PHE A 153 9.119 10.528 9.713 1.00 0.00 H new ATOM 0 HD2 PHE A 153 13.085 10.533 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 153 8.526 12.379 8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 153 12.490 12.388 6.660 1.00 0.00 H new ATOM 0 HZ PHE A 153 10.207 13.312 6.688 1.00 0.00 H new