USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 615 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 56 GLN : amide:sc= 0.967 K(o=3.6,f=-5!) USER MOD Set 1.2: A 58 TYR OH : rot -110:sc= 1.29 USER MOD Set 1.3: A 87 LYS NZ :NH3+ 131:sc= 1.31 (180deg=-0.0135) USER MOD Set 2.1: A 39 SER OG : rot 160:sc= 0.0574 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -126:sc= 1.2 (180deg=0.226) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-2.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= -2.24! (180deg=-4.89!) USER MOD Single : A 24 SER OG : rot -24:sc= 0.125 USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 0.887 (180deg=-0.559!) USER MOD Single : A 26 GLN : amide:sc= -0.445 K(o=-0.44,f=-4.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 38 SER OG : rot 80:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= 2.04 (180deg=1.5) USER MOD Single : A 45 HIS : no HE2:sc= 0.837 K(o=0.84,f=-2.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -130:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.137) USER MOD Single : A 55 MET CE :methyl 161:sc= -1.18 (180deg=-2.29!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -41:sc= 0.253 USER MOD Single : A 68 TYR OH : rot -129:sc= 1.27 USER MOD Single : A 70 ASN : amide:sc= 0.859 K(o=0.86,f=-0.078) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.246 F(o=-0.76,f=-0.25) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0786 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 38:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.943 2.102 -2.726 1.00 0.00 N ATOM 225 CA LYS A 15 -12.515 1.821 -2.662 1.00 0.00 C ATOM 226 C LYS A 15 -11.737 2.993 -3.236 1.00 0.00 C ATOM 227 O LYS A 15 -12.133 3.575 -4.252 1.00 0.00 O ATOM 228 CB LYS A 15 -12.164 0.532 -3.416 1.00 0.00 C ATOM 229 CG LYS A 15 -12.590 -0.754 -2.709 1.00 0.00 C ATOM 230 CD LYS A 15 -14.103 -0.915 -2.643 1.00 0.00 C ATOM 231 CE LYS A 15 -14.718 -1.067 -4.027 1.00 0.00 C ATOM 232 NZ LYS A 15 -16.196 -1.229 -3.964 1.00 0.00 N ATOM 0 HA LYS A 15 -12.241 1.679 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.633 0.563 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.086 0.503 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.160 -1.610 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.184 -0.759 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.349 -1.788 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.539 -0.049 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.474 -0.193 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.279 -1.931 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.576 -1.329 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.429 -2.078 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.618 -0.393 -3.511 1.00 0.00 H new ATOM 246 N ILE A 16 -10.638 3.334 -2.590 1.00 0.00 N ATOM 247 CA ILE A 16 -9.879 4.516 -2.955 1.00 0.00 C ATOM 248 C ILE A 16 -8.792 4.185 -3.961 1.00 0.00 C ATOM 249 O ILE A 16 -8.275 3.067 -3.999 1.00 0.00 O ATOM 250 CB ILE A 16 -9.248 5.188 -1.718 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.403 4.182 -0.930 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.332 5.785 -0.838 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.810 4.745 0.343 1.00 0.00 C ATOM 0 H ILE A 16 -10.250 2.808 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.582 5.213 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.592 5.991 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.021 3.319 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.595 3.822 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.875 6.257 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.890 6.531 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.009 4.997 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.226 3.973 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.164 5.589 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.612 5.078 1.002 1.00 0.00 H new ATOM 265 N HIS A 17 -8.459 5.162 -4.785 1.00 0.00 N ATOM 266 CA HIS A 17 -7.408 4.998 -5.768 1.00 0.00 C ATOM 267 C HIS A 17 -6.082 5.452 -5.183 1.00 0.00 C ATOM 268 O HIS A 17 -5.851 6.646 -4.989 1.00 0.00 O ATOM 269 CB HIS A 17 -7.734 5.775 -7.047 1.00 0.00 C ATOM 270 CG HIS A 17 -8.929 5.240 -7.773 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.114 5.926 -7.885 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.118 4.068 -8.412 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.983 5.199 -8.556 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.407 4.061 -8.892 1.00 0.00 N ATOM 0 H HIS A 17 -8.904 6.080 -4.791 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.333 3.943 -6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.908 6.821 -6.795 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.870 5.747 -7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.390 3.278 -8.526 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.997 5.486 -8.792 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.843 3.304 -9.418 1.00 0.00 H new ATOM 283 N VAL A 18 -5.236 4.490 -4.866 1.00 0.00 N ATOM 284 CA VAL A 18 -3.928 4.776 -4.302 1.00 0.00 C ATOM 285 C VAL A 18 -2.857 4.690 -5.377 1.00 0.00 C ATOM 286 O VAL A 18 -2.904 3.814 -6.244 1.00 0.00 O ATOM 287 CB VAL A 18 -3.581 3.797 -3.163 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.567 3.942 -2.015 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.556 2.366 -3.684 1.00 0.00 C ATOM 0 H VAL A 18 -5.432 3.497 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.962 5.787 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.588 4.039 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.306 3.243 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.529 4.961 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.574 3.727 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.310 1.686 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.535 2.109 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.805 2.278 -4.469 1.00 0.00 H new ATOM 299 N THR A 19 -1.899 5.595 -5.331 1.00 0.00 N ATOM 300 CA THR A 19 -0.830 5.593 -6.306 1.00 0.00 C ATOM 301 C THR A 19 0.362 4.807 -5.771 1.00 0.00 C ATOM 302 O THR A 19 1.031 5.236 -4.835 1.00 0.00 O ATOM 303 CB THR A 19 -0.400 7.027 -6.653 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.544 7.783 -7.086 1.00 0.00 O ATOM 305 CG2 THR A 19 0.656 7.024 -7.749 1.00 0.00 C ATOM 0 H THR A 19 -1.840 6.336 -4.633 1.00 0.00 H new ATOM 0 HA THR A 19 -1.197 5.116 -7.215 1.00 0.00 H new ATOM 0 HB THR A 19 0.028 7.486 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.268 8.697 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.945 8.050 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.530 6.467 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.250 6.553 -8.644 1.00 0.00 H new ATOM 313 N VAL A 20 0.606 3.650 -6.360 1.00 0.00 N ATOM 314 CA VAL A 20 1.694 2.787 -5.933 1.00 0.00 C ATOM 315 C VAL A 20 2.935 3.056 -6.776 1.00 0.00 C ATOM 316 O VAL A 20 2.943 2.815 -7.986 1.00 0.00 O ATOM 317 CB VAL A 20 1.300 1.297 -6.039 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.444 0.401 -5.591 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.049 1.013 -5.215 1.00 0.00 C ATOM 0 H VAL A 20 0.061 3.284 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 20 1.911 3.008 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 20 1.084 1.078 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.143 -0.643 -5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.314 0.579 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.696 0.624 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.213 -0.042 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.240 1.254 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.776 1.623 -5.583 1.00 0.00 H new ATOM 329 N LYS A 21 3.969 3.580 -6.137 1.00 0.00 N ATOM 330 CA LYS A 21 5.202 3.908 -6.828 1.00 0.00 C ATOM 331 C LYS A 21 6.271 2.858 -6.594 1.00 0.00 C ATOM 332 O LYS A 21 6.760 2.691 -5.477 1.00 0.00 O ATOM 333 CB LYS A 21 5.743 5.265 -6.382 1.00 0.00 C ATOM 334 CG LYS A 21 4.911 6.446 -6.836 1.00 0.00 C ATOM 335 CD LYS A 21 5.691 7.752 -6.760 1.00 0.00 C ATOM 336 CE LYS A 21 6.774 7.831 -7.831 1.00 0.00 C ATOM 337 NZ LYS A 21 7.998 7.053 -7.483 1.00 0.00 N ATOM 0 H LYS A 21 3.977 3.787 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 21 4.961 3.943 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.808 5.278 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.757 5.382 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.576 6.282 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.017 6.520 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.005 8.592 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.147 7.845 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.372 7.461 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.046 8.875 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.843 7.611 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.997 6.842 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.008 6.163 -8.021 1.00 0.00 H new ATOM 351 N PHE A 22 6.631 2.162 -7.654 1.00 0.00 N ATOM 352 CA PHE A 22 7.767 1.268 -7.628 1.00 0.00 C ATOM 353 C PHE A 22 8.970 1.963 -8.248 1.00 0.00 C ATOM 354 O PHE A 22 8.814 2.877 -9.060 1.00 0.00 O ATOM 355 CB PHE A 22 7.462 -0.028 -8.381 1.00 0.00 C ATOM 356 CG PHE A 22 6.834 -1.086 -7.525 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.490 -1.035 -7.207 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.597 -2.130 -7.033 1.00 0.00 C ATOM 359 CE1 PHE A 22 4.917 -2.008 -6.416 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.029 -3.109 -6.241 1.00 0.00 C ATOM 361 CZ PHE A 22 5.687 -3.046 -5.930 1.00 0.00 C ATOM 0 H PHE A 22 6.147 2.201 -8.551 1.00 0.00 H new ATOM 0 HA PHE A 22 7.986 1.011 -6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.797 0.194 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.387 -0.418 -8.806 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.882 -0.225 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.649 -2.180 -7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.865 -1.958 -6.176 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.634 -3.921 -5.866 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.239 -3.807 -5.308 1.00 0.00 H new ATOM 371 N PRO A 23 10.184 1.545 -7.877 1.00 0.00 N ATOM 372 CA PRO A 23 11.421 2.128 -8.412 1.00 0.00 C ATOM 373 C PRO A 23 11.534 1.996 -9.933 1.00 0.00 C ATOM 374 O PRO A 23 12.393 2.620 -10.554 1.00 0.00 O ATOM 375 CB PRO A 23 12.526 1.317 -7.726 1.00 0.00 C ATOM 376 CG PRO A 23 11.886 0.743 -6.510 1.00 0.00 C ATOM 377 CD PRO A 23 10.457 0.495 -6.882 1.00 0.00 C ATOM 0 HA PRO A 23 11.471 3.200 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.904 0.532 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.375 1.949 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.378 -0.182 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.957 1.432 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.316 -0.502 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.796 0.576 -6.019 1.00 0.00 H new ATOM 385 N SER A 24 10.655 1.195 -10.527 1.00 0.00 N ATOM 386 CA SER A 24 10.712 0.925 -11.956 1.00 0.00 C ATOM 387 C SER A 24 9.396 1.291 -12.663 1.00 0.00 C ATOM 388 O SER A 24 9.355 1.371 -13.891 1.00 0.00 O ATOM 389 CB SER A 24 11.039 -0.557 -12.182 1.00 0.00 C ATOM 390 OG SER A 24 11.263 -0.845 -13.552 1.00 0.00 O ATOM 0 H SER A 24 9.895 0.722 -10.039 1.00 0.00 H new ATOM 0 HA SER A 24 11.495 1.548 -12.387 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.924 -0.826 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.218 -1.171 -11.811 1.00 0.00 H new ATOM 0 HG SER A 24 10.806 -0.178 -14.106 1.00 0.00 H new ATOM 396 N LYS A 25 8.326 1.532 -11.902 1.00 0.00 N ATOM 397 CA LYS A 25 7.013 1.777 -12.508 1.00 0.00 C ATOM 398 C LYS A 25 6.084 2.504 -11.541 1.00 0.00 C ATOM 399 O LYS A 25 6.384 2.633 -10.357 1.00 0.00 O ATOM 400 CB LYS A 25 6.367 0.454 -12.933 1.00 0.00 C ATOM 401 CG LYS A 25 5.973 -0.430 -11.761 1.00 0.00 C ATOM 402 CD LYS A 25 5.363 -1.743 -12.214 1.00 0.00 C ATOM 403 CE LYS A 25 6.382 -2.611 -12.929 1.00 0.00 C ATOM 404 NZ LYS A 25 5.855 -3.970 -13.200 1.00 0.00 N ATOM 0 H LYS A 25 8.339 1.563 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 25 7.167 2.407 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.481 0.667 -13.532 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.061 -0.091 -13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.852 -0.632 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.260 0.102 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.968 -2.279 -11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.522 -1.545 -12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.667 -2.138 -13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.285 -2.686 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.599 -4.674 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.042 -4.157 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.554 -4.034 -14.194 1.00 0.00 H new ATOM 418 N GLN A 26 4.949 2.961 -12.049 1.00 0.00 N ATOM 419 CA GLN A 26 3.952 3.630 -11.225 1.00 0.00 C ATOM 420 C GLN A 26 2.552 3.273 -11.710 1.00 0.00 C ATOM 421 O GLN A 26 2.246 3.417 -12.895 1.00 0.00 O ATOM 422 CB GLN A 26 4.153 5.146 -11.281 1.00 0.00 C ATOM 423 CG GLN A 26 3.313 5.916 -10.276 1.00 0.00 C ATOM 424 CD GLN A 26 3.465 7.416 -10.427 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.360 8.023 -9.845 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.581 8.026 -11.197 1.00 0.00 N ATOM 0 H GLN A 26 4.694 2.880 -13.033 1.00 0.00 H new ATOM 0 HA GLN A 26 4.067 3.297 -10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.206 5.370 -11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.914 5.498 -12.285 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.264 5.645 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.601 5.624 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.852 7.486 -11.664 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.627 9.037 -11.325 1.00 0.00 H new ATOM 435 N PHE A 27 1.711 2.801 -10.802 1.00 0.00 N ATOM 436 CA PHE A 27 0.354 2.409 -11.157 1.00 0.00 C ATOM 437 C PHE A 27 -0.601 2.676 -10.001 1.00 0.00 C ATOM 438 O PHE A 27 -0.177 2.810 -8.854 1.00 0.00 O ATOM 439 CB PHE A 27 0.306 0.930 -11.566 1.00 0.00 C ATOM 440 CG PHE A 27 0.820 -0.022 -10.517 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.179 -0.276 -10.398 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.055 -0.674 -9.662 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.653 -1.157 -9.445 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.415 -1.555 -8.705 1.00 0.00 C ATOM 445 CZ PHE A 27 1.770 -1.797 -8.599 1.00 0.00 C ATOM 0 H PHE A 27 1.943 2.680 -9.816 1.00 0.00 H new ATOM 0 HA PHE A 27 0.037 3.010 -12.010 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.724 0.665 -11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.890 0.798 -12.477 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.874 0.221 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.116 -0.492 -9.744 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.713 -1.345 -9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.277 -2.053 -8.042 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.139 -2.487 -7.854 1.00 0.00 H new ATOM 455 N THR A 28 -1.885 2.758 -10.305 1.00 0.00 N ATOM 456 CA THR A 28 -2.893 3.026 -9.291 1.00 0.00 C ATOM 457 C THR A 28 -3.710 1.769 -9.007 1.00 0.00 C ATOM 458 O THR A 28 -4.017 0.998 -9.919 1.00 0.00 O ATOM 459 CB THR A 28 -3.841 4.151 -9.743 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.088 5.207 -10.355 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.636 4.714 -8.576 1.00 0.00 C ATOM 0 H THR A 28 -2.256 2.643 -11.248 1.00 0.00 H new ATOM 0 HA THR A 28 -2.376 3.338 -8.384 1.00 0.00 H new ATOM 0 HB THR A 28 -4.541 3.725 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.697 5.919 -10.642 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.294 5.506 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.233 3.921 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.951 5.120 -7.831 1.00 0.00 H new ATOM 469 N VAL A 29 -4.053 1.566 -7.746 1.00 0.00 N ATOM 470 CA VAL A 29 -4.810 0.389 -7.334 1.00 0.00 C ATOM 471 C VAL A 29 -6.031 0.808 -6.517 1.00 0.00 C ATOM 472 O VAL A 29 -5.990 1.821 -5.814 1.00 0.00 O ATOM 473 CB VAL A 29 -3.941 -0.578 -6.491 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.674 -1.885 -6.215 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.618 -0.855 -7.183 1.00 0.00 C ATOM 0 H VAL A 29 -3.819 2.203 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.128 -0.130 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.742 -0.092 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.037 -2.541 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.593 -1.678 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.917 -2.372 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.024 -1.536 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.805 -1.308 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.074 0.080 -7.316 1.00 0.00 H new ATOM 485 N GLU A 30 -7.116 0.052 -6.627 1.00 0.00 N ATOM 486 CA GLU A 30 -8.302 0.313 -5.826 1.00 0.00 C ATOM 487 C GLU A 30 -8.300 -0.550 -4.587 1.00 0.00 C ATOM 488 O GLU A 30 -8.468 -1.770 -4.657 1.00 0.00 O ATOM 489 CB GLU A 30 -9.574 0.063 -6.617 1.00 0.00 C ATOM 490 CG GLU A 30 -9.673 0.939 -7.843 1.00 0.00 C ATOM 491 CD GLU A 30 -10.952 0.737 -8.624 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.057 -0.267 -9.354 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.851 1.597 -8.525 1.00 0.00 O ATOM 0 H GLU A 30 -7.198 -0.743 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.278 1.364 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.611 -0.984 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.438 0.241 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.602 1.984 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.823 0.737 -8.494 1.00 0.00 H new ATOM 500 N VAL A 31 -8.098 0.087 -3.460 1.00 0.00 N ATOM 501 CA VAL A 31 -8.079 -0.614 -2.192 1.00 0.00 C ATOM 502 C VAL A 31 -9.053 0.035 -1.216 1.00 0.00 C ATOM 503 O VAL A 31 -9.378 1.217 -1.336 1.00 0.00 O ATOM 504 CB VAL A 31 -6.661 -0.660 -1.571 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.665 -1.278 -2.539 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.205 0.726 -1.148 1.00 0.00 C ATOM 0 H VAL A 31 -7.944 1.093 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.387 -1.642 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.708 -1.288 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.677 -1.299 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.975 -2.295 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.628 -0.684 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.206 0.664 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.184 1.383 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.897 1.126 -0.407 1.00 0.00 H new ATOM 516 N ASP A 32 -9.546 -0.759 -0.288 1.00 0.00 N ATOM 517 CA ASP A 32 -10.448 -0.276 0.753 1.00 0.00 C ATOM 518 C ASP A 32 -9.726 0.698 1.691 1.00 0.00 C ATOM 519 O ASP A 32 -8.526 0.573 1.919 1.00 0.00 O ATOM 520 CB ASP A 32 -11.000 -1.474 1.535 1.00 0.00 C ATOM 521 CG ASP A 32 -11.816 -1.086 2.746 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.596 -0.116 2.665 1.00 0.00 O ATOM 523 OD2 ASP A 32 -11.666 -1.744 3.797 1.00 0.00 O ATOM 0 H ASP A 32 -9.337 -1.756 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.274 0.264 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.618 -2.077 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.168 -2.102 1.854 1.00 0.00 H new ATOM 528 N ARG A 33 -10.457 1.666 2.234 1.00 0.00 N ATOM 529 CA ARG A 33 -9.863 2.654 3.130 1.00 0.00 C ATOM 530 C ARG A 33 -9.603 2.038 4.500 1.00 0.00 C ATOM 531 O ARG A 33 -8.701 2.455 5.232 1.00 0.00 O ATOM 532 CB ARG A 33 -10.763 3.886 3.269 1.00 0.00 C ATOM 533 CG ARG A 33 -12.151 3.584 3.809 1.00 0.00 C ATOM 534 CD ARG A 33 -12.988 4.849 3.921 1.00 0.00 C ATOM 535 NE ARG A 33 -12.358 5.852 4.779 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.193 7.129 4.434 1.00 0.00 C ATOM 537 NH1 ARG A 33 -12.591 7.556 3.237 1.00 0.00 N ATOM 538 NH2 ARG A 33 -11.629 7.976 5.284 1.00 0.00 N ATOM 0 H ARG A 33 -11.456 1.788 2.071 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.915 2.972 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.277 4.605 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.860 4.363 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.651 2.871 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.068 3.113 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.144 5.269 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.971 4.598 4.319 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.025 5.557 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.023 6.905 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.463 8.534 2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.322 7.650 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.502 8.953 5.021 1.00 0.00 H new ATOM 552 N THR A 34 -10.396 1.035 4.841 1.00 0.00 N ATOM 553 CA THR A 34 -10.220 0.309 6.082 1.00 0.00 C ATOM 554 C THR A 34 -9.360 -0.930 5.860 1.00 0.00 C ATOM 555 O THR A 34 -9.286 -1.813 6.713 1.00 0.00 O ATOM 556 CB THR A 34 -11.581 -0.084 6.687 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.566 -0.206 5.654 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.037 0.956 7.701 1.00 0.00 C ATOM 0 H THR A 34 -11.173 0.705 4.268 1.00 0.00 H new ATOM 0 HA THR A 34 -9.710 0.965 6.787 1.00 0.00 H new ATOM 0 HB THR A 34 -11.465 -1.044 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.402 -1.024 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.000 0.661 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.302 1.029 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.136 1.924 7.210 1.00 0.00 H new ATOM 566 N GLU A 35 -8.699 -0.973 4.708 1.00 0.00 N ATOM 567 CA GLU A 35 -7.815 -2.073 4.362 1.00 0.00 C ATOM 568 C GLU A 35 -6.641 -2.134 5.332 1.00 0.00 C ATOM 569 O GLU A 35 -6.153 -1.099 5.791 1.00 0.00 O ATOM 570 CB GLU A 35 -7.289 -1.885 2.941 1.00 0.00 C ATOM 571 CG GLU A 35 -6.699 -3.137 2.328 1.00 0.00 C ATOM 572 CD GLU A 35 -7.758 -4.166 2.010 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.102 -4.973 2.899 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.240 -4.178 0.863 1.00 0.00 O ATOM 0 H GLU A 35 -8.762 -0.248 3.993 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.377 -3.005 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.103 -1.533 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.529 -1.104 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.162 -2.876 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.970 -3.568 3.014 1.00 0.00 H new ATOM 581 N THR A 36 -6.211 -3.336 5.656 1.00 0.00 N ATOM 582 CA THR A 36 -5.039 -3.520 6.489 1.00 0.00 C ATOM 583 C THR A 36 -3.769 -3.344 5.663 1.00 0.00 C ATOM 584 O THR A 36 -3.771 -3.574 4.451 1.00 0.00 O ATOM 585 CB THR A 36 -5.037 -4.909 7.152 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.375 -5.913 6.186 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.018 -4.956 8.310 1.00 0.00 C ATOM 0 H THR A 36 -6.656 -4.203 5.355 1.00 0.00 H new ATOM 0 HA THR A 36 -5.068 -2.764 7.274 1.00 0.00 H new ATOM 0 HB THR A 36 -4.037 -5.103 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.370 -6.794 6.615 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.999 -5.947 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.738 -4.211 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.023 -4.743 7.945 1.00 0.00 H new ATOM 595 N VAL A 37 -2.692 -2.937 6.321 1.00 0.00 N ATOM 596 CA VAL A 37 -1.413 -2.726 5.650 1.00 0.00 C ATOM 597 C VAL A 37 -0.945 -4.006 4.956 1.00 0.00 C ATOM 598 O VAL A 37 -0.391 -3.967 3.855 1.00 0.00 O ATOM 599 CB VAL A 37 -0.328 -2.258 6.642 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.000 -2.032 5.933 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.773 -0.992 7.351 1.00 0.00 C ATOM 0 H VAL A 37 -2.677 -2.745 7.323 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.566 -1.946 4.904 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.185 -3.044 7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.747 -1.703 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.328 -2.963 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.877 -1.269 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.002 -0.673 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.946 -0.205 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.695 -1.187 7.899 1.00 0.00 H new ATOM 611 N SER A 38 -1.201 -5.142 5.591 1.00 0.00 N ATOM 612 CA SER A 38 -0.782 -6.426 5.050 1.00 0.00 C ATOM 613 C SER A 38 -1.619 -6.803 3.831 1.00 0.00 C ATOM 614 O SER A 38 -1.153 -7.523 2.946 1.00 0.00 O ATOM 615 CB SER A 38 -0.893 -7.512 6.118 1.00 0.00 C ATOM 616 OG SER A 38 0.029 -8.561 5.876 1.00 0.00 O ATOM 0 H SER A 38 -1.697 -5.200 6.481 1.00 0.00 H new ATOM 0 HA SER A 38 0.259 -6.339 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.707 -7.080 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.907 -7.911 6.132 1.00 0.00 H new ATOM 0 HG SER A 38 0.917 -8.296 6.195 1.00 0.00 H new ATOM 622 N SER A 39 -2.845 -6.296 3.774 1.00 0.00 N ATOM 623 CA SER A 39 -3.741 -6.601 2.674 1.00 0.00 C ATOM 624 C SER A 39 -3.358 -5.747 1.478 1.00 0.00 C ATOM 625 O SER A 39 -3.533 -6.144 0.324 1.00 0.00 O ATOM 626 CB SER A 39 -5.195 -6.356 3.086 1.00 0.00 C ATOM 627 OG SER A 39 -6.102 -6.770 2.078 1.00 0.00 O ATOM 0 H SER A 39 -3.238 -5.672 4.479 1.00 0.00 H new ATOM 0 HA SER A 39 -3.651 -7.653 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.407 -6.894 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.341 -5.296 3.294 1.00 0.00 H new ATOM 0 HG SER A 39 -6.989 -6.905 2.472 1.00 0.00 H new ATOM 633 N LEU A 40 -2.815 -4.570 1.771 1.00 0.00 N ATOM 634 CA LEU A 40 -2.264 -3.708 0.744 1.00 0.00 C ATOM 635 C LEU A 40 -1.085 -4.413 0.082 1.00 0.00 C ATOM 636 O LEU A 40 -1.009 -4.511 -1.142 1.00 0.00 O ATOM 637 CB LEU A 40 -1.804 -2.380 1.349 1.00 0.00 C ATOM 638 CG LEU A 40 -1.578 -1.265 0.336 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.901 -0.890 -0.301 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.935 -0.056 0.995 1.00 0.00 C ATOM 0 H LEU A 40 -2.747 -4.194 2.717 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.034 -3.498 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.548 -2.049 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.877 -2.548 1.898 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.896 -1.619 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.742 -0.092 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.322 -1.760 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.592 -0.548 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.784 0.726 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.586 0.316 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.027 -0.342 1.421 1.00 0.00 H new ATOM 652 N LYS A 41 -0.180 -4.923 0.919 1.00 0.00 N ATOM 653 CA LYS A 41 0.967 -5.696 0.453 1.00 0.00 C ATOM 654 C LYS A 41 0.509 -6.885 -0.385 1.00 0.00 C ATOM 655 O LYS A 41 1.069 -7.167 -1.444 1.00 0.00 O ATOM 656 CB LYS A 41 1.774 -6.224 1.642 1.00 0.00 C ATOM 657 CG LYS A 41 2.366 -5.161 2.551 1.00 0.00 C ATOM 658 CD LYS A 41 2.952 -5.807 3.798 1.00 0.00 C ATOM 659 CE LYS A 41 3.442 -4.787 4.812 1.00 0.00 C ATOM 660 NZ LYS A 41 3.907 -5.447 6.064 1.00 0.00 N ATOM 0 H LYS A 41 -0.223 -4.812 1.932 1.00 0.00 H new ATOM 0 HA LYS A 41 1.587 -5.036 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.130 -6.870 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.585 -6.845 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.141 -4.608 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.597 -4.442 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.197 -6.441 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.780 -6.455 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.257 -4.205 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.639 -4.087 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.769 -4.802 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.361 -6.318 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.916 -5.682 5.978 1.00 0.00 H new ATOM 674 N ASP A 42 -0.511 -7.579 0.108 1.00 0.00 N ATOM 675 CA ASP A 42 -1.042 -8.766 -0.557 1.00 0.00 C ATOM 676 C ASP A 42 -1.541 -8.426 -1.957 1.00 0.00 C ATOM 677 O ASP A 42 -1.221 -9.120 -2.920 1.00 0.00 O ATOM 678 CB ASP A 42 -2.173 -9.379 0.276 1.00 0.00 C ATOM 679 CG ASP A 42 -2.734 -10.649 -0.332 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.069 -11.704 -0.238 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.854 -10.605 -0.881 1.00 0.00 O ATOM 0 H ASP A 42 -0.991 -7.337 0.975 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.237 -9.495 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.803 -9.595 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.975 -8.649 0.383 1.00 0.00 H new ATOM 686 N LYS A 43 -2.304 -7.344 -2.062 1.00 0.00 N ATOM 687 CA LYS A 43 -2.822 -6.889 -3.351 1.00 0.00 C ATOM 688 C LYS A 43 -1.685 -6.520 -4.304 1.00 0.00 C ATOM 689 O LYS A 43 -1.714 -6.882 -5.481 1.00 0.00 O ATOM 690 CB LYS A 43 -3.769 -5.699 -3.166 1.00 0.00 C ATOM 691 CG LYS A 43 -5.127 -6.081 -2.592 1.00 0.00 C ATOM 692 CD LYS A 43 -6.023 -4.862 -2.409 1.00 0.00 C ATOM 693 CE LYS A 43 -7.467 -5.257 -2.123 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.608 -6.017 -0.853 1.00 0.00 N ATOM 0 H LYS A 43 -2.579 -6.763 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.382 -7.713 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.298 -4.970 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.916 -5.210 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.615 -6.795 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.990 -6.579 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.644 -4.252 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.986 -4.246 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.083 -4.359 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.845 -5.861 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.101 -6.914 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.666 -6.215 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.156 -5.455 -0.171 1.00 0.00 H new ATOM 708 N ILE A 44 -0.685 -5.808 -3.794 1.00 0.00 N ATOM 709 CA ILE A 44 0.487 -5.456 -4.590 1.00 0.00 C ATOM 710 C ILE A 44 1.235 -6.710 -5.033 1.00 0.00 C ATOM 711 O ILE A 44 1.746 -6.767 -6.142 1.00 0.00 O ATOM 712 CB ILE A 44 1.437 -4.522 -3.810 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.702 -3.241 -3.402 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.662 -4.186 -4.647 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.539 -2.298 -2.567 1.00 0.00 C ATOM 0 H ILE A 44 -0.662 -5.463 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 44 0.135 -4.924 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 44 1.768 -5.038 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.372 -2.720 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.194 -3.510 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.320 -3.527 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.195 -5.103 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.350 -3.687 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.952 -1.415 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.847 -2.800 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.422 -1.999 -3.131 1.00 0.00 H new ATOM 727 N HIS A 45 1.269 -7.723 -4.176 1.00 0.00 N ATOM 728 CA HIS A 45 1.925 -8.987 -4.507 1.00 0.00 C ATOM 729 C HIS A 45 1.185 -9.721 -5.628 1.00 0.00 C ATOM 730 O HIS A 45 1.773 -10.506 -6.373 1.00 0.00 O ATOM 731 CB HIS A 45 2.028 -9.882 -3.271 1.00 0.00 C ATOM 732 CG HIS A 45 2.727 -11.176 -3.539 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.082 -11.265 -3.765 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.246 -12.436 -3.642 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.405 -12.522 -3.998 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.309 -13.256 -3.928 1.00 0.00 N ATOM 0 H HIS A 45 0.851 -7.696 -3.246 1.00 0.00 H new ATOM 0 HA HIS A 45 2.930 -8.754 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.559 -9.345 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.026 -10.089 -2.895 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.734 -10.481 -3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.217 -12.740 -3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.398 -12.889 -4.210 1.00 0.00 H new ATOM 745 N ILE A 46 -0.114 -9.505 -5.710 1.00 0.00 N ATOM 746 CA ILE A 46 -0.917 -10.109 -6.760 1.00 0.00 C ATOM 747 C ILE A 46 -0.623 -9.449 -8.104 1.00 0.00 C ATOM 748 O ILE A 46 -0.499 -10.125 -9.125 1.00 0.00 O ATOM 749 CB ILE A 46 -2.419 -10.008 -6.429 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.704 -10.773 -5.135 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.264 -10.551 -7.576 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.069 -10.496 -4.553 1.00 0.00 C ATOM 0 H ILE A 46 -0.637 -8.916 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.652 -11.164 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.685 -8.960 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.611 -11.842 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.945 -10.515 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.320 -10.470 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.064 -9.975 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.012 -11.597 -7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.198 -11.074 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.160 -9.433 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.836 -10.781 -5.273 1.00 0.00 H new ATOM 764 N VAL A 47 -0.492 -8.130 -8.094 1.00 0.00 N ATOM 765 CA VAL A 47 -0.191 -7.386 -9.310 1.00 0.00 C ATOM 766 C VAL A 47 1.298 -7.476 -9.645 1.00 0.00 C ATOM 767 O VAL A 47 1.679 -7.910 -10.734 1.00 0.00 O ATOM 768 CB VAL A 47 -0.594 -5.899 -9.176 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.304 -5.137 -10.461 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.065 -5.776 -8.798 1.00 0.00 C ATOM 0 H VAL A 47 -0.589 -7.553 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.772 -7.836 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 47 0.005 -5.456 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.597 -4.094 -10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.762 -5.191 -10.684 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.869 -5.579 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.331 -4.723 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.679 -6.241 -9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.239 -6.277 -7.846 1.00 0.00 H new ATOM 780 N GLU A 48 2.125 -7.084 -8.693 1.00 0.00 N ATOM 781 CA GLU A 48 3.568 -7.052 -8.868 1.00 0.00 C ATOM 782 C GLU A 48 4.209 -8.338 -8.358 1.00 0.00 C ATOM 783 O GLU A 48 3.739 -8.934 -7.394 1.00 0.00 O ATOM 784 CB GLU A 48 4.146 -5.843 -8.135 1.00 0.00 C ATOM 785 CG GLU A 48 4.143 -4.576 -8.967 1.00 0.00 C ATOM 786 CD GLU A 48 5.007 -4.695 -10.206 1.00 0.00 C ATOM 787 OE1 GLU A 48 4.516 -5.206 -11.234 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.176 -4.268 -10.166 1.00 0.00 O ATOM 0 H GLU A 48 1.814 -6.777 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 48 3.788 -6.968 -9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.573 -5.672 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.169 -6.067 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.120 -4.341 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.498 -3.744 -8.358 1.00 0.00 H new ATOM 795 N ASN A 49 5.299 -8.743 -8.996 1.00 0.00 N ATOM 796 CA ASN A 49 5.956 -10.013 -8.678 1.00 0.00 C ATOM 797 C ASN A 49 6.802 -9.907 -7.415 1.00 0.00 C ATOM 798 O ASN A 49 7.356 -10.901 -6.942 1.00 0.00 O ATOM 799 CB ASN A 49 6.841 -10.467 -9.843 1.00 0.00 C ATOM 800 CG ASN A 49 6.061 -10.712 -11.121 1.00 0.00 C ATOM 801 OD1 ASN A 49 5.495 -11.786 -11.319 1.00 0.00 O ATOM 802 ND2 ASN A 49 6.057 -9.733 -12.014 1.00 0.00 N ATOM 0 H ASN A 49 5.751 -8.212 -9.740 1.00 0.00 H new ATOM 0 HA ASN A 49 5.170 -10.748 -8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.603 -9.711 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.362 -11.382 -9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.573 -9.856 -12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.538 -8.857 -11.812 1.00 0.00 H new ATOM 809 N THR A 50 6.903 -8.702 -6.880 1.00 0.00 N ATOM 810 CA THR A 50 7.695 -8.447 -5.698 1.00 0.00 C ATOM 811 C THR A 50 7.131 -9.176 -4.476 1.00 0.00 C ATOM 812 O THR A 50 5.940 -9.075 -4.160 1.00 0.00 O ATOM 813 CB THR A 50 7.753 -6.936 -5.415 1.00 0.00 C ATOM 814 OG1 THR A 50 8.025 -6.228 -6.634 1.00 0.00 O ATOM 815 CG2 THR A 50 8.831 -6.613 -4.390 1.00 0.00 C ATOM 0 H THR A 50 6.437 -7.876 -7.256 1.00 0.00 H new ATOM 0 HA THR A 50 8.700 -8.824 -5.886 1.00 0.00 H new ATOM 0 HB THR A 50 6.789 -6.626 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.764 -5.601 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.850 -5.538 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.615 -7.135 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.801 -6.934 -4.769 1.00 0.00 H new ATOM 823 N PRO A 51 7.978 -9.961 -3.803 1.00 0.00 N ATOM 824 CA PRO A 51 7.627 -10.604 -2.537 1.00 0.00 C ATOM 825 C PRO A 51 7.244 -9.574 -1.479 1.00 0.00 C ATOM 826 O PRO A 51 7.835 -8.496 -1.411 1.00 0.00 O ATOM 827 CB PRO A 51 8.904 -11.339 -2.128 1.00 0.00 C ATOM 828 CG PRO A 51 9.704 -11.471 -3.379 1.00 0.00 C ATOM 829 CD PRO A 51 9.338 -10.296 -4.242 1.00 0.00 C ATOM 0 HA PRO A 51 6.767 -11.266 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.452 -10.781 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.676 -12.316 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.772 -11.474 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.481 -12.410 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.024 -9.462 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.367 -10.551 -5.301 1.00 0.00 H new ATOM 837 N ILE A 52 6.276 -9.921 -0.643 1.00 0.00 N ATOM 838 CA ILE A 52 5.717 -8.984 0.325 1.00 0.00 C ATOM 839 C ILE A 52 6.775 -8.461 1.297 1.00 0.00 C ATOM 840 O ILE A 52 6.787 -7.280 1.632 1.00 0.00 O ATOM 841 CB ILE A 52 4.543 -9.628 1.099 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.336 -9.782 0.168 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.171 -8.809 2.330 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.127 -10.417 0.820 1.00 0.00 C ATOM 0 H ILE A 52 5.858 -10.851 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 52 5.340 -8.130 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 52 4.858 -10.612 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.056 -8.799 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.629 -10.384 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.343 -9.290 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.030 -8.744 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.874 -7.806 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.318 -10.489 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.387 -11.415 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.805 -9.805 1.663 1.00 0.00 H new ATOM 856 N LYS A 53 7.683 -9.329 1.720 1.00 0.00 N ATOM 857 CA LYS A 53 8.714 -8.934 2.678 1.00 0.00 C ATOM 858 C LYS A 53 9.846 -8.154 2.012 1.00 0.00 C ATOM 859 O LYS A 53 10.699 -7.586 2.694 1.00 0.00 O ATOM 860 CB LYS A 53 9.286 -10.156 3.394 1.00 0.00 C ATOM 861 CG LYS A 53 8.306 -10.822 4.344 1.00 0.00 C ATOM 862 CD LYS A 53 8.981 -11.908 5.160 1.00 0.00 C ATOM 863 CE LYS A 53 8.014 -12.569 6.129 1.00 0.00 C ATOM 864 NZ LYS A 53 6.891 -13.251 5.430 1.00 0.00 N ATOM 0 H LYS A 53 7.730 -10.303 1.420 1.00 0.00 H new ATOM 0 HA LYS A 53 8.234 -8.280 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.608 -10.884 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.173 -9.857 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.879 -10.074 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.480 -11.251 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.396 -12.661 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.816 -11.480 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.553 -13.294 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.613 -11.817 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.356 -13.826 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.261 -12.539 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.270 -13.866 4.681 1.00 0.00 H new ATOM 878 N ARG A 54 9.860 -8.125 0.686 1.00 0.00 N ATOM 879 CA ARG A 54 10.939 -7.469 -0.045 1.00 0.00 C ATOM 880 C ARG A 54 10.587 -6.022 -0.375 1.00 0.00 C ATOM 881 O ARG A 54 11.465 -5.218 -0.702 1.00 0.00 O ATOM 882 CB ARG A 54 11.277 -8.241 -1.329 1.00 0.00 C ATOM 883 CG ARG A 54 12.273 -9.376 -1.119 1.00 0.00 C ATOM 884 CD ARG A 54 11.705 -10.479 -0.245 1.00 0.00 C ATOM 885 NE ARG A 54 12.729 -11.430 0.182 1.00 0.00 N ATOM 886 CZ ARG A 54 12.501 -12.726 0.394 1.00 0.00 C ATOM 887 NH1 ARG A 54 11.293 -13.234 0.170 1.00 0.00 N ATOM 888 NH2 ARG A 54 13.484 -13.513 0.818 1.00 0.00 N ATOM 0 H ARG A 54 9.142 -8.545 0.096 1.00 0.00 H new ATOM 0 HA ARG A 54 11.817 -7.465 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.358 -8.649 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.682 -7.546 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.559 -9.791 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.180 -8.982 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.233 -10.038 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.926 -11.009 -0.793 1.00 0.00 H new ATOM 0 HE ARG A 54 13.676 -11.081 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.541 -12.632 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.119 -14.226 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.413 -13.125 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.309 -14.505 0.980 1.00 0.00 H new ATOM 902 N MET A 55 9.309 -5.690 -0.269 1.00 0.00 N ATOM 903 CA MET A 55 8.843 -4.348 -0.587 1.00 0.00 C ATOM 904 C MET A 55 8.315 -3.645 0.657 1.00 0.00 C ATOM 905 O MET A 55 7.512 -4.199 1.408 1.00 0.00 O ATOM 906 CB MET A 55 7.766 -4.397 -1.676 1.00 0.00 C ATOM 907 CG MET A 55 6.584 -5.293 -1.344 1.00 0.00 C ATOM 908 SD MET A 55 5.411 -5.414 -2.708 1.00 0.00 S ATOM 909 CE MET A 55 4.216 -6.558 -2.027 1.00 0.00 C ATOM 0 H MET A 55 8.576 -6.331 0.035 1.00 0.00 H new ATOM 0 HA MET A 55 9.691 -3.776 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.401 -3.386 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.220 -4.743 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.946 -6.289 -1.090 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.074 -4.905 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.281 -6.481 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.601 -7.575 -2.104 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.037 -6.316 -0.979 1.00 0.00 H new ATOM 919 N GLN A 56 8.786 -2.427 0.881 1.00 0.00 N ATOM 920 CA GLN A 56 8.346 -1.644 2.022 1.00 0.00 C ATOM 921 C GLN A 56 7.520 -0.450 1.568 1.00 0.00 C ATOM 922 O GLN A 56 7.905 0.275 0.652 1.00 0.00 O ATOM 923 CB GLN A 56 9.544 -1.183 2.854 1.00 0.00 C ATOM 924 CG GLN A 56 10.220 -2.315 3.608 1.00 0.00 C ATOM 925 CD GLN A 56 11.297 -1.830 4.553 1.00 0.00 C ATOM 926 OE1 GLN A 56 11.962 -0.830 4.299 1.00 0.00 O ATOM 927 NE2 GLN A 56 11.471 -2.540 5.652 1.00 0.00 N ATOM 0 H GLN A 56 9.472 -1.961 0.287 1.00 0.00 H new ATOM 0 HA GLN A 56 7.717 -2.277 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.272 -0.707 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.214 -0.427 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.470 -2.868 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.658 -3.011 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.895 -3.365 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.181 -2.264 6.330 1.00 0.00 H new ATOM 936 N LEU A 57 6.383 -0.260 2.214 1.00 0.00 N ATOM 937 CA LEU A 57 5.454 0.796 1.845 1.00 0.00 C ATOM 938 C LEU A 57 5.754 2.058 2.642 1.00 0.00 C ATOM 939 O LEU A 57 5.908 2.004 3.861 1.00 0.00 O ATOM 940 CB LEU A 57 4.017 0.347 2.125 1.00 0.00 C ATOM 941 CG LEU A 57 3.666 -1.070 1.664 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.270 -1.456 2.129 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.773 -1.188 0.151 1.00 0.00 C ATOM 0 H LEU A 57 6.078 -0.829 3.004 1.00 0.00 H new ATOM 0 HA LEU A 57 5.567 1.007 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.836 0.416 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.336 1.047 1.641 1.00 0.00 H new ATOM 0 HG LEU A 57 4.382 -1.758 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.040 -2.466 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.226 -1.419 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.542 -0.760 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.519 -2.203 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.084 -0.485 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.792 -0.960 -0.161 1.00 0.00 H new ATOM 955 N TYR A 58 5.854 3.186 1.962 1.00 0.00 N ATOM 956 CA TYR A 58 6.072 4.456 2.635 1.00 0.00 C ATOM 957 C TYR A 58 5.027 5.479 2.213 1.00 0.00 C ATOM 958 O TYR A 58 4.721 5.618 1.028 1.00 0.00 O ATOM 959 CB TYR A 58 7.477 4.990 2.346 1.00 0.00 C ATOM 960 CG TYR A 58 8.578 4.223 3.047 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.122 3.074 2.487 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.070 4.650 4.275 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.128 2.375 3.126 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.075 3.958 4.920 1.00 0.00 C ATOM 965 CZ TYR A 58 10.599 2.819 4.342 1.00 0.00 C ATOM 966 OH TYR A 58 11.601 2.125 4.980 1.00 0.00 O ATOM 0 H TYR A 58 5.788 3.250 0.946 1.00 0.00 H new ATOM 0 HA TYR A 58 5.978 4.286 3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.653 4.959 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.527 6.036 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.752 2.721 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.659 5.538 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.543 1.486 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.449 4.306 5.872 1.00 0.00 H new ATOM 0 HH TYR A 58 11.238 1.685 5.777 1.00 0.00 H new ATOM 976 N TYR A 59 4.470 6.176 3.188 1.00 0.00 N ATOM 977 CA TYR A 59 3.482 7.207 2.922 1.00 0.00 C ATOM 978 C TYR A 59 3.793 8.457 3.731 1.00 0.00 C ATOM 979 O TYR A 59 3.741 8.437 4.960 1.00 0.00 O ATOM 980 CB TYR A 59 2.075 6.700 3.251 1.00 0.00 C ATOM 981 CG TYR A 59 1.006 7.769 3.154 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.854 8.522 1.997 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.151 8.021 4.219 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.114 9.502 1.907 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.822 8.999 4.135 1.00 0.00 C ATOM 986 CZ TYR A 59 -0.952 9.735 2.976 1.00 0.00 C ATOM 987 OH TYR A 59 -1.921 10.712 2.886 1.00 0.00 O ATOM 0 H TYR A 59 4.687 6.046 4.176 1.00 0.00 H new ATOM 0 HA TYR A 59 3.521 7.457 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.824 5.885 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.073 6.287 4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.504 8.338 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.248 7.444 5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.214 10.084 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.477 9.186 4.973 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.427 10.749 3.724 1.00 0.00 H new ATOM 997 N SER A 60 4.154 9.529 3.028 1.00 0.00 N ATOM 998 CA SER A 60 4.452 10.818 3.652 1.00 0.00 C ATOM 999 C SER A 60 5.663 10.703 4.587 1.00 0.00 C ATOM 1000 O SER A 60 5.885 11.547 5.453 1.00 0.00 O ATOM 1001 CB SER A 60 3.219 11.333 4.412 1.00 0.00 C ATOM 1002 OG SER A 60 3.353 12.702 4.763 1.00 0.00 O ATOM 0 H SER A 60 4.248 9.529 2.012 1.00 0.00 H new ATOM 0 HA SER A 60 4.702 11.535 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.330 11.201 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.073 10.739 5.314 1.00 0.00 H new ATOM 0 HG SER A 60 4.267 12.872 5.073 1.00 0.00 H new ATOM 1008 N GLY A 61 6.459 9.659 4.387 1.00 0.00 N ATOM 1009 CA GLY A 61 7.615 9.433 5.230 1.00 0.00 C ATOM 1010 C GLY A 61 7.354 8.378 6.287 1.00 0.00 C ATOM 1011 O GLY A 61 8.271 7.931 6.974 1.00 0.00 O ATOM 0 H GLY A 61 6.323 8.964 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.459 9.125 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.898 10.368 5.714 1.00 0.00 H new ATOM 1015 N ILE A 62 6.098 7.977 6.415 1.00 0.00 N ATOM 1016 CA ILE A 62 5.713 6.962 7.382 1.00 0.00 C ATOM 1017 C ILE A 62 5.919 5.571 6.792 1.00 0.00 C ATOM 1018 O ILE A 62 5.465 5.283 5.685 1.00 0.00 O ATOM 1019 CB ILE A 62 4.240 7.118 7.819 1.00 0.00 C ATOM 1020 CG1 ILE A 62 3.991 8.530 8.358 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.885 6.077 8.873 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.542 8.804 8.700 1.00 0.00 C ATOM 0 H ILE A 62 5.325 8.342 5.858 1.00 0.00 H new ATOM 0 HA ILE A 62 6.346 7.091 8.260 1.00 0.00 H new ATOM 0 HB ILE A 62 3.602 6.961 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.600 8.682 9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.324 9.256 7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.844 6.201 9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.029 5.078 8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.528 6.206 9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.443 9.823 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.929 8.685 7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.210 8.102 9.465 1.00 0.00 H new ATOM 1034 N GLU A 63 6.620 4.726 7.531 1.00 0.00 N ATOM 1035 CA GLU A 63 6.904 3.371 7.089 1.00 0.00 C ATOM 1036 C GLU A 63 5.745 2.440 7.433 1.00 0.00 C ATOM 1037 O GLU A 63 5.493 2.156 8.607 1.00 0.00 O ATOM 1038 CB GLU A 63 8.192 2.878 7.742 1.00 0.00 C ATOM 1039 CG GLU A 63 8.613 1.484 7.312 1.00 0.00 C ATOM 1040 CD GLU A 63 9.874 1.037 8.012 1.00 0.00 C ATOM 1041 OE1 GLU A 63 9.778 0.575 9.166 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.966 1.172 7.422 1.00 0.00 O ATOM 0 H GLU A 63 7.005 4.958 8.447 1.00 0.00 H new ATOM 0 HA GLU A 63 7.029 3.372 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.995 3.577 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.065 2.889 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.809 0.780 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.771 1.469 6.234 1.00 0.00 H new ATOM 1049 N LEU A 64 5.053 1.969 6.408 1.00 0.00 N ATOM 1050 CA LEU A 64 3.906 1.092 6.587 1.00 0.00 C ATOM 1051 C LEU A 64 4.369 -0.356 6.656 1.00 0.00 C ATOM 1052 O LEU A 64 4.282 -1.099 5.676 1.00 0.00 O ATOM 1053 CB LEU A 64 2.916 1.252 5.428 1.00 0.00 C ATOM 1054 CG LEU A 64 2.640 2.690 4.981 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.731 2.693 3.762 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.025 3.502 6.112 1.00 0.00 C ATOM 0 H LEU A 64 5.268 2.182 5.434 1.00 0.00 H new ATOM 0 HA LEU A 64 3.408 1.365 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.294 0.692 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.970 0.794 5.717 1.00 0.00 H new ATOM 0 HG LEU A 64 3.588 3.156 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.541 3.721 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.213 2.152 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.787 2.209 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.838 4.520 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.085 3.044 6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.711 3.524 6.959 1.00 0.00 H new ATOM 1068 N ALA A 65 4.893 -0.746 7.803 1.00 0.00 N ATOM 1069 CA ALA A 65 5.411 -2.093 7.974 1.00 0.00 C ATOM 1070 C ALA A 65 4.462 -2.953 8.798 1.00 0.00 C ATOM 1071 O ALA A 65 4.320 -4.147 8.538 1.00 0.00 O ATOM 1072 CB ALA A 65 6.790 -2.053 8.620 1.00 0.00 C ATOM 0 H ALA A 65 4.972 -0.152 8.629 1.00 0.00 H new ATOM 0 HA ALA A 65 5.498 -2.546 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.165 -3.069 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.473 -1.488 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.721 -1.573 9.596 1.00 0.00 H new ATOM 1078 N ASP A 66 3.798 -2.335 9.771 1.00 0.00 N ATOM 1079 CA ASP A 66 2.933 -3.065 10.697 1.00 0.00 C ATOM 1080 C ASP A 66 1.704 -3.618 9.993 1.00 0.00 C ATOM 1081 O ASP A 66 0.805 -2.878 9.598 1.00 0.00 O ATOM 1082 CB ASP A 66 2.523 -2.179 11.873 1.00 0.00 C ATOM 1083 CG ASP A 66 3.692 -1.865 12.781 1.00 0.00 C ATOM 1084 OD1 ASP A 66 4.041 -2.719 13.623 1.00 0.00 O ATOM 1085 OD2 ASP A 66 4.278 -0.775 12.647 1.00 0.00 O ATOM 0 H ASP A 66 3.842 -1.330 9.940 1.00 0.00 H new ATOM 0 HA ASP A 66 3.505 -3.909 11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.097 -1.249 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.742 -2.677 12.447 1.00 0.00 H new ATOM 1090 N ASP A 67 1.674 -4.936 9.864 1.00 0.00 N ATOM 1091 CA ASP A 67 0.645 -5.636 9.101 1.00 0.00 C ATOM 1092 C ASP A 67 -0.738 -5.500 9.726 1.00 0.00 C ATOM 1093 O ASP A 67 -1.746 -5.493 9.020 1.00 0.00 O ATOM 1094 CB ASP A 67 1.015 -7.114 8.986 1.00 0.00 C ATOM 1095 CG ASP A 67 2.275 -7.326 8.175 1.00 0.00 C ATOM 1096 OD1 ASP A 67 2.196 -7.297 6.928 1.00 0.00 O ATOM 1097 OD2 ASP A 67 3.353 -7.503 8.779 1.00 0.00 O ATOM 0 H ASP A 67 2.365 -5.555 10.287 1.00 0.00 H new ATOM 0 HA ASP A 67 0.600 -5.177 8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.152 -7.531 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.191 -7.658 8.524 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.777 -5.376 11.044 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.037 -5.357 11.783 1.00 0.00 C ATOM 1104 C TYR A 68 -2.691 -3.976 11.772 1.00 0.00 C ATOM 1105 O TYR A 68 -3.768 -3.791 12.340 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.803 -5.817 13.226 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.662 -5.096 13.914 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.871 -3.895 14.581 1.00 0.00 C ATOM 1109 CD2 TYR A 68 0.629 -5.612 13.880 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.172 -3.231 15.196 1.00 0.00 C ATOM 1111 CE2 TYR A 68 1.675 -4.956 14.495 1.00 0.00 C ATOM 1112 CZ TYR A 68 1.443 -3.765 15.149 1.00 0.00 C ATOM 1113 OH TYR A 68 2.489 -3.100 15.749 1.00 0.00 O ATOM 0 H TYR A 68 0.053 -5.286 11.630 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.720 -6.044 11.284 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.717 -5.665 13.800 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.600 -6.888 13.229 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.865 -3.474 14.619 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.816 -6.542 13.363 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.006 -2.299 15.711 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.671 -5.373 14.464 1.00 0.00 H new ATOM 0 HH TYR A 68 3.228 -3.009 15.112 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.048 -3.011 11.127 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.582 -1.658 11.040 1.00 0.00 C ATOM 1125 C ARG A 69 -3.473 -1.505 9.813 1.00 0.00 C ATOM 1126 O ARG A 69 -3.435 -2.333 8.904 1.00 0.00 O ATOM 1127 CB ARG A 69 -1.441 -0.641 10.983 1.00 0.00 C ATOM 1128 CG ARG A 69 -0.772 -0.374 12.324 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.494 0.714 13.106 1.00 0.00 C ATOM 1130 NE ARG A 69 -2.827 0.306 13.548 1.00 0.00 N ATOM 1131 CZ ARG A 69 -3.703 1.128 14.132 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -3.427 2.422 14.265 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -4.864 0.659 14.559 1.00 0.00 N ATOM 0 H ARG A 69 -1.153 -3.141 10.655 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.183 -1.472 11.930 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.688 -0.996 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.827 0.299 10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.753 -1.292 12.911 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.264 -0.078 12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.896 0.988 13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.579 1.605 12.485 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.104 -0.665 13.402 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.542 2.793 13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.101 3.044 14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.089 -0.329 14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.534 1.285 15.005 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.273 -0.449 9.797 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.136 -0.157 8.659 1.00 0.00 C ATOM 1149 C ASN A 70 -4.646 1.103 7.957 1.00 0.00 C ATOM 1150 O ASN A 70 -3.992 1.943 8.571 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.593 0.018 9.106 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.163 -1.222 9.769 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.013 -1.422 10.977 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -7.841 -2.052 8.995 1.00 0.00 N ATOM 0 H ASN A 70 -4.343 0.223 10.561 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.095 -0.997 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.656 0.856 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.204 0.274 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.262 -2.892 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.944 -1.853 8.000 1.00 0.00 H new ATOM 1161 N LEU A 71 -4.966 1.233 6.676 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.476 2.347 5.866 1.00 0.00 C ATOM 1163 C LEU A 71 -4.948 3.700 6.395 1.00 0.00 C ATOM 1164 O LEU A 71 -4.143 4.611 6.593 1.00 0.00 O ATOM 1165 CB LEU A 71 -4.919 2.181 4.413 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.435 0.902 3.730 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.864 0.885 2.272 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -2.924 0.770 3.849 1.00 0.00 C ATOM 0 H LEU A 71 -5.565 0.579 6.172 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.388 2.329 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.008 2.204 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.563 3.037 3.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.891 0.048 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.512 -0.032 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.951 0.929 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.437 1.746 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.599 -0.147 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.445 1.626 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.644 0.735 4.902 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.251 3.828 6.627 1.00 0.00 N ATOM 1181 CA ASN A 72 -6.832 5.096 7.069 1.00 0.00 C ATOM 1182 C ASN A 72 -6.230 5.559 8.396 1.00 0.00 C ATOM 1183 O ASN A 72 -6.201 6.755 8.679 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.362 5.015 7.173 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.845 4.203 8.358 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.093 2.923 8.140 1.00 0.00 O flip ATOM 1187 ND2 ASN A 72 -9.014 4.730 9.456 1.00 0.00 N flip ATOM 0 H ASN A 72 -6.926 3.071 6.517 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.585 5.836 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.767 6.024 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.758 4.577 6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.811 5.721 9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.358 4.176 10.240 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.756 4.613 9.206 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.125 4.938 10.485 1.00 0.00 C ATOM 1196 C GLU A 73 -3.923 5.859 10.276 1.00 0.00 C ATOM 1197 O GLU A 73 -3.650 6.738 11.093 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.663 3.664 11.197 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.762 2.638 11.415 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.836 3.103 12.374 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.509 3.434 13.532 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -8.019 3.121 11.982 1.00 0.00 O ATOM 0 H GLU A 73 -5.797 3.615 8.999 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.866 5.448 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.864 3.205 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.238 3.935 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.221 2.398 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.319 1.717 11.795 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.216 5.660 9.167 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.041 6.467 8.846 1.00 0.00 C ATOM 1211 C TYR A 74 -2.445 7.765 8.151 1.00 0.00 C ATOM 1212 O TYR A 74 -1.592 8.555 7.742 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.083 5.687 7.945 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.437 4.487 8.603 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.608 4.647 9.506 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -0.854 3.194 8.305 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.219 3.556 10.093 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.250 2.097 8.892 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.787 2.284 9.784 1.00 0.00 C ATOM 1220 OH TYR A 74 1.397 1.195 10.365 1.00 0.00 O ATOM 0 H TYR A 74 -3.437 4.945 8.474 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.539 6.708 9.783 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.627 5.352 7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.299 6.361 7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.948 5.642 9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.662 3.044 7.604 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.031 3.699 10.791 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.588 1.099 8.654 1.00 0.00 H new ATOM 0 HH TYR A 74 0.974 0.372 10.042 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.746 7.975 8.010 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.237 9.179 7.373 1.00 0.00 C ATOM 1232 C GLY A 75 -4.511 8.986 5.895 1.00 0.00 C ATOM 1233 O GLY A 75 -4.740 9.952 5.169 1.00 0.00 O ATOM 0 H GLY A 75 -4.471 7.331 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.152 9.501 7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.507 9.978 7.502 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.482 7.739 5.443 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.759 7.434 4.050 1.00 0.00 C ATOM 1239 C ILE A 76 -6.247 7.594 3.759 1.00 0.00 C ATOM 1240 O ILE A 76 -7.079 6.820 4.239 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.280 6.014 3.678 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.756 5.932 3.826 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -4.711 5.651 2.262 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.171 4.574 3.504 1.00 0.00 C ATOM 0 H ILE A 76 -4.270 6.926 6.021 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.204 8.141 3.434 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.739 5.295 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.299 6.676 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.487 6.197 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.363 4.647 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.798 5.684 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.281 6.362 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.089 4.604 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.597 3.826 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.405 4.312 2.472 1.00 0.00 H new ATOM 1256 N THR A 77 -6.570 8.632 3.003 1.00 0.00 N ATOM 1257 CA THR A 77 -7.951 8.949 2.673 1.00 0.00 C ATOM 1258 C THR A 77 -8.257 8.624 1.215 1.00 0.00 C ATOM 1259 O THR A 77 -9.241 7.950 0.917 1.00 0.00 O ATOM 1260 CB THR A 77 -8.263 10.440 2.968 1.00 0.00 C ATOM 1261 OG1 THR A 77 -9.582 10.780 2.518 1.00 0.00 O ATOM 1262 CG2 THR A 77 -7.240 11.373 2.327 1.00 0.00 C ATOM 0 H THR A 77 -5.887 9.275 2.603 1.00 0.00 H new ATOM 0 HA THR A 77 -8.590 8.330 3.303 1.00 0.00 H new ATOM 0 HB THR A 77 -8.207 10.571 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.761 11.723 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.496 12.407 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.248 11.148 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.245 11.231 1.246 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.400 9.105 0.321 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.552 8.899 -1.116 1.00 0.00 C ATOM 1272 C GLU A 78 -6.419 9.603 -1.862 1.00 0.00 C ATOM 1273 O GLU A 78 -5.905 10.618 -1.390 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.902 9.440 -1.594 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.200 9.139 -3.049 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.502 9.750 -3.502 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.623 10.989 -3.471 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.411 8.997 -3.900 1.00 0.00 O ATOM 0 H GLU A 78 -6.576 9.651 0.573 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.511 7.829 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.693 9.016 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.924 10.519 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.388 9.517 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.237 8.059 -3.195 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.024 9.040 -3.012 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.964 9.607 -3.857 1.00 0.00 C ATOM 1287 C PHE A 79 -3.641 9.718 -3.108 1.00 0.00 C ATOM 1288 O PHE A 79 -2.773 10.514 -3.468 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.372 10.971 -4.418 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.330 10.874 -5.572 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.876 10.517 -6.831 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.678 11.133 -5.400 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -6.750 10.421 -7.896 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.557 11.038 -6.462 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.091 10.682 -7.711 1.00 0.00 C ATOM 0 H PHE A 79 -6.429 8.180 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.821 8.919 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.829 11.561 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.479 11.506 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.826 10.311 -6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.048 11.413 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.383 10.142 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.607 11.242 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.776 10.608 -8.543 1.00 0.00 H new ATOM 1305 N SER A 80 -3.489 8.899 -2.084 1.00 0.00 N ATOM 1306 CA SER A 80 -2.266 8.857 -1.314 1.00 0.00 C ATOM 1307 C SER A 80 -1.144 8.235 -2.139 1.00 0.00 C ATOM 1308 O SER A 80 -1.331 7.182 -2.759 1.00 0.00 O ATOM 1309 CB SER A 80 -2.503 8.057 -0.034 1.00 0.00 C ATOM 1310 OG SER A 80 -3.201 6.857 -0.319 1.00 0.00 O ATOM 0 H SER A 80 -4.207 8.248 -1.766 1.00 0.00 H new ATOM 0 HA SER A 80 -1.968 9.871 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.549 7.826 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.073 8.656 0.676 1.00 0.00 H new ATOM 0 HG SER A 80 -2.885 6.489 -1.170 1.00 0.00 H new ATOM 1316 N GLU A 81 0.005 8.888 -2.164 1.00 0.00 N ATOM 1317 CA GLU A 81 1.138 8.382 -2.914 1.00 0.00 C ATOM 1318 C GLU A 81 1.923 7.398 -2.064 1.00 0.00 C ATOM 1319 O GLU A 81 2.561 7.781 -1.083 1.00 0.00 O ATOM 1320 CB GLU A 81 2.041 9.527 -3.375 1.00 0.00 C ATOM 1321 CG GLU A 81 3.203 9.068 -4.242 1.00 0.00 C ATOM 1322 CD GLU A 81 4.093 10.209 -4.681 1.00 0.00 C ATOM 1323 OE1 GLU A 81 5.024 10.567 -3.931 1.00 0.00 O ATOM 1324 OE2 GLU A 81 3.878 10.749 -5.785 1.00 0.00 O ATOM 0 H GLU A 81 0.176 9.767 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 81 0.766 7.868 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.444 10.249 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.433 10.046 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.798 8.341 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.814 8.557 -5.123 1.00 0.00 H new ATOM 1331 N ILE A 82 1.849 6.132 -2.427 1.00 0.00 N ATOM 1332 CA ILE A 82 2.538 5.091 -1.695 1.00 0.00 C ATOM 1333 C ILE A 82 3.868 4.790 -2.358 1.00 0.00 C ATOM 1334 O ILE A 82 3.920 4.227 -3.453 1.00 0.00 O ATOM 1335 CB ILE A 82 1.702 3.799 -1.612 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.298 4.100 -1.075 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.401 2.766 -0.736 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.287 4.827 0.253 1.00 0.00 C ATOM 0 H ILE A 82 1.315 5.800 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 82 2.699 5.453 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 82 1.604 3.387 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.240 4.699 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.247 3.162 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.796 1.860 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.377 2.529 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.530 3.169 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.743 5.002 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.794 4.221 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.802 5.782 0.149 1.00 0.00 H new ATOM 1350 N VAL A 83 4.934 5.184 -1.698 1.00 0.00 N ATOM 1351 CA VAL A 83 6.270 4.996 -2.229 1.00 0.00 C ATOM 1352 C VAL A 83 6.824 3.660 -1.761 1.00 0.00 C ATOM 1353 O VAL A 83 7.168 3.490 -0.592 1.00 0.00 O ATOM 1354 CB VAL A 83 7.223 6.134 -1.802 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.562 6.003 -2.508 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.597 7.491 -2.082 1.00 0.00 C ATOM 0 H VAL A 83 4.903 5.640 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 83 6.201 5.010 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 83 7.394 6.053 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.220 6.814 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.017 5.046 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.411 6.055 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.284 8.279 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.392 7.584 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.665 7.584 -1.524 1.00 0.00 H new ATOM 1366 N VAL A 84 6.874 2.705 -2.671 1.00 0.00 N ATOM 1367 CA VAL A 84 7.335 1.372 -2.347 1.00 0.00 C ATOM 1368 C VAL A 84 8.845 1.273 -2.523 1.00 0.00 C ATOM 1369 O VAL A 84 9.353 1.230 -3.646 1.00 0.00 O ATOM 1370 CB VAL A 84 6.639 0.308 -3.223 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.077 -1.092 -2.824 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.129 0.444 -3.126 1.00 0.00 C ATOM 0 H VAL A 84 6.599 2.831 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 84 7.080 1.180 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 84 6.935 0.473 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.573 -1.824 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.156 -1.185 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.816 -1.271 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.655 -0.314 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.817 0.309 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.830 1.435 -3.468 1.00 0.00 H new ATOM 1382 N PHE A 85 9.558 1.255 -1.409 1.00 0.00 N ATOM 1383 CA PHE A 85 11.002 1.123 -1.432 1.00 0.00 C ATOM 1384 C PHE A 85 11.396 -0.342 -1.350 1.00 0.00 C ATOM 1385 O PHE A 85 11.167 -1.006 -0.337 1.00 0.00 O ATOM 1386 CB PHE A 85 11.638 1.907 -0.285 1.00 0.00 C ATOM 1387 CG PHE A 85 11.823 3.371 -0.583 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.741 3.780 -1.537 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.094 4.336 0.095 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.927 5.122 -1.811 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.276 5.680 -0.175 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.192 6.073 -1.130 1.00 0.00 C ATOM 0 H PHE A 85 9.156 1.331 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 85 11.369 1.536 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.016 1.802 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.607 1.468 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.318 3.041 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.376 4.034 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.646 5.427 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.702 6.421 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.334 7.122 -1.344 1.00 0.00 H new ATOM 1402 N LEU A 86 11.970 -0.844 -2.428 1.00 0.00 N ATOM 1403 CA LEU A 86 12.392 -2.230 -2.485 1.00 0.00 C ATOM 1404 C LEU A 86 13.743 -2.394 -1.814 1.00 0.00 C ATOM 1405 O LEU A 86 14.717 -1.743 -2.189 1.00 0.00 O ATOM 1406 CB LEU A 86 12.459 -2.715 -3.937 1.00 0.00 C ATOM 1407 CG LEU A 86 11.166 -2.545 -4.733 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.258 -3.271 -6.063 1.00 0.00 C ATOM 1409 CD2 LEU A 86 9.981 -3.047 -3.930 1.00 0.00 C ATOM 0 H LEU A 86 12.155 -0.310 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 86 11.658 -2.836 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.257 -2.176 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.734 -3.770 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 86 11.021 -1.484 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.328 -3.138 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.086 -2.864 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.427 -4.333 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.068 -2.919 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.119 -4.103 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.904 -2.480 -3.002 1.00 0.00 H new ATOM 1421 N LYS A 87 13.794 -3.249 -0.809 1.00 0.00 N ATOM 1422 CA LYS A 87 15.039 -3.514 -0.108 1.00 0.00 C ATOM 1423 C LYS A 87 15.663 -4.798 -0.635 1.00 0.00 C ATOM 1424 O LYS A 87 16.803 -5.137 -0.312 1.00 0.00 O ATOM 1425 CB LYS A 87 14.794 -3.600 1.401 1.00 0.00 C ATOM 1426 CG LYS A 87 14.147 -2.349 1.976 1.00 0.00 C ATOM 1427 CD LYS A 87 14.927 -1.098 1.594 1.00 0.00 C ATOM 1428 CE LYS A 87 14.252 0.171 2.090 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.268 0.272 3.574 1.00 0.00 N ATOM 0 H LYS A 87 12.990 -3.771 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 87 15.733 -2.693 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.157 -4.459 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.743 -3.776 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.123 -2.267 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.094 -2.430 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.933 -1.158 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.031 -1.053 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.755 1.039 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.221 0.194 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.608 1.214 3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.306 0.127 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.901 -0.455 3.965 1.00 0.00 H new