USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 477 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 151 SER OG : rot -123:sc= -0.188 USER MOD Set 1.2: A 174 THR OG1 : rot 180:sc= 0.776 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 120 SER OG : rot 72:sc= 1.15 USER MOD Single : A 121 LYS NZ :NH3+ 168:sc= -0.0214 (180deg=-0.177) USER MOD Single : A 122 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.048) USER MOD Single : A 124 MET CE :methyl 156:sc= 0 (180deg=-0.631) USER MOD Single : A 126 LYS NZ :NH3+ 151:sc= -2.1! (180deg=-4.11!) USER MOD Single : A 131 THR OG1 : rot -41:sc= 0.19 USER MOD Single : A 132 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.8) USER MOD Single : A 133 TYR OH : rot 71:sc= -5.3! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -111:sc= -10.8! (180deg=-12.3!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 170:sc= -2.96! USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 154 MET CE :methyl 162:sc= -0.997 (180deg=-1.57!) USER MOD Single : A 179 HIS : no HD1:sc= -0.815 X(o=-0.81,f=-1.1) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 185 ASN : amide:sc= -4.23! K(o=-4.2!,f=-1.3) USER MOD Single : A 186 MET CE :methyl 150:sc= -0.378 (180deg=-1.48!) USER MOD Single : A 188 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 ASN : amide:sc= -3.7! C(o=-3.7!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.188 8.491 -8.164 1.00 0.27 N ATOM 468 CA THR A 118 4.257 9.433 -8.056 1.00 0.26 C ATOM 469 C THR A 118 3.981 10.334 -6.881 1.00 0.25 C ATOM 470 O THR A 118 3.211 11.290 -6.974 1.00 0.32 O ATOM 471 CB THR A 118 4.400 10.242 -9.347 1.00 0.30 C ATOM 472 OG1 THR A 118 4.879 9.401 -10.407 1.00 0.32 O ATOM 473 CG2 THR A 118 5.298 11.469 -9.192 1.00 0.32 C ATOM 0 HA THR A 118 5.199 8.907 -7.900 1.00 0.26 H new ATOM 0 HB THR A 118 3.407 10.616 -9.595 1.00 0.30 H new ATOM 0 HG1 THR A 118 4.965 9.928 -11.229 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.358 11.999 -10.143 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.881 12.131 -8.433 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.296 11.153 -8.889 1.00 0.32 H new ATOM 481 N ILE A 119 4.561 9.981 -5.759 1.00 0.19 N ATOM 482 CA ILE A 119 4.290 10.667 -4.540 1.00 0.18 C ATOM 483 C ILE A 119 5.562 11.157 -3.889 1.00 0.19 C ATOM 484 O ILE A 119 6.658 10.705 -4.176 1.00 0.20 O ATOM 485 CB ILE A 119 3.661 9.737 -3.534 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.721 8.833 -3.005 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.561 8.921 -4.098 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.345 8.316 -1.700 1.00 0.17 C ATOM 0 H ILE A 119 5.228 9.214 -5.676 1.00 0.19 H new ATOM 0 HA ILE A 119 3.631 11.496 -4.800 1.00 0.18 H new ATOM 0 HB ILE A 119 3.223 10.351 -2.747 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.881 8.007 -3.698 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.664 9.374 -2.930 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.153 8.274 -3.321 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.776 9.578 -4.473 1.00 0.19 H new ATOM 0 HG23 ILE A 119 2.944 8.310 -4.915 1.00 0.19 H new ATOM 0 HD11 ILE A 119 5.131 7.658 -1.329 1.00 0.17 H new ATOM 0 HD12 ILE A 119 4.208 9.145 -1.006 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.413 7.757 -1.785 1.00 0.17 H new ATOM 500 N SER A 120 5.357 11.931 -2.886 1.00 0.21 N ATOM 501 CA SER A 120 6.431 12.595 -2.191 1.00 0.28 C ATOM 502 C SER A 120 6.560 11.989 -0.806 1.00 0.28 C ATOM 503 O SER A 120 5.670 11.252 -0.376 1.00 0.25 O ATOM 504 CB SER A 120 6.149 14.094 -2.097 1.00 0.36 C ATOM 505 OG SER A 120 5.697 14.604 -3.342 1.00 1.29 O ATOM 0 H SER A 120 4.431 12.133 -2.509 1.00 0.21 H new ATOM 0 HA SER A 120 7.366 12.461 -2.736 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.398 14.279 -1.329 1.00 0.36 H new ATOM 0 HB3 SER A 120 7.054 14.620 -1.791 1.00 0.36 H new ATOM 0 HG SER A 120 4.783 14.293 -3.511 1.00 1.29 H new ATOM 511 N LYS A 121 7.645 12.283 -0.114 1.00 0.35 N ATOM 512 CA LYS A 121 7.855 11.745 1.231 1.00 0.40 C ATOM 513 C LYS A 121 6.639 12.008 2.130 1.00 0.36 C ATOM 514 O LYS A 121 6.152 11.110 2.818 1.00 0.38 O ATOM 515 CB LYS A 121 9.118 12.343 1.853 1.00 0.50 C ATOM 516 CG LYS A 121 9.503 11.710 3.181 1.00 1.34 C ATOM 517 CD LYS A 121 10.777 12.318 3.750 1.00 1.71 C ATOM 518 CE LYS A 121 10.608 13.798 4.058 1.00 2.46 C ATOM 519 NZ LYS A 121 9.563 14.039 5.087 1.00 3.26 N ATOM 0 H LYS A 121 8.394 12.887 -0.452 1.00 0.35 H new ATOM 0 HA LYS A 121 7.983 10.666 1.146 1.00 0.40 H new ATOM 0 HB2 LYS A 121 9.946 12.230 1.153 1.00 0.50 H new ATOM 0 HB3 LYS A 121 8.969 13.413 2.000 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.689 11.839 3.894 1.00 1.34 H new ATOM 0 HG3 LYS A 121 9.641 10.637 3.046 1.00 1.34 H new ATOM 0 HD2 LYS A 121 11.058 11.787 4.660 1.00 1.71 H new ATOM 0 HD3 LYS A 121 11.592 12.186 3.039 1.00 1.71 H new ATOM 0 HE2 LYS A 121 11.558 14.207 4.404 1.00 2.46 H new ATOM 0 HE3 LYS A 121 10.346 14.330 3.144 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 9.619 15.025 5.414 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 8.624 13.863 4.676 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 9.714 13.398 5.892 1.00 3.26 H new ATOM 533 N ASN A 122 6.132 13.232 2.093 1.00 0.37 N ATOM 534 CA ASN A 122 4.983 13.611 2.900 1.00 0.37 C ATOM 535 C ASN A 122 3.702 13.216 2.209 1.00 0.30 C ATOM 536 O ASN A 122 2.649 13.123 2.839 1.00 0.29 O ATOM 537 CB ASN A 122 4.990 15.114 3.174 1.00 0.48 C ATOM 538 CG ASN A 122 3.918 15.544 4.158 1.00 1.22 C ATOM 539 OD1 ASN A 122 2.796 15.864 3.768 1.00 2.17 O ATOM 540 ND2 ASN A 122 4.260 15.570 5.437 1.00 1.64 N ATOM 0 H ASN A 122 6.501 13.983 1.509 1.00 0.37 H new ATOM 0 HA ASN A 122 5.046 13.084 3.852 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.967 15.402 3.561 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.849 15.649 2.235 1.00 0.48 H new ATOM 0 HD21 ASN A 122 3.582 15.863 6.140 1.00 1.64 H new ATOM 0 HD22 ASN A 122 5.201 15.297 5.719 1.00 1.64 H new ATOM 547 N GLU A 123 3.784 12.961 0.912 1.00 0.27 N ATOM 548 CA GLU A 123 2.617 12.607 0.170 1.00 0.25 C ATOM 549 C GLU A 123 2.083 11.291 0.617 1.00 0.21 C ATOM 550 O GLU A 123 0.920 11.021 0.488 1.00 0.26 O ATOM 551 CB GLU A 123 2.862 12.591 -1.306 1.00 0.27 C ATOM 552 CG GLU A 123 2.040 13.619 -2.023 1.00 0.30 C ATOM 553 CD GLU A 123 2.099 13.479 -3.526 1.00 0.37 C ATOM 554 OE1 GLU A 123 3.169 13.756 -4.108 1.00 0.45 O ATOM 555 OE2 GLU A 123 1.077 13.092 -4.132 1.00 0.50 O ATOM 0 H GLU A 123 4.646 12.996 0.368 1.00 0.27 H new ATOM 0 HA GLU A 123 1.874 13.379 0.369 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.919 12.773 -1.500 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.631 11.602 -1.701 1.00 0.27 H new ATOM 0 HG2 GLU A 123 1.003 13.539 -1.697 1.00 0.30 H new ATOM 0 HG3 GLU A 123 2.387 14.614 -1.742 1.00 0.30 H new ATOM 562 N MET A 124 2.912 10.470 1.160 1.00 0.19 N ATOM 563 CA MET A 124 2.403 9.221 1.651 1.00 0.20 C ATOM 564 C MET A 124 1.959 9.380 3.076 1.00 0.17 C ATOM 565 O MET A 124 1.098 8.657 3.556 1.00 0.16 O ATOM 566 CB MET A 124 3.388 8.086 1.513 1.00 0.27 C ATOM 567 CG MET A 124 2.701 6.742 1.333 1.00 1.21 C ATOM 568 SD MET A 124 1.693 6.662 -0.159 1.00 2.28 S ATOM 569 CE MET A 124 1.058 4.991 -0.049 1.00 3.06 C ATOM 0 H MET A 124 3.913 10.624 1.277 1.00 0.19 H new ATOM 0 HA MET A 124 1.548 8.952 1.031 1.00 0.20 H new ATOM 0 HB2 MET A 124 4.039 8.275 0.660 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.024 8.051 2.398 1.00 0.27 H new ATOM 0 HG2 MET A 124 3.455 5.956 1.298 1.00 1.21 H new ATOM 0 HG3 MET A 124 2.073 6.542 2.201 1.00 1.21 H new ATOM 0 HE1 MET A 124 0.129 4.917 -0.614 1.00 3.06 H new ATOM 0 HE2 MET A 124 1.789 4.296 -0.461 1.00 3.06 H new ATOM 0 HE3 MET A 124 0.869 4.742 0.995 1.00 3.06 H new ATOM 579 N VAL A 125 2.540 10.365 3.724 1.00 0.20 N ATOM 580 CA VAL A 125 2.249 10.672 5.105 1.00 0.22 C ATOM 581 C VAL A 125 0.801 11.048 5.302 1.00 0.21 C ATOM 582 O VAL A 125 0.225 10.860 6.364 1.00 0.23 O ATOM 583 CB VAL A 125 3.152 11.807 5.579 1.00 0.29 C ATOM 584 CG1 VAL A 125 2.465 12.647 6.639 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.460 11.233 6.077 1.00 0.32 C ATOM 0 H VAL A 125 3.235 10.981 3.302 1.00 0.20 H new ATOM 0 HA VAL A 125 2.440 9.776 5.696 1.00 0.22 H new ATOM 0 HB VAL A 125 3.362 12.472 4.741 1.00 0.29 H new ATOM 0 HG11 VAL A 125 3.132 13.448 6.958 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.552 13.078 6.227 1.00 0.35 H new ATOM 0 HG13 VAL A 125 2.216 12.020 7.495 1.00 0.35 H new ATOM 0 HG21 VAL A 125 5.107 12.042 6.416 1.00 0.32 H new ATOM 0 HG22 VAL A 125 4.266 10.552 6.906 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.951 10.691 5.269 1.00 0.32 H new ATOM 595 N LYS A 126 0.248 11.636 4.295 1.00 0.20 N ATOM 596 CA LYS A 126 -1.176 11.848 4.243 1.00 0.20 C ATOM 597 C LYS A 126 -1.883 10.580 3.813 1.00 0.16 C ATOM 598 O LYS A 126 -2.921 10.242 4.341 1.00 0.19 O ATOM 599 CB LYS A 126 -1.453 12.936 3.253 1.00 0.24 C ATOM 600 CG LYS A 126 -0.929 12.547 1.895 1.00 0.32 C ATOM 601 CD LYS A 126 -0.071 13.561 1.204 1.00 0.39 C ATOM 602 CE LYS A 126 -0.720 14.928 1.063 1.00 0.59 C ATOM 603 NZ LYS A 126 -0.753 15.708 2.329 1.00 1.51 N ATOM 0 H LYS A 126 0.759 11.985 3.484 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.542 12.128 5.231 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.525 13.123 3.197 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -0.984 13.864 3.580 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.355 11.626 2.000 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -1.779 12.321 1.251 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.862 13.669 1.756 1.00 0.39 H new ATOM 0 HD3 LYS A 126 0.187 13.189 0.212 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.181 15.500 0.308 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -1.739 14.801 0.699 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -0.730 16.725 2.111 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -1.625 15.486 2.851 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 0.072 15.460 2.911 1.00 1.51 H new ATOM 617 N LEU A 127 -1.304 9.888 2.844 1.00 0.15 N ATOM 618 CA LEU A 127 -1.910 8.716 2.267 1.00 0.19 C ATOM 619 C LEU A 127 -2.134 7.619 3.227 1.00 0.20 C ATOM 620 O LEU A 127 -3.138 6.966 3.098 1.00 0.24 O ATOM 621 CB LEU A 127 -1.129 8.218 1.101 1.00 0.25 C ATOM 622 CG LEU A 127 -1.685 8.755 -0.201 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.608 9.420 -1.056 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.414 7.657 -0.936 1.00 0.40 C ATOM 0 H LEU A 127 -0.399 10.130 2.440 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.895 9.044 1.934 1.00 0.19 H new ATOM 0 HB2 LEU A 127 -0.086 8.517 1.205 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -1.149 7.128 1.086 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.403 9.543 0.027 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -1.053 9.790 -1.980 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.169 10.253 -0.506 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.168 8.693 -1.294 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.812 8.048 -1.872 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.724 6.841 -1.148 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -3.233 7.288 -0.319 1.00 0.40 H new ATOM 636 N LEU A 128 -1.264 7.376 4.184 1.00 0.18 N ATOM 637 CA LEU A 128 -1.610 6.341 5.107 1.00 0.24 C ATOM 638 C LEU A 128 -2.871 6.761 5.881 1.00 0.26 C ATOM 639 O LEU A 128 -3.779 5.964 6.094 1.00 0.32 O ATOM 640 CB LEU A 128 -0.452 5.869 6.030 1.00 0.28 C ATOM 641 CG LEU A 128 0.446 6.897 6.697 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.675 7.103 5.890 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.241 8.185 6.862 1.00 0.21 C ATOM 0 H LEU A 128 -0.373 7.849 4.332 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.826 5.446 4.524 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.893 5.260 6.820 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.187 5.212 5.440 1.00 0.28 H new ATOM 0 HG LEU A 128 0.708 6.513 7.683 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.311 7.842 6.378 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.215 6.160 5.803 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.402 7.458 4.896 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.431 8.897 7.342 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.537 8.567 5.885 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.127 8.048 7.481 1.00 0.21 H new ATOM 655 N GLU A 129 -2.957 8.049 6.192 1.00 0.23 N ATOM 656 CA GLU A 129 -4.112 8.617 6.863 1.00 0.28 C ATOM 657 C GLU A 129 -5.293 8.502 5.927 1.00 0.25 C ATOM 658 O GLU A 129 -6.442 8.304 6.322 1.00 0.31 O ATOM 659 CB GLU A 129 -3.873 10.101 7.124 1.00 0.32 C ATOM 660 CG GLU A 129 -2.501 10.421 7.663 1.00 0.44 C ATOM 661 CD GLU A 129 -2.328 11.902 7.949 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.489 12.715 7.017 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.018 12.262 9.105 1.00 2.23 O ATOM 0 H GLU A 129 -2.224 8.727 5.984 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.289 8.095 7.803 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.023 10.651 6.195 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.621 10.459 7.831 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.331 9.854 8.578 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.746 10.101 6.944 1.00 0.44 H new ATOM 670 N ALA A 130 -4.942 8.599 4.664 1.00 0.21 N ATOM 671 CA ALA A 130 -5.868 8.748 3.587 1.00 0.25 C ATOM 672 C ALA A 130 -6.276 7.385 3.037 1.00 0.28 C ATOM 673 O ALA A 130 -7.164 7.276 2.192 1.00 0.33 O ATOM 674 CB ALA A 130 -5.200 9.600 2.507 1.00 0.26 C ATOM 0 H ALA A 130 -3.969 8.574 4.359 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.777 9.238 3.935 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.886 9.730 1.670 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.942 10.575 2.920 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.294 9.103 2.160 1.00 0.26 H new ATOM 680 N THR A 131 -5.612 6.348 3.534 1.00 0.26 N ATOM 681 CA THR A 131 -5.804 5.001 3.044 1.00 0.29 C ATOM 682 C THR A 131 -6.238 4.102 4.194 1.00 0.29 C ATOM 683 O THR A 131 -6.451 2.895 4.036 1.00 0.33 O ATOM 684 CB THR A 131 -4.517 4.468 2.384 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.779 3.250 1.675 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.459 4.230 3.436 1.00 0.28 C ATOM 0 H THR A 131 -4.928 6.424 4.287 1.00 0.26 H new ATOM 0 HA THR A 131 -6.584 5.006 2.283 1.00 0.29 H new ATOM 0 HB THR A 131 -4.159 5.214 1.674 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.386 2.689 2.202 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.553 3.853 2.962 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.238 5.166 3.948 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.822 3.498 4.158 1.00 0.28 H new ATOM 694 N GLN A 132 -6.359 4.741 5.353 1.00 0.25 N ATOM 695 CA GLN A 132 -6.716 4.101 6.610 1.00 0.25 C ATOM 696 C GLN A 132 -5.638 3.132 7.084 1.00 0.21 C ATOM 697 O GLN A 132 -5.875 1.942 7.282 1.00 0.23 O ATOM 698 CB GLN A 132 -8.079 3.413 6.557 1.00 0.32 C ATOM 699 CG GLN A 132 -9.262 4.376 6.496 1.00 0.41 C ATOM 700 CD GLN A 132 -9.491 4.971 5.118 1.00 1.38 C ATOM 701 OE1 GLN A 132 -9.230 4.331 4.101 1.00 2.19 O ATOM 702 NE2 GLN A 132 -9.976 6.201 5.074 1.00 2.15 N ATOM 0 H GLN A 132 -6.207 5.745 5.444 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.791 4.905 7.342 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -8.111 2.760 5.685 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.187 2.777 7.435 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -10.164 3.851 6.810 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.099 5.184 7.209 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -10.180 6.700 5.940 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -10.146 6.650 4.174 1.00 2.15 H new ATOM 711 N TYR A 133 -4.456 3.679 7.264 1.00 0.17 N ATOM 712 CA TYR A 133 -3.303 2.970 7.734 1.00 0.15 C ATOM 713 C TYR A 133 -2.463 3.982 8.471 1.00 0.15 C ATOM 714 O TYR A 133 -2.419 5.142 8.108 1.00 0.18 O ATOM 715 CB TYR A 133 -2.526 2.300 6.592 1.00 0.16 C ATOM 716 CG TYR A 133 -1.017 2.526 6.607 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.303 2.306 7.772 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.298 2.963 5.485 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.053 2.505 7.821 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.041 3.141 5.534 1.00 0.25 C ATOM 721 CZ TYR A 133 1.715 2.951 6.574 1.00 0.19 C ATOM 722 OH TYR A 133 3.066 3.121 6.731 1.00 0.27 O ATOM 0 H TYR A 133 -4.273 4.665 7.078 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.594 2.149 8.390 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.716 1.227 6.626 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.921 2.664 5.644 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.823 1.972 8.658 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.825 3.161 4.563 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.614 2.343 8.730 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.553 3.461 4.638 1.00 0.25 H new ATOM 0 HH TYR A 133 3.497 2.246 6.825 1.00 0.27 H new ATOM 732 N ARG A 134 -1.841 3.573 9.530 1.00 0.15 N ATOM 733 CA ARG A 134 -1.091 4.488 10.339 1.00 0.18 C ATOM 734 C ARG A 134 0.105 3.748 10.867 1.00 0.19 C ATOM 735 O ARG A 134 0.108 2.523 10.809 1.00 0.18 O ATOM 736 CB ARG A 134 -1.970 4.968 11.472 1.00 0.18 C ATOM 737 CG ARG A 134 -3.416 5.171 11.055 1.00 0.22 C ATOM 738 CD ARG A 134 -4.157 3.853 11.008 1.00 0.25 C ATOM 739 NE ARG A 134 -4.514 3.356 12.334 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.881 2.100 12.573 1.00 0.44 C ATOM 741 NH1 ARG A 134 -5.057 1.262 11.563 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.098 1.690 13.815 1.00 0.49 N ATOM 0 H ARG A 134 -1.836 2.607 9.859 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.762 5.356 9.767 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.931 4.245 12.287 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.574 5.907 11.859 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.909 5.845 11.756 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.452 5.648 10.075 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -5.063 3.972 10.414 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.539 3.112 10.502 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.480 4.007 13.119 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -4.911 1.580 10.605 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -5.338 0.298 11.743 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -4.984 2.339 14.594 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.379 0.726 13.992 1.00 0.49 H new ATOM 756 N GLN A 135 1.109 4.453 11.365 1.00 0.22 N ATOM 757 CA GLN A 135 2.322 3.791 11.813 1.00 0.25 C ATOM 758 C GLN A 135 2.029 2.686 12.772 1.00 0.24 C ATOM 759 O GLN A 135 0.980 2.636 13.424 1.00 0.30 O ATOM 760 CB GLN A 135 3.302 4.745 12.476 1.00 0.35 C ATOM 761 CG GLN A 135 3.103 4.865 13.976 1.00 0.88 C ATOM 762 CD GLN A 135 3.635 6.164 14.547 1.00 1.36 C ATOM 763 OE1 GLN A 135 4.799 6.257 14.934 1.00 1.87 O ATOM 764 NE2 GLN A 135 2.781 7.172 14.616 1.00 1.96 N ATOM 0 H GLN A 135 1.109 5.468 11.468 1.00 0.22 H new ATOM 0 HA GLN A 135 2.776 3.388 10.908 1.00 0.25 H new ATOM 0 HB2 GLN A 135 4.319 4.406 12.278 1.00 0.35 H new ATOM 0 HB3 GLN A 135 3.201 5.731 12.023 1.00 0.35 H new ATOM 0 HG2 GLN A 135 2.040 4.785 14.202 1.00 0.88 H new ATOM 0 HG3 GLN A 135 3.598 4.029 14.470 1.00 0.88 H new ATOM 0 HE21 GLN A 135 1.824 7.053 14.284 1.00 1.96 H new ATOM 0 HE22 GLN A 135 3.080 8.068 15.001 1.00 1.96 H new ATOM 773 N VAL A 136 2.994 1.822 12.882 1.00 0.23 N ATOM 774 CA VAL A 136 2.797 0.614 13.587 1.00 0.24 C ATOM 775 C VAL A 136 4.065 0.195 14.311 1.00 0.27 C ATOM 776 O VAL A 136 5.170 0.548 13.901 1.00 0.27 O ATOM 777 CB VAL A 136 2.310 -0.486 12.604 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.725 -1.884 13.021 1.00 0.23 C ATOM 779 CG2 VAL A 136 0.812 -0.410 12.418 1.00 0.20 C ATOM 0 H VAL A 136 3.926 1.943 12.486 1.00 0.23 H new ATOM 0 HA VAL A 136 2.030 0.763 14.347 1.00 0.24 H new ATOM 0 HB VAL A 136 2.801 -0.288 11.651 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.354 -2.606 12.293 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.812 -1.942 13.068 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.307 -2.110 14.002 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.491 -1.189 11.726 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.318 -0.553 13.379 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.545 0.567 12.014 1.00 0.20 H new ATOM 789 N SER A 137 3.895 -0.534 15.393 1.00 0.31 N ATOM 790 CA SER A 137 5.008 -1.092 16.132 1.00 0.35 C ATOM 791 C SER A 137 5.832 -2.022 15.275 1.00 0.33 C ATOM 792 O SER A 137 7.056 -1.912 15.187 1.00 0.35 O ATOM 793 CB SER A 137 4.436 -1.889 17.268 1.00 0.39 C ATOM 794 OG SER A 137 4.095 -1.064 18.369 1.00 0.73 O ATOM 0 H SER A 137 2.980 -0.757 15.786 1.00 0.31 H new ATOM 0 HA SER A 137 5.651 -0.281 16.474 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.550 -2.425 16.927 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.159 -2.640 17.586 1.00 0.39 H new ATOM 0 HG SER A 137 3.724 -1.616 19.089 1.00 0.73 H new ATOM 800 N LYS A 138 5.134 -2.923 14.640 1.00 0.30 N ATOM 801 CA LYS A 138 5.733 -3.918 13.803 1.00 0.30 C ATOM 802 C LYS A 138 4.713 -4.410 12.831 1.00 0.27 C ATOM 803 O LYS A 138 3.725 -5.052 13.194 1.00 0.28 O ATOM 804 CB LYS A 138 6.230 -5.054 14.628 1.00 0.35 C ATOM 805 CG LYS A 138 5.182 -5.561 15.570 1.00 0.37 C ATOM 806 CD LYS A 138 5.630 -6.821 16.283 1.00 0.43 C ATOM 807 CE LYS A 138 5.962 -7.917 15.284 1.00 0.44 C ATOM 808 NZ LYS A 138 6.487 -9.139 15.944 1.00 0.51 N ATOM 0 H LYS A 138 4.117 -2.985 14.692 1.00 0.30 H new ATOM 0 HA LYS A 138 6.576 -3.482 13.268 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.552 -5.864 13.974 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.104 -4.735 15.195 1.00 0.35 H new ATOM 0 HG2 LYS A 138 4.950 -4.790 16.305 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.264 -5.762 15.018 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.504 -6.605 16.897 1.00 0.43 H new ATOM 0 HD3 LYS A 138 4.844 -7.162 16.956 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.068 -8.170 14.714 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.699 -7.546 14.572 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.699 -9.859 15.224 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.355 -8.905 16.467 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.775 -9.510 16.605 1.00 0.51 H new ATOM 822 N MET A 139 4.913 -4.059 11.605 1.00 0.25 N ATOM 823 CA MET A 139 3.943 -4.299 10.628 1.00 0.25 C ATOM 824 C MET A 139 3.764 -5.745 10.310 1.00 0.26 C ATOM 825 O MET A 139 4.534 -6.357 9.571 1.00 0.30 O ATOM 826 CB MET A 139 4.324 -3.588 9.394 1.00 0.33 C ATOM 827 CG MET A 139 3.131 -3.166 8.661 1.00 0.70 C ATOM 828 SD MET A 139 3.412 -2.846 6.924 1.00 2.16 S ATOM 829 CE MET A 139 3.962 -4.441 6.373 1.00 2.71 C ATOM 0 H MET A 139 5.758 -3.599 11.267 1.00 0.25 H new ATOM 0 HA MET A 139 2.995 -3.940 11.028 1.00 0.25 H new ATOM 0 HB2 MET A 139 4.934 -2.719 9.641 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.934 -4.237 8.766 1.00 0.33 H new ATOM 0 HG2 MET A 139 2.367 -3.938 8.758 1.00 0.70 H new ATOM 0 HG3 MET A 139 2.733 -2.264 9.125 1.00 0.70 H new ATOM 0 HE1 MET A 139 5.019 -4.391 6.110 1.00 2.71 H new ATOM 0 HE2 MET A 139 3.821 -5.170 7.171 1.00 2.71 H new ATOM 0 HE3 MET A 139 3.385 -4.743 5.499 1.00 2.71 H new ATOM 839 N THR A 140 2.735 -6.268 10.887 1.00 0.25 N ATOM 840 CA THR A 140 2.112 -7.442 10.388 1.00 0.26 C ATOM 841 C THR A 140 0.726 -7.512 10.942 1.00 0.27 C ATOM 842 O THR A 140 0.480 -8.087 11.997 1.00 0.30 O ATOM 843 CB THR A 140 2.945 -8.654 10.790 1.00 0.31 C ATOM 844 OG1 THR A 140 2.271 -9.883 10.480 1.00 0.35 O ATOM 845 CG2 THR A 140 3.292 -8.583 12.269 1.00 0.34 C ATOM 0 H THR A 140 2.300 -5.887 11.727 1.00 0.25 H new ATOM 0 HA THR A 140 2.048 -7.426 9.300 1.00 0.26 H new ATOM 0 HB THR A 140 3.869 -8.637 10.212 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.832 -10.640 10.749 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.887 -9.453 12.545 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.863 -7.676 12.466 1.00 0.34 H new ATOM 0 HG23 THR A 140 2.375 -8.569 12.858 1.00 0.34 H new ATOM 853 N ARG A 141 -0.190 -7.010 10.153 1.00 0.25 N ATOM 854 CA ARG A 141 -1.586 -7.024 10.478 1.00 0.28 C ATOM 855 C ARG A 141 -2.352 -7.106 9.180 1.00 0.30 C ATOM 856 O ARG A 141 -1.758 -6.962 8.114 1.00 0.45 O ATOM 857 CB ARG A 141 -1.965 -5.749 11.240 1.00 0.30 C ATOM 858 CG ARG A 141 -0.956 -5.343 12.293 1.00 0.38 C ATOM 859 CD ARG A 141 -1.023 -6.303 13.437 1.00 1.01 C ATOM 860 NE ARG A 141 -0.290 -5.835 14.611 1.00 1.20 N ATOM 861 CZ ARG A 141 0.377 -6.641 15.437 1.00 1.74 C ATOM 862 NH1 ARG A 141 0.393 -7.953 15.220 1.00 2.38 N ATOM 863 NH2 ARG A 141 1.033 -6.140 16.475 1.00 1.97 N ATOM 0 H ARG A 141 0.020 -6.575 9.255 1.00 0.25 H new ATOM 0 HA ARG A 141 -1.823 -7.876 11.116 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.081 -4.932 10.528 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -2.934 -5.896 11.717 1.00 0.30 H new ATOM 0 HG2 ARG A 141 0.048 -5.336 11.868 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.163 -4.331 12.640 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.066 -6.467 13.707 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -0.620 -7.265 13.122 1.00 1.01 H new ATOM 0 HE ARG A 141 -0.289 -4.835 14.810 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.106 -8.344 14.421 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.904 -8.568 15.853 1.00 2.38 H new ATOM 0 HH21 ARG A 141 1.028 -5.134 16.644 1.00 1.97 H new ATOM 0 HH22 ARG A 141 1.542 -6.761 17.104 1.00 1.97 H new ATOM 877 N PRO A 142 -3.657 -7.334 9.204 1.00 0.36 N ATOM 878 CA PRO A 142 -4.429 -7.166 7.999 1.00 0.39 C ATOM 879 C PRO A 142 -4.756 -5.692 7.763 1.00 0.32 C ATOM 880 O PRO A 142 -5.534 -5.087 8.508 1.00 0.37 O ATOM 881 CB PRO A 142 -5.694 -7.971 8.279 1.00 0.53 C ATOM 882 CG PRO A 142 -5.845 -7.965 9.765 1.00 0.79 C ATOM 883 CD PRO A 142 -4.463 -7.801 10.346 1.00 0.55 C ATOM 0 HA PRO A 142 -3.904 -7.497 7.103 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.561 -7.522 7.794 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.606 -8.988 7.897 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.497 -7.151 10.083 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.301 -8.893 10.110 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.455 -7.080 11.163 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.083 -8.741 10.747 1.00 0.55 H new ATOM 891 N GLY A 143 -4.156 -5.120 6.725 1.00 0.27 N ATOM 892 CA GLY A 143 -4.516 -3.772 6.305 1.00 0.27 C ATOM 893 C GLY A 143 -3.950 -2.667 7.195 1.00 0.26 C ATOM 894 O GLY A 143 -4.353 -1.511 7.078 1.00 0.38 O ATOM 0 H GLY A 143 -3.427 -5.562 6.165 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.166 -3.616 5.284 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.603 -3.687 6.286 1.00 0.27 H new ATOM 898 N GLU A 144 -3.003 -3.009 8.059 1.00 0.17 N ATOM 899 CA GLU A 144 -2.376 -2.025 8.946 1.00 0.14 C ATOM 900 C GLU A 144 -0.898 -2.061 8.666 1.00 0.11 C ATOM 901 O GLU A 144 -0.314 -3.146 8.611 1.00 0.12 O ATOM 902 CB GLU A 144 -2.600 -2.364 10.419 1.00 0.18 C ATOM 903 CG GLU A 144 -4.002 -2.866 10.757 1.00 0.40 C ATOM 904 CD GLU A 144 -5.040 -1.763 10.824 1.00 0.84 C ATOM 905 OE1 GLU A 144 -5.531 -1.336 9.758 1.00 1.49 O ATOM 906 OE2 GLU A 144 -5.368 -1.310 11.935 1.00 1.44 O ATOM 0 H GLU A 144 -2.649 -3.959 8.168 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.812 -1.043 8.761 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -1.877 -3.123 10.716 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.394 -1.476 11.017 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.308 -3.597 10.008 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -3.972 -3.385 11.715 1.00 0.40 H new ATOM 913 N PHE A 145 -0.269 -0.913 8.501 1.00 0.10 N ATOM 914 CA PHE A 145 1.089 -0.936 8.001 1.00 0.10 C ATOM 915 C PHE A 145 2.015 -0.095 8.865 1.00 0.09 C ATOM 916 O PHE A 145 1.571 0.571 9.781 1.00 0.10 O ATOM 917 CB PHE A 145 1.178 -0.486 6.538 1.00 0.16 C ATOM 918 CG PHE A 145 0.060 -0.935 5.617 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.441 -2.223 5.698 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.499 -0.074 4.694 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.472 -2.641 4.877 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.528 -0.484 3.867 1.00 0.30 C ATOM 923 CZ PHE A 145 -1.967 -1.750 3.893 1.00 0.27 C ATOM 0 H PHE A 145 -0.657 0.010 8.696 1.00 0.10 H new ATOM 0 HA PHE A 145 1.416 -1.975 8.050 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.217 0.603 6.519 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.122 -0.846 6.128 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.020 -2.913 6.414 1.00 0.20 H new ATOM 0 HD2 PHE A 145 -0.126 0.937 4.617 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.893 -3.630 4.984 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.984 0.225 3.191 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.693 -2.089 3.169 1.00 0.27 H new ATOM 933 N THR A 146 3.306 -0.130 8.575 1.00 0.09 N ATOM 934 CA THR A 146 4.259 0.641 9.343 1.00 0.12 C ATOM 935 C THR A 146 4.852 1.753 8.524 1.00 0.12 C ATOM 936 O THR A 146 5.171 1.592 7.345 1.00 0.15 O ATOM 937 CB THR A 146 5.406 -0.219 9.904 1.00 0.15 C ATOM 938 OG1 THR A 146 5.890 -1.124 8.914 1.00 0.16 O ATOM 939 CG2 THR A 146 4.983 -0.975 11.131 1.00 0.19 C ATOM 0 H THR A 146 3.712 -0.681 7.818 1.00 0.09 H new ATOM 0 HA THR A 146 3.694 1.054 10.179 1.00 0.12 H new ATOM 0 HB THR A 146 6.211 0.459 10.187 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.716 -1.545 9.232 1.00 0.16 H new ATOM 0 HG21 THR A 146 5.819 -1.570 11.498 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.673 -0.271 11.903 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.150 -1.633 10.884 1.00 0.19 H new ATOM 947 N VAL A 147 4.990 2.874 9.179 1.00 0.14 N ATOM 948 CA VAL A 147 5.507 4.081 8.563 1.00 0.15 C ATOM 949 C VAL A 147 6.983 4.288 8.912 1.00 0.23 C ATOM 950 O VAL A 147 7.401 4.022 10.040 1.00 0.29 O ATOM 951 CB VAL A 147 4.684 5.291 9.033 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.341 6.595 8.613 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.277 5.220 8.487 1.00 0.73 C ATOM 0 H VAL A 147 4.747 2.983 10.164 1.00 0.14 H new ATOM 0 HA VAL A 147 5.425 3.979 7.481 1.00 0.15 H new ATOM 0 HB VAL A 147 4.642 5.263 10.122 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.737 7.434 8.959 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.337 6.659 9.052 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.421 6.629 7.526 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.709 6.085 8.830 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.309 5.216 7.397 1.00 0.73 H new ATOM 0 HG23 VAL A 147 2.796 4.307 8.839 1.00 0.73 H new ATOM 963 N GLN A 148 7.770 4.758 7.943 1.00 0.37 N ATOM 964 CA GLN A 148 9.192 4.994 8.166 1.00 0.51 C ATOM 965 C GLN A 148 9.596 6.407 7.719 1.00 0.58 C ATOM 966 O GLN A 148 9.687 7.311 8.549 1.00 1.16 O ATOM 967 CB GLN A 148 10.022 3.928 7.446 1.00 0.57 C ATOM 968 CG GLN A 148 11.506 3.978 7.761 1.00 1.20 C ATOM 969 CD GLN A 148 12.273 2.869 7.070 1.00 1.71 C ATOM 970 OE1 GLN A 148 12.741 3.031 5.945 1.00 2.45 O ATOM 971 NE2 GLN A 148 12.401 1.735 7.738 1.00 2.15 N ATOM 0 H GLN A 148 7.446 4.981 7.002 1.00 0.37 H new ATOM 0 HA GLN A 148 9.391 4.922 9.235 1.00 0.51 H new ATOM 0 HB2 GLN A 148 9.638 2.943 7.713 1.00 0.57 H new ATOM 0 HB3 GLN A 148 9.886 4.043 6.371 1.00 0.57 H new ATOM 0 HG2 GLN A 148 11.909 4.943 7.454 1.00 1.20 H new ATOM 0 HG3 GLN A 148 11.650 3.901 8.839 1.00 1.20 H new ATOM 0 HE21 GLN A 148 11.997 1.644 8.670 1.00 2.15 H new ATOM 0 HE22 GLN A 148 12.904 0.952 7.321 1.00 2.15 H new ATOM 980 N ALA A 149 9.816 6.602 6.414 1.00 0.40 N ATOM 981 CA ALA A 149 10.221 7.911 5.882 1.00 0.39 C ATOM 982 C ALA A 149 10.179 7.929 4.353 1.00 0.31 C ATOM 983 O ALA A 149 9.158 8.264 3.759 1.00 0.37 O ATOM 984 CB ALA A 149 11.610 8.296 6.380 1.00 0.49 C ATOM 0 H ALA A 149 9.721 5.873 5.707 1.00 0.40 H new ATOM 0 HA ALA A 149 9.506 8.648 6.248 1.00 0.39 H new ATOM 0 HB1 ALA A 149 11.886 9.268 5.972 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.605 8.347 7.469 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.333 7.548 6.056 1.00 0.49 H new ATOM 990 N ASN A 150 11.289 7.542 3.717 1.00 0.26 N ATOM 991 CA ASN A 150 11.350 7.439 2.252 1.00 0.24 C ATOM 992 C ASN A 150 10.754 6.137 1.824 1.00 0.19 C ATOM 993 O ASN A 150 10.722 5.806 0.648 1.00 0.20 O ATOM 994 CB ASN A 150 12.775 7.448 1.737 1.00 0.28 C ATOM 995 CG ASN A 150 13.512 8.749 2.002 1.00 0.39 C ATOM 996 OD1 ASN A 150 12.910 9.821 2.082 1.00 1.02 O ATOM 997 ND2 ASN A 150 14.827 8.670 2.133 1.00 1.00 N ATOM 0 H ASN A 150 12.158 7.295 4.191 1.00 0.26 H new ATOM 0 HA ASN A 150 10.810 8.297 1.852 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.325 6.629 2.200 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.765 7.258 0.664 1.00 0.28 H new ATOM 0 HD21 ASN A 150 15.374 9.513 2.306 1.00 1.00 H new ATOM 0 HD22 ASN A 150 15.293 7.766 2.061 1.00 1.00 H new ATOM 1004 N SER A 151 10.357 5.359 2.787 1.00 0.17 N ATOM 1005 CA SER A 151 9.636 4.162 2.495 1.00 0.20 C ATOM 1006 C SER A 151 8.582 3.918 3.567 1.00 0.20 C ATOM 1007 O SER A 151 8.758 4.306 4.724 1.00 0.27 O ATOM 1008 CB SER A 151 10.587 2.963 2.431 1.00 0.27 C ATOM 1009 OG SER A 151 11.670 3.209 1.552 1.00 0.94 O ATOM 0 H SER A 151 10.521 5.533 3.778 1.00 0.17 H new ATOM 0 HA SER A 151 9.151 4.279 1.526 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.968 2.745 3.429 1.00 0.27 H new ATOM 0 HB3 SER A 151 10.040 2.080 2.099 1.00 0.27 H new ATOM 0 HG SER A 151 11.694 2.515 0.860 1.00 0.94 H new ATOM 1015 N ILE A 152 7.482 3.321 3.167 1.00 0.18 N ATOM 1016 CA ILE A 152 6.510 2.789 4.084 1.00 0.17 C ATOM 1017 C ILE A 152 6.594 1.273 3.994 1.00 0.17 C ATOM 1018 O ILE A 152 7.307 0.735 3.150 1.00 0.19 O ATOM 1019 CB ILE A 152 5.100 3.305 3.720 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.864 4.650 4.399 1.00 0.20 C ATOM 1021 CG2 ILE A 152 3.992 2.330 4.089 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.520 5.219 4.093 1.00 0.20 C ATOM 0 H ILE A 152 7.238 3.192 2.185 1.00 0.18 H new ATOM 0 HA ILE A 152 6.709 3.110 5.106 1.00 0.17 H new ATOM 0 HB ILE A 152 5.065 3.414 2.636 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.967 4.531 5.478 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.633 5.353 4.081 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.027 2.752 3.807 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.145 1.389 3.561 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.009 2.150 5.164 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.406 6.176 4.602 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.423 5.366 3.017 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.747 4.531 4.436 1.00 0.20 H new ATOM 1034 N GLU A 153 5.920 0.586 4.864 1.00 0.16 N ATOM 1035 CA GLU A 153 5.759 -0.824 4.708 1.00 0.14 C ATOM 1036 C GLU A 153 4.284 -1.074 4.505 1.00 0.23 C ATOM 1037 O GLU A 153 3.487 -0.405 5.130 1.00 0.56 O ATOM 1038 CB GLU A 153 6.245 -1.551 5.941 1.00 0.18 C ATOM 1039 CG GLU A 153 6.755 -2.932 5.622 1.00 0.27 C ATOM 1040 CD GLU A 153 7.540 -3.545 6.766 1.00 0.50 C ATOM 1041 OE1 GLU A 153 6.959 -4.322 7.549 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.744 -3.241 6.900 1.00 0.72 O ATOM 0 H GLU A 153 5.472 0.981 5.691 1.00 0.16 H new ATOM 0 HA GLU A 153 6.340 -1.189 3.861 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.039 -0.972 6.413 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.431 -1.624 6.663 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.912 -3.579 5.378 1.00 0.27 H new ATOM 0 HG3 GLU A 153 7.388 -2.885 4.736 1.00 0.27 H new ATOM 1049 N MET A 154 3.909 -1.975 3.624 1.00 0.13 N ATOM 1050 CA MET A 154 2.489 -2.269 3.438 1.00 0.13 C ATOM 1051 C MET A 154 2.231 -3.772 3.273 1.00 0.15 C ATOM 1052 O MET A 154 2.927 -4.448 2.525 1.00 0.18 O ATOM 1053 CB MET A 154 1.946 -1.472 2.235 1.00 0.19 C ATOM 1054 CG MET A 154 2.483 -1.904 0.872 1.00 0.94 C ATOM 1055 SD MET A 154 1.599 -3.307 0.152 1.00 0.73 S ATOM 1056 CE MET A 154 -0.087 -2.697 0.151 1.00 1.32 C ATOM 0 H MET A 154 4.544 -2.511 3.033 1.00 0.13 H new ATOM 0 HA MET A 154 1.956 -1.959 4.337 1.00 0.13 H new ATOM 0 HB2 MET A 154 0.859 -1.558 2.223 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.181 -0.418 2.382 1.00 0.19 H new ATOM 0 HG2 MET A 154 2.426 -1.060 0.185 1.00 0.94 H new ATOM 0 HG3 MET A 154 3.537 -2.163 0.972 1.00 0.94 H new ATOM 0 HE1 MET A 154 -0.689 -3.292 -0.536 1.00 1.32 H new ATOM 0 HE2 MET A 154 -0.502 -2.773 1.156 1.00 1.32 H new ATOM 0 HE3 MET A 154 -0.097 -1.655 -0.168 1.00 1.32 H new ATOM 1066 N ILE A 155 1.258 -4.304 4.017 1.00 0.16 N ATOM 1067 CA ILE A 155 0.803 -5.672 3.809 1.00 0.19 C ATOM 1068 C ILE A 155 -0.055 -5.750 2.558 1.00 0.27 C ATOM 1069 O ILE A 155 -0.812 -4.828 2.259 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.042 -6.213 4.980 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.255 -5.449 6.277 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.232 -7.709 5.151 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.100 -6.202 7.264 1.00 0.24 C ATOM 0 H ILE A 155 0.775 -3.807 4.765 1.00 0.16 H new ATOM 0 HA ILE A 155 1.705 -6.277 3.720 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.098 -6.065 4.753 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.757 -4.515 6.026 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.690 -5.186 6.753 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.363 -8.096 5.978 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.035 -8.235 4.234 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.290 -7.863 5.363 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.260 -5.587 8.150 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.593 -7.124 7.549 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.062 -6.442 6.811 1.00 0.24 H new ATOM 1297 N VAL A 169 0.776 -11.253 3.800 1.00 0.38 N ATOM 1298 CA VAL A 169 2.146 -11.035 3.438 1.00 0.32 C ATOM 1299 C VAL A 169 2.355 -9.575 3.272 1.00 0.26 C ATOM 1300 O VAL A 169 1.496 -8.865 2.760 1.00 0.29 O ATOM 1301 CB VAL A 169 2.497 -11.663 2.093 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.685 -10.926 1.487 1.00 0.36 C ATOM 1303 CG2 VAL A 169 2.766 -13.151 2.231 1.00 0.48 C ATOM 0 HA VAL A 169 2.763 -11.478 4.220 1.00 0.32 H new ATOM 0 HB VAL A 169 1.646 -11.564 1.419 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.938 -11.373 0.526 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.427 -9.877 1.343 1.00 0.36 H new ATOM 0 HG13 VAL A 169 4.540 -11.001 2.158 1.00 0.36 H new ATOM 0 HG21 VAL A 169 3.013 -13.568 1.255 1.00 0.48 H new ATOM 0 HG22 VAL A 169 3.600 -13.308 2.915 1.00 0.48 H new ATOM 0 HG23 VAL A 169 1.878 -13.647 2.623 1.00 0.48 H new ATOM 1313 N ARG A 170 3.506 -9.144 3.639 1.00 0.23 N ATOM 1314 CA ARG A 170 3.784 -7.759 3.602 1.00 0.20 C ATOM 1315 C ARG A 170 4.929 -7.391 2.712 1.00 0.19 C ATOM 1316 O ARG A 170 5.908 -8.123 2.546 1.00 0.25 O ATOM 1317 CB ARG A 170 3.945 -7.246 4.990 1.00 0.26 C ATOM 1318 CG ARG A 170 4.846 -8.078 5.858 1.00 0.23 C ATOM 1319 CD ARG A 170 6.313 -7.849 5.564 1.00 0.39 C ATOM 1320 NE ARG A 170 7.171 -8.189 6.700 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.222 -9.008 6.636 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.468 -9.704 5.533 1.00 1.39 N ATOM 1323 NH2 ARG A 170 9.008 -9.158 7.693 1.00 1.61 N ATOM 0 H ARG A 170 4.271 -9.733 3.969 1.00 0.23 H new ATOM 0 HA ARG A 170 2.928 -7.266 3.142 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.339 -6.231 4.946 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.963 -7.186 5.459 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.649 -7.848 6.905 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.611 -9.132 5.714 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.605 -8.447 4.700 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.468 -6.804 5.296 1.00 0.39 H new ATOM 0 HE ARG A 170 6.950 -7.771 7.604 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.851 -9.615 4.726 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.274 -10.328 5.493 1.00 1.39 H new ATOM 0 HH21 ARG A 170 8.809 -8.648 8.553 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.812 -9.784 7.646 1.00 1.61 H new ATOM 1337 N ALA A 171 4.743 -6.254 2.107 1.00 0.17 N ATOM 1338 CA ALA A 171 5.699 -5.688 1.211 1.00 0.16 C ATOM 1339 C ALA A 171 6.321 -4.454 1.816 1.00 0.16 C ATOM 1340 O ALA A 171 5.833 -3.916 2.805 1.00 0.20 O ATOM 1341 CB ALA A 171 5.029 -5.336 -0.099 1.00 0.16 C ATOM 0 H ALA A 171 3.905 -5.686 2.228 1.00 0.17 H new ATOM 0 HA ALA A 171 6.484 -6.421 1.028 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.764 -4.904 -0.779 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.607 -6.236 -0.545 1.00 0.16 H new ATOM 0 HB3 ALA A 171 4.233 -4.613 0.082 1.00 0.16 H new ATOM 1347 N ARG A 172 7.384 -3.996 1.198 1.00 0.16 N ATOM 1348 CA ARG A 172 8.028 -2.790 1.626 1.00 0.18 C ATOM 1349 C ARG A 172 7.888 -1.801 0.517 1.00 0.18 C ATOM 1350 O ARG A 172 8.325 -2.025 -0.612 1.00 0.22 O ATOM 1351 CB ARG A 172 9.486 -2.996 2.019 1.00 0.24 C ATOM 1352 CG ARG A 172 10.378 -3.559 0.927 1.00 0.79 C ATOM 1353 CD ARG A 172 11.847 -3.400 1.286 1.00 1.08 C ATOM 1354 NE ARG A 172 12.114 -3.716 2.690 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.330 -3.913 3.193 1.00 2.59 C ATOM 1356 NH1 ARG A 172 14.400 -3.860 2.405 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.478 -4.154 4.491 1.00 3.69 N ATOM 0 H ARG A 172 7.819 -4.448 0.393 1.00 0.16 H new ATOM 0 HA ARG A 172 7.549 -2.426 2.535 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.896 -2.040 2.344 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.523 -3.667 2.877 1.00 0.24 H new ATOM 0 HG2 ARG A 172 10.150 -4.614 0.774 1.00 0.79 H new ATOM 0 HG3 ARG A 172 10.173 -3.049 -0.014 1.00 0.79 H new ATOM 0 HD2 ARG A 172 12.447 -4.051 0.649 1.00 1.08 H new ATOM 0 HD3 ARG A 172 12.160 -2.376 1.081 1.00 1.08 H new ATOM 0 HE ARG A 172 11.318 -3.790 3.323 1.00 1.97 H new ATOM 0 HH11 ARG A 172 14.291 -3.667 1.409 1.00 2.48 H new ATOM 0 HH12 ARG A 172 15.330 -4.012 2.796 1.00 2.48 H new ATOM 0 HH21 ARG A 172 12.660 -4.188 5.100 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.409 -4.305 4.879 1.00 3.69 H new ATOM 1371 N LEU A 173 7.232 -0.738 0.839 1.00 0.20 N ATOM 1372 CA LEU A 173 6.735 0.166 -0.142 1.00 0.24 C ATOM 1373 C LEU A 173 7.513 1.475 -0.080 1.00 0.25 C ATOM 1374 O LEU A 173 7.406 2.240 0.866 1.00 0.48 O ATOM 1375 CB LEU A 173 5.248 0.334 0.131 1.00 0.37 C ATOM 1376 CG LEU A 173 4.746 1.741 0.033 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.468 2.115 -1.387 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.547 1.939 0.934 1.00 0.54 C ATOM 0 H LEU A 173 7.024 -0.469 1.801 1.00 0.20 H new ATOM 0 HA LEU A 173 6.867 -0.207 -1.158 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.692 -0.285 -0.573 1.00 0.37 H new ATOM 0 HB3 LEU A 173 5.031 -0.045 1.130 1.00 0.37 H new ATOM 0 HG LEU A 173 5.525 2.418 0.383 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.105 3.142 -1.428 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.384 2.030 -1.972 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.712 1.446 -1.798 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.195 2.967 0.850 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.751 1.257 0.635 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.830 1.735 1.967 1.00 0.54 H new ATOM 1390 N THR A 174 8.291 1.726 -1.099 1.00 0.17 N ATOM 1391 CA THR A 174 9.271 2.784 -1.054 1.00 0.15 C ATOM 1392 C THR A 174 8.922 3.945 -1.940 1.00 0.13 C ATOM 1393 O THR A 174 8.274 3.798 -2.971 1.00 0.12 O ATOM 1394 CB THR A 174 10.653 2.251 -1.432 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.108 1.311 -0.452 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.628 3.396 -1.555 1.00 0.20 C ATOM 0 H THR A 174 8.266 1.209 -1.978 1.00 0.17 H new ATOM 0 HA THR A 174 9.280 3.149 -0.027 1.00 0.15 H new ATOM 0 HB THR A 174 10.585 1.741 -2.393 1.00 0.18 H new ATOM 0 HG1 THR A 174 11.993 0.976 -0.706 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.611 3.010 -1.825 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.285 4.085 -2.327 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.694 3.922 -0.603 1.00 0.20 H new ATOM 1404 N PHE A 175 9.370 5.101 -1.496 1.00 0.16 N ATOM 1405 CA PHE A 175 9.210 6.328 -2.202 1.00 0.17 C ATOM 1406 C PHE A 175 10.559 6.873 -2.635 1.00 0.19 C ATOM 1407 O PHE A 175 11.391 7.191 -1.790 1.00 0.32 O ATOM 1408 CB PHE A 175 8.580 7.336 -1.272 1.00 0.30 C ATOM 1409 CG PHE A 175 7.588 6.740 -0.343 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.414 6.209 -0.830 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.816 6.734 1.014 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.484 5.679 0.028 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.895 6.209 1.875 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.771 5.592 1.376 1.00 0.15 C ATOM 0 H PHE A 175 9.866 5.202 -0.611 1.00 0.16 H new ATOM 0 HA PHE A 175 8.590 6.152 -3.081 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.363 7.823 -0.692 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.093 8.111 -1.864 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.225 6.210 -1.893 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.734 7.149 1.403 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.533 5.332 -0.348 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.048 6.278 2.942 1.00 0.22 H new ATOM 0 HZ PHE A 175 5.116 5.042 2.036 1.00 0.15 H new ATOM 1424 N ASP A 176 10.787 6.993 -3.926 1.00 0.16 N ATOM 1425 CA ASP A 176 12.024 7.625 -4.387 1.00 0.20 C ATOM 1426 C ASP A 176 11.720 8.943 -5.090 1.00 0.19 C ATOM 1427 O ASP A 176 11.143 8.984 -6.169 1.00 0.20 O ATOM 1428 CB ASP A 176 12.889 6.691 -5.269 1.00 0.29 C ATOM 1429 CG ASP A 176 12.546 6.680 -6.751 1.00 0.40 C ATOM 1430 OD1 ASP A 176 11.695 5.856 -7.167 1.00 0.74 O ATOM 1431 OD2 ASP A 176 13.083 7.521 -7.496 1.00 0.68 O ATOM 0 H ASP A 176 10.158 6.674 -4.663 1.00 0.16 H new ATOM 0 HA ASP A 176 12.625 7.836 -3.502 1.00 0.20 H new ATOM 0 HB2 ASP A 176 13.934 6.982 -5.159 1.00 0.29 H new ATOM 0 HB3 ASP A 176 12.799 5.674 -4.886 1.00 0.29 H new ATOM 1436 N GLY A 177 12.054 10.033 -4.428 1.00 0.21 N ATOM 1437 CA GLY A 177 11.916 11.330 -5.048 1.00 0.23 C ATOM 1438 C GLY A 177 10.556 11.939 -4.830 1.00 0.23 C ATOM 1439 O GLY A 177 10.123 12.127 -3.693 1.00 0.27 O ATOM 0 H GLY A 177 12.417 10.045 -3.475 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.677 12.001 -4.650 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.100 11.238 -6.118 1.00 0.23 H new ATOM 1443 N ASP A 178 9.881 12.238 -5.924 1.00 0.22 N ATOM 1444 CA ASP A 178 8.566 12.845 -5.869 1.00 0.26 C ATOM 1445 C ASP A 178 7.599 11.825 -6.373 1.00 0.23 C ATOM 1446 O ASP A 178 6.443 12.125 -6.644 1.00 0.25 O ATOM 1447 CB ASP A 178 8.492 14.081 -6.759 1.00 0.34 C ATOM 1448 CG ASP A 178 7.479 15.098 -6.274 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.824 15.922 -5.400 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.319 15.056 -6.741 1.00 1.34 O ATOM 0 H ASP A 178 10.226 12.068 -6.869 1.00 0.22 H new ATOM 0 HA ASP A 178 8.341 13.155 -4.848 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.475 14.549 -6.805 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.236 13.777 -7.774 1.00 0.34 H new ATOM 1455 N HIS A 179 8.095 10.601 -6.492 1.00 0.19 N ATOM 1456 CA HIS A 179 7.301 9.511 -6.983 1.00 0.17 C ATOM 1457 C HIS A 179 7.563 8.226 -6.232 1.00 0.13 C ATOM 1458 O HIS A 179 8.572 8.072 -5.549 1.00 0.13 O ATOM 1459 CB HIS A 179 7.557 9.316 -8.484 1.00 0.22 C ATOM 1460 CG HIS A 179 8.865 8.679 -8.847 1.00 0.26 C ATOM 1461 ND1 HIS A 179 8.960 7.398 -9.339 1.00 1.28 N ATOM 1462 CD2 HIS A 179 10.125 9.159 -8.814 1.00 0.93 C ATOM 1463 CE1 HIS A 179 10.224 7.120 -9.586 1.00 1.05 C ATOM 1464 NE2 HIS A 179 10.958 8.172 -9.276 1.00 0.45 N ATOM 0 H HIS A 179 9.053 10.349 -6.250 1.00 0.19 H new ATOM 0 HA HIS A 179 6.254 9.766 -6.820 1.00 0.17 H new ATOM 0 HB2 HIS A 179 6.752 8.707 -8.894 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.501 10.289 -8.972 1.00 0.22 H new ATOM 0 HD2 HIS A 179 10.424 10.143 -8.484 1.00 0.93 H new ATOM 0 HE1 HIS A 179 10.598 6.185 -9.978 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.972 8.240 -9.365 1.00 0.45 H new ATOM 1473 N LEU A 180 6.615 7.314 -6.356 1.00 0.13 N ATOM 1474 CA LEU A 180 6.731 6.007 -5.732 1.00 0.12 C ATOM 1475 C LEU A 180 7.858 5.228 -6.346 1.00 0.14 C ATOM 1476 O LEU A 180 8.023 5.187 -7.567 1.00 0.22 O ATOM 1477 CB LEU A 180 5.443 5.204 -5.878 1.00 0.17 C ATOM 1478 CG LEU A 180 5.253 4.155 -4.795 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.526 4.784 -3.453 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.856 3.584 -4.838 1.00 0.20 C ATOM 0 H LEU A 180 5.754 7.455 -6.884 1.00 0.13 H new ATOM 0 HA LEU A 180 6.928 6.172 -4.673 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.595 5.888 -5.862 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.439 4.714 -6.852 1.00 0.17 H new ATOM 0 HG LEU A 180 5.950 3.334 -4.963 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.392 4.039 -2.668 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.550 5.158 -3.428 1.00 0.14 H new ATOM 0 HD13 LEU A 180 4.834 5.610 -3.291 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.745 2.836 -4.053 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.131 4.383 -4.683 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.682 3.120 -5.809 1.00 0.20 H new ATOM 1492 N ALA A 181 8.623 4.603 -5.479 1.00 0.12 N ATOM 1493 CA ALA A 181 9.780 3.881 -5.888 1.00 0.13 C ATOM 1494 C ALA A 181 9.436 2.458 -6.277 1.00 0.14 C ATOM 1495 O ALA A 181 9.792 1.988 -7.357 1.00 0.15 O ATOM 1496 CB ALA A 181 10.773 3.884 -4.758 1.00 0.13 C ATOM 0 H ALA A 181 8.450 4.588 -4.474 1.00 0.12 H new ATOM 0 HA ALA A 181 10.207 4.365 -6.767 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.666 3.334 -5.057 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.044 4.911 -4.515 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.330 3.409 -3.883 1.00 0.13 H new ATOM 1502 N THR A 182 8.735 1.783 -5.382 1.00 0.15 N ATOM 1503 CA THR A 182 8.417 0.381 -5.552 1.00 0.18 C ATOM 1504 C THR A 182 7.704 -0.140 -4.332 1.00 0.17 C ATOM 1505 O THR A 182 7.528 0.573 -3.344 1.00 0.16 O ATOM 1506 CB THR A 182 9.689 -0.451 -5.730 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.396 -1.722 -6.316 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.348 -0.645 -4.377 1.00 0.24 C ATOM 0 H THR A 182 8.373 2.192 -4.521 1.00 0.15 H new ATOM 0 HA THR A 182 7.787 0.295 -6.437 1.00 0.18 H new ATOM 0 HB THR A 182 10.364 0.080 -6.401 1.00 0.22 H new ATOM 0 HG1 THR A 182 10.226 -2.233 -6.420 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.255 -1.237 -4.496 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.602 0.327 -3.953 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.661 -1.164 -3.709 1.00 0.24 H new ATOM 1516 N ILE A 183 7.328 -1.392 -4.417 1.00 0.20 N ATOM 1517 CA ILE A 183 6.705 -2.109 -3.343 1.00 0.18 C ATOM 1518 C ILE A 183 7.101 -3.567 -3.477 1.00 0.20 C ATOM 1519 O ILE A 183 6.889 -4.173 -4.524 1.00 0.28 O ATOM 1520 CB ILE A 183 5.190 -1.996 -3.410 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.780 -0.587 -3.028 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.553 -3.037 -2.512 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.461 0.306 -4.195 1.00 0.20 C ATOM 0 H ILE A 183 7.452 -1.952 -5.260 1.00 0.20 H new ATOM 0 HA ILE A 183 7.030 -1.691 -2.390 1.00 0.18 H new ATOM 0 HB ILE A 183 4.841 -2.188 -4.425 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.907 -0.640 -2.377 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.583 -0.133 -2.448 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.468 -2.949 -2.566 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.853 -4.032 -2.839 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.879 -2.879 -1.484 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.178 1.293 -3.831 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.338 0.394 -4.836 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.636 -0.121 -4.765 1.00 0.20 H new ATOM 1535 N VAL A 184 7.697 -4.124 -2.452 1.00 0.21 N ATOM 1536 CA VAL A 184 8.231 -5.466 -2.551 1.00 0.24 C ATOM 1537 C VAL A 184 7.727 -6.366 -1.455 1.00 0.23 C ATOM 1538 O VAL A 184 7.991 -6.095 -0.291 1.00 0.22 O ATOM 1539 CB VAL A 184 9.749 -5.441 -2.451 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.281 -6.860 -2.452 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.335 -4.615 -3.582 1.00 0.34 C ATOM 0 H VAL A 184 7.826 -3.676 -1.545 1.00 0.21 H new ATOM 0 HA VAL A 184 7.902 -5.852 -3.516 1.00 0.24 H new ATOM 0 HB VAL A 184 10.050 -4.970 -1.515 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.368 -6.841 -2.380 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.871 -7.403 -1.601 1.00 0.33 H new ATOM 0 HG13 VAL A 184 9.987 -7.358 -3.376 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.422 -4.605 -3.500 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.048 -5.052 -4.538 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.957 -3.595 -3.521 1.00 0.34 H new ATOM 1551 N ASN A 185 7.045 -7.453 -1.815 1.00 0.29 N ATOM 1552 CA ASN A 185 6.677 -8.466 -0.830 1.00 0.32 C ATOM 1553 C ASN A 185 7.938 -9.019 -0.221 1.00 0.33 C ATOM 1554 O ASN A 185 8.587 -9.912 -0.750 1.00 0.40 O ATOM 1555 CB ASN A 185 5.820 -9.582 -1.441 1.00 0.44 C ATOM 1556 CG ASN A 185 4.378 -9.165 -1.695 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.739 -9.645 -2.627 1.00 1.64 O ATOM 1558 ND2 ASN A 185 3.847 -8.286 -0.858 1.00 1.57 N ATOM 0 H ASN A 185 6.740 -7.652 -2.768 1.00 0.29 H new ATOM 0 HA ASN A 185 6.063 -8.003 -0.057 1.00 0.32 H new ATOM 0 HB2 ASN A 185 6.269 -9.902 -2.381 1.00 0.44 H new ATOM 0 HB3 ASN A 185 5.829 -10.444 -0.774 1.00 0.44 H new ATOM 0 HD21 ASN A 185 2.879 -7.988 -0.978 1.00 1.57 H new ATOM 0 HD22 ASN A 185 4.406 -7.907 -0.094 1.00 1.57 H new ATOM 1565 N MET A 186 8.222 -8.448 0.924 1.00 0.31 N ATOM 1566 CA MET A 186 9.477 -8.547 1.634 1.00 0.36 C ATOM 1567 C MET A 186 9.889 -9.955 1.875 1.00 0.43 C ATOM 1568 O MET A 186 11.075 -10.273 1.961 1.00 0.53 O ATOM 1569 CB MET A 186 9.287 -7.856 2.962 1.00 0.36 C ATOM 1570 CG MET A 186 9.092 -6.362 2.856 1.00 0.34 C ATOM 1571 SD MET A 186 8.990 -5.572 4.468 1.00 0.94 S ATOM 1572 CE MET A 186 10.532 -6.105 5.206 1.00 1.42 C ATOM 0 H MET A 186 7.543 -7.867 1.416 1.00 0.31 H new ATOM 0 HA MET A 186 10.261 -8.087 1.032 1.00 0.36 H new ATOM 0 HB2 MET A 186 8.423 -8.290 3.465 1.00 0.36 H new ATOM 0 HB3 MET A 186 10.155 -8.055 3.591 1.00 0.36 H new ATOM 0 HG2 MET A 186 9.919 -5.929 2.293 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.181 -6.156 2.294 1.00 0.34 H new ATOM 0 HE1 MET A 186 10.880 -5.348 5.908 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.377 -7.046 5.734 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.279 -6.246 4.425 1.00 1.42 H new ATOM 1582 N GLU A 187 8.897 -10.786 1.972 1.00 0.43 N ATOM 1583 CA GLU A 187 9.089 -12.131 2.363 1.00 0.51 C ATOM 1584 C GLU A 187 9.971 -12.834 1.376 1.00 0.59 C ATOM 1585 O GLU A 187 10.877 -13.591 1.727 1.00 0.68 O ATOM 1586 CB GLU A 187 7.744 -12.798 2.446 1.00 0.50 C ATOM 1587 CG GLU A 187 6.678 -11.849 2.945 1.00 0.42 C ATOM 1588 CD GLU A 187 5.776 -12.436 4.010 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.180 -11.650 4.777 1.00 0.64 O ATOM 1590 OE2 GLU A 187 5.667 -13.675 4.097 1.00 0.67 O ATOM 0 H GLU A 187 7.927 -10.539 1.778 1.00 0.43 H new ATOM 0 HA GLU A 187 9.578 -12.174 3.336 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.464 -13.175 1.462 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.805 -13.659 3.112 1.00 0.50 H new ATOM 0 HG2 GLU A 187 7.160 -10.956 3.344 1.00 0.42 H new ATOM 0 HG3 GLU A 187 6.066 -11.531 2.101 1.00 0.42 H new ATOM 1597 N ASN A 188 9.695 -12.549 0.139 1.00 0.58 N ATOM 1598 CA ASN A 188 10.487 -13.075 -0.943 1.00 0.67 C ATOM 1599 C ASN A 188 11.371 -12.003 -1.547 1.00 0.64 C ATOM 1600 O ASN A 188 12.449 -12.322 -2.049 1.00 0.74 O ATOM 1601 CB ASN A 188 9.600 -13.708 -2.019 1.00 0.73 C ATOM 1602 CG ASN A 188 8.908 -14.973 -1.544 1.00 1.45 C ATOM 1603 OD1 ASN A 188 7.810 -14.926 -0.990 1.00 2.36 O ATOM 1604 ND2 ASN A 188 9.540 -16.113 -1.767 1.00 1.95 N ATOM 0 H ASN A 188 8.922 -11.951 -0.152 1.00 0.58 H new ATOM 0 HA ASN A 188 11.130 -13.852 -0.530 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.848 -12.985 -2.335 1.00 0.73 H new ATOM 0 HB3 ASN A 188 10.207 -13.939 -2.894 1.00 0.73 H new ATOM 0 HD21 ASN A 188 9.118 -16.995 -1.477 1.00 1.95 H new ATOM 0 HD22 ASN A 188 10.449 -16.110 -2.229 1.00 1.95 H new ATOM 1611 N ASN A 189 10.943 -10.737 -1.457 1.00 0.53 N ATOM 1612 CA ASN A 189 11.683 -9.615 -2.031 1.00 0.52 C ATOM 1613 C ASN A 189 12.327 -9.997 -3.362 1.00 0.61 C ATOM 1614 O ASN A 189 13.537 -9.868 -3.556 1.00 0.71 O ATOM 1615 CB ASN A 189 12.713 -9.132 -1.038 1.00 0.59 C ATOM 1616 CG ASN A 189 13.232 -7.725 -1.307 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.331 -7.284 -2.453 1.00 1.80 O ATOM 1618 ND2 ASN A 189 13.569 -7.005 -0.248 1.00 1.74 N ATOM 0 H ASN A 189 10.079 -10.467 -0.987 1.00 0.53 H new ATOM 0 HA ASN A 189 10.987 -8.802 -2.239 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.279 -9.162 -0.039 1.00 0.59 H new ATOM 0 HB3 ASN A 189 13.555 -9.824 -1.040 1.00 0.59 H new ATOM 0 HD21 ASN A 189 13.923 -6.056 -0.368 1.00 1.74 H new ATOM 0 HD22 ASN A 189 13.475 -7.400 0.688 1.00 1.74 H new