USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 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 185 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.4!) USER MOD Set 1.2: A 188 ASN : amide:sc= 0 K(o=-1.9,f=-2.9) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 120 SER OG : rot -87:sc= 1.19 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc=-0.00745 X(o=-0.0074,f=-0.008) USER MOD Single : A 124 MET CE :methyl 140:sc= -0.415 (180deg=-1.92) USER MOD Single : A 126 LYS NZ :NH3+ 147:sc= -1.09 (180deg=-2.71!) USER MOD Single : A 131 THR OG1 : rot -40:sc= 0.262 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 133 TYR OH : rot 64:sc= -5.86! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.23) 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 141:sc= -0.506 (180deg=-3.6!) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.902 USER MOD Single : A 148 GLN : amide:sc= -1.37! C(o=-1.4!,f=-6.2!) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 SER OG : rot 120:sc= 0.0532 USER MOD Single : A 154 MET CE :methyl -156:sc= -0.483 (180deg=-1.4!) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 HIS : no HD1:sc= -0.554 K(o=-0.55,f=0.074) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0.0994 USER MOD Single : A 186 MET CE :methyl -159:sc= -0.139 (180deg=-0.707) USER MOD Single : A 189 ASN : amide:sc= -0.661 X(o=-0.66,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 467 N THR A 118 3.366 8.262 -8.349 1.00 0.27 N ATOM 468 CA THR A 118 4.424 9.217 -8.134 1.00 0.26 C ATOM 469 C THR A 118 4.046 10.106 -6.981 1.00 0.25 C ATOM 470 O THR A 118 3.183 10.976 -7.099 1.00 0.32 O ATOM 471 CB THR A 118 4.696 10.048 -9.394 1.00 0.30 C ATOM 472 OG1 THR A 118 5.381 9.258 -10.375 1.00 0.32 O ATOM 473 CG2 THR A 118 5.472 11.335 -9.108 1.00 0.32 C ATOM 0 HA THR A 118 5.344 8.681 -7.901 1.00 0.26 H new ATOM 0 HB THR A 118 3.724 10.351 -9.784 1.00 0.30 H new ATOM 0 HG1 THR A 118 5.547 9.800 -11.174 1.00 0.32 H new ATOM 0 HG21 THR A 118 5.632 11.878 -10.040 1.00 0.32 H new ATOM 0 HG22 THR A 118 4.902 11.958 -8.419 1.00 0.32 H new ATOM 0 HG23 THR A 118 6.435 11.088 -8.662 1.00 0.32 H new ATOM 481 N ILE A 119 4.648 9.834 -5.848 1.00 0.19 N ATOM 482 CA ILE A 119 4.310 10.518 -4.647 1.00 0.18 C ATOM 483 C ILE A 119 5.558 11.009 -3.938 1.00 0.19 C ATOM 484 O ILE A 119 6.659 10.543 -4.183 1.00 0.20 O ATOM 485 CB ILE A 119 3.622 9.577 -3.690 1.00 0.17 C ATOM 486 CG1 ILE A 119 4.662 8.737 -3.038 1.00 0.14 C ATOM 487 CG2 ILE A 119 2.630 8.694 -4.351 1.00 0.19 C ATOM 488 CD1 ILE A 119 4.151 8.169 -1.804 1.00 0.17 C ATOM 0 H ILE A 119 5.382 9.133 -5.744 1.00 0.19 H new ATOM 0 HA ILE A 119 3.665 11.352 -4.922 1.00 0.18 H new ATOM 0 HB ILE A 119 3.074 10.181 -2.967 1.00 0.17 H new ATOM 0 HG12 ILE A 119 4.970 7.939 -3.713 1.00 0.14 H new ATOM 0 HG13 ILE A 119 5.547 9.338 -2.830 1.00 0.14 H new ATOM 0 HG21 ILE A 119 2.171 8.042 -3.608 1.00 0.19 H new ATOM 0 HG22 ILE A 119 1.860 9.303 -4.825 1.00 0.19 H new ATOM 0 HG23 ILE A 119 3.129 8.088 -5.107 1.00 0.19 H new ATOM 0 HD11 ILE A 119 4.923 7.557 -1.338 1.00 0.17 H new ATOM 0 HD12 ILE A 119 3.866 8.972 -1.125 1.00 0.17 H new ATOM 0 HD13 ILE A 119 3.280 7.551 -2.021 1.00 0.17 H new ATOM 500 N SER A 120 5.336 11.800 -2.945 1.00 0.21 N ATOM 501 CA SER A 120 6.398 12.521 -2.283 1.00 0.28 C ATOM 502 C SER A 120 6.451 12.114 -0.821 1.00 0.28 C ATOM 503 O SER A 120 5.610 11.329 -0.372 1.00 0.25 O ATOM 504 CB SER A 120 6.154 14.023 -2.414 1.00 0.36 C ATOM 505 OG SER A 120 5.739 14.356 -3.727 1.00 1.29 O ATOM 0 H SER A 120 4.409 11.974 -2.557 1.00 0.21 H new ATOM 0 HA SER A 120 7.354 12.281 -2.748 1.00 0.28 H new ATOM 0 HB2 SER A 120 5.394 14.336 -1.698 1.00 0.36 H new ATOM 0 HB3 SER A 120 7.066 14.566 -2.168 1.00 0.36 H new ATOM 0 HG SER A 120 6.526 14.508 -4.290 1.00 1.29 H new ATOM 511 N LYS A 121 7.416 12.643 -0.080 1.00 0.35 N ATOM 512 CA LYS A 121 7.567 12.318 1.329 1.00 0.40 C ATOM 513 C LYS A 121 6.256 12.503 2.095 1.00 0.36 C ATOM 514 O LYS A 121 5.830 11.624 2.838 1.00 0.38 O ATOM 515 CB LYS A 121 8.665 13.181 1.950 1.00 0.50 C ATOM 516 CG LYS A 121 8.459 14.678 1.799 1.00 1.34 C ATOM 517 CD LYS A 121 9.456 15.460 2.636 1.00 1.71 C ATOM 518 CE LYS A 121 9.092 16.934 2.695 1.00 2.46 C ATOM 519 NZ LYS A 121 9.999 17.698 3.590 1.00 3.26 N ATOM 0 H LYS A 121 8.108 13.302 -0.435 1.00 0.35 H new ATOM 0 HA LYS A 121 7.847 11.267 1.401 1.00 0.40 H new ATOM 0 HB2 LYS A 121 8.738 12.944 3.011 1.00 0.50 H new ATOM 0 HB3 LYS A 121 9.619 12.912 1.497 1.00 0.50 H new ATOM 0 HG2 LYS A 121 8.563 14.957 0.751 1.00 1.34 H new ATOM 0 HG3 LYS A 121 7.444 14.940 2.100 1.00 1.34 H new ATOM 0 HD2 LYS A 121 9.487 15.050 3.646 1.00 1.71 H new ATOM 0 HD3 LYS A 121 10.455 15.347 2.215 1.00 1.71 H new ATOM 0 HE2 LYS A 121 9.132 17.357 1.691 1.00 2.46 H new ATOM 0 HE3 LYS A 121 8.065 17.040 3.044 1.00 2.46 H new ATOM 0 HZ1 LYS A 121 9.715 18.698 3.601 1.00 3.26 H new ATOM 0 HZ2 LYS A 121 9.942 17.312 4.554 1.00 3.26 H new ATOM 0 HZ3 LYS A 121 10.976 17.620 3.243 1.00 3.26 H new ATOM 533 N ASN A 122 5.611 13.636 1.892 1.00 0.37 N ATOM 534 CA ASN A 122 4.385 13.948 2.592 1.00 0.37 C ATOM 535 C ASN A 122 3.205 13.327 1.888 1.00 0.30 C ATOM 536 O ASN A 122 2.140 13.156 2.481 1.00 0.29 O ATOM 537 CB ASN A 122 4.217 15.458 2.704 1.00 0.48 C ATOM 538 CG ASN A 122 2.979 15.871 3.486 1.00 1.22 C ATOM 539 OD1 ASN A 122 1.907 16.061 2.913 1.00 2.17 O ATOM 540 ND2 ASN A 122 3.120 16.024 4.793 1.00 1.64 N ATOM 0 H ASN A 122 5.921 14.359 1.242 1.00 0.37 H new ATOM 0 HA ASN A 122 4.436 13.531 3.598 1.00 0.37 H new ATOM 0 HB2 ASN A 122 5.099 15.880 3.185 1.00 0.48 H new ATOM 0 HB3 ASN A 122 4.165 15.886 1.703 1.00 0.48 H new ATOM 0 HD21 ASN A 122 2.323 16.309 5.362 1.00 1.64 H new ATOM 0 HD22 ASN A 122 4.026 15.857 5.231 1.00 1.64 H new ATOM 547 N GLU A 123 3.390 12.953 0.627 1.00 0.27 N ATOM 548 CA GLU A 123 2.310 12.398 -0.114 1.00 0.25 C ATOM 549 C GLU A 123 1.949 11.050 0.413 1.00 0.21 C ATOM 550 O GLU A 123 0.845 10.602 0.261 1.00 0.26 O ATOM 551 CB GLU A 123 2.574 12.349 -1.588 1.00 0.27 C ATOM 552 CG GLU A 123 1.637 13.245 -2.337 1.00 0.30 C ATOM 553 CD GLU A 123 1.692 13.047 -3.830 1.00 0.37 C ATOM 554 OE1 GLU A 123 2.686 13.475 -4.452 1.00 0.45 O ATOM 555 OE2 GLU A 123 0.751 12.457 -4.386 1.00 0.50 O ATOM 0 H GLU A 123 4.271 13.030 0.120 1.00 0.27 H new ATOM 0 HA GLU A 123 1.460 13.067 0.020 1.00 0.25 H new ATOM 0 HB2 GLU A 123 3.603 12.648 -1.786 1.00 0.27 H new ATOM 0 HB3 GLU A 123 2.466 11.325 -1.945 1.00 0.27 H new ATOM 0 HG2 GLU A 123 0.619 13.066 -1.991 1.00 0.30 H new ATOM 0 HG3 GLU A 123 1.875 14.283 -2.106 1.00 0.30 H new ATOM 562 N MET A 124 2.862 10.422 1.069 1.00 0.19 N ATOM 563 CA MET A 124 2.547 9.153 1.672 1.00 0.20 C ATOM 564 C MET A 124 1.996 9.365 3.051 1.00 0.17 C ATOM 565 O MET A 124 1.193 8.581 3.541 1.00 0.16 O ATOM 566 CB MET A 124 3.747 8.215 1.686 1.00 0.27 C ATOM 567 CG MET A 124 4.944 8.706 2.497 1.00 1.21 C ATOM 568 SD MET A 124 4.765 8.429 4.273 1.00 2.28 S ATOM 569 CE MET A 124 6.337 9.038 4.874 1.00 3.06 C ATOM 0 H MET A 124 3.818 10.749 1.206 1.00 0.19 H new ATOM 0 HA MET A 124 1.784 8.667 1.064 1.00 0.20 H new ATOM 0 HB2 MET A 124 3.430 7.251 2.083 1.00 0.27 H new ATOM 0 HB3 MET A 124 4.069 8.046 0.658 1.00 0.27 H new ATOM 0 HG2 MET A 124 5.844 8.201 2.146 1.00 1.21 H new ATOM 0 HG3 MET A 124 5.085 9.771 2.315 1.00 1.21 H new ATOM 0 HE1 MET A 124 6.183 9.590 5.801 1.00 3.06 H new ATOM 0 HE2 MET A 124 7.006 8.198 5.059 1.00 3.06 H new ATOM 0 HE3 MET A 124 6.781 9.698 4.128 1.00 3.06 H new ATOM 579 N VAL A 125 2.405 10.465 3.639 1.00 0.20 N ATOM 580 CA VAL A 125 2.031 10.810 4.985 1.00 0.22 C ATOM 581 C VAL A 125 0.545 11.025 5.109 1.00 0.21 C ATOM 582 O VAL A 125 -0.050 10.820 6.156 1.00 0.23 O ATOM 583 CB VAL A 125 2.773 12.074 5.420 1.00 0.29 C ATOM 584 CG1 VAL A 125 1.938 12.907 6.376 1.00 0.35 C ATOM 585 CG2 VAL A 125 4.104 11.693 6.032 1.00 0.32 C ATOM 0 H VAL A 125 3.012 11.150 3.190 1.00 0.20 H new ATOM 0 HA VAL A 125 2.306 9.978 5.633 1.00 0.22 H new ATOM 0 HB VAL A 125 2.956 12.694 4.543 1.00 0.29 H new ATOM 0 HG11 VAL A 125 2.496 13.798 6.665 1.00 0.35 H new ATOM 0 HG12 VAL A 125 1.010 13.203 5.886 1.00 0.35 H new ATOM 0 HG13 VAL A 125 1.707 12.319 7.265 1.00 0.35 H new ATOM 0 HG21 VAL A 125 4.633 12.594 6.342 1.00 0.32 H new ATOM 0 HG22 VAL A 125 3.936 11.054 6.899 1.00 0.32 H new ATOM 0 HG23 VAL A 125 4.702 11.156 5.296 1.00 0.32 H new ATOM 595 N LYS A 126 -0.027 11.500 4.052 1.00 0.20 N ATOM 596 CA LYS A 126 -1.457 11.570 3.945 1.00 0.20 C ATOM 597 C LYS A 126 -2.013 10.205 3.609 1.00 0.16 C ATOM 598 O LYS A 126 -3.017 9.804 4.150 1.00 0.19 O ATOM 599 CB LYS A 126 -1.796 12.535 2.847 1.00 0.24 C ATOM 600 CG LYS A 126 -1.235 12.044 1.540 1.00 0.32 C ATOM 601 CD LYS A 126 -0.506 13.059 0.725 1.00 0.39 C ATOM 602 CE LYS A 126 -1.333 14.283 0.373 1.00 0.59 C ATOM 603 NZ LYS A 126 -1.418 15.278 1.472 1.00 1.51 N ATOM 0 H LYS A 126 0.477 11.851 3.238 1.00 0.20 H new ATOM 0 HA LYS A 126 -1.889 11.901 4.889 1.00 0.20 H new ATOM 0 HB2 LYS A 126 -2.878 12.645 2.770 1.00 0.24 H new ATOM 0 HB3 LYS A 126 -1.391 13.520 3.079 1.00 0.24 H new ATOM 0 HG2 LYS A 126 -0.557 11.215 1.745 1.00 0.32 H new ATOM 0 HG3 LYS A 126 -2.054 11.645 0.942 1.00 0.32 H new ATOM 0 HD2 LYS A 126 0.381 13.378 1.271 1.00 0.39 H new ATOM 0 HD3 LYS A 126 -0.161 12.590 -0.196 1.00 0.39 H new ATOM 0 HE2 LYS A 126 -0.903 14.761 -0.507 1.00 0.59 H new ATOM 0 HE3 LYS A 126 -2.340 13.965 0.103 1.00 0.59 H new ATOM 0 HZ1 LYS A 126 -1.468 16.236 1.070 1.00 1.51 H new ATOM 0 HZ2 LYS A 126 -2.270 15.096 2.040 1.00 1.51 H new ATOM 0 HZ3 LYS A 126 -0.576 15.200 2.077 1.00 1.51 H new ATOM 617 N LEU A 127 -1.337 9.500 2.711 1.00 0.15 N ATOM 618 CA LEU A 127 -1.815 8.248 2.197 1.00 0.19 C ATOM 619 C LEU A 127 -2.040 7.223 3.226 1.00 0.20 C ATOM 620 O LEU A 127 -3.025 6.532 3.121 1.00 0.24 O ATOM 621 CB LEU A 127 -0.918 7.719 1.133 1.00 0.25 C ATOM 622 CG LEU A 127 -1.466 8.048 -0.238 1.00 0.32 C ATOM 623 CD1 LEU A 127 -0.413 8.688 -1.131 1.00 0.37 C ATOM 624 CD2 LEU A 127 -2.089 6.818 -0.850 1.00 0.40 C ATOM 0 H LEU A 127 -0.439 9.792 2.325 1.00 0.15 H new ATOM 0 HA LEU A 127 -2.791 8.473 1.768 1.00 0.19 H new ATOM 0 HB2 LEU A 127 0.079 8.146 1.244 1.00 0.25 H new ATOM 0 HB3 LEU A 127 -0.815 6.639 1.240 1.00 0.25 H new ATOM 0 HG LEU A 127 -2.251 8.797 -0.133 1.00 0.32 H new ATOM 0 HD11 LEU A 127 -0.848 8.908 -2.106 1.00 0.37 H new ATOM 0 HD12 LEU A 127 -0.061 9.613 -0.673 1.00 0.37 H new ATOM 0 HD13 LEU A 127 0.425 8.002 -1.254 1.00 0.37 H new ATOM 0 HD21 LEU A 127 -2.482 7.062 -1.837 1.00 0.40 H new ATOM 0 HD22 LEU A 127 -1.335 6.036 -0.942 1.00 0.40 H new ATOM 0 HD23 LEU A 127 -2.901 6.466 -0.213 1.00 0.40 H new ATOM 636 N LEU A 128 -1.191 7.089 4.221 1.00 0.18 N ATOM 637 CA LEU A 128 -1.520 6.108 5.206 1.00 0.24 C ATOM 638 C LEU A 128 -2.826 6.509 5.904 1.00 0.26 C ATOM 639 O LEU A 128 -3.705 5.683 6.124 1.00 0.32 O ATOM 640 CB LEU A 128 -0.377 5.773 6.205 1.00 0.28 C ATOM 641 CG LEU A 128 0.471 6.898 6.779 1.00 0.22 C ATOM 642 CD1 LEU A 128 1.697 7.092 5.959 1.00 0.19 C ATOM 643 CD2 LEU A 128 -0.282 8.162 6.825 1.00 0.21 C ATOM 0 H LEU A 128 -0.326 7.612 4.360 1.00 0.18 H new ATOM 0 HA LEU A 128 -1.667 5.164 4.680 1.00 0.24 H new ATOM 0 HB2 LEU A 128 -0.823 5.240 7.044 1.00 0.28 H new ATOM 0 HB3 LEU A 128 0.298 5.077 5.707 1.00 0.28 H new ATOM 0 HG LEU A 128 0.748 6.616 7.795 1.00 0.22 H new ATOM 0 HD11 LEU A 128 2.294 7.900 6.382 1.00 0.19 H new ATOM 0 HD12 LEU A 128 2.282 6.172 5.956 1.00 0.19 H new ATOM 0 HD13 LEU A 128 1.415 7.346 4.937 1.00 0.19 H new ATOM 0 HD21 LEU A 128 0.350 8.947 7.240 1.00 0.21 H new ATOM 0 HD22 LEU A 128 -0.590 8.439 5.817 1.00 0.21 H new ATOM 0 HD23 LEU A 128 -1.164 8.037 7.453 1.00 0.21 H new ATOM 655 N GLU A 129 -2.987 7.800 6.140 1.00 0.23 N ATOM 656 CA GLU A 129 -4.187 8.334 6.750 1.00 0.28 C ATOM 657 C GLU A 129 -5.338 8.107 5.795 1.00 0.25 C ATOM 658 O GLU A 129 -6.481 7.854 6.179 1.00 0.31 O ATOM 659 CB GLU A 129 -4.031 9.838 6.945 1.00 0.32 C ATOM 660 CG GLU A 129 -2.691 10.238 7.512 1.00 0.44 C ATOM 661 CD GLU A 129 -2.585 11.732 7.747 1.00 1.70 C ATOM 662 OE1 GLU A 129 -2.841 12.506 6.799 1.00 2.51 O ATOM 663 OE2 GLU A 129 -2.224 12.145 8.873 1.00 2.23 O ATOM 0 H GLU A 129 -2.287 8.506 5.913 1.00 0.23 H new ATOM 0 HA GLU A 129 -4.364 7.849 7.710 1.00 0.28 H new ATOM 0 HB2 GLU A 129 -4.174 10.337 5.987 1.00 0.32 H new ATOM 0 HB3 GLU A 129 -4.818 10.193 7.610 1.00 0.32 H new ATOM 0 HG2 GLU A 129 -2.526 9.713 8.453 1.00 0.44 H new ATOM 0 HG3 GLU A 129 -1.902 9.924 6.829 1.00 0.44 H new ATOM 670 N ALA A 130 -4.964 8.167 4.531 1.00 0.21 N ATOM 671 CA ALA A 130 -5.867 8.202 3.422 1.00 0.25 C ATOM 672 C ALA A 130 -6.209 6.793 2.965 1.00 0.28 C ATOM 673 O ALA A 130 -7.080 6.586 2.117 1.00 0.33 O ATOM 674 CB ALA A 130 -5.201 8.985 2.295 1.00 0.26 C ATOM 0 H ALA A 130 -3.984 8.193 4.250 1.00 0.21 H new ATOM 0 HA ALA A 130 -6.799 8.686 3.714 1.00 0.25 H new ATOM 0 HB1 ALA A 130 -5.870 9.026 1.436 1.00 0.26 H new ATOM 0 HB2 ALA A 130 -4.983 9.998 2.635 1.00 0.26 H new ATOM 0 HB3 ALA A 130 -4.273 8.491 2.008 1.00 0.26 H new ATOM 680 N THR A 131 -5.514 5.827 3.546 1.00 0.26 N ATOM 681 CA THR A 131 -5.638 4.447 3.152 1.00 0.29 C ATOM 682 C THR A 131 -6.075 3.623 4.354 1.00 0.29 C ATOM 683 O THR A 131 -6.242 2.404 4.281 1.00 0.33 O ATOM 684 CB THR A 131 -4.313 3.917 2.568 1.00 0.30 C ATOM 685 OG1 THR A 131 -4.503 2.630 1.965 1.00 0.36 O ATOM 686 CG2 THR A 131 -3.268 3.819 3.655 1.00 0.28 C ATOM 0 H THR A 131 -4.850 5.986 4.304 1.00 0.26 H new ATOM 0 HA THR A 131 -6.391 4.364 2.368 1.00 0.29 H new ATOM 0 HB THR A 131 -3.974 4.616 1.803 1.00 0.30 H new ATOM 0 HG1 THR A 131 -5.106 2.094 2.521 1.00 0.36 H new ATOM 0 HG21 THR A 131 -2.336 3.444 3.231 1.00 0.28 H new ATOM 0 HG22 THR A 131 -3.099 4.805 4.087 1.00 0.28 H new ATOM 0 HG23 THR A 131 -3.614 3.137 4.432 1.00 0.28 H new ATOM 694 N GLN A 132 -6.253 4.342 5.456 1.00 0.25 N ATOM 695 CA GLN A 132 -6.610 3.779 6.750 1.00 0.25 C ATOM 696 C GLN A 132 -5.499 2.911 7.319 1.00 0.21 C ATOM 697 O GLN A 132 -5.696 1.741 7.643 1.00 0.23 O ATOM 698 CB GLN A 132 -7.918 2.998 6.701 1.00 0.32 C ATOM 699 CG GLN A 132 -9.125 3.849 6.349 1.00 0.41 C ATOM 700 CD GLN A 132 -10.426 3.082 6.460 1.00 1.38 C ATOM 701 OE1 GLN A 132 -10.472 1.869 6.248 1.00 2.19 O ATOM 702 NE2 GLN A 132 -11.492 3.783 6.804 1.00 2.15 N ATOM 0 H GLN A 132 -6.150 5.357 5.474 1.00 0.25 H new ATOM 0 HA GLN A 132 -6.754 4.629 7.417 1.00 0.25 H new ATOM 0 HB2 GLN A 132 -7.824 2.196 5.969 1.00 0.32 H new ATOM 0 HB3 GLN A 132 -8.086 2.528 7.670 1.00 0.32 H new ATOM 0 HG2 GLN A 132 -9.160 4.715 7.009 1.00 0.41 H new ATOM 0 HG3 GLN A 132 -9.015 4.227 5.333 1.00 0.41 H new ATOM 0 HE21 GLN A 132 -11.411 4.786 6.971 1.00 2.15 H new ATOM 0 HE22 GLN A 132 -12.396 3.321 6.903 1.00 2.15 H new ATOM 711 N TYR A 133 -4.343 3.517 7.453 1.00 0.17 N ATOM 712 CA TYR A 133 -3.175 2.886 7.978 1.00 0.15 C ATOM 713 C TYR A 133 -2.369 3.955 8.658 1.00 0.15 C ATOM 714 O TYR A 133 -2.403 5.110 8.278 1.00 0.18 O ATOM 715 CB TYR A 133 -2.370 2.159 6.895 1.00 0.16 C ATOM 716 CG TYR A 133 -0.873 2.451 6.869 1.00 0.17 C ATOM 717 CD1 TYR A 133 -0.042 2.289 7.986 1.00 0.15 C ATOM 718 CD2 TYR A 133 -0.277 2.866 5.693 1.00 0.22 C ATOM 719 CE1 TYR A 133 1.284 2.530 7.914 1.00 0.18 C ATOM 720 CE2 TYR A 133 1.068 3.107 5.625 1.00 0.25 C ATOM 721 CZ TYR A 133 1.843 2.933 6.741 1.00 0.19 C ATOM 722 OH TYR A 133 3.181 3.157 6.684 1.00 0.27 O ATOM 0 H TYR A 133 -4.194 4.491 7.189 1.00 0.17 H new ATOM 0 HA TYR A 133 -3.454 2.108 8.689 1.00 0.15 H new ATOM 0 HB2 TYR A 133 -2.509 1.086 7.025 1.00 0.16 H new ATOM 0 HB3 TYR A 133 -2.788 2.419 5.923 1.00 0.16 H new ATOM 0 HD1 TYR A 133 -0.471 1.965 8.923 1.00 0.15 H new ATOM 0 HD2 TYR A 133 -0.885 3.003 4.811 1.00 0.22 H new ATOM 0 HE1 TYR A 133 1.903 2.403 8.790 1.00 0.18 H new ATOM 0 HE2 TYR A 133 1.516 3.432 4.698 1.00 0.25 H new ATOM 0 HH TYR A 133 3.660 2.318 6.849 1.00 0.27 H new ATOM 732 N ARG A 134 -1.697 3.591 9.697 1.00 0.15 N ATOM 733 CA ARG A 134 -0.989 4.546 10.480 1.00 0.18 C ATOM 734 C ARG A 134 0.262 3.880 10.999 1.00 0.19 C ATOM 735 O ARG A 134 0.320 2.653 11.012 1.00 0.18 O ATOM 736 CB ARG A 134 -1.888 4.981 11.620 1.00 0.18 C ATOM 737 CG ARG A 134 -3.360 5.045 11.233 1.00 0.22 C ATOM 738 CD ARG A 134 -4.003 3.668 11.257 1.00 0.25 C ATOM 739 NE ARG A 134 -4.645 3.362 12.537 1.00 0.28 N ATOM 740 CZ ARG A 134 -4.828 2.126 13.009 1.00 0.44 C ATOM 741 NH1 ARG A 134 -4.418 1.073 12.311 1.00 0.69 N ATOM 742 NH2 ARG A 134 -5.420 1.949 14.183 1.00 0.49 N ATOM 0 H ARG A 134 -1.623 2.629 10.026 1.00 0.15 H new ATOM 0 HA ARG A 134 -0.710 5.425 9.898 1.00 0.18 H new ATOM 0 HB2 ARG A 134 -1.768 4.289 12.453 1.00 0.18 H new ATOM 0 HB3 ARG A 134 -1.569 5.962 11.972 1.00 0.18 H new ATOM 0 HG2 ARG A 134 -3.889 5.707 11.919 1.00 0.22 H new ATOM 0 HG3 ARG A 134 -3.457 5.476 10.236 1.00 0.22 H new ATOM 0 HD2 ARG A 134 -4.744 3.604 10.460 1.00 0.25 H new ATOM 0 HD3 ARG A 134 -3.244 2.914 11.047 1.00 0.25 H new ATOM 0 HE ARG A 134 -4.974 4.143 13.105 1.00 0.28 H new ATOM 0 HH11 ARG A 134 -3.960 1.206 11.409 1.00 0.69 H new ATOM 0 HH12 ARG A 134 -4.561 0.132 12.677 1.00 0.69 H new ATOM 0 HH21 ARG A 134 -5.734 2.756 14.723 1.00 0.49 H new ATOM 0 HH22 ARG A 134 -5.561 1.006 14.546 1.00 0.49 H new ATOM 756 N GLN A 135 1.250 4.662 11.402 1.00 0.22 N ATOM 757 CA GLN A 135 2.503 4.112 11.881 1.00 0.25 C ATOM 758 C GLN A 135 2.307 3.004 12.864 1.00 0.24 C ATOM 759 O GLN A 135 1.357 2.989 13.653 1.00 0.30 O ATOM 760 CB GLN A 135 3.354 5.184 12.533 1.00 0.35 C ATOM 761 CG GLN A 135 4.649 4.654 13.115 1.00 0.88 C ATOM 762 CD GLN A 135 5.769 5.670 13.069 1.00 1.36 C ATOM 763 OE1 GLN A 135 5.532 6.875 13.141 1.00 1.87 O ATOM 764 NE2 GLN A 135 6.992 5.196 12.938 1.00 1.96 N ATOM 0 H GLN A 135 1.206 5.681 11.406 1.00 0.22 H new ATOM 0 HA GLN A 135 3.007 3.712 11.001 1.00 0.25 H new ATOM 0 HB2 GLN A 135 3.584 5.953 11.796 1.00 0.35 H new ATOM 0 HB3 GLN A 135 2.778 5.663 13.325 1.00 0.35 H new ATOM 0 HG2 GLN A 135 4.481 4.351 14.149 1.00 0.88 H new ATOM 0 HG3 GLN A 135 4.951 3.762 12.566 1.00 0.88 H new ATOM 0 HE21 GLN A 135 7.145 4.189 12.882 1.00 1.96 H new ATOM 0 HE22 GLN A 135 7.785 5.836 12.893 1.00 1.96 H new ATOM 773 N VAL A 136 3.237 2.084 12.821 1.00 0.23 N ATOM 774 CA VAL A 136 3.102 0.900 13.575 1.00 0.24 C ATOM 775 C VAL A 136 4.415 0.477 14.218 1.00 0.27 C ATOM 776 O VAL A 136 5.498 0.789 13.720 1.00 0.27 O ATOM 777 CB VAL A 136 2.531 -0.215 12.667 1.00 0.20 C ATOM 778 CG1 VAL A 136 2.912 -1.604 13.118 1.00 0.23 C ATOM 779 CG2 VAL A 136 1.033 -0.096 12.565 1.00 0.20 C ATOM 0 H VAL A 136 4.091 2.148 12.266 1.00 0.23 H new ATOM 0 HA VAL A 136 2.410 1.087 14.396 1.00 0.24 H new ATOM 0 HB VAL A 136 2.979 -0.070 11.684 1.00 0.20 H new ATOM 0 HG11 VAL A 136 2.480 -2.339 12.439 1.00 0.23 H new ATOM 0 HG12 VAL A 136 3.998 -1.702 13.116 1.00 0.23 H new ATOM 0 HG13 VAL A 136 2.534 -1.776 14.126 1.00 0.23 H new ATOM 0 HG21 VAL A 136 0.648 -0.888 11.923 1.00 0.20 H new ATOM 0 HG22 VAL A 136 0.592 -0.188 13.558 1.00 0.20 H new ATOM 0 HG23 VAL A 136 0.773 0.874 12.141 1.00 0.20 H new ATOM 789 N SER A 137 4.296 -0.211 15.338 1.00 0.31 N ATOM 790 CA SER A 137 5.426 -0.811 16.017 1.00 0.35 C ATOM 791 C SER A 137 6.129 -1.813 15.137 1.00 0.33 C ATOM 792 O SER A 137 7.346 -1.779 14.953 1.00 0.35 O ATOM 793 CB SER A 137 4.889 -1.544 17.215 1.00 0.39 C ATOM 794 OG SER A 137 4.600 -0.658 18.283 1.00 0.73 O ATOM 0 H SER A 137 3.403 -0.370 15.805 1.00 0.31 H new ATOM 0 HA SER A 137 6.136 -0.030 16.288 1.00 0.35 H new ATOM 0 HB2 SER A 137 3.985 -2.085 16.936 1.00 0.39 H new ATOM 0 HB3 SER A 137 5.616 -2.286 17.544 1.00 0.39 H new ATOM 0 HG SER A 137 4.251 -1.167 19.045 1.00 0.73 H new ATOM 800 N LYS A 138 5.332 -2.686 14.587 1.00 0.30 N ATOM 801 CA LYS A 138 5.806 -3.735 13.742 1.00 0.30 C ATOM 802 C LYS A 138 4.678 -4.200 12.874 1.00 0.27 C ATOM 803 O LYS A 138 3.642 -4.683 13.343 1.00 0.28 O ATOM 804 CB LYS A 138 6.340 -4.858 14.567 1.00 0.35 C ATOM 805 CG LYS A 138 5.347 -5.335 15.576 1.00 0.37 C ATOM 806 CD LYS A 138 5.827 -6.592 16.278 1.00 0.43 C ATOM 807 CE LYS A 138 6.151 -7.686 15.269 1.00 0.44 C ATOM 808 NZ LYS A 138 6.690 -8.909 15.916 1.00 0.51 N ATOM 0 H LYS A 138 4.320 -2.685 14.718 1.00 0.30 H new ATOM 0 HA LYS A 138 6.617 -3.369 13.112 1.00 0.30 H new ATOM 0 HB2 LYS A 138 6.620 -5.685 13.915 1.00 0.35 H new ATOM 0 HB3 LYS A 138 7.247 -4.533 15.077 1.00 0.35 H new ATOM 0 HG2 LYS A 138 5.170 -4.551 16.312 1.00 0.37 H new ATOM 0 HG3 LYS A 138 4.394 -5.533 15.085 1.00 0.37 H new ATOM 0 HD2 LYS A 138 6.712 -6.366 16.873 1.00 0.43 H new ATOM 0 HD3 LYS A 138 5.060 -6.944 16.968 1.00 0.43 H new ATOM 0 HE2 LYS A 138 5.250 -7.940 14.711 1.00 0.44 H new ATOM 0 HE3 LYS A 138 6.877 -7.309 14.549 1.00 0.44 H new ATOM 0 HZ1 LYS A 138 6.895 -9.624 15.190 1.00 0.51 H new ATOM 0 HZ2 LYS A 138 7.564 -8.674 16.428 1.00 0.51 H new ATOM 0 HZ3 LYS A 138 5.988 -9.286 16.585 1.00 0.51 H new ATOM 822 N MET A 139 4.867 -4.010 11.613 1.00 0.25 N ATOM 823 CA MET A 139 3.802 -4.137 10.681 1.00 0.25 C ATOM 824 C MET A 139 3.513 -5.591 10.375 1.00 0.26 C ATOM 825 O MET A 139 4.243 -6.287 9.670 1.00 0.30 O ATOM 826 CB MET A 139 4.144 -3.338 9.432 1.00 0.33 C ATOM 827 CG MET A 139 5.181 -3.988 8.544 1.00 0.70 C ATOM 828 SD MET A 139 6.748 -4.246 9.408 1.00 2.16 S ATOM 829 CE MET A 139 7.309 -5.762 8.651 1.00 2.71 C ATOM 0 H MET A 139 5.766 -3.762 11.200 1.00 0.25 H new ATOM 0 HA MET A 139 2.886 -3.732 11.110 1.00 0.25 H new ATOM 0 HB2 MET A 139 3.233 -3.182 8.854 1.00 0.33 H new ATOM 0 HB3 MET A 139 4.504 -2.354 9.731 1.00 0.33 H new ATOM 0 HG2 MET A 139 4.803 -4.945 8.186 1.00 0.70 H new ATOM 0 HG3 MET A 139 5.349 -3.364 7.667 1.00 0.70 H new ATOM 0 HE1 MET A 139 8.387 -5.714 8.496 1.00 2.71 H new ATOM 0 HE2 MET A 139 7.073 -6.603 9.303 1.00 2.71 H new ATOM 0 HE3 MET A 139 6.810 -5.896 7.691 1.00 2.71 H new ATOM 839 N THR A 140 2.468 -6.060 10.983 1.00 0.25 N ATOM 840 CA THR A 140 1.838 -7.255 10.533 1.00 0.26 C ATOM 841 C THR A 140 0.423 -7.265 11.025 1.00 0.27 C ATOM 842 O THR A 140 0.113 -7.713 12.125 1.00 0.30 O ATOM 843 CB THR A 140 2.609 -8.477 11.047 1.00 0.31 C ATOM 844 OG1 THR A 140 1.924 -9.694 10.720 1.00 0.35 O ATOM 845 CG2 THR A 140 2.839 -8.369 12.547 1.00 0.34 C ATOM 0 H THR A 140 2.033 -5.627 11.798 1.00 0.25 H new ATOM 0 HA THR A 140 1.837 -7.295 9.444 1.00 0.26 H new ATOM 0 HB THR A 140 3.580 -8.500 10.552 1.00 0.31 H new ATOM 0 HG1 THR A 140 2.436 -10.458 11.057 1.00 0.35 H new ATOM 0 HG21 THR A 140 3.387 -9.244 12.895 1.00 0.34 H new ATOM 0 HG22 THR A 140 3.416 -7.470 12.763 1.00 0.34 H new ATOM 0 HG23 THR A 140 1.878 -8.315 13.059 1.00 0.34 H new ATOM 853 N ARG A 141 -0.438 -6.821 10.150 1.00 0.25 N ATOM 854 CA ARG A 141 -1.857 -6.894 10.337 1.00 0.28 C ATOM 855 C ARG A 141 -2.475 -6.975 8.968 1.00 0.30 C ATOM 856 O ARG A 141 -1.781 -6.751 7.981 1.00 0.45 O ATOM 857 CB ARG A 141 -2.372 -5.645 11.058 1.00 0.30 C ATOM 858 CG ARG A 141 -1.501 -5.185 12.207 1.00 0.38 C ATOM 859 CD ARG A 141 -1.745 -6.046 13.415 1.00 1.01 C ATOM 860 NE ARG A 141 -1.340 -5.393 14.661 1.00 1.20 N ATOM 861 CZ ARG A 141 -0.578 -5.968 15.592 1.00 1.74 C ATOM 862 NH1 ARG A 141 -0.118 -7.200 15.415 1.00 2.38 N ATOM 863 NH2 ARG A 141 -0.278 -5.308 16.703 1.00 1.97 N ATOM 0 H ARG A 141 -0.163 -6.389 9.268 1.00 0.25 H new ATOM 0 HA ARG A 141 -2.116 -7.761 10.945 1.00 0.28 H new ATOM 0 HB2 ARG A 141 -2.459 -4.833 10.336 1.00 0.30 H new ATOM 0 HB3 ARG A 141 -3.375 -5.845 11.435 1.00 0.30 H new ATOM 0 HG2 ARG A 141 -0.451 -5.236 11.921 1.00 0.38 H new ATOM 0 HG3 ARG A 141 -1.717 -4.143 12.443 1.00 0.38 H new ATOM 0 HD2 ARG A 141 -2.804 -6.299 13.469 1.00 1.01 H new ATOM 0 HD3 ARG A 141 -1.199 -6.983 13.306 1.00 1.01 H new ATOM 0 HE ARG A 141 -1.661 -4.439 14.827 1.00 1.20 H new ATOM 0 HH11 ARG A 141 -0.347 -7.712 14.563 1.00 2.38 H new ATOM 0 HH12 ARG A 141 0.464 -7.635 16.131 1.00 2.38 H new ATOM 0 HH21 ARG A 141 -0.630 -4.361 16.845 1.00 1.97 H new ATOM 0 HH22 ARG A 141 0.305 -5.747 17.416 1.00 1.97 H new ATOM 877 N PRO A 142 -3.755 -7.273 8.840 1.00 0.36 N ATOM 878 CA PRO A 142 -4.421 -6.980 7.600 1.00 0.39 C ATOM 879 C PRO A 142 -4.814 -5.505 7.560 1.00 0.32 C ATOM 880 O PRO A 142 -5.669 -5.055 8.325 1.00 0.37 O ATOM 881 CB PRO A 142 -5.651 -7.881 7.634 1.00 0.53 C ATOM 882 CG PRO A 142 -5.936 -8.104 9.087 1.00 0.79 C ATOM 883 CD PRO A 142 -4.629 -7.933 9.825 1.00 0.55 C ATOM 0 HA PRO A 142 -3.804 -7.156 6.719 1.00 0.39 H new ATOM 0 HB2 PRO A 142 -6.498 -7.410 7.135 1.00 0.53 H new ATOM 0 HB3 PRO A 142 -5.462 -8.824 7.121 1.00 0.53 H new ATOM 0 HG2 PRO A 142 -6.679 -7.392 9.448 1.00 0.79 H new ATOM 0 HG3 PRO A 142 -6.344 -9.101 9.251 1.00 0.79 H new ATOM 0 HD2 PRO A 142 -4.752 -7.325 10.722 1.00 0.55 H new ATOM 0 HD3 PRO A 142 -4.221 -8.892 10.143 1.00 0.55 H new ATOM 891 N GLY A 143 -4.165 -4.751 6.688 1.00 0.27 N ATOM 892 CA GLY A 143 -4.573 -3.373 6.456 1.00 0.27 C ATOM 893 C GLY A 143 -4.008 -2.376 7.464 1.00 0.26 C ATOM 894 O GLY A 143 -4.549 -1.284 7.625 1.00 0.38 O ATOM 0 H GLY A 143 -3.366 -5.062 6.136 1.00 0.27 H new ATOM 0 HA2 GLY A 143 -4.261 -3.077 5.455 1.00 0.27 H new ATOM 0 HA3 GLY A 143 -5.661 -3.319 6.479 1.00 0.27 H new ATOM 898 N GLU A 144 -2.927 -2.746 8.142 1.00 0.17 N ATOM 899 CA GLU A 144 -2.221 -1.828 9.043 1.00 0.14 C ATOM 900 C GLU A 144 -0.742 -1.996 8.816 1.00 0.11 C ATOM 901 O GLU A 144 -0.243 -3.122 8.791 1.00 0.12 O ATOM 902 CB GLU A 144 -2.558 -2.117 10.502 1.00 0.18 C ATOM 903 CG GLU A 144 -4.041 -2.015 10.813 1.00 0.40 C ATOM 904 CD GLU A 144 -4.366 -2.379 12.241 1.00 0.84 C ATOM 905 OE1 GLU A 144 -4.180 -1.527 13.130 1.00 1.49 O ATOM 906 OE2 GLU A 144 -4.809 -3.522 12.482 1.00 1.44 O ATOM 0 H GLU A 144 -2.516 -3.678 8.088 1.00 0.17 H new ATOM 0 HA GLU A 144 -2.530 -0.805 8.831 1.00 0.14 H new ATOM 0 HB2 GLU A 144 -2.210 -3.118 10.756 1.00 0.18 H new ATOM 0 HB3 GLU A 144 -2.013 -1.419 11.138 1.00 0.18 H new ATOM 0 HG2 GLU A 144 -4.380 -0.998 10.616 1.00 0.40 H new ATOM 0 HG3 GLU A 144 -4.594 -2.671 10.141 1.00 0.40 H new ATOM 913 N PHE A 145 -0.027 -0.895 8.660 1.00 0.10 N ATOM 914 CA PHE A 145 1.326 -0.983 8.135 1.00 0.10 C ATOM 915 C PHE A 145 2.269 -0.130 8.959 1.00 0.09 C ATOM 916 O PHE A 145 1.841 0.562 9.868 1.00 0.10 O ATOM 917 CB PHE A 145 1.394 -0.559 6.652 1.00 0.16 C ATOM 918 CG PHE A 145 0.186 -0.901 5.791 1.00 0.18 C ATOM 919 CD1 PHE A 145 -0.423 -2.137 5.892 1.00 0.20 C ATOM 920 CD2 PHE A 145 -0.343 0.008 4.895 1.00 0.25 C ATOM 921 CE1 PHE A 145 -1.522 -2.462 5.121 1.00 0.25 C ATOM 922 CE2 PHE A 145 -1.443 -0.305 4.119 1.00 0.30 C ATOM 923 CZ PHE A 145 -2.018 -1.509 4.199 1.00 0.27 C ATOM 0 H PHE A 145 -0.349 0.047 8.882 1.00 0.10 H new ATOM 0 HA PHE A 145 1.633 -2.027 8.200 1.00 0.10 H new ATOM 0 HB2 PHE A 145 1.547 0.520 6.612 1.00 0.16 H new ATOM 0 HB3 PHE A 145 2.274 -1.022 6.205 1.00 0.16 H new ATOM 0 HD1 PHE A 145 -0.032 -2.864 6.588 1.00 0.20 H new ATOM 0 HD2 PHE A 145 0.112 0.983 4.799 1.00 0.25 H new ATOM 0 HE1 PHE A 145 -1.995 -3.428 5.220 1.00 0.25 H new ATOM 0 HE2 PHE A 145 -1.843 0.433 3.439 1.00 0.30 H new ATOM 0 HZ PHE A 145 -2.856 -1.754 3.564 1.00 0.27 H new ATOM 933 N THR A 146 3.551 -0.174 8.650 1.00 0.09 N ATOM 934 CA THR A 146 4.510 0.622 9.386 1.00 0.12 C ATOM 935 C THR A 146 5.080 1.748 8.561 1.00 0.12 C ATOM 936 O THR A 146 5.412 1.587 7.385 1.00 0.15 O ATOM 937 CB THR A 146 5.680 -0.205 9.908 1.00 0.15 C ATOM 938 OG1 THR A 146 6.196 -1.046 8.875 1.00 0.16 O ATOM 939 CG2 THR A 146 5.293 -1.024 11.108 1.00 0.19 C ATOM 0 H THR A 146 3.947 -0.745 7.904 1.00 0.09 H new ATOM 0 HA THR A 146 3.943 1.028 10.224 1.00 0.12 H new ATOM 0 HB THR A 146 6.459 0.489 10.222 1.00 0.15 H new ATOM 0 HG1 THR A 146 6.947 -1.570 9.224 1.00 0.16 H new ATOM 0 HG21 THR A 146 6.154 -1.599 11.449 1.00 0.19 H new ATOM 0 HG22 THR A 146 4.958 -0.363 11.907 1.00 0.19 H new ATOM 0 HG23 THR A 146 4.486 -1.705 10.839 1.00 0.19 H new ATOM 947 N VAL A 147 5.221 2.866 9.223 1.00 0.14 N ATOM 948 CA VAL A 147 5.747 4.072 8.623 1.00 0.15 C ATOM 949 C VAL A 147 7.215 4.278 9.008 1.00 0.23 C ATOM 950 O VAL A 147 7.562 4.219 10.186 1.00 0.29 O ATOM 951 CB VAL A 147 4.915 5.277 9.090 1.00 0.28 C ATOM 952 CG1 VAL A 147 5.589 6.584 8.707 1.00 0.86 C ATOM 953 CG2 VAL A 147 3.523 5.221 8.506 1.00 0.73 C ATOM 0 H VAL A 147 4.972 2.970 10.207 1.00 0.14 H new ATOM 0 HA VAL A 147 5.687 3.978 7.539 1.00 0.15 H new ATOM 0 HB VAL A 147 4.842 5.232 10.177 1.00 0.28 H new ATOM 0 HG11 VAL A 147 4.980 7.421 9.049 1.00 0.86 H new ATOM 0 HG12 VAL A 147 6.573 6.636 9.173 1.00 0.86 H new ATOM 0 HG13 VAL A 147 5.698 6.633 7.624 1.00 0.86 H new ATOM 0 HG21 VAL A 147 2.950 6.083 8.848 1.00 0.73 H new ATOM 0 HG22 VAL A 147 3.584 5.235 7.418 1.00 0.73 H new ATOM 0 HG23 VAL A 147 3.029 4.305 8.830 1.00 0.73 H new ATOM 963 N GLN A 148 8.076 4.509 8.019 1.00 0.37 N ATOM 964 CA GLN A 148 9.486 4.769 8.293 1.00 0.51 C ATOM 965 C GLN A 148 9.855 6.208 7.922 1.00 0.58 C ATOM 966 O GLN A 148 9.952 7.067 8.800 1.00 1.16 O ATOM 967 CB GLN A 148 10.383 3.770 7.551 1.00 0.57 C ATOM 968 CG GLN A 148 11.863 3.887 7.900 1.00 1.20 C ATOM 969 CD GLN A 148 12.177 3.484 9.332 1.00 1.71 C ATOM 970 OE1 GLN A 148 11.349 3.618 10.231 1.00 2.45 O ATOM 971 NE2 GLN A 148 13.381 2.986 9.554 1.00 2.15 N ATOM 0 H GLN A 148 7.825 4.521 7.030 1.00 0.37 H new ATOM 0 HA GLN A 148 9.650 4.640 9.363 1.00 0.51 H new ATOM 0 HB2 GLN A 148 10.046 2.758 7.776 1.00 0.57 H new ATOM 0 HB3 GLN A 148 10.261 3.915 6.478 1.00 0.57 H new ATOM 0 HG2 GLN A 148 12.440 3.262 7.219 1.00 1.20 H new ATOM 0 HG3 GLN A 148 12.187 4.915 7.740 1.00 1.20 H new ATOM 0 HE21 GLN A 148 14.043 2.889 8.784 1.00 2.15 H new ATOM 0 HE22 GLN A 148 13.648 2.699 10.495 1.00 2.15 H new ATOM 980 N ALA A 149 10.053 6.470 6.626 1.00 0.40 N ATOM 981 CA ALA A 149 10.396 7.817 6.151 1.00 0.39 C ATOM 982 C ALA A 149 10.308 7.907 4.626 1.00 0.31 C ATOM 983 O ALA A 149 9.315 8.380 4.079 1.00 0.37 O ATOM 984 CB ALA A 149 11.790 8.219 6.624 1.00 0.49 C ATOM 0 H ALA A 149 9.982 5.770 5.888 1.00 0.40 H new ATOM 0 HA ALA A 149 9.670 8.511 6.575 1.00 0.39 H new ATOM 0 HB1 ALA A 149 12.023 9.220 6.261 1.00 0.49 H new ATOM 0 HB2 ALA A 149 11.821 8.212 7.714 1.00 0.49 H new ATOM 0 HB3 ALA A 149 12.524 7.512 6.236 1.00 0.49 H new ATOM 990 N ASN A 150 11.349 7.445 3.944 1.00 0.26 N ATOM 991 CA ASN A 150 11.365 7.407 2.479 1.00 0.24 C ATOM 992 C ASN A 150 10.741 6.135 2.003 1.00 0.19 C ATOM 993 O ASN A 150 10.662 5.879 0.812 1.00 0.20 O ATOM 994 CB ASN A 150 12.776 7.426 1.934 1.00 0.28 C ATOM 995 CG ASN A 150 13.547 8.683 2.283 1.00 0.39 C ATOM 996 OD1 ASN A 150 14.204 8.756 3.324 1.00 1.02 O ATOM 997 ND2 ASN A 150 13.483 9.678 1.414 1.00 1.00 N ATOM 0 H ASN A 150 12.199 7.089 4.381 1.00 0.26 H new ATOM 0 HA ASN A 150 10.820 8.285 2.132 1.00 0.24 H new ATOM 0 HB2 ASN A 150 13.316 6.561 2.318 1.00 0.28 H new ATOM 0 HB3 ASN A 150 12.739 7.323 0.850 1.00 0.28 H new ATOM 0 HD21 ASN A 150 13.989 10.545 1.594 1.00 1.00 H new ATOM 0 HD22 ASN A 150 12.928 9.578 0.564 1.00 1.00 H new ATOM 1004 N SER A 151 10.362 5.304 2.931 1.00 0.17 N ATOM 1005 CA SER A 151 9.655 4.110 2.589 1.00 0.20 C ATOM 1006 C SER A 151 8.625 3.769 3.667 1.00 0.20 C ATOM 1007 O SER A 151 8.851 4.015 4.853 1.00 0.27 O ATOM 1008 CB SER A 151 10.641 2.953 2.401 1.00 0.27 C ATOM 1009 OG SER A 151 11.565 2.876 3.481 1.00 0.94 O ATOM 0 H SER A 151 10.532 5.433 3.928 1.00 0.17 H new ATOM 0 HA SER A 151 9.124 4.273 1.651 1.00 0.20 H new ATOM 0 HB2 SER A 151 10.092 2.015 2.322 1.00 0.27 H new ATOM 0 HB3 SER A 151 11.184 3.084 1.465 1.00 0.27 H new ATOM 0 HG SER A 151 11.480 2.006 3.923 1.00 0.94 H new ATOM 1015 N ILE A 152 7.491 3.244 3.243 1.00 0.18 N ATOM 1016 CA ILE A 152 6.505 2.687 4.145 1.00 0.17 C ATOM 1017 C ILE A 152 6.564 1.172 4.001 1.00 0.17 C ATOM 1018 O ILE A 152 7.227 0.664 3.100 1.00 0.19 O ATOM 1019 CB ILE A 152 5.098 3.227 3.804 1.00 0.18 C ATOM 1020 CG1 ILE A 152 4.889 4.577 4.494 1.00 0.20 C ATOM 1021 CG2 ILE A 152 3.989 2.252 4.184 1.00 0.19 C ATOM 1022 CD1 ILE A 152 3.564 5.201 4.181 1.00 0.20 C ATOM 0 H ILE A 152 7.228 3.192 2.259 1.00 0.18 H new ATOM 0 HA ILE A 152 6.715 2.973 5.176 1.00 0.17 H new ATOM 0 HB ILE A 152 5.043 3.352 2.723 1.00 0.18 H new ATOM 0 HG12 ILE A 152 4.975 4.444 5.572 1.00 0.20 H new ATOM 0 HG13 ILE A 152 5.684 5.259 4.193 1.00 0.20 H new ATOM 0 HG21 ILE A 152 3.022 2.681 3.923 1.00 0.19 H new ATOM 0 HG22 ILE A 152 4.128 1.315 3.645 1.00 0.19 H new ATOM 0 HG23 ILE A 152 4.024 2.062 5.257 1.00 0.19 H new ATOM 0 HD11 ILE A 152 3.479 6.155 4.701 1.00 0.20 H new ATOM 0 HD12 ILE A 152 3.484 5.365 3.106 1.00 0.20 H new ATOM 0 HD13 ILE A 152 2.763 4.537 4.507 1.00 0.20 H new ATOM 1034 N GLU A 153 5.911 0.441 4.870 1.00 0.16 N ATOM 1035 CA GLU A 153 5.826 -0.987 4.679 1.00 0.14 C ATOM 1036 C GLU A 153 4.383 -1.440 4.702 1.00 0.23 C ATOM 1037 O GLU A 153 3.779 -1.462 5.760 1.00 0.56 O ATOM 1038 CB GLU A 153 6.553 -1.739 5.752 1.00 0.18 C ATOM 1039 CG GLU A 153 6.795 -3.157 5.310 1.00 0.27 C ATOM 1040 CD GLU A 153 7.977 -3.814 5.986 1.00 0.50 C ATOM 1041 OE1 GLU A 153 8.201 -5.023 5.772 1.00 0.97 O ATOM 1042 OE2 GLU A 153 8.684 -3.126 6.747 1.00 0.72 O ATOM 0 H GLU A 153 5.439 0.800 5.700 1.00 0.16 H new ATOM 0 HA GLU A 153 6.285 -1.197 3.713 1.00 0.14 H new ATOM 0 HB2 GLU A 153 7.502 -1.250 5.971 1.00 0.18 H new ATOM 0 HB3 GLU A 153 5.970 -1.730 6.673 1.00 0.18 H new ATOM 0 HG2 GLU A 153 5.900 -3.747 5.509 1.00 0.27 H new ATOM 0 HG3 GLU A 153 6.952 -3.170 4.231 1.00 0.27 H new ATOM 1049 N MET A 154 3.862 -1.871 3.567 1.00 0.13 N ATOM 1050 CA MET A 154 2.436 -2.104 3.428 1.00 0.13 C ATOM 1051 C MET A 154 2.119 -3.577 3.244 1.00 0.15 C ATOM 1052 O MET A 154 2.652 -4.234 2.354 1.00 0.18 O ATOM 1053 CB MET A 154 1.908 -1.268 2.246 1.00 0.19 C ATOM 1054 CG MET A 154 0.481 -1.582 1.800 1.00 0.94 C ATOM 1055 SD MET A 154 0.353 -3.006 0.696 1.00 0.73 S ATOM 1056 CE MET A 154 1.449 -2.530 -0.635 1.00 1.32 C ATOM 0 H MET A 154 4.406 -2.067 2.727 1.00 0.13 H new ATOM 0 HA MET A 154 1.937 -1.794 4.346 1.00 0.13 H new ATOM 0 HB2 MET A 154 1.961 -0.214 2.518 1.00 0.19 H new ATOM 0 HB3 MET A 154 2.575 -1.412 1.396 1.00 0.19 H new ATOM 0 HG2 MET A 154 -0.133 -1.763 2.682 1.00 0.94 H new ATOM 0 HG3 MET A 154 0.067 -0.707 1.298 1.00 0.94 H new ATOM 0 HE1 MET A 154 1.166 -3.058 -1.546 1.00 1.32 H new ATOM 0 HE2 MET A 154 1.375 -1.455 -0.800 1.00 1.32 H new ATOM 0 HE3 MET A 154 2.475 -2.787 -0.371 1.00 1.32 H new ATOM 1066 N ILE A 155 1.264 -4.094 4.117 1.00 0.16 N ATOM 1067 CA ILE A 155 0.751 -5.436 3.966 1.00 0.19 C ATOM 1068 C ILE A 155 -0.119 -5.537 2.727 1.00 0.27 C ATOM 1069 O ILE A 155 -1.191 -4.930 2.655 1.00 0.33 O ATOM 1070 CB ILE A 155 -0.084 -5.920 5.164 1.00 0.23 C ATOM 1071 CG1 ILE A 155 0.345 -5.208 6.453 1.00 0.24 C ATOM 1072 CG2 ILE A 155 0.082 -7.437 5.289 1.00 0.25 C ATOM 1073 CD1 ILE A 155 1.203 -6.030 7.362 1.00 0.24 C ATOM 0 H ILE A 155 0.915 -3.597 4.937 1.00 0.16 H new ATOM 0 HA ILE A 155 1.633 -6.071 3.889 1.00 0.19 H new ATOM 0 HB ILE A 155 -1.135 -5.681 5.002 1.00 0.23 H new ATOM 0 HG12 ILE A 155 0.885 -4.299 6.188 1.00 0.24 H new ATOM 0 HG13 ILE A 155 -0.548 -4.901 6.997 1.00 0.24 H new ATOM 0 HG21 ILE A 155 -0.504 -7.799 6.134 1.00 0.25 H new ATOM 0 HG22 ILE A 155 -0.266 -7.918 4.375 1.00 0.25 H new ATOM 0 HG23 ILE A 155 1.134 -7.676 5.447 1.00 0.25 H new ATOM 0 HD11 ILE A 155 1.458 -5.447 8.247 1.00 0.24 H new ATOM 0 HD12 ILE A 155 0.661 -6.927 7.662 1.00 0.24 H new ATOM 0 HD13 ILE A 155 2.116 -6.316 6.840 1.00 0.24 H new ATOM 1297 N VAL A 169 0.240 -10.976 3.412 1.00 0.38 N ATOM 1298 CA VAL A 169 1.598 -10.766 2.991 1.00 0.32 C ATOM 1299 C VAL A 169 1.901 -9.316 3.079 1.00 0.26 C ATOM 1300 O VAL A 169 1.033 -8.505 2.852 1.00 0.29 O ATOM 1301 CB VAL A 169 1.818 -11.146 1.540 1.00 0.38 C ATOM 1302 CG1 VAL A 169 3.218 -10.723 1.140 1.00 0.36 C ATOM 1303 CG2 VAL A 169 1.578 -12.627 1.333 1.00 0.48 C ATOM 0 HA VAL A 169 2.229 -11.381 3.632 1.00 0.32 H new ATOM 0 HB VAL A 169 1.104 -10.630 0.899 1.00 0.38 H new ATOM 0 HG11 VAL A 169 3.395 -10.989 0.098 1.00 0.36 H new ATOM 0 HG12 VAL A 169 3.321 -9.645 1.262 1.00 0.36 H new ATOM 0 HG13 VAL A 169 3.946 -11.231 1.772 1.00 0.36 H new ATOM 0 HG21 VAL A 169 1.741 -12.879 0.285 1.00 0.48 H new ATOM 0 HG22 VAL A 169 2.267 -13.198 1.955 1.00 0.48 H new ATOM 0 HG23 VAL A 169 0.552 -12.872 1.610 1.00 0.48 H new ATOM 1313 N ARG A 170 3.124 -8.986 3.350 1.00 0.23 N ATOM 1314 CA ARG A 170 3.490 -7.614 3.391 1.00 0.20 C ATOM 1315 C ARG A 170 4.579 -7.277 2.410 1.00 0.19 C ATOM 1316 O ARG A 170 5.462 -8.079 2.104 1.00 0.25 O ATOM 1317 CB ARG A 170 3.825 -7.220 4.803 1.00 0.26 C ATOM 1318 CG ARG A 170 4.667 -8.250 5.509 1.00 0.23 C ATOM 1319 CD ARG A 170 6.071 -8.348 4.947 1.00 0.39 C ATOM 1320 NE ARG A 170 7.080 -7.584 5.673 1.00 0.93 N ATOM 1321 CZ ARG A 170 8.143 -8.143 6.251 1.00 0.96 C ATOM 1322 NH1 ARG A 170 8.194 -9.459 6.434 1.00 1.39 N ATOM 1323 NH2 ARG A 170 9.135 -7.379 6.679 1.00 1.61 N ATOM 0 H ARG A 170 3.878 -9.645 3.544 1.00 0.23 H new ATOM 0 HA ARG A 170 2.635 -7.019 3.071 1.00 0.20 H new ATOM 0 HB2 ARG A 170 4.355 -6.267 4.794 1.00 0.26 H new ATOM 0 HB3 ARG A 170 2.902 -7.066 5.362 1.00 0.26 H new ATOM 0 HG2 ARG A 170 4.722 -8.003 6.569 1.00 0.23 H new ATOM 0 HG3 ARG A 170 4.182 -9.223 5.433 1.00 0.23 H new ATOM 0 HD2 ARG A 170 6.369 -9.396 4.935 1.00 0.39 H new ATOM 0 HD3 ARG A 170 6.056 -8.009 3.911 1.00 0.39 H new ATOM 0 HE ARG A 170 6.966 -6.573 5.742 1.00 0.93 H new ATOM 0 HH11 ARG A 170 7.417 -10.046 6.131 1.00 1.39 H new ATOM 0 HH12 ARG A 170 9.010 -9.881 6.877 1.00 1.39 H new ATOM 0 HH21 ARG A 170 9.084 -6.367 6.566 1.00 1.61 H new ATOM 0 HH22 ARG A 170 9.950 -7.803 7.122 1.00 1.61 H new ATOM 1337 N ALA A 171 4.450 -6.096 1.881 1.00 0.17 N ATOM 1338 CA ALA A 171 5.398 -5.567 0.943 1.00 0.16 C ATOM 1339 C ALA A 171 6.035 -4.314 1.513 1.00 0.16 C ATOM 1340 O ALA A 171 5.501 -3.703 2.432 1.00 0.20 O ATOM 1341 CB ALA A 171 4.715 -5.278 -0.385 1.00 0.16 C ATOM 0 H ALA A 171 3.676 -5.466 2.090 1.00 0.17 H new ATOM 0 HA ALA A 171 6.182 -6.303 0.765 1.00 0.16 H new ATOM 0 HB1 ALA A 171 5.444 -4.877 -1.089 1.00 0.16 H new ATOM 0 HB2 ALA A 171 4.293 -6.200 -0.785 1.00 0.16 H new ATOM 0 HB3 ALA A 171 3.918 -4.550 -0.233 1.00 0.16 H new ATOM 1347 N ARG A 172 7.170 -3.930 0.970 1.00 0.16 N ATOM 1348 CA ARG A 172 7.852 -2.745 1.437 1.00 0.18 C ATOM 1349 C ARG A 172 7.736 -1.704 0.377 1.00 0.18 C ATOM 1350 O ARG A 172 8.194 -1.874 -0.751 1.00 0.22 O ATOM 1351 CB ARG A 172 9.310 -2.981 1.800 1.00 0.24 C ATOM 1352 CG ARG A 172 10.048 -1.698 2.162 1.00 0.79 C ATOM 1353 CD ARG A 172 11.530 -1.930 2.405 1.00 1.08 C ATOM 1354 NE ARG A 172 12.207 -0.689 2.785 1.00 1.97 N ATOM 1355 CZ ARG A 172 13.327 -0.234 2.221 1.00 2.59 C ATOM 1356 NH1 ARG A 172 13.954 -0.949 1.291 1.00 2.48 N ATOM 1357 NH2 ARG A 172 13.826 0.937 2.600 1.00 3.69 N ATOM 0 H ARG A 172 7.638 -4.420 0.207 1.00 0.16 H new ATOM 0 HA ARG A 172 7.376 -2.423 2.363 1.00 0.18 H new ATOM 0 HB2 ARG A 172 9.362 -3.673 2.640 1.00 0.24 H new ATOM 0 HB3 ARG A 172 9.815 -3.460 0.961 1.00 0.24 H new ATOM 0 HG2 ARG A 172 9.924 -0.972 1.359 1.00 0.79 H new ATOM 0 HG3 ARG A 172 9.600 -1.264 3.056 1.00 0.79 H new ATOM 0 HD2 ARG A 172 11.660 -2.673 3.192 1.00 1.08 H new ATOM 0 HD3 ARG A 172 11.989 -2.336 1.504 1.00 1.08 H new ATOM 0 HE ARG A 172 11.793 -0.133 3.534 1.00 1.97 H new ATOM 0 HH11 ARG A 172 13.579 -1.853 1.004 1.00 2.48 H new ATOM 0 HH12 ARG A 172 14.810 -0.593 0.865 1.00 2.48 H new ATOM 0 HH21 ARG A 172 13.353 1.484 3.319 1.00 3.69 H new ATOM 0 HH22 ARG A 172 14.682 1.289 2.172 1.00 3.69 H new ATOM 1371 N LEU A 173 7.114 -0.644 0.759 1.00 0.20 N ATOM 1372 CA LEU A 173 6.645 0.329 -0.158 1.00 0.24 C ATOM 1373 C LEU A 173 7.487 1.593 -0.058 1.00 0.25 C ATOM 1374 O LEU A 173 7.354 2.385 0.860 1.00 0.48 O ATOM 1375 CB LEU A 173 5.180 0.552 0.169 1.00 0.37 C ATOM 1376 CG LEU A 173 4.705 1.963 0.038 1.00 0.19 C ATOM 1377 CD1 LEU A 173 4.406 2.294 -1.386 1.00 0.61 C ATOM 1378 CD2 LEU A 173 3.525 2.191 0.957 1.00 0.54 C ATOM 0 H LEU A 173 6.914 -0.427 1.735 1.00 0.20 H new ATOM 0 HA LEU A 173 6.736 0.004 -1.195 1.00 0.24 H new ATOM 0 HB2 LEU A 173 4.578 -0.079 -0.485 1.00 0.37 H new ATOM 0 HB3 LEU A 173 4.997 0.218 1.190 1.00 0.37 H new ATOM 0 HG LEU A 173 5.496 2.646 0.348 1.00 0.19 H new ATOM 0 HD11 LEU A 173 4.062 3.326 -1.455 1.00 0.61 H new ATOM 0 HD12 LEU A 173 5.308 2.171 -1.985 1.00 0.61 H new ATOM 0 HD13 LEU A 173 3.629 1.627 -1.759 1.00 0.61 H new ATOM 0 HD21 LEU A 173 3.181 3.221 0.859 1.00 0.54 H new ATOM 0 HD22 LEU A 173 2.717 1.511 0.687 1.00 0.54 H new ATOM 0 HD23 LEU A 173 3.826 2.005 1.988 1.00 0.54 H new ATOM 1390 N THR A 174 8.353 1.775 -1.019 1.00 0.17 N ATOM 1391 CA THR A 174 9.355 2.807 -0.938 1.00 0.15 C ATOM 1392 C THR A 174 9.026 3.986 -1.815 1.00 0.13 C ATOM 1393 O THR A 174 8.386 3.852 -2.852 1.00 0.12 O ATOM 1394 CB THR A 174 10.737 2.258 -1.310 1.00 0.18 C ATOM 1395 OG1 THR A 174 11.157 1.265 -0.364 1.00 0.21 O ATOM 1396 CG2 THR A 174 11.735 3.391 -1.368 1.00 0.20 C ATOM 0 H THR A 174 8.385 1.218 -1.873 1.00 0.17 H new ATOM 0 HA THR A 174 9.370 3.149 0.097 1.00 0.15 H new ATOM 0 HB THR A 174 10.678 1.786 -2.291 1.00 0.18 H new ATOM 0 HG1 THR A 174 12.040 0.924 -0.618 1.00 0.21 H new ATOM 0 HG21 THR A 174 12.717 2.998 -1.633 1.00 0.20 H new ATOM 0 HG22 THR A 174 11.420 4.116 -2.119 1.00 0.20 H new ATOM 0 HG23 THR A 174 11.790 3.878 -0.394 1.00 0.20 H new ATOM 1404 N PHE A 175 9.473 5.142 -1.364 1.00 0.16 N ATOM 1405 CA PHE A 175 9.254 6.380 -2.046 1.00 0.17 C ATOM 1406 C PHE A 175 10.559 7.006 -2.538 1.00 0.19 C ATOM 1407 O PHE A 175 11.332 7.536 -1.746 1.00 0.32 O ATOM 1408 CB PHE A 175 8.607 7.335 -1.078 1.00 0.30 C ATOM 1409 CG PHE A 175 7.574 6.698 -0.222 1.00 0.18 C ATOM 1410 CD1 PHE A 175 6.398 6.238 -0.766 1.00 0.16 C ATOM 1411 CD2 PHE A 175 7.791 6.546 1.129 1.00 0.21 C ATOM 1412 CE1 PHE A 175 5.449 5.637 0.015 1.00 0.17 C ATOM 1413 CE2 PHE A 175 6.845 5.947 1.921 1.00 0.22 C ATOM 1414 CZ PHE A 175 5.670 5.490 1.362 1.00 0.15 C ATOM 0 H PHE A 175 10.005 5.237 -0.499 1.00 0.16 H new ATOM 0 HA PHE A 175 8.625 6.186 -2.915 1.00 0.17 H new ATOM 0 HB2 PHE A 175 9.376 7.772 -0.442 1.00 0.30 H new ATOM 0 HB3 PHE A 175 8.152 8.153 -1.636 1.00 0.30 H new ATOM 0 HD1 PHE A 175 6.221 6.353 -1.825 1.00 0.16 H new ATOM 0 HD2 PHE A 175 8.712 6.901 1.568 1.00 0.21 H new ATOM 0 HE1 PHE A 175 4.530 5.280 -0.426 1.00 0.17 H new ATOM 0 HE2 PHE A 175 7.020 5.833 2.981 1.00 0.22 H new ATOM 0 HZ PHE A 175 4.924 5.017 1.983 1.00 0.15 H new ATOM 1424 N ASP A 176 10.781 6.980 -3.840 1.00 0.16 N ATOM 1425 CA ASP A 176 12.005 7.540 -4.420 1.00 0.20 C ATOM 1426 C ASP A 176 11.747 8.933 -4.983 1.00 0.19 C ATOM 1427 O ASP A 176 11.239 9.083 -6.093 1.00 0.20 O ATOM 1428 CB ASP A 176 12.543 6.633 -5.530 1.00 0.29 C ATOM 1429 CG ASP A 176 13.871 7.103 -6.089 1.00 0.40 C ATOM 1430 OD1 ASP A 176 13.876 7.847 -7.092 1.00 0.74 O ATOM 1431 OD2 ASP A 176 14.921 6.715 -5.534 1.00 0.68 O ATOM 0 H ASP A 176 10.136 6.580 -4.521 1.00 0.16 H new ATOM 0 HA ASP A 176 12.748 7.609 -3.625 1.00 0.20 H new ATOM 0 HB2 ASP A 176 12.657 5.621 -5.141 1.00 0.29 H new ATOM 0 HB3 ASP A 176 11.812 6.584 -6.337 1.00 0.29 H new ATOM 1436 N GLY A 177 12.067 9.948 -4.204 1.00 0.21 N ATOM 1437 CA GLY A 177 11.969 11.307 -4.699 1.00 0.23 C ATOM 1438 C GLY A 177 10.591 11.907 -4.556 1.00 0.23 C ATOM 1439 O GLY A 177 10.087 12.099 -3.450 1.00 0.27 O ATOM 0 H GLY A 177 12.392 9.861 -3.241 1.00 0.21 H new ATOM 0 HA2 GLY A 177 12.685 11.931 -4.164 1.00 0.23 H new ATOM 0 HA3 GLY A 177 12.255 11.323 -5.751 1.00 0.23 H new ATOM 1443 N ASP A 178 9.985 12.193 -5.695 1.00 0.22 N ATOM 1444 CA ASP A 178 8.680 12.833 -5.754 1.00 0.26 C ATOM 1445 C ASP A 178 7.721 11.813 -6.264 1.00 0.23 C ATOM 1446 O ASP A 178 6.563 12.100 -6.545 1.00 0.25 O ATOM 1447 CB ASP A 178 8.701 14.006 -6.728 1.00 0.34 C ATOM 1448 CG ASP A 178 7.582 15.001 -6.504 1.00 1.10 C ATOM 1449 OD1 ASP A 178 7.425 15.468 -5.356 1.00 1.61 O ATOM 1450 OD2 ASP A 178 6.847 15.307 -7.464 1.00 1.34 O ATOM 0 H ASP A 178 10.385 11.987 -6.610 1.00 0.22 H new ATOM 0 HA ASP A 178 8.400 13.205 -4.769 1.00 0.26 H new ATOM 0 HB2 ASP A 178 9.657 14.522 -6.641 1.00 0.34 H new ATOM 0 HB3 ASP A 178 8.637 13.623 -7.746 1.00 0.34 H new ATOM 1455 N HIS A 179 8.237 10.603 -6.371 1.00 0.19 N ATOM 1456 CA HIS A 179 7.490 9.501 -6.903 1.00 0.17 C ATOM 1457 C HIS A 179 7.726 8.234 -6.121 1.00 0.13 C ATOM 1458 O HIS A 179 8.694 8.102 -5.381 1.00 0.13 O ATOM 1459 CB HIS A 179 7.864 9.296 -8.374 1.00 0.22 C ATOM 1460 CG HIS A 179 9.286 8.871 -8.622 1.00 0.26 C ATOM 1461 ND1 HIS A 179 10.260 9.741 -9.060 1.00 1.28 N ATOM 1462 CD2 HIS A 179 9.892 7.663 -8.512 1.00 0.93 C ATOM 1463 CE1 HIS A 179 11.399 9.090 -9.205 1.00 1.05 C ATOM 1464 NE2 HIS A 179 11.203 7.827 -8.879 1.00 0.45 N ATOM 0 H HIS A 179 9.188 10.366 -6.088 1.00 0.19 H new ATOM 0 HA HIS A 179 6.429 9.738 -6.822 1.00 0.17 H new ATOM 0 HB2 HIS A 179 7.198 8.546 -8.800 1.00 0.22 H new ATOM 0 HB3 HIS A 179 7.681 10.226 -8.912 1.00 0.22 H new ATOM 0 HD2 HIS A 179 9.428 6.741 -8.194 1.00 0.93 H new ATOM 0 HE1 HIS A 179 12.334 9.519 -9.535 1.00 1.05 H new ATOM 0 HE2 HIS A 179 11.911 7.093 -8.897 1.00 0.45 H new ATOM 1473 N LEU A 180 6.806 7.309 -6.292 1.00 0.13 N ATOM 1474 CA LEU A 180 6.905 6.020 -5.652 1.00 0.12 C ATOM 1475 C LEU A 180 8.041 5.233 -6.232 1.00 0.14 C ATOM 1476 O LEU A 180 8.192 5.120 -7.449 1.00 0.22 O ATOM 1477 CB LEU A 180 5.607 5.246 -5.825 1.00 0.17 C ATOM 1478 CG LEU A 180 5.345 4.222 -4.743 1.00 0.15 C ATOM 1479 CD1 LEU A 180 5.647 4.837 -3.404 1.00 0.14 C ATOM 1480 CD2 LEU A 180 3.910 3.757 -4.797 1.00 0.20 C ATOM 0 H LEU A 180 5.977 7.430 -6.873 1.00 0.13 H new ATOM 0 HA LEU A 180 7.090 6.178 -4.589 1.00 0.12 H new ATOM 0 HB2 LEU A 180 4.777 5.952 -5.850 1.00 0.17 H new ATOM 0 HB3 LEU A 180 5.625 4.741 -6.791 1.00 0.17 H new ATOM 0 HG LEU A 180 5.988 3.355 -4.898 1.00 0.15 H new ATOM 0 HD11 LEU A 180 5.461 4.106 -2.617 1.00 0.14 H new ATOM 0 HD12 LEU A 180 6.692 5.146 -3.373 1.00 0.14 H new ATOM 0 HD13 LEU A 180 5.007 5.706 -3.250 1.00 0.14 H new ATOM 0 HD21 LEU A 180 3.736 3.020 -4.013 1.00 0.20 H new ATOM 0 HD22 LEU A 180 3.246 4.608 -4.649 1.00 0.20 H new ATOM 0 HD23 LEU A 180 3.710 3.306 -5.769 1.00 0.20 H new ATOM 1492 N ALA A 181 8.835 4.694 -5.337 1.00 0.12 N ATOM 1493 CA ALA A 181 9.984 3.942 -5.705 1.00 0.13 C ATOM 1494 C ALA A 181 9.591 2.543 -6.115 1.00 0.14 C ATOM 1495 O ALA A 181 9.925 2.076 -7.201 1.00 0.15 O ATOM 1496 CB ALA A 181 10.922 3.897 -4.534 1.00 0.13 C ATOM 0 H ALA A 181 8.691 4.772 -4.330 1.00 0.12 H new ATOM 0 HA ALA A 181 10.475 4.416 -6.555 1.00 0.13 H new ATOM 0 HB1 ALA A 181 11.809 3.323 -4.801 1.00 0.13 H new ATOM 0 HB2 ALA A 181 11.214 4.911 -4.263 1.00 0.13 H new ATOM 0 HB3 ALA A 181 10.425 3.424 -3.687 1.00 0.13 H new ATOM 1502 N THR A 182 8.861 1.889 -5.228 1.00 0.15 N ATOM 1503 CA THR A 182 8.450 0.527 -5.434 1.00 0.18 C ATOM 1504 C THR A 182 7.665 0.032 -4.250 1.00 0.17 C ATOM 1505 O THR A 182 7.485 0.735 -3.261 1.00 0.16 O ATOM 1506 CB THR A 182 9.642 -0.413 -5.617 1.00 0.22 C ATOM 1507 OG1 THR A 182 9.190 -1.657 -6.168 1.00 0.28 O ATOM 1508 CG2 THR A 182 10.312 -0.651 -4.272 1.00 0.24 C ATOM 0 H THR A 182 8.541 2.294 -4.348 1.00 0.15 H new ATOM 0 HA THR A 182 7.843 0.523 -6.339 1.00 0.18 H new ATOM 0 HB THR A 182 10.363 0.038 -6.299 1.00 0.22 H new ATOM 0 HG1 THR A 182 9.954 -2.259 -6.287 1.00 0.28 H new ATOM 0 HG21 THR A 182 11.162 -1.321 -4.402 1.00 0.24 H new ATOM 0 HG22 THR A 182 10.658 0.299 -3.865 1.00 0.24 H new ATOM 0 HG23 THR A 182 9.597 -1.102 -3.584 1.00 0.24 H new ATOM 1516 N ILE A 183 7.224 -1.190 -4.380 1.00 0.20 N ATOM 1517 CA ILE A 183 6.542 -1.905 -3.349 1.00 0.18 C ATOM 1518 C ILE A 183 6.931 -3.353 -3.496 1.00 0.20 C ATOM 1519 O ILE A 183 6.667 -3.958 -4.528 1.00 0.28 O ATOM 1520 CB ILE A 183 5.037 -1.769 -3.486 1.00 0.19 C ATOM 1521 CG1 ILE A 183 4.645 -0.377 -3.050 1.00 0.18 C ATOM 1522 CG2 ILE A 183 4.340 -2.843 -2.682 1.00 0.19 C ATOM 1523 CD1 ILE A 183 4.442 0.580 -4.189 1.00 0.20 C ATOM 0 H ILE A 183 7.336 -1.729 -5.239 1.00 0.20 H new ATOM 0 HA ILE A 183 6.817 -1.507 -2.372 1.00 0.18 H new ATOM 0 HB ILE A 183 4.728 -1.907 -4.522 1.00 0.19 H new ATOM 0 HG12 ILE A 183 3.725 -0.434 -2.467 1.00 0.18 H new ATOM 0 HG13 ILE A 183 5.417 0.018 -2.389 1.00 0.18 H new ATOM 0 HG21 ILE A 183 3.261 -2.735 -2.789 1.00 0.19 H new ATOM 0 HG22 ILE A 183 4.644 -3.825 -3.046 1.00 0.19 H new ATOM 0 HG23 ILE A 183 4.612 -2.745 -1.631 1.00 0.19 H new ATOM 0 HD11 ILE A 183 4.163 1.558 -3.797 1.00 0.20 H new ATOM 0 HD12 ILE A 183 5.367 0.668 -4.759 1.00 0.20 H new ATOM 0 HD13 ILE A 183 3.649 0.209 -4.839 1.00 0.20 H new ATOM 1535 N VAL A 184 7.593 -3.894 -2.508 1.00 0.21 N ATOM 1536 CA VAL A 184 8.178 -5.203 -2.653 1.00 0.24 C ATOM 1537 C VAL A 184 7.579 -6.225 -1.731 1.00 0.23 C ATOM 1538 O VAL A 184 7.630 -6.056 -0.527 1.00 0.22 O ATOM 1539 CB VAL A 184 9.666 -5.160 -2.385 1.00 0.29 C ATOM 1540 CG1 VAL A 184 10.227 -6.561 -2.462 1.00 0.33 C ATOM 1541 CG2 VAL A 184 10.337 -4.238 -3.383 1.00 0.34 C ATOM 0 H VAL A 184 7.741 -3.454 -1.600 1.00 0.21 H new ATOM 0 HA VAL A 184 7.972 -5.498 -3.682 1.00 0.24 H new ATOM 0 HB VAL A 184 9.857 -4.769 -1.386 1.00 0.29 H new ATOM 0 HG11 VAL A 184 11.300 -6.535 -2.269 1.00 0.33 H new ATOM 0 HG12 VAL A 184 9.740 -7.189 -1.716 1.00 0.33 H new ATOM 0 HG13 VAL A 184 10.047 -6.971 -3.456 1.00 0.33 H new ATOM 0 HG21 VAL A 184 11.409 -4.209 -3.188 1.00 0.34 H new ATOM 0 HG22 VAL A 184 10.162 -4.607 -4.394 1.00 0.34 H new ATOM 0 HG23 VAL A 184 9.923 -3.234 -3.286 1.00 0.34 H new ATOM 1551 N ASN A 185 7.075 -7.307 -2.305 1.00 0.29 N ATOM 1552 CA ASN A 185 6.579 -8.433 -1.531 1.00 0.32 C ATOM 1553 C ASN A 185 7.719 -8.992 -0.715 1.00 0.33 C ATOM 1554 O ASN A 185 8.442 -9.876 -1.147 1.00 0.40 O ATOM 1555 CB ASN A 185 6.016 -9.489 -2.479 1.00 0.44 C ATOM 1556 CG ASN A 185 4.940 -10.349 -1.847 1.00 0.98 C ATOM 1557 OD1 ASN A 185 3.770 -9.971 -1.830 1.00 1.64 O ATOM 1558 ND2 ASN A 185 5.319 -11.523 -1.356 1.00 1.57 N ATOM 0 H ASN A 185 6.999 -7.428 -3.315 1.00 0.29 H new ATOM 0 HA ASN A 185 5.781 -8.118 -0.859 1.00 0.32 H new ATOM 0 HB2 ASN A 185 5.606 -8.995 -3.360 1.00 0.44 H new ATOM 0 HB3 ASN A 185 6.828 -10.130 -2.822 1.00 0.44 H new ATOM 0 HD21 ASN A 185 4.628 -12.151 -0.944 1.00 1.57 H new ATOM 0 HD22 ASN A 185 6.301 -11.797 -1.391 1.00 1.57 H new ATOM 1565 N MET A 186 7.808 -8.467 0.485 1.00 0.31 N ATOM 1566 CA MET A 186 8.964 -8.552 1.355 1.00 0.36 C ATOM 1567 C MET A 186 9.368 -9.946 1.676 1.00 0.43 C ATOM 1568 O MET A 186 10.498 -10.207 2.081 1.00 0.53 O ATOM 1569 CB MET A 186 8.628 -7.813 2.622 1.00 0.36 C ATOM 1570 CG MET A 186 8.828 -6.329 2.509 1.00 0.34 C ATOM 1571 SD MET A 186 10.566 -5.887 2.294 1.00 0.94 S ATOM 1572 CE MET A 186 11.248 -6.426 3.860 1.00 1.42 C ATOM 0 H MET A 186 7.040 -7.943 0.904 1.00 0.31 H new ATOM 0 HA MET A 186 9.815 -8.111 0.835 1.00 0.36 H new ATOM 0 HB2 MET A 186 7.591 -8.015 2.889 1.00 0.36 H new ATOM 0 HB3 MET A 186 9.246 -8.196 3.434 1.00 0.36 H new ATOM 0 HG2 MET A 186 8.252 -5.950 1.665 1.00 0.34 H new ATOM 0 HG3 MET A 186 8.440 -5.843 3.404 1.00 0.34 H new ATOM 0 HE1 MET A 186 12.189 -5.908 4.044 1.00 1.42 H new ATOM 0 HE2 MET A 186 10.545 -6.197 4.661 1.00 1.42 H new ATOM 0 HE3 MET A 186 11.425 -7.501 3.829 1.00 1.42 H new ATOM 1582 N GLU A 187 8.445 -10.829 1.505 1.00 0.43 N ATOM 1583 CA GLU A 187 8.667 -12.184 1.822 1.00 0.51 C ATOM 1584 C GLU A 187 9.610 -12.800 0.832 1.00 0.59 C ATOM 1585 O GLU A 187 10.530 -13.541 1.179 1.00 0.68 O ATOM 1586 CB GLU A 187 7.339 -12.872 1.807 1.00 0.50 C ATOM 1587 CG GLU A 187 6.255 -11.996 2.393 1.00 0.42 C ATOM 1588 CD GLU A 187 5.259 -12.758 3.237 1.00 0.49 C ATOM 1589 OE1 GLU A 187 5.171 -12.476 4.450 1.00 0.64 O ATOM 1590 OE2 GLU A 187 4.566 -13.640 2.699 1.00 0.67 O ATOM 0 H GLU A 187 7.515 -10.624 1.140 1.00 0.43 H new ATOM 0 HA GLU A 187 9.125 -12.284 2.806 1.00 0.51 H new ATOM 0 HB2 GLU A 187 7.078 -13.140 0.783 1.00 0.50 H new ATOM 0 HB3 GLU A 187 7.403 -13.801 2.373 1.00 0.50 H new ATOM 0 HG2 GLU A 187 6.716 -11.218 3.002 1.00 0.42 H new ATOM 0 HG3 GLU A 187 5.725 -11.495 1.583 1.00 0.42 H new ATOM 1597 N ASN A 188 9.369 -12.464 -0.400 1.00 0.58 N ATOM 1598 CA ASN A 188 10.208 -12.918 -1.480 1.00 0.67 C ATOM 1599 C ASN A 188 11.207 -11.859 -1.869 1.00 0.64 C ATOM 1600 O ASN A 188 12.321 -12.207 -2.260 1.00 0.74 O ATOM 1601 CB ASN A 188 9.369 -13.321 -2.693 1.00 0.73 C ATOM 1602 CG ASN A 188 8.439 -14.482 -2.405 1.00 1.45 C ATOM 1603 OD1 ASN A 188 7.293 -14.290 -1.994 1.00 2.36 O ATOM 1604 ND2 ASN A 188 8.923 -15.695 -2.616 1.00 1.95 N ATOM 0 H ASN A 188 8.591 -11.871 -0.689 1.00 0.58 H new ATOM 0 HA ASN A 188 10.752 -13.795 -1.129 1.00 0.67 H new ATOM 0 HB2 ASN A 188 8.782 -12.464 -3.023 1.00 0.73 H new ATOM 0 HB3 ASN A 188 10.033 -13.589 -3.515 1.00 0.73 H new ATOM 0 HD21 ASN A 188 8.342 -16.514 -2.438 1.00 1.95 H new ATOM 0 HD22 ASN A 188 9.877 -15.811 -2.957 1.00 1.95 H new ATOM 1611 N ASN A 189 10.840 -10.582 -1.718 1.00 0.53 N ATOM 1612 CA ASN A 189 11.713 -9.467 -2.060 1.00 0.52 C ATOM 1613 C ASN A 189 12.566 -9.753 -3.311 1.00 0.61 C ATOM 1614 O ASN A 189 13.745 -9.395 -3.394 1.00 0.71 O ATOM 1615 CB ASN A 189 12.546 -9.121 -0.825 1.00 0.59 C ATOM 1616 CG ASN A 189 13.652 -10.113 -0.492 1.00 1.12 C ATOM 1617 OD1 ASN A 189 13.425 -11.100 0.205 1.00 1.80 O ATOM 1618 ND2 ASN A 189 14.857 -9.844 -0.959 1.00 1.74 N ATOM 0 H ASN A 189 9.930 -10.298 -1.355 1.00 0.53 H new ATOM 0 HA ASN A 189 11.115 -8.599 -2.336 1.00 0.52 H new ATOM 0 HB2 ASN A 189 12.993 -8.138 -0.972 1.00 0.59 H new ATOM 0 HB3 ASN A 189 11.879 -9.043 0.034 1.00 0.59 H new ATOM 0 HD21 ASN A 189 15.637 -10.465 -0.744 1.00 1.74 H new ATOM 0 HD22 ASN A 189 15.008 -9.015 -1.534 1.00 1.74 H new