USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 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 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 943 SER OG : rot -160:sc= -0.156 USER MOD Set 2.1: A 468 MET CE :methyl 141:sc= -5.33 (180deg=-8.17!) USER MOD Set 2.2: A 476 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.42) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 37:sc= -1.41 USER MOD Single : A 466 LYS NZ :NH3+ 161:sc= 0.0046 (180deg=0) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 470 THR OG1 : rot -93:sc= -0.826 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -1.65 F(o=-2.5,f=-1.6) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 170:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -1.12 K(o=-1.1,f=-10!) USER MOD Single : A 489 THR OG1 : rot 69:sc= 0.32 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 498 LYS NZ :NH3+ -168:sc= -0.0134 (180deg=-0.278) USER MOD Single : A 501 ASN :FLIP amide:sc= 0.00559 F(o=-0.79,f=0.0056) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.97) USER MOD Single : A 510 LYS NZ :NH3+ -136:sc= -0.0982 (180deg=-0.493) USER MOD Single : A 511 MET CE :methyl -145:sc= -0.197 (180deg=-1.11) USER MOD Single : A 512 HIS : no HE2:sc= -4.01 X(o=-4,f=-4.1!) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 942 SER OG : rot 180:sc= 0 USER MOD Single : B 944 SER OG : rot 180:sc= 0 USER MOD Single : B 949 MET CE :methyl -107:sc= -5.88! (180deg=-10!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= -4.74 K(o=-4.7,f=-12!) USER MOD Single : B 961 MET CE :methyl 166:sc=-0.00391 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -17.977 11.506 -0.533 1.00 0.00 N ATOM 2 CA ASP A 451 -16.858 11.077 0.347 1.00 0.00 C ATOM 3 C ASP A 451 -16.370 9.680 -0.024 1.00 0.00 C ATOM 4 O ASP A 451 -17.169 8.767 -0.231 1.00 0.00 O ATOM 5 CB ASP A 451 -17.343 11.099 1.798 1.00 0.00 C ATOM 6 CG ASP A 451 -16.236 10.778 2.784 1.00 0.00 C ATOM 7 OD1 ASP A 451 -15.054 10.800 2.379 1.00 0.00 O ATOM 8 OD2 ASP A 451 -16.551 10.503 3.960 1.00 0.00 O ATOM 0 HA ASP A 451 -16.020 11.762 0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.754 12.082 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -18.153 10.379 1.918 1.00 0.00 H new ATOM 13 N VAL A 452 -15.053 9.522 -0.106 1.00 0.00 N ATOM 14 CA VAL A 452 -14.458 8.237 -0.453 1.00 0.00 C ATOM 15 C VAL A 452 -13.803 7.588 0.763 1.00 0.00 C ATOM 16 O VAL A 452 -13.113 8.252 1.537 1.00 0.00 O ATOM 17 CB VAL A 452 -13.410 8.390 -1.573 1.00 0.00 C ATOM 18 CG1 VAL A 452 -12.249 9.261 -1.110 1.00 0.00 C ATOM 19 CG2 VAL A 452 -12.915 7.028 -2.033 1.00 0.00 C ATOM 0 H VAL A 452 -14.378 10.268 0.063 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.266 7.597 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 452 -13.885 8.883 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -11.521 9.356 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -12.621 10.249 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -11.773 8.802 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -12.176 7.157 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -12.459 6.504 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -13.754 6.445 -2.413 1.00 0.00 H new ATOM 29 N GLN A 453 -14.022 6.287 0.924 1.00 0.00 N ATOM 30 CA GLN A 453 -13.453 5.549 2.044 1.00 0.00 C ATOM 31 C GLN A 453 -12.504 4.460 1.553 1.00 0.00 C ATOM 32 O GLN A 453 -12.809 3.741 0.601 1.00 0.00 O ATOM 33 CB GLN A 453 -14.566 4.928 2.892 1.00 0.00 C ATOM 34 CG GLN A 453 -15.485 5.953 3.535 1.00 0.00 C ATOM 35 CD GLN A 453 -16.605 5.313 4.331 1.00 0.00 C ATOM 36 OE1 GLN A 453 -16.884 4.123 4.184 1.00 0.00 O ATOM 37 NE2 GLN A 453 -17.255 6.102 5.178 1.00 0.00 N ATOM 0 H GLN A 453 -14.590 5.722 0.292 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.887 6.250 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.160 4.262 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.117 4.315 3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.901 6.598 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -15.912 6.589 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.990 7.083 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -18.020 5.727 5.739 1.00 0.00 H new ATOM 46 N VAL A 454 -11.353 4.345 2.208 1.00 0.00 N ATOM 47 CA VAL A 454 -10.361 3.349 1.841 1.00 0.00 C ATOM 48 C VAL A 454 -10.809 1.949 2.248 1.00 0.00 C ATOM 49 O VAL A 454 -11.202 1.720 3.391 1.00 0.00 O ATOM 50 CB VAL A 454 -9.004 3.653 2.500 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.323 4.823 1.807 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.178 3.930 3.986 1.00 0.00 C ATOM 0 H VAL A 454 -11.087 4.933 2.998 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.253 3.389 0.757 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.366 2.776 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.365 5.023 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.159 4.579 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.956 5.707 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.207 4.143 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.835 4.789 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.617 3.057 4.470 1.00 0.00 H new ATOM 62 N THR A 455 -10.745 1.015 1.303 1.00 0.00 N ATOM 63 CA THR A 455 -11.142 -0.363 1.564 1.00 0.00 C ATOM 64 C THR A 455 -10.042 -1.335 1.150 1.00 0.00 C ATOM 65 O THR A 455 -9.271 -1.058 0.231 1.00 0.00 O ATOM 66 CB THR A 455 -12.437 -0.693 0.819 1.00 0.00 C ATOM 67 OG1 THR A 455 -12.188 -0.866 -0.565 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.499 0.376 0.964 1.00 0.00 C ATOM 0 H THR A 455 -10.422 1.188 0.351 1.00 0.00 H new ATOM 0 HA THR A 455 -11.310 -0.469 2.636 1.00 0.00 H new ATOM 0 HB THR A 455 -12.806 -1.613 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 455 -13.027 -1.078 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.391 0.080 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 455 -13.749 0.500 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.123 1.319 0.567 1.00 0.00 H new ATOM 76 N GLU A 456 -9.975 -2.473 1.832 1.00 0.00 N ATOM 77 CA GLU A 456 -8.970 -3.485 1.534 1.00 0.00 C ATOM 78 C GLU A 456 -9.225 -4.122 0.172 1.00 0.00 C ATOM 79 O GLU A 456 -8.291 -4.384 -0.587 1.00 0.00 O ATOM 80 CB GLU A 456 -8.963 -4.563 2.619 1.00 0.00 C ATOM 81 CG GLU A 456 -7.844 -5.580 2.459 1.00 0.00 C ATOM 82 CD GLU A 456 -7.911 -6.692 3.488 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.858 -6.692 4.304 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.017 -7.564 3.479 1.00 0.00 O ATOM 0 H GLU A 456 -10.606 -2.717 2.596 1.00 0.00 H new ATOM 0 HA GLU A 456 -7.996 -2.996 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -8.871 -4.085 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -9.920 -5.084 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -7.892 -6.012 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -6.883 -5.072 2.541 1.00 0.00 H new ATOM 91 N ASP A 457 -10.495 -4.368 -0.133 1.00 0.00 N ATOM 92 CA ASP A 457 -10.873 -4.974 -1.404 1.00 0.00 C ATOM 93 C ASP A 457 -10.439 -4.101 -2.576 1.00 0.00 C ATOM 94 O ASP A 457 -9.979 -4.605 -3.601 1.00 0.00 O ATOM 95 CB ASP A 457 -12.385 -5.200 -1.455 1.00 0.00 C ATOM 96 CG ASP A 457 -12.807 -6.035 -2.648 1.00 0.00 C ATOM 97 OD1 ASP A 457 -11.928 -6.669 -3.270 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.016 -6.055 -2.961 1.00 0.00 O ATOM 0 H ASP A 457 -11.280 -4.157 0.483 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.365 -5.935 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -12.706 -5.694 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -12.892 -4.236 -1.493 1.00 0.00 H new ATOM 103 N ALA A 458 -10.588 -2.790 -2.419 1.00 0.00 N ATOM 104 CA ALA A 458 -10.212 -1.847 -3.466 1.00 0.00 C ATOM 105 C ALA A 458 -8.728 -1.955 -3.795 1.00 0.00 C ATOM 106 O ALA A 458 -8.338 -1.945 -4.963 1.00 0.00 O ATOM 107 CB ALA A 458 -10.560 -0.427 -3.045 1.00 0.00 C ATOM 0 H ALA A 458 -10.966 -2.356 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.775 -2.096 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.274 0.267 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.633 -0.353 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.023 -0.177 -2.130 1.00 0.00 H new ATOM 113 N VAL A 459 -7.902 -2.057 -2.759 1.00 0.00 N ATOM 114 CA VAL A 459 -6.460 -2.166 -2.939 1.00 0.00 C ATOM 115 C VAL A 459 -6.090 -3.480 -3.622 1.00 0.00 C ATOM 116 O VAL A 459 -5.206 -3.519 -4.477 1.00 0.00 O ATOM 117 CB VAL A 459 -5.716 -2.073 -1.592 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.210 -2.054 -1.808 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.166 -0.842 -0.817 1.00 0.00 C ATOM 0 H VAL A 459 -8.207 -2.066 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.156 -1.332 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 459 -5.962 -2.957 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -3.705 -1.988 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -3.904 -2.968 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -3.941 -1.192 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -5.630 -0.793 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -5.953 0.053 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.237 -0.904 -0.625 1.00 0.00 H new ATOM 129 N ARG A 460 -6.773 -4.553 -3.237 1.00 0.00 N ATOM 130 CA ARG A 460 -6.518 -5.869 -3.811 1.00 0.00 C ATOM 131 C ARG A 460 -6.740 -5.861 -5.321 1.00 0.00 C ATOM 132 O ARG A 460 -6.024 -6.529 -6.066 1.00 0.00 O ATOM 133 CB ARG A 460 -7.422 -6.916 -3.158 1.00 0.00 C ATOM 134 CG ARG A 460 -7.138 -8.336 -3.617 1.00 0.00 C ATOM 135 CD ARG A 460 -8.121 -9.325 -3.011 1.00 0.00 C ATOM 136 NE ARG A 460 -8.054 -9.338 -1.552 1.00 0.00 N ATOM 137 CZ ARG A 460 -8.745 -10.178 -0.785 1.00 0.00 C ATOM 138 NH1 ARG A 460 -9.557 -11.074 -1.335 1.00 0.00 N ATOM 139 NH2 ARG A 460 -8.625 -10.123 0.534 1.00 0.00 N ATOM 0 H ARG A 460 -7.508 -4.537 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.476 -6.124 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.303 -6.862 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.462 -6.673 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.194 -8.386 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.122 -8.614 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -9.133 -9.069 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.912 -10.324 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.441 -8.663 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.653 -11.120 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -10.084 -11.716 -0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -8.003 -9.437 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -9.155 -10.767 1.122 1.00 0.00 H new ATOM 153 N ARG A 461 -7.737 -5.103 -5.764 1.00 0.00 N ATOM 154 CA ARG A 461 -8.054 -5.011 -7.186 1.00 0.00 C ATOM 155 C ARG A 461 -6.854 -4.510 -7.985 1.00 0.00 C ATOM 156 O ARG A 461 -6.588 -4.989 -9.087 1.00 0.00 O ATOM 157 CB ARG A 461 -9.249 -4.081 -7.404 1.00 0.00 C ATOM 158 CG ARG A 461 -10.555 -4.628 -6.851 1.00 0.00 C ATOM 159 CD ARG A 461 -11.723 -3.711 -7.172 1.00 0.00 C ATOM 160 NE ARG A 461 -12.945 -4.118 -6.482 1.00 0.00 N ATOM 161 CZ ARG A 461 -13.670 -5.180 -6.821 1.00 0.00 C ATOM 162 NH1 ARG A 461 -13.300 -5.945 -7.842 1.00 0.00 N ATOM 163 NH2 ARG A 461 -14.766 -5.481 -6.139 1.00 0.00 N ATOM 0 H ARG A 461 -8.339 -4.544 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.308 -6.010 -7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -9.040 -3.119 -6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.365 -3.897 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -10.742 -5.617 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.472 -4.749 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -11.470 -2.689 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -11.898 -3.710 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 461 -13.261 -3.554 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.457 -5.719 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.859 -6.759 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -15.054 -4.898 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -15.321 -6.296 -6.400 1.00 0.00 H new ATOM 177 N TYR A 462 -6.134 -3.545 -7.423 1.00 0.00 N ATOM 178 CA TYR A 462 -4.963 -2.981 -8.086 1.00 0.00 C ATOM 179 C TYR A 462 -3.818 -3.988 -8.125 1.00 0.00 C ATOM 180 O TYR A 462 -3.179 -4.176 -9.160 1.00 0.00 O ATOM 181 CB TYR A 462 -4.512 -1.705 -7.372 1.00 0.00 C ATOM 182 CG TYR A 462 -5.525 -0.584 -7.437 1.00 0.00 C ATOM 183 CD1 TYR A 462 -5.922 -0.051 -8.658 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.081 -0.057 -6.279 1.00 0.00 C ATOM 185 CE1 TYR A 462 -6.845 0.976 -8.721 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.006 0.969 -6.334 1.00 0.00 C ATOM 187 CZ TYR A 462 -7.384 1.482 -7.557 1.00 0.00 C ATOM 188 OH TYR A 462 -8.304 2.503 -7.616 1.00 0.00 O ATOM 0 H TYR A 462 -6.340 -3.137 -6.511 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.241 -2.737 -9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.306 -1.937 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.576 -1.363 -7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.503 -0.446 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -5.786 -0.455 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.143 1.380 -9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -7.430 1.367 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.586 2.742 -6.708 1.00 0.00 H new ATOM 198 N LEU A 463 -3.563 -4.631 -6.990 1.00 0.00 N ATOM 199 CA LEU A 463 -2.493 -5.617 -6.894 1.00 0.00 C ATOM 200 C LEU A 463 -2.810 -6.853 -7.730 1.00 0.00 C ATOM 201 O LEU A 463 -1.914 -7.475 -8.300 1.00 0.00 O ATOM 202 CB LEU A 463 -2.271 -6.018 -5.434 1.00 0.00 C ATOM 203 CG LEU A 463 -1.786 -4.890 -4.523 1.00 0.00 C ATOM 204 CD1 LEU A 463 -1.939 -5.283 -3.061 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.339 -4.539 -4.833 1.00 0.00 C ATOM 0 H LEU A 463 -4.083 -4.487 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.581 -5.164 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.206 -6.412 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.544 -6.829 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.400 -4.009 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.589 -4.469 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -2.988 -5.485 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -1.349 -6.178 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.011 -3.734 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.290 -5.415 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.257 -4.215 -5.871 1.00 0.00 H new ATOM 217 N THR A 464 -4.090 -7.203 -7.798 1.00 0.00 N ATOM 218 CA THR A 464 -4.525 -8.363 -8.563 1.00 0.00 C ATOM 219 C THR A 464 -4.210 -8.188 -10.045 1.00 0.00 C ATOM 220 O THR A 464 -3.951 -9.162 -10.754 1.00 0.00 O ATOM 221 CB THR A 464 -6.024 -8.589 -8.370 1.00 0.00 C ATOM 222 OG1 THR A 464 -6.714 -7.354 -8.315 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.357 -9.359 -7.111 1.00 0.00 C ATOM 0 H THR A 464 -4.844 -6.699 -7.332 1.00 0.00 H new ATOM 0 HA THR A 464 -3.982 -9.235 -8.198 1.00 0.00 H new ATOM 0 HB THR A 464 -6.340 -9.179 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.304 -6.722 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.437 -9.484 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.880 -10.338 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.994 -8.810 -6.242 1.00 0.00 H new ATOM 231 N ARG A 465 -4.234 -6.943 -10.507 1.00 0.00 N ATOM 232 CA ARG A 465 -3.950 -6.642 -11.907 1.00 0.00 C ATOM 233 C ARG A 465 -2.454 -6.703 -12.184 1.00 0.00 C ATOM 234 O ARG A 465 -1.995 -7.490 -13.011 1.00 0.00 O ATOM 235 CB ARG A 465 -4.494 -5.260 -12.273 1.00 0.00 C ATOM 236 CG ARG A 465 -6.010 -5.164 -12.206 1.00 0.00 C ATOM 237 CD ARG A 465 -6.673 -5.980 -13.306 1.00 0.00 C ATOM 238 NE ARG A 465 -6.645 -5.291 -14.594 1.00 0.00 N ATOM 239 CZ ARG A 465 -5.665 -5.415 -15.488 1.00 0.00 C ATOM 240 NH1 ARG A 465 -4.619 -6.194 -15.238 1.00 0.00 N ATOM 241 NH2 ARG A 465 -5.729 -4.755 -16.636 1.00 0.00 N ATOM 0 H ARG A 465 -4.447 -6.126 -9.934 1.00 0.00 H new ATOM 0 HA ARG A 465 -4.445 -7.394 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.062 -4.519 -11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.167 -5.005 -13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.355 -5.516 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.313 -4.121 -12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -6.168 -6.941 -13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -7.706 -6.189 -13.029 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.426 -4.676 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -4.561 -6.703 -14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -3.873 -6.283 -15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.528 -4.153 -16.834 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -4.979 -4.849 -17.321 1.00 0.00 H new ATOM 255 N LYS A 466 -1.702 -5.866 -11.485 1.00 0.00 N ATOM 256 CA LYS A 466 -0.253 -5.817 -11.649 1.00 0.00 C ATOM 257 C LYS A 466 0.432 -5.493 -10.322 1.00 0.00 C ATOM 258 O LYS A 466 -0.078 -4.703 -9.530 1.00 0.00 O ATOM 259 CB LYS A 466 0.125 -4.772 -12.701 1.00 0.00 C ATOM 260 CG LYS A 466 1.621 -4.666 -12.944 1.00 0.00 C ATOM 261 CD LYS A 466 1.973 -3.402 -13.711 1.00 0.00 C ATOM 262 CE LYS A 466 1.914 -2.174 -12.818 1.00 0.00 C ATOM 263 NZ LYS A 466 3.252 -1.822 -12.268 1.00 0.00 N ATOM 0 H LYS A 466 -2.070 -5.209 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 466 0.086 -6.798 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -0.370 -5.019 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -0.253 -3.799 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 466 2.147 -4.672 -11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 466 1.963 -5.538 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 466 2.973 -3.498 -14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 466 1.284 -3.279 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 466 1.522 -1.331 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 466 1.220 -2.355 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 3.245 -0.834 -11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 3.474 -2.448 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 3.973 -1.938 -13.008 1.00 0.00 H new ATOM 277 N PRO A 467 1.603 -6.103 -10.060 1.00 0.00 N ATOM 278 CA PRO A 467 2.352 -5.870 -8.821 1.00 0.00 C ATOM 279 C PRO A 467 2.623 -4.388 -8.577 1.00 0.00 C ATOM 280 O PRO A 467 2.970 -3.651 -9.501 1.00 0.00 O ATOM 281 CB PRO A 467 3.666 -6.622 -9.046 1.00 0.00 C ATOM 282 CG PRO A 467 3.339 -7.665 -10.058 1.00 0.00 C ATOM 283 CD PRO A 467 2.288 -7.062 -10.947 1.00 0.00 C ATOM 0 HA PRO A 467 1.799 -6.208 -7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.448 -5.953 -9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 467 4.030 -7.069 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 467 4.223 -7.943 -10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.971 -8.572 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.729 -6.566 -11.812 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.602 -7.818 -11.329 1.00 0.00 H new ATOM 291 N MET A 468 2.462 -3.959 -7.330 1.00 0.00 N ATOM 292 CA MET A 468 2.690 -2.564 -6.968 1.00 0.00 C ATOM 293 C MET A 468 3.484 -2.462 -5.669 1.00 0.00 C ATOM 294 O MET A 468 3.469 -3.378 -4.847 1.00 0.00 O ATOM 295 CB MET A 468 1.356 -1.830 -6.822 1.00 0.00 C ATOM 296 CG MET A 468 0.497 -1.875 -8.074 1.00 0.00 C ATOM 297 SD MET A 468 -0.970 -0.833 -7.948 1.00 0.00 S ATOM 298 CE MET A 468 -0.248 0.793 -8.150 1.00 0.00 C ATOM 0 H MET A 468 2.175 -4.555 -6.554 1.00 0.00 H new ATOM 0 HA MET A 468 3.269 -2.097 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 468 0.799 -2.267 -5.993 1.00 0.00 H new ATOM 0 HB3 MET A 468 1.550 -0.789 -6.562 1.00 0.00 H new ATOM 0 HG2 MET A 468 1.092 -1.556 -8.930 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.192 -2.904 -8.264 1.00 0.00 H new ATOM 0 HE1 MET A 468 -0.909 1.412 -8.757 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.114 1.256 -7.172 1.00 0.00 H new ATOM 0 HE3 MET A 468 0.719 0.703 -8.644 1.00 0.00 H new ATOM 308 N THR A 469 4.176 -1.340 -5.492 1.00 0.00 N ATOM 309 CA THR A 469 4.976 -1.118 -4.293 1.00 0.00 C ATOM 310 C THR A 469 4.133 -0.493 -3.187 1.00 0.00 C ATOM 311 O THR A 469 3.036 0.008 -3.437 1.00 0.00 O ATOM 312 CB THR A 469 6.170 -0.216 -4.611 1.00 0.00 C ATOM 313 OG1 THR A 469 5.747 1.119 -4.823 1.00 0.00 O ATOM 314 CG2 THR A 469 6.940 -0.654 -5.838 1.00 0.00 C ATOM 0 H THR A 469 4.199 -0.572 -6.163 1.00 0.00 H new ATOM 0 HA THR A 469 5.342 -2.084 -3.946 1.00 0.00 H new ATOM 0 HB THR A 469 6.827 -0.289 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.525 1.681 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.773 0.028 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.322 -1.663 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.280 -0.642 -6.705 1.00 0.00 H new ATOM 322 N THR A 470 4.652 -0.523 -1.963 1.00 0.00 N ATOM 323 CA THR A 470 3.946 0.040 -0.817 1.00 0.00 C ATOM 324 C THR A 470 3.639 1.518 -1.040 1.00 0.00 C ATOM 325 O THR A 470 2.519 1.972 -0.807 1.00 0.00 O ATOM 326 CB THR A 470 4.776 -0.133 0.456 1.00 0.00 C ATOM 327 OG1 THR A 470 6.161 -0.105 0.159 1.00 0.00 O ATOM 328 CG2 THR A 470 4.488 -1.427 1.186 1.00 0.00 C ATOM 0 H THR A 470 5.559 -0.931 -1.739 1.00 0.00 H new ATOM 0 HA THR A 470 3.004 -0.496 -0.704 1.00 0.00 H new ATOM 0 HB THR A 470 4.494 0.699 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.484 -1.020 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.110 -1.487 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.437 -1.457 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.710 -2.271 0.532 1.00 0.00 H new ATOM 336 N LYS A 471 4.642 2.264 -1.492 1.00 0.00 N ATOM 337 CA LYS A 471 4.479 3.691 -1.746 1.00 0.00 C ATOM 338 C LYS A 471 3.384 3.939 -2.779 1.00 0.00 C ATOM 339 O LYS A 471 2.599 4.879 -2.651 1.00 0.00 O ATOM 340 CB LYS A 471 5.798 4.298 -2.229 1.00 0.00 C ATOM 341 CG LYS A 471 5.739 5.803 -2.429 1.00 0.00 C ATOM 342 CD LYS A 471 7.051 6.346 -2.969 1.00 0.00 C ATOM 343 CE LYS A 471 7.043 7.864 -3.030 1.00 0.00 C ATOM 344 NZ LYS A 471 8.374 8.412 -3.412 1.00 0.00 N ATOM 0 H LYS A 471 5.576 1.904 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 471 4.187 4.170 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.581 4.067 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 471 6.082 3.826 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 471 4.931 6.048 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 471 5.506 6.288 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 471 7.873 6.011 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 471 7.231 5.942 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.294 8.194 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 471 6.750 8.265 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 8.326 9.450 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.084 8.118 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 8.642 8.050 -4.349 1.00 0.00 H new ATOM 358 N ASP A 472 3.339 3.091 -3.801 1.00 0.00 N ATOM 359 CA ASP A 472 2.340 3.219 -4.855 1.00 0.00 C ATOM 360 C ASP A 472 0.932 3.059 -4.294 1.00 0.00 C ATOM 361 O ASP A 472 0.005 3.755 -4.708 1.00 0.00 O ATOM 362 CB ASP A 472 2.587 2.180 -5.950 1.00 0.00 C ATOM 363 CG ASP A 472 1.996 2.592 -7.284 1.00 0.00 C ATOM 364 OD1 ASP A 472 1.074 3.435 -7.289 1.00 0.00 O ATOM 365 OD2 ASP A 472 2.454 2.073 -8.322 1.00 0.00 O ATOM 0 H ASP A 472 3.982 2.309 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 472 2.428 4.217 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.660 2.025 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.157 1.226 -5.645 1.00 0.00 H new ATOM 370 N LEU A 473 0.780 2.140 -3.348 1.00 0.00 N ATOM 371 CA LEU A 473 -0.516 1.888 -2.727 1.00 0.00 C ATOM 372 C LEU A 473 -1.004 3.119 -1.971 1.00 0.00 C ATOM 373 O LEU A 473 -2.164 3.511 -2.089 1.00 0.00 O ATOM 374 CB LEU A 473 -0.425 0.693 -1.776 1.00 0.00 C ATOM 375 CG LEU A 473 -0.047 -0.634 -2.437 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.065 -1.762 -1.416 1.00 0.00 C ATOM 377 CD2 LEU A 473 -0.991 -0.941 -3.589 1.00 0.00 C ATOM 0 H LEU A 473 1.538 1.556 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.232 1.661 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.310 0.919 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.386 0.572 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 473 0.964 -0.547 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.206 -2.698 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.650 -1.546 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.064 -1.851 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -0.708 -1.888 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.012 -1.010 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -0.930 -0.145 -4.331 1.00 0.00 H new ATOM 389 N LEU A 474 -0.109 3.724 -1.197 1.00 0.00 N ATOM 390 CA LEU A 474 -0.449 4.913 -0.423 1.00 0.00 C ATOM 391 C LEU A 474 -0.765 6.087 -1.343 1.00 0.00 C ATOM 392 O LEU A 474 -1.611 6.925 -1.029 1.00 0.00 O ATOM 393 CB LEU A 474 0.701 5.281 0.517 1.00 0.00 C ATOM 394 CG LEU A 474 0.409 6.436 1.475 1.00 0.00 C ATOM 395 CD1 LEU A 474 -0.581 6.004 2.547 1.00 0.00 C ATOM 396 CD2 LEU A 474 1.697 6.940 2.109 1.00 0.00 C ATOM 0 H LEU A 474 0.856 3.411 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.336 4.690 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 474 0.967 4.401 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 474 1.573 5.539 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 474 -0.037 7.252 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.777 6.839 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.513 5.691 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -0.163 5.172 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 474 1.471 7.762 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 474 2.170 6.130 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 474 2.374 7.289 1.329 1.00 0.00 H new ATOM 408 N LYS A 475 -0.081 6.140 -2.481 1.00 0.00 N ATOM 409 CA LYS A 475 -0.287 7.210 -3.450 1.00 0.00 C ATOM 410 C LYS A 475 -1.738 7.249 -3.919 1.00 0.00 C ATOM 411 O LYS A 475 -2.300 8.321 -4.146 1.00 0.00 O ATOM 412 CB LYS A 475 0.643 7.025 -4.650 1.00 0.00 C ATOM 413 CG LYS A 475 0.586 8.171 -5.647 1.00 0.00 C ATOM 414 CD LYS A 475 1.464 7.900 -6.858 1.00 0.00 C ATOM 415 CE LYS A 475 1.543 9.112 -7.771 1.00 0.00 C ATOM 416 NZ LYS A 475 2.521 10.120 -7.275 1.00 0.00 N ATOM 0 H LYS A 475 0.622 5.453 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 475 -0.056 8.157 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.667 6.917 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.384 6.097 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -0.444 8.323 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 475 0.907 9.093 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 475 2.466 7.626 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 475 1.067 7.050 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 475 1.828 8.793 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 475 0.558 9.571 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 2.544 10.931 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 2.236 10.444 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 3.467 9.690 -7.223 1.00 0.00 H new ATOM 430 N LYS A 476 -2.339 6.072 -4.063 1.00 0.00 N ATOM 431 CA LYS A 476 -3.725 5.970 -4.506 1.00 0.00 C ATOM 432 C LYS A 476 -4.661 6.702 -3.550 1.00 0.00 C ATOM 433 O LYS A 476 -5.703 7.215 -3.957 1.00 0.00 O ATOM 434 CB LYS A 476 -4.139 4.501 -4.617 1.00 0.00 C ATOM 435 CG LYS A 476 -3.396 3.740 -5.703 1.00 0.00 C ATOM 436 CD LYS A 476 -3.892 2.307 -5.816 1.00 0.00 C ATOM 437 CE LYS A 476 -3.060 1.507 -6.806 1.00 0.00 C ATOM 438 NZ LYS A 476 -3.534 1.690 -8.206 1.00 0.00 N ATOM 0 H LYS A 476 -1.888 5.176 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.800 6.439 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.967 4.010 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -5.210 4.448 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.526 4.248 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -2.328 3.741 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.854 1.829 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -4.935 2.306 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.016 1.813 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.101 0.450 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -2.974 1.089 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.537 1.423 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -3.423 2.686 -8.483 1.00 0.00 H new ATOM 452 N PHE A 477 -4.285 6.745 -2.276 1.00 0.00 N ATOM 453 CA PHE A 477 -5.094 7.414 -1.263 1.00 0.00 C ATOM 454 C PHE A 477 -4.240 8.346 -0.410 1.00 0.00 C ATOM 455 O PHE A 477 -3.873 8.012 0.717 1.00 0.00 O ATOM 456 CB PHE A 477 -5.787 6.381 -0.372 1.00 0.00 C ATOM 457 CG PHE A 477 -6.788 5.533 -1.105 1.00 0.00 C ATOM 458 CD1 PHE A 477 -8.085 5.982 -1.302 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.432 4.288 -1.596 1.00 0.00 C ATOM 460 CE1 PHE A 477 -9.006 5.204 -1.975 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.350 3.504 -2.270 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.639 3.963 -2.460 1.00 0.00 C ATOM 0 H PHE A 477 -3.426 6.325 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.850 8.011 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.032 5.734 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.290 6.897 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.378 6.951 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.425 3.925 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.013 5.565 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -7.060 2.535 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.358 3.353 -2.986 1.00 0.00 H new ATOM 472 N GLN A 478 -3.930 9.519 -0.953 1.00 0.00 N ATOM 473 CA GLN A 478 -3.121 10.502 -0.242 1.00 0.00 C ATOM 474 C GLN A 478 -3.988 11.649 0.265 1.00 0.00 C ATOM 475 O GLN A 478 -5.175 11.731 -0.051 1.00 0.00 O ATOM 476 CB GLN A 478 -2.019 11.045 -1.153 1.00 0.00 C ATOM 477 CG GLN A 478 -1.027 9.988 -1.606 1.00 0.00 C ATOM 478 CD GLN A 478 0.127 10.572 -2.397 1.00 0.00 C ATOM 479 OE1 GLN A 478 -0.035 10.647 -3.712 1.00 0.00 O flip ATOM 480 NE2 GLN A 478 1.151 10.954 -1.831 1.00 0.00 N flip ATOM 0 H GLN A 478 -4.227 9.812 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 478 -2.661 10.008 0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -2.477 11.501 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.481 11.834 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -0.636 9.464 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -1.544 9.248 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 478 1.232 10.877 -0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 478 1.918 11.347 -2.376 1.00 0.00 H new ATOM 489 N THR A 479 -3.386 12.533 1.054 1.00 0.00 N ATOM 490 CA THR A 479 -4.101 13.677 1.608 1.00 0.00 C ATOM 491 C THR A 479 -4.731 14.517 0.499 1.00 0.00 C ATOM 492 O THR A 479 -4.105 15.437 -0.027 1.00 0.00 O ATOM 493 CB THR A 479 -3.152 14.542 2.438 1.00 0.00 C ATOM 494 OG1 THR A 479 -3.744 15.794 2.735 1.00 0.00 O ATOM 495 CG2 THR A 479 -1.832 14.811 1.747 1.00 0.00 C ATOM 0 H THR A 479 -2.404 12.479 1.324 1.00 0.00 H new ATOM 0 HA THR A 479 -4.897 13.299 2.250 1.00 0.00 H new ATOM 0 HB THR A 479 -2.960 13.971 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 479 -3.122 16.332 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 479 -1.205 15.430 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 479 -1.326 13.866 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 479 -2.013 15.331 0.806 1.00 0.00 H new ATOM 503 N LYS A 480 -5.971 14.192 0.148 1.00 0.00 N ATOM 504 CA LYS A 480 -6.683 14.916 -0.898 1.00 0.00 C ATOM 505 C LYS A 480 -8.096 15.275 -0.449 1.00 0.00 C ATOM 506 O LYS A 480 -8.375 16.422 -0.098 1.00 0.00 O ATOM 507 CB LYS A 480 -6.735 14.082 -2.180 1.00 0.00 C ATOM 508 CG LYS A 480 -5.376 13.876 -2.828 1.00 0.00 C ATOM 509 CD LYS A 480 -5.495 13.136 -4.150 1.00 0.00 C ATOM 510 CE LYS A 480 -4.129 12.833 -4.743 1.00 0.00 C ATOM 511 NZ LYS A 480 -4.236 12.143 -6.059 1.00 0.00 N ATOM 0 H LYS A 480 -6.503 13.432 0.573 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.142 15.841 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -7.171 13.109 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -7.398 14.570 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -4.900 14.843 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -4.731 13.314 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -6.042 12.205 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -6.073 13.735 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -3.572 13.762 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -3.563 12.210 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -3.283 11.954 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -4.746 11.244 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -4.754 12.748 -6.727 1.00 0.00 H new ATOM 525 N LYS A 481 -8.986 14.287 -0.462 1.00 0.00 N ATOM 526 CA LYS A 481 -10.372 14.502 -0.056 1.00 0.00 C ATOM 527 C LYS A 481 -10.854 13.392 0.877 1.00 0.00 C ATOM 528 O LYS A 481 -12.054 13.251 1.116 1.00 0.00 O ATOM 529 CB LYS A 481 -11.277 14.578 -1.286 1.00 0.00 C ATOM 530 CG LYS A 481 -11.357 13.275 -2.064 1.00 0.00 C ATOM 531 CD LYS A 481 -12.141 13.446 -3.355 1.00 0.00 C ATOM 532 CE LYS A 481 -12.483 12.103 -3.981 1.00 0.00 C ATOM 533 NZ LYS A 481 -11.497 11.709 -5.024 1.00 0.00 N ATOM 0 H LYS A 481 -8.773 13.331 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 481 -10.420 15.447 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -12.280 14.866 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -10.912 15.364 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -10.351 12.923 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -11.830 12.510 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -13.058 13.999 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -11.559 14.039 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -12.515 11.338 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.478 12.151 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -11.766 10.788 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -11.484 12.425 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -10.551 11.638 -4.598 1.00 0.00 H new ATOM 547 N THR A 482 -9.918 12.606 1.401 1.00 0.00 N ATOM 548 CA THR A 482 -10.257 11.514 2.306 1.00 0.00 C ATOM 549 C THR A 482 -10.761 12.049 3.643 1.00 0.00 C ATOM 550 O THR A 482 -11.555 11.399 4.322 1.00 0.00 O ATOM 551 CB THR A 482 -9.040 10.614 2.530 1.00 0.00 C ATOM 552 OG1 THR A 482 -8.015 11.318 3.208 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.453 10.071 1.245 1.00 0.00 C ATOM 0 H THR A 482 -8.920 12.705 1.214 1.00 0.00 H new ATOM 0 HA THR A 482 -11.054 10.930 1.846 1.00 0.00 H new ATOM 0 HB THR A 482 -9.404 9.777 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.246 10.726 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 482 -7.594 9.441 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 482 -9.206 9.481 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 482 -8.136 10.899 0.611 1.00 0.00 H new ATOM 561 N GLY A 483 -10.293 13.236 4.014 1.00 0.00 N ATOM 562 CA GLY A 483 -10.706 13.837 5.268 1.00 0.00 C ATOM 563 C GLY A 483 -9.678 13.651 6.367 1.00 0.00 C ATOM 564 O GLY A 483 -9.607 14.449 7.302 1.00 0.00 O ATOM 0 H GLY A 483 -9.635 13.792 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -10.882 14.902 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -11.653 13.399 5.583 1.00 0.00 H new ATOM 568 N LEU A 484 -8.878 12.596 6.253 1.00 0.00 N ATOM 569 CA LEU A 484 -7.847 12.308 7.244 1.00 0.00 C ATOM 570 C LEU A 484 -6.478 12.766 6.751 1.00 0.00 C ATOM 571 O LEU A 484 -6.186 12.710 5.557 1.00 0.00 O ATOM 572 CB LEU A 484 -7.814 10.810 7.555 1.00 0.00 C ATOM 573 CG LEU A 484 -9.154 10.205 7.976 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.038 8.694 8.114 1.00 0.00 C ATOM 575 CD2 LEU A 484 -9.635 10.825 9.279 1.00 0.00 C ATOM 0 H LEU A 484 -8.924 11.927 5.485 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.089 12.856 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -7.455 10.280 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.089 10.636 8.350 1.00 0.00 H new ATOM 0 HG LEU A 484 -9.888 10.424 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.001 8.281 8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.740 8.263 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.289 8.454 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -10.590 10.382 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.901 10.638 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -9.759 11.900 9.147 1.00 0.00 H new ATOM 587 N SER A 485 -5.642 13.219 7.680 1.00 0.00 N ATOM 588 CA SER A 485 -4.303 13.687 7.340 1.00 0.00 C ATOM 589 C SER A 485 -3.491 12.578 6.678 1.00 0.00 C ATOM 590 O SER A 485 -3.851 11.404 6.751 1.00 0.00 O ATOM 591 CB SER A 485 -3.582 14.187 8.593 1.00 0.00 C ATOM 592 OG SER A 485 -4.318 15.217 9.230 1.00 0.00 O ATOM 0 H SER A 485 -5.868 13.272 8.673 1.00 0.00 H new ATOM 0 HA SER A 485 -4.401 14.511 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 485 -3.435 13.359 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 485 -2.593 14.556 8.324 1.00 0.00 H new ATOM 0 HG SER A 485 -3.836 15.517 10.029 1.00 0.00 H new ATOM 598 N SER A 486 -2.393 12.960 6.032 1.00 0.00 N ATOM 599 CA SER A 486 -1.529 11.998 5.358 1.00 0.00 C ATOM 600 C SER A 486 -1.034 10.934 6.332 1.00 0.00 C ATOM 601 O SER A 486 -0.895 9.764 5.973 1.00 0.00 O ATOM 602 CB SER A 486 -0.339 12.712 4.716 1.00 0.00 C ATOM 603 OG SER A 486 0.529 13.245 5.702 1.00 0.00 O ATOM 0 H SER A 486 -2.081 13.929 5.961 1.00 0.00 H new ATOM 0 HA SER A 486 -2.113 11.507 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 486 0.209 12.014 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.697 13.514 4.070 1.00 0.00 H new ATOM 0 HG SER A 486 1.357 13.553 5.277 1.00 0.00 H new ATOM 609 N GLU A 487 -0.769 11.347 7.566 1.00 0.00 N ATOM 610 CA GLU A 487 -0.290 10.428 8.593 1.00 0.00 C ATOM 611 C GLU A 487 -1.397 9.471 9.023 1.00 0.00 C ATOM 612 O GLU A 487 -1.153 8.287 9.253 1.00 0.00 O ATOM 613 CB GLU A 487 0.226 11.208 9.804 1.00 0.00 C ATOM 614 CG GLU A 487 0.880 10.330 10.859 1.00 0.00 C ATOM 615 CD GLU A 487 1.305 11.109 12.089 1.00 0.00 C ATOM 616 OE1 GLU A 487 1.068 12.336 12.128 1.00 0.00 O ATOM 617 OE2 GLU A 487 1.876 10.494 13.014 1.00 0.00 O ATOM 0 H GLU A 487 -0.877 12.311 7.880 1.00 0.00 H new ATOM 0 HA GLU A 487 0.528 9.844 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 487 0.946 11.953 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.604 11.750 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 487 0.184 9.545 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 487 1.751 9.838 10.427 1.00 0.00 H new ATOM 624 N GLN A 488 -2.616 9.993 9.130 1.00 0.00 N ATOM 625 CA GLN A 488 -3.761 9.186 9.532 1.00 0.00 C ATOM 626 C GLN A 488 -4.050 8.098 8.503 1.00 0.00 C ATOM 627 O GLN A 488 -4.426 6.980 8.856 1.00 0.00 O ATOM 628 CB GLN A 488 -4.994 10.071 9.718 1.00 0.00 C ATOM 629 CG GLN A 488 -4.869 11.057 10.868 1.00 0.00 C ATOM 630 CD GLN A 488 -6.081 11.958 11.000 1.00 0.00 C ATOM 631 OE1 GLN A 488 -6.896 12.060 10.083 1.00 0.00 O ATOM 632 NE2 GLN A 488 -6.206 12.618 12.145 1.00 0.00 N ATOM 0 H GLN A 488 -2.835 10.972 8.944 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.520 8.706 10.481 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.177 10.623 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.864 9.436 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.727 10.508 11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.980 11.670 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.507 12.504 12.879 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.002 13.239 12.291 1.00 0.00 H new ATOM 641 N THR A 489 -3.871 8.432 7.229 1.00 0.00 N ATOM 642 CA THR A 489 -4.112 7.481 6.149 1.00 0.00 C ATOM 643 C THR A 489 -3.222 6.253 6.298 1.00 0.00 C ATOM 644 O THR A 489 -3.654 5.126 6.056 1.00 0.00 O ATOM 645 CB THR A 489 -3.865 8.144 4.792 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.564 9.372 4.699 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.288 7.283 3.621 1.00 0.00 C ATOM 0 H THR A 489 -3.560 9.353 6.919 1.00 0.00 H new ATOM 0 HA THR A 489 -5.153 7.162 6.205 1.00 0.00 H new ATOM 0 HB THR A 489 -2.788 8.299 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.158 10.026 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 489 -4.086 7.811 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.729 6.348 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.354 7.069 3.693 1.00 0.00 H new ATOM 655 N VAL A 490 -1.976 6.479 6.700 1.00 0.00 N ATOM 656 CA VAL A 490 -1.023 5.392 6.883 1.00 0.00 C ATOM 657 C VAL A 490 -1.466 4.458 8.003 1.00 0.00 C ATOM 658 O VAL A 490 -1.245 3.249 7.942 1.00 0.00 O ATOM 659 CB VAL A 490 0.387 5.928 7.202 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.393 4.789 7.269 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.811 6.963 6.171 1.00 0.00 C ATOM 0 H VAL A 490 -1.603 7.406 6.905 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.988 4.839 5.944 1.00 0.00 H new ATOM 0 HB VAL A 490 0.357 6.411 8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.381 5.189 7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.098 4.088 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.422 4.272 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.809 7.330 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.822 6.507 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.107 7.795 6.180 1.00 0.00 H new ATOM 671 N ASN A 491 -2.093 5.028 9.029 1.00 0.00 N ATOM 672 CA ASN A 491 -2.567 4.245 10.164 1.00 0.00 C ATOM 673 C ASN A 491 -3.548 3.167 9.715 1.00 0.00 C ATOM 674 O ASN A 491 -3.446 2.011 10.126 1.00 0.00 O ATOM 675 CB ASN A 491 -3.235 5.158 11.195 1.00 0.00 C ATOM 676 CG ASN A 491 -3.607 4.420 12.466 1.00 0.00 C ATOM 677 OD1 ASN A 491 -4.778 4.124 12.704 1.00 0.00 O ATOM 678 ND2 ASN A 491 -2.611 4.120 13.291 1.00 0.00 N ATOM 0 H ASN A 491 -2.284 6.028 9.097 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.705 3.758 10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.562 5.980 11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -4.131 5.599 10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -2.802 3.625 14.162 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.655 4.385 13.054 1.00 0.00 H new ATOM 685 N VAL A 492 -4.498 3.551 8.867 1.00 0.00 N ATOM 686 CA VAL A 492 -5.495 2.615 8.363 1.00 0.00 C ATOM 687 C VAL A 492 -4.880 1.646 7.358 1.00 0.00 C ATOM 688 O VAL A 492 -5.087 0.435 7.441 1.00 0.00 O ATOM 689 CB VAL A 492 -6.671 3.353 7.695 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.769 2.373 7.308 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.213 4.436 8.615 1.00 0.00 C ATOM 0 H VAL A 492 -4.597 4.503 8.515 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.868 2.056 9.221 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.306 3.830 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.590 2.914 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.371 1.638 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.133 1.864 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -8.043 4.947 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.561 3.984 9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.424 5.155 8.835 1.00 0.00 H new ATOM 701 N LEU A 493 -4.122 2.188 6.410 1.00 0.00 N ATOM 702 CA LEU A 493 -3.476 1.371 5.389 1.00 0.00 C ATOM 703 C LEU A 493 -2.472 0.410 6.015 1.00 0.00 C ATOM 704 O LEU A 493 -2.349 -0.739 5.590 1.00 0.00 O ATOM 705 CB LEU A 493 -2.775 2.263 4.363 1.00 0.00 C ATOM 706 CG LEU A 493 -3.687 2.852 3.287 1.00 0.00 C ATOM 707 CD1 LEU A 493 -3.118 4.162 2.764 1.00 0.00 C ATOM 708 CD2 LEU A 493 -3.878 1.860 2.150 1.00 0.00 C ATOM 0 H LEU A 493 -3.940 3.188 6.328 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.246 0.785 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.285 3.082 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.991 1.683 3.876 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.660 3.055 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -3.780 4.567 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.033 4.875 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.132 3.985 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -4.530 2.296 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.911 1.626 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.330 0.947 2.536 1.00 0.00 H new ATOM 720 N ALA A 494 -1.754 0.886 7.026 1.00 0.00 N ATOM 721 CA ALA A 494 -0.760 0.067 7.710 1.00 0.00 C ATOM 722 C ALA A 494 -1.417 -1.105 8.428 1.00 0.00 C ATOM 723 O ALA A 494 -0.877 -2.211 8.456 1.00 0.00 O ATOM 724 CB ALA A 494 0.035 0.914 8.692 1.00 0.00 C ATOM 0 H ALA A 494 -1.842 1.835 7.390 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.078 -0.336 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.773 0.290 9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.543 1.715 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.641 1.345 9.431 1.00 0.00 H new ATOM 730 N GLN A 495 -2.584 -0.855 9.010 1.00 0.00 N ATOM 731 CA GLN A 495 -3.317 -1.889 9.730 1.00 0.00 C ATOM 732 C GLN A 495 -4.025 -2.832 8.762 1.00 0.00 C ATOM 733 O GLN A 495 -3.985 -4.051 8.928 1.00 0.00 O ATOM 734 CB GLN A 495 -4.337 -1.254 10.678 1.00 0.00 C ATOM 735 CG GLN A 495 -3.704 -0.500 11.837 1.00 0.00 C ATOM 736 CD GLN A 495 -4.729 0.189 12.714 1.00 0.00 C ATOM 737 OE1 GLN A 495 -5.884 0.362 12.322 1.00 0.00 O ATOM 738 NE2 GLN A 495 -4.313 0.589 13.910 1.00 0.00 N ATOM 0 H GLN A 495 -3.043 0.056 8.997 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.599 -2.468 10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.969 -0.570 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.987 -2.034 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.122 -1.195 12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.008 0.242 11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.347 0.426 14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -4.959 1.060 14.544 1.00 0.00 H new ATOM 747 N ILE A 496 -4.673 -2.260 7.752 1.00 0.00 N ATOM 748 CA ILE A 496 -5.389 -3.052 6.760 1.00 0.00 C ATOM 749 C ILE A 496 -4.430 -3.944 5.978 1.00 0.00 C ATOM 750 O ILE A 496 -4.687 -5.129 5.774 1.00 0.00 O ATOM 751 CB ILE A 496 -6.183 -2.145 5.788 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.420 -2.877 5.268 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.318 -1.667 4.627 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.529 -1.948 4.823 1.00 0.00 C ATOM 0 H ILE A 496 -4.717 -1.252 7.600 1.00 0.00 H new ATOM 0 HA ILE A 496 -6.096 -3.686 7.295 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.501 -1.263 6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.131 -3.512 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.799 -3.534 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -5.912 -1.034 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.473 -1.097 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -4.950 -2.528 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.375 -2.536 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.845 -1.330 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.167 -1.308 4.018 1.00 0.00 H new ATOM 766 N LEU A 497 -3.319 -3.358 5.549 1.00 0.00 N ATOM 767 CA LEU A 497 -2.308 -4.088 4.793 1.00 0.00 C ATOM 768 C LEU A 497 -1.651 -5.154 5.660 1.00 0.00 C ATOM 769 O LEU A 497 -1.273 -6.217 5.173 1.00 0.00 O ATOM 770 CB LEU A 497 -1.250 -3.125 4.253 1.00 0.00 C ATOM 771 CG LEU A 497 -1.666 -2.337 3.010 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.077 -0.934 3.042 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.235 -3.070 1.747 1.00 0.00 C ATOM 0 H LEU A 497 -3.095 -2.376 5.712 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.799 -4.580 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -0.987 -2.419 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.349 -3.693 4.020 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.753 -2.251 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.385 -0.390 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.435 -0.409 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.011 -0.997 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -1.539 -2.496 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.151 -3.187 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -1.706 -4.053 1.718 1.00 0.00 H new ATOM 785 N LYS A 498 -1.520 -4.866 6.952 1.00 0.00 N ATOM 786 CA LYS A 498 -0.907 -5.806 7.886 1.00 0.00 C ATOM 787 C LYS A 498 -1.532 -7.191 7.756 1.00 0.00 C ATOM 788 O LYS A 498 -0.829 -8.192 7.656 1.00 0.00 O ATOM 789 CB LYS A 498 -1.062 -5.306 9.321 1.00 0.00 C ATOM 790 CG LYS A 498 -0.255 -6.103 10.333 1.00 0.00 C ATOM 791 CD LYS A 498 1.204 -5.679 10.340 1.00 0.00 C ATOM 792 CE LYS A 498 2.066 -6.665 11.110 1.00 0.00 C ATOM 793 NZ LYS A 498 1.440 -7.062 12.401 1.00 0.00 N ATOM 0 H LYS A 498 -1.829 -3.991 7.375 1.00 0.00 H new ATOM 0 HA LYS A 498 0.153 -5.878 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.757 -4.261 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -2.115 -5.343 9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 498 -0.680 -5.966 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 498 -0.325 -7.166 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.566 -5.600 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 498 1.294 -4.689 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 498 2.234 -7.553 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 498 3.042 -6.220 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 2.137 -7.567 12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 1.117 -6.212 12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.627 -7.684 12.216 1.00 0.00 H new ATOM 807 N ARG A 499 -2.858 -7.238 7.764 1.00 0.00 N ATOM 808 CA ARG A 499 -3.580 -8.500 7.647 1.00 0.00 C ATOM 809 C ARG A 499 -3.663 -8.971 6.193 1.00 0.00 C ATOM 810 O ARG A 499 -4.000 -10.123 5.926 1.00 0.00 O ATOM 811 CB ARG A 499 -4.992 -8.367 8.228 1.00 0.00 C ATOM 812 CG ARG A 499 -5.076 -7.455 9.443 1.00 0.00 C ATOM 813 CD ARG A 499 -4.060 -7.841 10.506 1.00 0.00 C ATOM 814 NE ARG A 499 -4.335 -7.198 11.788 1.00 0.00 N ATOM 815 CZ ARG A 499 -3.627 -7.415 12.894 1.00 0.00 C ATOM 816 NH1 ARG A 499 -2.601 -8.257 12.879 1.00 0.00 N ATOM 817 NH2 ARG A 499 -3.945 -6.789 14.019 1.00 0.00 N ATOM 0 H ARG A 499 -3.456 -6.417 7.850 1.00 0.00 H new ATOM 0 HA ARG A 499 -3.024 -9.246 8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.658 -7.987 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -5.356 -9.357 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -4.907 -6.423 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -6.080 -7.502 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -4.065 -8.923 10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -3.061 -7.565 10.169 1.00 0.00 H new ATOM 0 HE ARG A 499 -5.116 -6.544 11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.352 -8.742 12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -2.062 -8.419 13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -4.732 -6.141 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -3.402 -6.956 14.866 1.00 0.00 H new ATOM 831 N LEU A 500 -3.382 -8.066 5.258 1.00 0.00 N ATOM 832 CA LEU A 500 -3.453 -8.382 3.832 1.00 0.00 C ATOM 833 C LEU A 500 -2.790 -9.714 3.496 1.00 0.00 C ATOM 834 O LEU A 500 -3.410 -10.588 2.888 1.00 0.00 O ATOM 835 CB LEU A 500 -2.817 -7.261 3.007 1.00 0.00 C ATOM 836 CG LEU A 500 -2.866 -7.465 1.491 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.303 -7.429 0.993 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.029 -6.408 0.786 1.00 0.00 C ATOM 0 H LEU A 500 -3.103 -7.106 5.462 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.509 -8.471 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.318 -6.324 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.776 -7.153 3.310 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.449 -8.445 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.318 -7.576 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -4.875 -8.222 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.747 -6.463 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.074 -6.567 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.418 -5.418 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.994 -6.481 1.120 1.00 0.00 H new ATOM 850 N ASN A 501 -1.534 -9.864 3.883 1.00 0.00 N ATOM 851 CA ASN A 501 -0.792 -11.092 3.609 1.00 0.00 C ATOM 852 C ASN A 501 -0.557 -11.267 2.108 1.00 0.00 C ATOM 853 O ASN A 501 -0.782 -12.344 1.558 1.00 0.00 O ATOM 854 CB ASN A 501 -1.543 -12.305 4.164 1.00 0.00 C ATOM 855 CG ASN A 501 -0.690 -13.557 4.180 1.00 0.00 C ATOM 856 OD1 ASN A 501 -0.111 -13.865 5.335 1.00 0.00 O flip ATOM 857 ND2 ASN A 501 -0.551 -14.240 3.166 1.00 0.00 N flip ATOM 0 H ASN A 501 -1.004 -9.154 4.388 1.00 0.00 H new ATOM 0 HA ASN A 501 0.176 -11.016 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -1.881 -12.087 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -2.434 -12.484 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -1.014 -13.966 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 501 0.027 -15.080 3.192 1.00 0.00 H new ATOM 864 N PRO A 502 -0.092 -10.205 1.423 1.00 0.00 N ATOM 865 CA PRO A 502 0.176 -10.252 -0.017 1.00 0.00 C ATOM 866 C PRO A 502 1.460 -11.009 -0.341 1.00 0.00 C ATOM 867 O PRO A 502 2.222 -11.371 0.555 1.00 0.00 O ATOM 868 CB PRO A 502 0.322 -8.779 -0.391 1.00 0.00 C ATOM 869 CG PRO A 502 0.840 -8.133 0.847 1.00 0.00 C ATOM 870 CD PRO A 502 0.212 -8.876 1.995 1.00 0.00 C ATOM 0 HA PRO A 502 -0.610 -10.773 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.010 -8.647 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.633 -8.349 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 502 1.927 -8.192 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.576 -7.076 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 502 0.891 -8.951 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.689 -8.377 2.351 1.00 0.00 H new ATOM 878 N GLU A 503 1.695 -11.242 -1.627 1.00 0.00 N ATOM 879 CA GLU A 503 2.890 -11.952 -2.068 1.00 0.00 C ATOM 880 C GLU A 503 3.984 -10.968 -2.470 1.00 0.00 C ATOM 881 O GLU A 503 3.738 -10.026 -3.222 1.00 0.00 O ATOM 882 CB GLU A 503 2.558 -12.875 -3.242 1.00 0.00 C ATOM 883 CG GLU A 503 1.671 -14.049 -2.862 1.00 0.00 C ATOM 884 CD GLU A 503 0.215 -13.656 -2.715 1.00 0.00 C ATOM 885 OE1 GLU A 503 -0.171 -12.593 -3.248 1.00 0.00 O ATOM 886 OE2 GLU A 503 -0.542 -14.409 -2.068 1.00 0.00 O ATOM 0 H GLU A 503 1.075 -10.950 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 503 3.254 -12.555 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.064 -12.294 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 503 3.486 -13.255 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 503 1.759 -14.826 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 503 2.024 -14.478 -1.924 1.00 0.00 H new ATOM 893 N ARG A 504 5.191 -11.192 -1.961 1.00 0.00 N ATOM 894 CA ARG A 504 6.320 -10.321 -2.266 1.00 0.00 C ATOM 895 C ARG A 504 7.194 -10.923 -3.362 1.00 0.00 C ATOM 896 O ARG A 504 7.590 -12.086 -3.286 1.00 0.00 O ATOM 897 CB ARG A 504 7.157 -10.076 -1.008 1.00 0.00 C ATOM 898 CG ARG A 504 7.514 -11.349 -0.258 1.00 0.00 C ATOM 899 CD ARG A 504 8.572 -11.090 0.803 1.00 0.00 C ATOM 900 NE ARG A 504 8.030 -10.368 1.953 1.00 0.00 N ATOM 901 CZ ARG A 504 8.726 -10.103 3.056 1.00 0.00 C ATOM 902 NH1 ARG A 504 9.989 -10.495 3.163 1.00 0.00 N ATOM 903 NH2 ARG A 504 8.157 -9.442 4.055 1.00 0.00 N ATOM 0 H ARG A 504 5.412 -11.968 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 504 5.925 -9.370 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.075 -9.559 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 504 6.608 -9.412 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.620 -11.760 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.878 -12.098 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 504 8.991 -12.039 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 504 9.390 -10.516 0.367 1.00 0.00 H new ATOM 0 HE ARG A 504 7.062 -10.049 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.432 -11.003 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 504 10.517 -10.289 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 504 7.187 -9.137 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 504 8.690 -9.238 4.901 1.00 0.00 H new ATOM 917 N LYS A 505 7.491 -10.122 -4.380 1.00 0.00 N ATOM 918 CA LYS A 505 8.318 -10.573 -5.492 1.00 0.00 C ATOM 919 C LYS A 505 9.390 -9.540 -5.823 1.00 0.00 C ATOM 920 O LYS A 505 9.156 -8.335 -5.728 1.00 0.00 O ATOM 921 CB LYS A 505 7.452 -10.839 -6.726 1.00 0.00 C ATOM 922 CG LYS A 505 6.377 -11.889 -6.499 1.00 0.00 C ATOM 923 CD LYS A 505 5.699 -12.283 -7.800 1.00 0.00 C ATOM 924 CE LYS A 505 4.948 -11.113 -8.414 1.00 0.00 C ATOM 925 NZ LYS A 505 4.483 -11.415 -9.797 1.00 0.00 N ATOM 0 H LYS A 505 7.171 -9.157 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 505 8.809 -11.500 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.979 -9.907 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.093 -11.159 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.820 -12.771 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.633 -11.504 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.446 -12.647 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 505 5.007 -13.105 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.090 -10.864 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.595 -10.236 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.976 -10.592 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.303 -11.628 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 3.845 -12.236 -9.777 1.00 0.00 H new ATOM 939 N MET A 506 10.567 -10.019 -6.213 1.00 0.00 N ATOM 940 CA MET A 506 11.675 -9.136 -6.557 1.00 0.00 C ATOM 941 C MET A 506 11.623 -8.745 -8.031 1.00 0.00 C ATOM 942 O MET A 506 11.986 -9.531 -8.905 1.00 0.00 O ATOM 943 CB MET A 506 13.011 -9.812 -6.244 1.00 0.00 C ATOM 944 CG MET A 506 13.235 -10.061 -4.762 1.00 0.00 C ATOM 945 SD MET A 506 14.869 -10.738 -4.410 1.00 0.00 S ATOM 946 CE MET A 506 14.748 -11.017 -2.646 1.00 0.00 C ATOM 0 H MET A 506 10.778 -11.013 -6.299 1.00 0.00 H new ATOM 0 HA MET A 506 11.584 -8.231 -5.956 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.061 -10.763 -6.775 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.821 -9.191 -6.626 1.00 0.00 H new ATOM 0 HG2 MET A 506 13.109 -9.125 -4.217 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.474 -10.749 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 506 15.685 -11.436 -2.279 1.00 0.00 H new ATOM 0 HE2 MET A 506 14.550 -10.072 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 506 13.935 -11.714 -2.443 1.00 0.00 H new ATOM 956 N ILE A 507 11.169 -7.525 -8.298 1.00 0.00 N ATOM 957 CA ILE A 507 11.070 -7.029 -9.666 1.00 0.00 C ATOM 958 C ILE A 507 11.924 -5.781 -9.860 1.00 0.00 C ATOM 959 O ILE A 507 11.777 -4.797 -9.136 1.00 0.00 O ATOM 960 CB ILE A 507 9.611 -6.702 -10.041 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.700 -7.888 -9.717 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.509 -6.338 -11.515 1.00 0.00 C ATOM 963 CD1 ILE A 507 7.233 -7.606 -9.956 1.00 0.00 C ATOM 0 H ILE A 507 10.864 -6.862 -7.586 1.00 0.00 H new ATOM 0 HA ILE A 507 11.436 -7.822 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 507 9.285 -5.845 -9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 507 9.001 -8.743 -10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.842 -8.171 -8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.472 -6.110 -11.763 1.00 0.00 H new ATOM 0 HG22 ILE A 507 10.131 -5.466 -11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.851 -7.177 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.647 -8.490 -9.705 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.916 -6.772 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 507 7.077 -7.353 -11.005 1.00 0.00 H new ATOM 975 N ASN A 508 12.820 -5.829 -10.842 1.00 0.00 N ATOM 976 CA ASN A 508 13.699 -4.702 -11.132 1.00 0.00 C ATOM 977 C ASN A 508 14.526 -4.326 -9.905 1.00 0.00 C ATOM 978 O ASN A 508 14.721 -3.147 -9.613 1.00 0.00 O ATOM 979 CB ASN A 508 12.881 -3.497 -11.600 1.00 0.00 C ATOM 980 CG ASN A 508 13.755 -2.368 -12.109 1.00 0.00 C ATOM 981 OD1 ASN A 508 13.935 -1.354 -11.433 1.00 0.00 O ATOM 982 ND2 ASN A 508 14.303 -2.537 -13.306 1.00 0.00 N ATOM 0 H ASN A 508 12.956 -6.637 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 508 14.380 -5.001 -11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 508 12.199 -3.809 -12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.268 -3.135 -10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.900 -1.811 -13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.127 -3.393 -13.831 1.00 0.00 H new ATOM 989 N ASP A 509 15.008 -5.338 -9.191 1.00 0.00 N ATOM 990 CA ASP A 509 15.813 -5.116 -7.996 1.00 0.00 C ATOM 991 C ASP A 509 15.045 -4.294 -6.965 1.00 0.00 C ATOM 992 O ASP A 509 15.636 -3.544 -6.189 1.00 0.00 O ATOM 993 CB ASP A 509 17.119 -4.407 -8.359 1.00 0.00 C ATOM 994 CG ASP A 509 18.083 -4.333 -7.191 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.872 -5.061 -6.199 1.00 0.00 O ATOM 996 OD2 ASP A 509 19.050 -3.546 -7.268 1.00 0.00 O ATOM 0 H ASP A 509 14.855 -6.320 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 509 16.044 -6.088 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.596 -4.932 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.897 -3.398 -8.707 1.00 0.00 H new ATOM 1001 N LYS A 510 13.724 -4.442 -6.963 1.00 0.00 N ATOM 1002 CA LYS A 510 12.875 -3.715 -6.027 1.00 0.00 C ATOM 1003 C LYS A 510 11.729 -4.594 -5.537 1.00 0.00 C ATOM 1004 O LYS A 510 11.146 -5.357 -6.305 1.00 0.00 O ATOM 1005 CB LYS A 510 12.317 -2.452 -6.689 1.00 0.00 C ATOM 1006 CG LYS A 510 11.604 -1.524 -5.719 1.00 0.00 C ATOM 1007 CD LYS A 510 10.809 -0.456 -6.453 1.00 0.00 C ATOM 1008 CE LYS A 510 11.724 0.556 -7.125 1.00 0.00 C ATOM 1009 NZ LYS A 510 12.603 1.247 -6.142 1.00 0.00 N ATOM 0 H LYS A 510 13.219 -5.059 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 510 13.483 -3.430 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.134 -1.909 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.624 -2.741 -7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.935 -2.104 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.335 -1.050 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.172 -0.926 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.151 0.056 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 510 12.339 0.051 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.122 1.294 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.625 2.265 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 12.233 1.099 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 13.566 0.860 -6.205 1.00 0.00 H new ATOM 1023 N MET A 511 11.412 -4.480 -4.251 1.00 0.00 N ATOM 1024 CA MET A 511 10.335 -5.265 -3.658 1.00 0.00 C ATOM 1025 C MET A 511 8.973 -4.758 -4.121 1.00 0.00 C ATOM 1026 O MET A 511 8.664 -3.574 -3.992 1.00 0.00 O ATOM 1027 CB MET A 511 10.418 -5.213 -2.131 1.00 0.00 C ATOM 1028 CG MET A 511 10.591 -3.808 -1.577 1.00 0.00 C ATOM 1029 SD MET A 511 12.286 -3.464 -1.066 1.00 0.00 S ATOM 1030 CE MET A 511 12.485 -4.649 0.263 1.00 0.00 C ATOM 0 H MET A 511 11.885 -3.853 -3.600 1.00 0.00 H new ATOM 0 HA MET A 511 10.450 -6.298 -3.987 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.512 -5.651 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.253 -5.830 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.290 -3.084 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.925 -3.673 -0.725 1.00 0.00 H new ATOM 0 HE1 MET A 511 13.116 -4.220 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.509 -4.894 0.681 1.00 0.00 H new ATOM 0 HE3 MET A 511 12.952 -5.555 -0.124 1.00 0.00 H new ATOM 1040 N HIS A 512 8.165 -5.663 -4.663 1.00 0.00 N ATOM 1041 CA HIS A 512 6.835 -5.308 -5.147 1.00 0.00 C ATOM 1042 C HIS A 512 5.772 -6.212 -4.531 1.00 0.00 C ATOM 1043 O HIS A 512 6.048 -7.359 -4.175 1.00 0.00 O ATOM 1044 CB HIS A 512 6.781 -5.405 -6.673 1.00 0.00 C ATOM 1045 CG HIS A 512 7.473 -4.274 -7.368 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.797 -4.321 -7.750 1.00 0.00 N ATOM 1047 CD2 HIS A 512 7.015 -3.059 -7.755 1.00 0.00 C ATOM 1048 CE1 HIS A 512 9.124 -3.184 -8.338 1.00 0.00 C ATOM 1049 NE2 HIS A 512 8.062 -2.403 -8.354 1.00 0.00 N ATOM 0 H HIS A 512 8.407 -6.647 -4.778 1.00 0.00 H new ATOM 0 HA HIS A 512 6.630 -4.280 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.235 -6.345 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.739 -5.433 -6.991 1.00 0.00 H new ATOM 0 HD1 HIS A 512 9.426 -5.110 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 512 6.014 -2.678 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 512 10.096 -2.936 -8.738 1.00 0.00 H new ATOM 1058 N PHE A 513 4.557 -5.689 -4.407 1.00 0.00 N ATOM 1059 CA PHE A 513 3.453 -6.449 -3.834 1.00 0.00 C ATOM 1060 C PHE A 513 2.495 -6.922 -4.922 1.00 0.00 C ATOM 1061 O PHE A 513 2.027 -6.130 -5.739 1.00 0.00 O ATOM 1062 CB PHE A 513 2.697 -5.598 -2.810 1.00 0.00 C ATOM 1063 CG PHE A 513 3.415 -5.459 -1.498 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.244 -6.401 -0.499 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.259 -4.384 -1.265 1.00 0.00 C ATOM 1066 CE1 PHE A 513 3.899 -6.276 0.712 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.917 -4.253 -0.058 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.738 -5.200 0.932 1.00 0.00 C ATOM 0 H PHE A 513 4.312 -4.742 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 513 3.869 -7.324 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.527 -4.606 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.717 -6.042 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.591 -7.244 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.403 -3.641 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.755 -7.017 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.571 -3.411 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.253 -5.100 1.876 1.00 0.00 H new ATOM 1078 N SER A 514 2.206 -8.220 -4.925 1.00 0.00 N ATOM 1079 CA SER A 514 1.302 -8.799 -5.912 1.00 0.00 C ATOM 1080 C SER A 514 0.306 -9.744 -5.249 1.00 0.00 C ATOM 1081 O SER A 514 0.679 -10.570 -4.416 1.00 0.00 O ATOM 1082 CB SER A 514 2.097 -9.548 -6.984 1.00 0.00 C ATOM 1083 OG SER A 514 1.245 -10.019 -8.014 1.00 0.00 O ATOM 0 H SER A 514 2.585 -8.890 -4.255 1.00 0.00 H new ATOM 0 HA SER A 514 0.747 -7.986 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.854 -8.888 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.624 -10.388 -6.531 1.00 0.00 H new ATOM 0 HG SER A 514 1.777 -10.492 -8.687 1.00 0.00 H new ATOM 1089 N LEU A 515 -0.963 -9.616 -5.621 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.014 -10.459 -5.062 1.00 0.00 C ATOM 1091 C LEU A 515 -2.626 -11.352 -6.136 1.00 0.00 C ATOM 1092 O LEU A 515 -2.838 -10.922 -7.270 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.102 -9.595 -4.420 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.803 -9.134 -2.993 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.667 -7.937 -2.629 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -3.027 -10.273 -2.010 1.00 0.00 C ATOM 0 H LEU A 515 -1.289 -8.936 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.566 -11.095 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.262 -8.716 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.036 -10.157 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.757 -8.832 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.441 -7.622 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.461 -7.117 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.719 -8.213 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.810 -9.929 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.064 -10.603 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.368 -11.104 -2.260 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.911 -12.597 -5.769 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.502 -13.552 -6.699 1.00 0.00 C ATOM 1110 C LYS A 516 -4.790 -14.138 -6.129 1.00 0.00 C ATOM 1111 O LYS A 516 -4.760 -15.107 -5.371 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.511 -14.676 -7.009 1.00 0.00 C ATOM 1113 CG LYS A 516 -1.260 -14.201 -7.729 1.00 0.00 C ATOM 1114 CD LYS A 516 -0.363 -15.367 -8.113 1.00 0.00 C ATOM 1115 CE LYS A 516 0.941 -14.888 -8.731 1.00 0.00 C ATOM 1116 NZ LYS A 516 0.901 -14.936 -10.219 1.00 0.00 N ATOM 0 H LYS A 516 -2.742 -12.968 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.740 -13.023 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -2.222 -15.162 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -3.008 -15.429 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -1.542 -13.647 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -0.709 -13.512 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -0.149 -15.969 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -0.886 -16.012 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 516 1.143 -13.867 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 516 1.763 -15.506 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 1.808 -14.602 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 0.733 -15.914 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 0.133 -14.326 -10.566 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.919 -13.543 -6.499 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.218 -14.005 -6.026 1.00 0.00 C ATOM 1132 C GLU A 517 -7.303 -13.924 -4.505 1.00 0.00 C ATOM 1133 O GLU A 517 -8.364 -14.283 -3.953 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.470 -15.443 -6.485 1.00 0.00 C ATOM 1135 CG GLU A 517 -7.526 -15.597 -7.997 1.00 0.00 C ATOM 1136 CD GLU A 517 -7.849 -17.015 -8.429 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -7.799 -17.923 -7.573 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -8.153 -17.216 -9.624 1.00 0.00 O ATOM 1139 OXT GLU A 517 -6.307 -13.503 -3.880 1.00 0.00 O ATOM 0 H GLU A 517 -5.960 -12.739 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.983 -13.355 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -6.682 -16.085 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.409 -15.793 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -8.278 -14.919 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -6.568 -15.301 -8.424 1.00 0.00 H new TER 1146 GLU A 517 ATOM 1147 N GLY B 941 14.264 13.557 -8.251 1.00 0.00 N ATOM 1148 CA GLY B 941 13.280 12.746 -7.483 1.00 0.00 C ATOM 1149 C GLY B 941 13.345 13.014 -5.992 1.00 0.00 C ATOM 1150 O GLY B 941 13.987 12.272 -5.249 1.00 0.00 O ATOM 0 HA2 GLY B 941 12.275 12.962 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY B 941 13.464 11.688 -7.667 1.00 0.00 H new ATOM 1154 N SER B 942 12.679 14.077 -5.555 1.00 0.00 N ATOM 1155 CA SER B 942 12.663 14.443 -4.143 1.00 0.00 C ATOM 1156 C SER B 942 11.240 14.436 -3.594 1.00 0.00 C ATOM 1157 O SER B 942 10.299 14.838 -4.277 1.00 0.00 O ATOM 1158 CB SER B 942 13.291 15.823 -3.945 1.00 0.00 C ATOM 1159 OG SER B 942 13.388 16.148 -2.569 1.00 0.00 O ATOM 0 H SER B 942 12.143 14.701 -6.158 1.00 0.00 H new ATOM 0 HA SER B 942 13.248 13.703 -3.596 1.00 0.00 H new ATOM 0 HB2 SER B 942 14.283 15.843 -4.397 1.00 0.00 H new ATOM 0 HB3 SER B 942 12.692 16.575 -4.458 1.00 0.00 H new ATOM 0 HG SER B 942 13.794 17.034 -2.470 1.00 0.00 H new ATOM 1165 N SER B 943 11.091 13.975 -2.357 1.00 0.00 N ATOM 1166 CA SER B 943 9.783 13.915 -1.716 1.00 0.00 C ATOM 1167 C SER B 943 9.911 14.059 -0.203 1.00 0.00 C ATOM 1168 O SER B 943 9.219 14.869 0.413 1.00 0.00 O ATOM 1169 CB SER B 943 9.084 12.598 -2.057 1.00 0.00 C ATOM 1170 OG SER B 943 9.601 12.040 -3.253 1.00 0.00 O ATOM 0 H SER B 943 11.860 13.637 -1.778 1.00 0.00 H new ATOM 0 HA SER B 943 9.184 14.744 -2.092 1.00 0.00 H new ATOM 0 HB2 SER B 943 9.213 11.891 -1.237 1.00 0.00 H new ATOM 0 HB3 SER B 943 8.013 12.769 -2.165 1.00 0.00 H new ATOM 0 HG SER B 943 8.957 11.399 -3.620 1.00 0.00 H new ATOM 1176 N SER B 944 10.802 13.267 0.388 1.00 0.00 N ATOM 1177 CA SER B 944 11.027 13.301 1.831 1.00 0.00 C ATOM 1178 C SER B 944 9.805 12.787 2.587 1.00 0.00 C ATOM 1179 O SER B 944 9.840 11.709 3.180 1.00 0.00 O ATOM 1180 CB SER B 944 11.366 14.722 2.287 1.00 0.00 C ATOM 1181 OG SER B 944 12.422 15.268 1.515 1.00 0.00 O ATOM 0 H SER B 944 11.381 12.592 -0.111 1.00 0.00 H new ATOM 0 HA SER B 944 11.870 12.647 2.055 1.00 0.00 H new ATOM 0 HB2 SER B 944 10.483 15.355 2.200 1.00 0.00 H new ATOM 0 HB3 SER B 944 11.649 14.712 3.340 1.00 0.00 H new ATOM 0 HG SER B 944 12.618 16.177 1.825 1.00 0.00 H new ATOM 1187 N GLU B 945 8.729 13.565 2.565 1.00 0.00 N ATOM 1188 CA GLU B 945 7.498 13.186 3.250 1.00 0.00 C ATOM 1189 C GLU B 945 6.952 11.871 2.702 1.00 0.00 C ATOM 1190 O GLU B 945 6.413 11.053 3.446 1.00 0.00 O ATOM 1191 CB GLU B 945 6.448 14.289 3.103 1.00 0.00 C ATOM 1192 CG GLU B 945 5.180 14.031 3.902 1.00 0.00 C ATOM 1193 CD GLU B 945 4.115 15.085 3.666 1.00 0.00 C ATOM 1194 OE1 GLU B 945 4.351 15.996 2.843 1.00 0.00 O ATOM 1195 OE2 GLU B 945 3.044 15.000 4.303 1.00 0.00 O ATOM 0 H GLU B 945 8.684 14.462 2.081 1.00 0.00 H new ATOM 0 HA GLU B 945 7.727 13.050 4.307 1.00 0.00 H new ATOM 0 HB2 GLU B 945 6.882 15.237 3.421 1.00 0.00 H new ATOM 0 HB3 GLU B 945 6.189 14.395 2.050 1.00 0.00 H new ATOM 0 HG2 GLU B 945 4.781 13.052 3.637 1.00 0.00 H new ATOM 0 HG3 GLU B 945 5.425 13.999 4.964 1.00 0.00 H new ATOM 1202 N ALA B 946 7.096 11.676 1.395 1.00 0.00 N ATOM 1203 CA ALA B 946 6.617 10.462 0.747 1.00 0.00 C ATOM 1204 C ALA B 946 7.464 9.257 1.143 1.00 0.00 C ATOM 1205 O ALA B 946 6.951 8.149 1.297 1.00 0.00 O ATOM 1206 CB ALA B 946 6.617 10.636 -0.764 1.00 0.00 C ATOM 0 H ALA B 946 7.541 12.343 0.765 1.00 0.00 H new ATOM 0 HA ALA B 946 5.596 10.280 1.081 1.00 0.00 H new ATOM 0 HB1 ALA B 946 6.257 9.722 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.964 11.465 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA B 946 7.630 10.846 -1.106 1.00 0.00 H new ATOM 1212 N ASP B 947 8.764 9.482 1.304 1.00 0.00 N ATOM 1213 CA ASP B 947 9.684 8.414 1.680 1.00 0.00 C ATOM 1214 C ASP B 947 9.292 7.803 3.023 1.00 0.00 C ATOM 1215 O ASP B 947 9.275 6.582 3.179 1.00 0.00 O ATOM 1216 CB ASP B 947 11.116 8.946 1.747 1.00 0.00 C ATOM 1217 CG ASP B 947 12.133 7.841 1.955 1.00 0.00 C ATOM 1218 OD1 ASP B 947 12.538 7.212 0.955 1.00 0.00 O ATOM 1219 OD2 ASP B 947 12.527 7.607 3.117 1.00 0.00 O ATOM 0 H ASP B 947 9.204 10.394 1.180 1.00 0.00 H new ATOM 0 HA ASP B 947 9.628 7.636 0.918 1.00 0.00 H new ATOM 0 HB2 ASP B 947 11.346 9.479 0.825 1.00 0.00 H new ATOM 0 HB3 ASP B 947 11.195 9.667 2.560 1.00 0.00 H new ATOM 1224 N GLU B 948 8.978 8.661 3.988 1.00 0.00 N ATOM 1225 CA GLU B 948 8.587 8.204 5.318 1.00 0.00 C ATOM 1226 C GLU B 948 7.163 7.659 5.310 1.00 0.00 C ATOM 1227 O GLU B 948 6.840 6.729 6.047 1.00 0.00 O ATOM 1228 CB GLU B 948 8.704 9.347 6.328 1.00 0.00 C ATOM 1229 CG GLU B 948 7.755 10.502 6.052 1.00 0.00 C ATOM 1230 CD GLU B 948 7.914 11.636 7.046 1.00 0.00 C ATOM 1231 OE1 GLU B 948 7.533 11.455 8.221 1.00 0.00 O ATOM 1232 OE2 GLU B 948 8.420 12.706 6.648 1.00 0.00 O ATOM 0 H GLU B 948 8.986 9.675 3.875 1.00 0.00 H new ATOM 0 HA GLU B 948 9.262 7.400 5.611 1.00 0.00 H new ATOM 0 HB2 GLU B 948 8.509 8.959 7.328 1.00 0.00 H new ATOM 0 HB3 GLU B 948 9.728 9.720 6.325 1.00 0.00 H new ATOM 0 HG2 GLU B 948 7.931 10.879 5.045 1.00 0.00 H new ATOM 0 HG3 GLU B 948 6.728 10.139 6.082 1.00 0.00 H new ATOM 1239 N MET B 949 6.315 8.245 4.470 1.00 0.00 N ATOM 1240 CA MET B 949 4.924 7.817 4.366 1.00 0.00 C ATOM 1241 C MET B 949 4.833 6.375 3.878 1.00 0.00 C ATOM 1242 O MET B 949 4.054 5.579 4.401 1.00 0.00 O ATOM 1243 CB MET B 949 4.154 8.743 3.420 1.00 0.00 C ATOM 1244 CG MET B 949 2.941 9.397 4.061 1.00 0.00 C ATOM 1245 SD MET B 949 2.017 10.430 2.909 1.00 0.00 S ATOM 1246 CE MET B 949 0.372 9.742 3.078 1.00 0.00 C ATOM 0 H MET B 949 6.566 9.017 3.852 1.00 0.00 H new ATOM 0 HA MET B 949 4.476 7.871 5.358 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.827 9.521 3.059 1.00 0.00 H new ATOM 0 HB3 MET B 949 3.831 8.172 2.550 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.283 8.623 4.457 1.00 0.00 H new ATOM 0 HG3 MET B 949 3.265 10.003 4.907 1.00 0.00 H new ATOM 0 HE1 MET B 949 0.126 9.164 2.187 1.00 0.00 H new ATOM 0 HE2 MET B 949 0.337 9.093 3.953 1.00 0.00 H new ATOM 0 HE3 MET B 949 -0.350 10.550 3.197 1.00 0.00 H new ATOM 1256 N ALA B 950 5.637 6.046 2.872 1.00 0.00 N ATOM 1257 CA ALA B 950 5.649 4.699 2.312 1.00 0.00 C ATOM 1258 C ALA B 950 6.487 3.754 3.165 1.00 0.00 C ATOM 1259 O ALA B 950 6.211 2.556 3.236 1.00 0.00 O ATOM 1260 CB ALA B 950 6.172 4.727 0.883 1.00 0.00 C ATOM 0 H ALA B 950 6.288 6.693 2.428 1.00 0.00 H new ATOM 0 HA ALA B 950 4.625 4.327 2.307 1.00 0.00 H new ATOM 0 HB1 ALA B 950 6.176 3.715 0.477 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.529 5.361 0.272 1.00 0.00 H new ATOM 0 HB3 ALA B 950 7.187 5.125 0.875 1.00 0.00 H new ATOM 1266 N LYS B 951 7.514 4.299 3.811 1.00 0.00 N ATOM 1267 CA LYS B 951 8.394 3.504 4.659 1.00 0.00 C ATOM 1268 C LYS B 951 7.608 2.824 5.776 1.00 0.00 C ATOM 1269 O LYS B 951 7.826 1.649 6.074 1.00 0.00 O ATOM 1270 CB LYS B 951 9.492 4.384 5.257 1.00 0.00 C ATOM 1271 CG LYS B 951 10.512 3.612 6.077 1.00 0.00 C ATOM 1272 CD LYS B 951 11.464 2.827 5.189 1.00 0.00 C ATOM 1273 CE LYS B 951 12.528 2.112 6.006 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.848 2.112 5.319 1.00 0.00 N ATOM 0 H LYS B 951 7.757 5.289 3.763 1.00 0.00 H new ATOM 0 HA LYS B 951 8.852 2.732 4.040 1.00 0.00 H new ATOM 0 HB2 LYS B 951 10.007 4.906 4.451 1.00 0.00 H new ATOM 0 HB3 LYS B 951 9.033 5.145 5.887 1.00 0.00 H new ATOM 0 HG2 LYS B 951 11.080 4.305 6.698 1.00 0.00 H new ATOM 0 HG3 LYS B 951 9.996 2.929 6.752 1.00 0.00 H new ATOM 0 HD2 LYS B 951 10.901 2.098 4.606 1.00 0.00 H new ATOM 0 HD3 LYS B 951 11.942 3.503 4.480 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.625 2.595 6.978 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.215 1.084 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.546 1.615 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 13.762 1.629 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 14.160 3.092 5.166 1.00 0.00 H new ATOM 1288 N ALA B 952 6.695 3.569 6.390 1.00 0.00 N ATOM 1289 CA ALA B 952 5.879 3.037 7.473 1.00 0.00 C ATOM 1290 C ALA B 952 4.918 1.969 6.965 1.00 0.00 C ATOM 1291 O ALA B 952 4.639 0.990 7.658 1.00 0.00 O ATOM 1292 CB ALA B 952 5.109 4.161 8.152 1.00 0.00 C ATOM 0 H ALA B 952 6.502 4.543 6.156 1.00 0.00 H new ATOM 0 HA ALA B 952 6.544 2.572 8.201 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.503 3.751 8.960 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.811 4.889 8.559 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.461 4.649 7.424 1.00 0.00 H new ATOM 1298 N LEU B 953 4.415 2.162 5.751 1.00 0.00 N ATOM 1299 CA LEU B 953 3.484 1.214 5.150 1.00 0.00 C ATOM 1300 C LEU B 953 4.137 -0.153 4.970 1.00 0.00 C ATOM 1301 O LEU B 953 3.581 -1.175 5.369 1.00 0.00 O ATOM 1302 CB LEU B 953 2.992 1.738 3.798 1.00 0.00 C ATOM 1303 CG LEU B 953 1.766 1.018 3.231 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.508 1.838 3.467 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.952 0.736 1.746 1.00 0.00 C ATOM 0 H LEU B 953 4.636 2.966 5.164 1.00 0.00 H new ATOM 0 HA LEU B 953 2.633 1.104 5.822 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.757 2.798 3.900 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.806 1.660 3.077 1.00 0.00 H new ATOM 0 HG LEU B 953 1.656 0.066 3.750 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.353 1.310 3.057 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.366 1.987 4.537 1.00 0.00 H new ATOM 0 HD13 LEU B 953 0.607 2.806 2.976 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.071 0.224 1.360 1.00 0.00 H new ATOM 0 HD22 LEU B 953 2.089 1.676 1.211 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.830 0.106 1.602 1.00 0.00 H new ATOM 1317 N GLU B 954 5.321 -0.162 4.365 1.00 0.00 N ATOM 1318 CA GLU B 954 6.052 -1.402 4.132 1.00 0.00 C ATOM 1319 C GLU B 954 6.615 -1.958 5.436 1.00 0.00 C ATOM 1320 O GLU B 954 6.656 -3.172 5.639 1.00 0.00 O ATOM 1321 CB GLU B 954 7.186 -1.169 3.133 1.00 0.00 C ATOM 1322 CG GLU B 954 7.918 -2.442 2.734 1.00 0.00 C ATOM 1323 CD GLU B 954 9.113 -2.175 1.840 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.371 -0.993 1.528 1.00 0.00 O ATOM 1325 OE2 GLU B 954 9.792 -3.149 1.451 1.00 0.00 O ATOM 0 H GLU B 954 5.794 0.676 4.027 1.00 0.00 H new ATOM 0 HA GLU B 954 5.355 -2.132 3.719 1.00 0.00 H new ATOM 0 HB2 GLU B 954 6.779 -0.698 2.238 1.00 0.00 H new ATOM 0 HB3 GLU B 954 7.901 -0.469 3.565 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.251 -2.962 3.633 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.226 -3.108 2.219 1.00 0.00 H new ATOM 1332 N ALA B 955 7.049 -1.062 6.315 1.00 0.00 N ATOM 1333 CA ALA B 955 7.613 -1.460 7.599 1.00 0.00 C ATOM 1334 C ALA B 955 6.578 -2.180 8.461 1.00 0.00 C ATOM 1335 O ALA B 955 6.931 -2.955 9.349 1.00 0.00 O ATOM 1336 CB ALA B 955 8.158 -0.245 8.334 1.00 0.00 C ATOM 0 H ALA B 955 7.021 -0.054 6.162 1.00 0.00 H new ATOM 0 HA ALA B 955 8.430 -2.155 7.406 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.576 -0.556 9.291 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.937 0.225 7.733 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.352 0.469 8.505 1.00 0.00 H new ATOM 1342 N GLU B 956 5.303 -1.915 8.198 1.00 0.00 N ATOM 1343 CA GLU B 956 4.223 -2.539 8.956 1.00 0.00 C ATOM 1344 C GLU B 956 3.861 -3.907 8.383 1.00 0.00 C ATOM 1345 O GLU B 956 3.657 -4.866 9.127 1.00 0.00 O ATOM 1346 CB GLU B 956 2.989 -1.634 8.960 1.00 0.00 C ATOM 1347 CG GLU B 956 1.850 -2.167 9.814 1.00 0.00 C ATOM 1348 CD GLU B 956 2.148 -2.088 11.298 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.979 -1.243 11.693 1.00 0.00 O ATOM 1350 OE2 GLU B 956 1.549 -2.870 12.067 1.00 0.00 O ATOM 0 H GLU B 956 4.992 -1.274 7.468 1.00 0.00 H new ATOM 0 HA GLU B 956 4.571 -2.680 9.979 1.00 0.00 H new ATOM 0 HB2 GLU B 956 3.274 -0.646 9.323 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.637 -1.508 7.936 1.00 0.00 H new ATOM 0 HG2 GLU B 956 0.944 -1.601 9.599 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.651 -3.204 9.542 1.00 0.00 H new ATOM 1357 N LEU B 957 3.770 -3.986 7.059 1.00 0.00 N ATOM 1358 CA LEU B 957 3.418 -5.235 6.390 1.00 0.00 C ATOM 1359 C LEU B 957 4.599 -6.202 6.340 1.00 0.00 C ATOM 1360 O LEU B 957 4.412 -7.415 6.245 1.00 0.00 O ATOM 1361 CB LEU B 957 2.913 -4.953 4.971 1.00 0.00 C ATOM 1362 CG LEU B 957 1.502 -5.466 4.670 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.217 -5.401 3.178 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.329 -6.889 5.181 1.00 0.00 C ATOM 0 H LEU B 957 3.935 -3.201 6.428 1.00 0.00 H new ATOM 0 HA LEU B 957 2.624 -5.706 6.970 1.00 0.00 H new ATOM 0 HB2 LEU B 957 2.935 -3.877 4.801 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.606 -5.402 4.259 1.00 0.00 H new ATOM 0 HG LEU B 957 0.788 -4.825 5.187 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.210 -5.770 2.984 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.298 -4.369 2.837 1.00 0.00 H new ATOM 0 HD13 LEU B 957 1.939 -6.018 2.643 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.320 -7.236 4.958 1.00 0.00 H new ATOM 0 HD22 LEU B 957 2.053 -7.541 4.693 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.490 -6.911 6.259 1.00 0.00 H new ATOM 1376 N ASN B 958 5.813 -5.664 6.400 1.00 0.00 N ATOM 1377 CA ASN B 958 7.016 -6.492 6.355 1.00 0.00 C ATOM 1378 C ASN B 958 7.031 -7.516 7.491 1.00 0.00 C ATOM 1379 O ASN B 958 7.756 -8.510 7.430 1.00 0.00 O ATOM 1380 CB ASN B 958 8.272 -5.616 6.413 1.00 0.00 C ATOM 1381 CG ASN B 958 8.471 -4.962 7.769 1.00 0.00 C ATOM 1382 OD1 ASN B 958 7.697 -5.180 8.698 1.00 0.00 O ATOM 1383 ND2 ASN B 958 9.519 -4.153 7.884 1.00 0.00 N ATOM 0 H ASN B 958 5.991 -4.663 6.480 1.00 0.00 H new ATOM 0 HA ASN B 958 7.009 -7.037 5.411 1.00 0.00 H new ATOM 0 HB2 ASN B 958 9.145 -6.224 6.176 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.206 -4.843 5.648 1.00 0.00 H new ATOM 0 HD21 ASN B 958 9.707 -3.684 8.770 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.136 -4.001 7.086 1.00 0.00 H new ATOM 1390 N ASP B 959 6.234 -7.268 8.527 1.00 0.00 N ATOM 1391 CA ASP B 959 6.166 -8.168 9.672 1.00 0.00 C ATOM 1392 C ASP B 959 5.533 -9.503 9.289 1.00 0.00 C ATOM 1393 O ASP B 959 5.874 -10.543 9.853 1.00 0.00 O ATOM 1394 CB ASP B 959 5.370 -7.522 10.807 1.00 0.00 C ATOM 1395 CG ASP B 959 5.518 -8.271 12.117 1.00 0.00 C ATOM 1396 OD1 ASP B 959 6.441 -9.106 12.224 1.00 0.00 O ATOM 1397 OD2 ASP B 959 4.710 -8.023 13.037 1.00 0.00 O ATOM 0 H ASP B 959 5.627 -6.451 8.596 1.00 0.00 H new ATOM 0 HA ASP B 959 7.185 -8.357 10.009 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.703 -6.493 10.941 1.00 0.00 H new ATOM 0 HB3 ASP B 959 4.316 -7.483 10.531 1.00 0.00 H new ATOM 1402 N LEU B 960 4.610 -9.470 8.331 1.00 0.00 N ATOM 1403 CA LEU B 960 3.936 -10.685 7.883 1.00 0.00 C ATOM 1404 C LEU B 960 4.947 -11.742 7.450 1.00 0.00 C ATOM 1405 O LEU B 960 4.781 -12.929 7.731 1.00 0.00 O ATOM 1406 CB LEU B 960 2.982 -10.380 6.723 1.00 0.00 C ATOM 1407 CG LEU B 960 1.714 -9.596 7.086 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.714 -9.664 5.941 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.092 -10.131 8.369 1.00 0.00 C ATOM 0 H LEU B 960 4.313 -8.620 7.852 1.00 0.00 H new ATOM 0 HA LEU B 960 3.361 -11.073 8.724 1.00 0.00 H new ATOM 0 HB2 LEU B 960 3.529 -9.818 5.966 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.684 -11.323 6.266 1.00 0.00 H new ATOM 0 HG LEU B 960 1.989 -8.555 7.254 1.00 0.00 H new ATOM 0 HD11 LEU B 960 -0.183 -9.105 6.208 1.00 0.00 H new ATOM 0 HD12 LEU B 960 1.158 -9.232 5.044 1.00 0.00 H new ATOM 0 HD13 LEU B 960 0.450 -10.704 5.750 1.00 0.00 H new ATOM 0 HD21 LEU B 960 0.195 -9.559 8.605 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.828 -11.180 8.236 1.00 0.00 H new ATOM 0 HD23 LEU B 960 1.807 -10.038 9.186 1.00 0.00 H new ATOM 1421 N MET B 961 5.993 -11.300 6.762 1.00 0.00 N ATOM 1422 CA MET B 961 7.034 -12.204 6.287 1.00 0.00 C ATOM 1423 C MET B 961 6.450 -13.273 5.368 1.00 0.00 C ATOM 1424 O MET B 961 6.479 -13.074 4.136 1.00 0.00 O ATOM 1425 CB MET B 961 7.746 -12.864 7.469 1.00 0.00 C ATOM 1426 CG MET B 961 8.941 -13.710 7.064 1.00 0.00 C ATOM 1427 SD MET B 961 9.660 -14.607 8.453 1.00 0.00 S ATOM 1428 CE MET B 961 8.422 -15.875 8.714 1.00 0.00 C ATOM 1429 OXT MET B 961 5.969 -14.301 5.890 1.00 0.00 O ATOM 0 H MET B 961 6.143 -10.320 6.520 1.00 0.00 H new ATOM 0 HA MET B 961 7.756 -11.618 5.719 1.00 0.00 H new ATOM 0 HB2 MET B 961 8.077 -12.090 8.161 1.00 0.00 H new ATOM 0 HB3 MET B 961 7.034 -13.490 8.008 1.00 0.00 H new ATOM 0 HG2 MET B 961 8.634 -14.421 6.297 1.00 0.00 H new ATOM 0 HG3 MET B 961 9.701 -13.068 6.618 1.00 0.00 H new ATOM 0 HE1 MET B 961 8.828 -16.651 9.363 1.00 0.00 H new ATOM 0 HE2 MET B 961 7.542 -15.434 9.182 1.00 0.00 H new ATOM 0 HE3 MET B 961 8.142 -16.313 7.756 1.00 0.00 H new TER 1439 MET B 961