USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 505 LYS NZ :NH3+ -145:sc= -0.594 (180deg=-0.833) USER MOD Set 1.2: A 514 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 511 MET CE :methyl -121:sc= -0.811 (180deg=-0.57) USER MOD Set 2.2: B 958 ASN :FLIP amide:sc= -0.296 F(o=-4.5,f=-1.1) USER MOD Set 3.1: A 485 SER OG : rot 116:sc= 0.539 USER MOD Set 3.2: A 488 GLN :FLIP amide:sc= 0.14 F(o=-0.22,f=0.68) USER MOD Set 4.1: A 478 GLN : amide:sc= -9.52! C(o=-13!,f=-18!) USER MOD Set 4.2: B 949 MET CE :methyl -136:sc= -3.09 (180deg=-3.44!) USER MOD Single : A 453 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 462 TYR OH : rot 150:sc=-0.00627 USER MOD Single : A 464 THR OG1 : rot 46:sc= -0.0558 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -139:sc= -2.91! (180deg=-8.94!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 60:sc= -0.84 USER MOD Single : A 471 LYS NZ :NH3+ -172:sc=-0.00517 (180deg=-0.105) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -47:sc= -0.957 USER MOD Single : A 480 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0131) USER MOD Single : A 481 LYS NZ :NH3+ 169:sc= -0.0055 (180deg=-0.146) USER MOD Single : A 482 THR OG1 : rot 110:sc= -0.53 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 489 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 491 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 495 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.2) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.362 K(o=-0.36,f=-4.1!) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.64) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-4.5!) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 961 MET CE :methyl 176:sc= 0 (180deg=-0.0343) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -13.948 6.609 0.362 1.00 0.00 N ATOM 30 CA GLN A 453 -13.592 5.724 1.466 1.00 0.00 C ATOM 31 C GLN A 453 -12.558 4.694 1.024 1.00 0.00 C ATOM 32 O GLN A 453 -12.527 4.289 -0.137 1.00 0.00 O ATOM 33 CB GLN A 453 -14.839 5.017 2.001 1.00 0.00 C ATOM 34 CG GLN A 453 -14.579 4.189 3.249 1.00 0.00 C ATOM 35 CD GLN A 453 -15.809 3.433 3.713 1.00 0.00 C ATOM 36 OE1 GLN A 453 -15.835 2.130 3.453 1.00 0.00 O flip ATOM 37 NE2 GLN A 453 -16.724 4.011 4.298 1.00 0.00 N flip ATOM 0 HA GLN A 453 -13.157 6.330 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.603 5.763 2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -15.242 4.369 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.775 3.480 3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -14.236 4.844 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.662 5.013 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -17.544 3.488 4.604 1.00 0.00 H new ATOM 46 N VAL A 454 -11.713 4.273 1.960 1.00 0.00 N ATOM 47 CA VAL A 454 -10.677 3.290 1.666 1.00 0.00 C ATOM 48 C VAL A 454 -10.991 1.950 2.323 1.00 0.00 C ATOM 49 O VAL A 454 -11.259 1.883 3.523 1.00 0.00 O ATOM 50 CB VAL A 454 -9.293 3.772 2.144 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.205 2.810 1.690 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.013 5.180 1.642 1.00 0.00 C ATOM 0 H VAL A 454 -11.726 4.597 2.927 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.656 3.166 0.583 1.00 0.00 H new ATOM 0 HB VAL A 454 -9.295 3.794 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.235 3.167 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.397 1.821 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.202 2.752 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.032 5.502 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.032 5.188 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.774 5.860 2.023 1.00 0.00 H new ATOM 62 N THR A 455 -10.957 0.885 1.529 1.00 0.00 N ATOM 63 CA THR A 455 -11.238 -0.455 2.032 1.00 0.00 C ATOM 64 C THR A 455 -10.148 -1.434 1.610 1.00 0.00 C ATOM 65 O THR A 455 -9.408 -1.183 0.659 1.00 0.00 O ATOM 66 CB THR A 455 -12.598 -0.939 1.527 1.00 0.00 C ATOM 67 OG1 THR A 455 -12.537 -1.251 0.146 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.704 0.077 1.719 1.00 0.00 C ATOM 0 H THR A 455 -10.737 0.924 0.534 1.00 0.00 H new ATOM 0 HA THR A 455 -11.259 -0.409 3.121 1.00 0.00 H new ATOM 0 HB THR A 455 -12.830 -1.822 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 455 -13.416 -1.560 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.641 -0.330 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 455 -13.810 0.304 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.458 0.989 1.176 1.00 0.00 H new ATOM 76 N GLU A 456 -10.056 -2.552 2.323 1.00 0.00 N ATOM 77 CA GLU A 456 -9.056 -3.570 2.022 1.00 0.00 C ATOM 78 C GLU A 456 -9.293 -4.175 0.641 1.00 0.00 C ATOM 79 O GLU A 456 -8.349 -4.425 -0.108 1.00 0.00 O ATOM 80 CB GLU A 456 -9.083 -4.671 3.084 1.00 0.00 C ATOM 81 CG GLU A 456 -8.024 -5.742 2.876 1.00 0.00 C ATOM 82 CD GLU A 456 -8.102 -6.851 3.909 1.00 0.00 C ATOM 83 OE1 GLU A 456 -9.025 -6.816 4.750 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.239 -7.753 3.876 1.00 0.00 O ATOM 0 H GLU A 456 -10.661 -2.776 3.113 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.076 -3.093 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -8.944 -4.220 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.067 -5.140 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.137 -6.170 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.036 -5.283 2.916 1.00 0.00 H new ATOM 91 N ASP A 457 -10.560 -4.406 0.312 1.00 0.00 N ATOM 92 CA ASP A 457 -10.920 -4.980 -0.979 1.00 0.00 C ATOM 93 C ASP A 457 -10.473 -4.075 -2.123 1.00 0.00 C ATOM 94 O ASP A 457 -10.023 -4.550 -3.165 1.00 0.00 O ATOM 95 CB ASP A 457 -12.431 -5.208 -1.055 1.00 0.00 C ATOM 96 CG ASP A 457 -12.907 -6.264 -0.076 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.059 -7.025 0.436 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.128 -6.329 0.179 1.00 0.00 O ATOM 0 H ASP A 457 -11.353 -4.205 0.921 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.408 -5.937 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -12.948 -4.270 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -12.700 -5.508 -2.068 1.00 0.00 H new ATOM 103 N ALA A 458 -10.601 -2.767 -1.919 1.00 0.00 N ATOM 104 CA ALA A 458 -10.211 -1.795 -2.933 1.00 0.00 C ATOM 105 C ALA A 458 -8.708 -1.839 -3.188 1.00 0.00 C ATOM 106 O ALA A 458 -8.263 -1.813 -4.335 1.00 0.00 O ATOM 107 CB ALA A 458 -10.636 -0.396 -2.512 1.00 0.00 C ATOM 0 H ALA A 458 -10.971 -2.357 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 458 -10.718 -2.054 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.339 0.320 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -11.719 -0.366 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.156 -0.138 -1.568 1.00 0.00 H new ATOM 113 N VAL A 459 -7.931 -1.907 -2.111 1.00 0.00 N ATOM 114 CA VAL A 459 -6.478 -1.955 -2.220 1.00 0.00 C ATOM 115 C VAL A 459 -6.025 -3.198 -2.976 1.00 0.00 C ATOM 116 O VAL A 459 -5.193 -3.119 -3.881 1.00 0.00 O ATOM 117 CB VAL A 459 -5.811 -1.940 -0.832 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.301 -1.819 -0.964 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.372 -0.809 0.019 1.00 0.00 C ATOM 0 H VAL A 459 -8.284 -1.930 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.172 -1.066 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.033 -2.884 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -3.849 -1.810 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -3.916 -2.667 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.054 -0.893 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -5.889 -0.815 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.184 0.145 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.446 -0.947 0.145 1.00 0.00 H new ATOM 129 N ARG A 460 -6.577 -4.348 -2.601 1.00 0.00 N ATOM 130 CA ARG A 460 -6.228 -5.610 -3.244 1.00 0.00 C ATOM 131 C ARG A 460 -6.592 -5.587 -4.725 1.00 0.00 C ATOM 132 O ARG A 460 -5.877 -6.142 -5.559 1.00 0.00 O ATOM 133 CB ARG A 460 -6.942 -6.772 -2.551 1.00 0.00 C ATOM 134 CG ARG A 460 -6.584 -8.134 -3.126 1.00 0.00 C ATOM 135 CD ARG A 460 -7.320 -9.254 -2.411 1.00 0.00 C ATOM 136 NE ARG A 460 -6.931 -9.355 -1.005 1.00 0.00 N ATOM 137 CZ ARG A 460 -7.513 -8.673 -0.020 1.00 0.00 C ATOM 138 NH1 ARG A 460 -8.511 -7.836 -0.277 1.00 0.00 N ATOM 139 NH2 ARG A 460 -7.094 -8.829 1.229 1.00 0.00 N ATOM 0 H ARG A 460 -7.268 -4.432 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.150 -5.748 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.695 -6.758 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.019 -6.625 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -6.829 -8.157 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.509 -8.293 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -8.394 -9.083 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.116 -10.200 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.167 -9.986 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -8.838 -7.711 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -8.951 -7.318 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -6.328 -9.470 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -7.538 -8.308 1.985 1.00 0.00 H new ATOM 153 N ARG A 461 -7.711 -4.944 -5.045 1.00 0.00 N ATOM 154 CA ARG A 461 -8.173 -4.850 -6.426 1.00 0.00 C ATOM 155 C ARG A 461 -7.111 -4.209 -7.316 1.00 0.00 C ATOM 156 O ARG A 461 -6.895 -4.641 -8.449 1.00 0.00 O ATOM 157 CB ARG A 461 -9.471 -4.044 -6.499 1.00 0.00 C ATOM 158 CG ARG A 461 -10.165 -4.129 -7.848 1.00 0.00 C ATOM 159 CD ARG A 461 -11.451 -3.318 -7.865 1.00 0.00 C ATOM 160 NE ARG A 461 -12.167 -3.451 -9.132 1.00 0.00 N ATOM 161 CZ ARG A 461 -12.971 -4.471 -9.427 1.00 0.00 C ATOM 162 NH1 ARG A 461 -13.162 -5.452 -8.553 1.00 0.00 N ATOM 163 NH2 ARG A 461 -13.585 -4.510 -10.601 1.00 0.00 N ATOM 0 H ARG A 461 -8.315 -4.480 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.360 -5.861 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.153 -4.399 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.253 -2.999 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -9.494 -3.766 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.387 -5.171 -8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -12.096 -3.644 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -11.219 -2.268 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 461 -12.044 -2.719 -9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.691 -5.428 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.779 -6.230 -8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -13.441 -3.760 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -14.201 -5.290 -10.829 1.00 0.00 H new ATOM 177 N TYR A 462 -6.451 -3.179 -6.797 1.00 0.00 N ATOM 178 CA TYR A 462 -5.411 -2.483 -7.547 1.00 0.00 C ATOM 179 C TYR A 462 -4.175 -3.362 -7.709 1.00 0.00 C ATOM 180 O TYR A 462 -3.578 -3.419 -8.783 1.00 0.00 O ATOM 181 CB TYR A 462 -5.034 -1.177 -6.845 1.00 0.00 C ATOM 182 CG TYR A 462 -6.149 -0.156 -6.821 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.518 0.527 -7.974 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.834 0.125 -5.645 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.536 1.461 -7.955 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.854 1.057 -5.619 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.200 1.722 -6.775 1.00 0.00 C ATOM 188 OH TYR A 462 -9.215 2.652 -6.753 1.00 0.00 O ATOM 0 H TYR A 462 -6.617 -2.808 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.804 -2.255 -8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.734 -1.399 -5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.167 -0.744 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.000 0.324 -8.900 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.565 -0.393 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.810 1.984 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -8.377 1.263 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.869 2.406 -6.066 1.00 0.00 H new ATOM 198 N LEU A 463 -3.796 -4.044 -6.633 1.00 0.00 N ATOM 199 CA LEU A 463 -2.631 -4.921 -6.654 1.00 0.00 C ATOM 200 C LEU A 463 -2.865 -6.118 -7.569 1.00 0.00 C ATOM 201 O LEU A 463 -1.941 -6.599 -8.225 1.00 0.00 O ATOM 202 CB LEU A 463 -2.303 -5.401 -5.239 1.00 0.00 C ATOM 203 CG LEU A 463 -1.736 -4.329 -4.307 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.163 -4.589 -2.871 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.219 -4.281 -4.414 1.00 0.00 C ATOM 0 H LEU A 463 -4.279 -4.006 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.786 -4.352 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.209 -5.808 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.585 -6.219 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.134 -3.361 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -1.750 -3.816 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.251 -4.573 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -1.795 -5.564 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 463 0.169 -3.513 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.196 -5.249 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 463 0.066 -4.046 -5.439 1.00 0.00 H new ATOM 217 N THR A 464 -4.104 -6.594 -7.608 1.00 0.00 N ATOM 218 CA THR A 464 -4.459 -7.735 -8.443 1.00 0.00 C ATOM 219 C THR A 464 -4.296 -7.400 -9.922 1.00 0.00 C ATOM 220 O THR A 464 -3.991 -8.272 -10.735 1.00 0.00 O ATOM 221 CB THR A 464 -5.897 -8.170 -8.160 1.00 0.00 C ATOM 222 OG1 THR A 464 -6.713 -7.049 -7.870 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.014 -9.136 -7.001 1.00 0.00 C ATOM 0 H THR A 464 -4.880 -6.207 -7.071 1.00 0.00 H new ATOM 0 HA THR A 464 -3.784 -8.556 -8.201 1.00 0.00 H new ATOM 0 HB THR A 464 -6.229 -8.675 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.538 -6.340 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.060 -9.404 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.436 -10.035 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.630 -8.666 -6.096 1.00 0.00 H new ATOM 231 N ARG A 465 -4.503 -6.133 -10.264 1.00 0.00 N ATOM 232 CA ARG A 465 -4.380 -5.686 -11.647 1.00 0.00 C ATOM 233 C ARG A 465 -2.926 -5.718 -12.102 1.00 0.00 C ATOM 234 O ARG A 465 -2.576 -6.414 -13.054 1.00 0.00 O ATOM 235 CB ARG A 465 -4.943 -4.271 -11.802 1.00 0.00 C ATOM 236 CG ARG A 465 -6.455 -4.201 -11.663 1.00 0.00 C ATOM 237 CD ARG A 465 -6.968 -2.784 -11.863 1.00 0.00 C ATOM 238 NE ARG A 465 -6.759 -2.310 -13.229 1.00 0.00 N ATOM 239 CZ ARG A 465 -5.645 -1.712 -13.648 1.00 0.00 C ATOM 240 NH1 ARG A 465 -4.634 -1.507 -12.812 1.00 0.00 N ATOM 241 NH2 ARG A 465 -5.542 -1.315 -14.908 1.00 0.00 N ATOM 0 H ARG A 465 -4.756 -5.398 -9.604 1.00 0.00 H new ATOM 0 HA ARG A 465 -4.954 -6.368 -12.274 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.487 -3.623 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.657 -3.880 -12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.920 -4.864 -12.393 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.748 -4.559 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.031 -2.747 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.463 -2.115 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.512 -2.445 -13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -4.707 -1.808 -11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -3.785 -1.048 -13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.315 -1.467 -15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -4.690 -0.857 -15.230 1.00 0.00 H new ATOM 255 N LYS A 466 -2.086 -4.960 -11.411 1.00 0.00 N ATOM 256 CA LYS A 466 -0.666 -4.896 -11.737 1.00 0.00 C ATOM 257 C LYS A 466 0.176 -4.715 -10.476 1.00 0.00 C ATOM 258 O LYS A 466 -0.249 -4.054 -9.528 1.00 0.00 O ATOM 259 CB LYS A 466 -0.397 -3.748 -12.712 1.00 0.00 C ATOM 260 CG LYS A 466 -1.006 -2.425 -12.277 1.00 0.00 C ATOM 261 CD LYS A 466 -0.141 -1.248 -12.697 1.00 0.00 C ATOM 262 CE LYS A 466 -0.189 -0.128 -11.672 1.00 0.00 C ATOM 263 NZ LYS A 466 0.942 0.827 -11.838 1.00 0.00 N ATOM 0 H LYS A 466 -2.363 -4.379 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.385 -5.838 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 466 0.680 -3.623 -12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -0.791 -4.015 -13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.000 -2.321 -12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.129 -2.419 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 466 0.889 -1.580 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -0.479 -0.873 -13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -1.133 0.408 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.161 -0.553 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.872 1.576 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 1.843 0.321 -11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 0.901 1.252 -12.786 1.00 0.00 H new ATOM 277 N PRO A 467 1.386 -5.300 -10.447 1.00 0.00 N ATOM 278 CA PRO A 467 2.284 -5.197 -9.292 1.00 0.00 C ATOM 279 C PRO A 467 2.565 -3.748 -8.908 1.00 0.00 C ATOM 280 O PRO A 467 2.878 -2.918 -9.764 1.00 0.00 O ATOM 281 CB PRO A 467 3.568 -5.880 -9.770 1.00 0.00 C ATOM 282 CG PRO A 467 3.134 -6.789 -10.865 1.00 0.00 C ATOM 283 CD PRO A 467 1.973 -6.107 -11.532 1.00 0.00 C ATOM 0 HA PRO A 467 1.852 -5.653 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.294 -5.150 -10.127 1.00 0.00 H new ATOM 0 HB3 PRO A 467 4.045 -6.435 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.944 -6.962 -11.573 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.841 -7.762 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.297 -5.485 -12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.258 -6.827 -11.930 1.00 0.00 H new ATOM 291 N MET A 468 2.453 -3.449 -7.619 1.00 0.00 N ATOM 292 CA MET A 468 2.697 -2.099 -7.123 1.00 0.00 C ATOM 293 C MET A 468 3.289 -2.134 -5.718 1.00 0.00 C ATOM 294 O MET A 468 2.996 -3.036 -4.933 1.00 0.00 O ATOM 295 CB MET A 468 1.399 -1.289 -7.124 1.00 0.00 C ATOM 296 CG MET A 468 0.199 -2.058 -6.595 1.00 0.00 C ATOM 297 SD MET A 468 -1.370 -1.302 -7.060 1.00 0.00 S ATOM 298 CE MET A 468 -1.176 0.337 -6.365 1.00 0.00 C ATOM 0 H MET A 468 2.195 -4.123 -6.898 1.00 0.00 H new ATOM 0 HA MET A 468 3.415 -1.619 -7.788 1.00 0.00 H new ATOM 0 HB2 MET A 468 1.540 -0.393 -6.520 1.00 0.00 H new ATOM 0 HB3 MET A 468 1.188 -0.958 -8.141 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.232 -3.080 -6.973 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.261 -2.118 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.114 0.652 -5.907 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.391 0.321 -5.609 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.905 1.037 -7.155 1.00 0.00 H new ATOM 308 N THR A 469 4.124 -1.147 -5.409 1.00 0.00 N ATOM 309 CA THR A 469 4.758 -1.066 -4.097 1.00 0.00 C ATOM 310 C THR A 469 3.802 -0.478 -3.065 1.00 0.00 C ATOM 311 O THR A 469 2.797 0.141 -3.417 1.00 0.00 O ATOM 312 CB THR A 469 6.028 -0.217 -4.175 1.00 0.00 C ATOM 313 OG1 THR A 469 5.709 1.145 -4.395 1.00 0.00 O ATOM 314 CG2 THR A 469 6.972 -0.651 -5.275 1.00 0.00 C ATOM 0 H THR A 469 4.377 -0.393 -6.048 1.00 0.00 H new ATOM 0 HA THR A 469 5.022 -2.077 -3.785 1.00 0.00 H new ATOM 0 HB THR A 469 6.526 -0.355 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.535 1.671 -4.440 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.852 -0.007 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.278 -1.683 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.468 -0.575 -6.238 1.00 0.00 H new ATOM 322 N THR A 470 4.121 -0.676 -1.791 1.00 0.00 N ATOM 323 CA THR A 470 3.291 -0.165 -0.706 1.00 0.00 C ATOM 324 C THR A 470 3.226 1.358 -0.739 1.00 0.00 C ATOM 325 O THR A 470 2.209 1.954 -0.388 1.00 0.00 O ATOM 326 CB THR A 470 3.834 -0.634 0.644 1.00 0.00 C ATOM 327 OG1 THR A 470 5.248 -0.722 0.613 1.00 0.00 O ATOM 328 CG2 THR A 470 3.298 -1.984 1.069 1.00 0.00 C ATOM 0 H THR A 470 4.949 -1.187 -1.484 1.00 0.00 H new ATOM 0 HA THR A 470 2.282 -0.556 -0.840 1.00 0.00 H new ATOM 0 HB THR A 470 3.501 0.113 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.626 0.158 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.723 -2.257 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.212 -1.935 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.572 -2.734 0.327 1.00 0.00 H new ATOM 336 N LYS A 471 4.321 1.983 -1.162 1.00 0.00 N ATOM 337 CA LYS A 471 4.389 3.438 -1.240 1.00 0.00 C ATOM 338 C LYS A 471 3.281 3.990 -2.132 1.00 0.00 C ATOM 339 O LYS A 471 2.648 4.993 -1.803 1.00 0.00 O ATOM 340 CB LYS A 471 5.754 3.877 -1.774 1.00 0.00 C ATOM 341 CG LYS A 471 5.948 5.384 -1.782 1.00 0.00 C ATOM 342 CD LYS A 471 7.288 5.771 -2.388 1.00 0.00 C ATOM 343 CE LYS A 471 7.539 7.265 -2.279 1.00 0.00 C ATOM 344 NZ LYS A 471 6.503 8.058 -2.996 1.00 0.00 N ATOM 0 H LYS A 471 5.173 1.505 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 471 4.253 3.836 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.536 3.422 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.877 3.498 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 471 5.143 5.852 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 471 5.885 5.765 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.087 5.229 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 471 7.314 5.472 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 471 7.554 7.554 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 471 8.522 7.498 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.783 9.060 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 6.411 7.708 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.591 7.962 -2.506 1.00 0.00 H new ATOM 358 N ASP A 472 3.051 3.328 -3.260 1.00 0.00 N ATOM 359 CA ASP A 472 2.019 3.752 -4.198 1.00 0.00 C ATOM 360 C ASP A 472 0.634 3.638 -3.569 1.00 0.00 C ATOM 361 O ASP A 472 -0.240 4.469 -3.815 1.00 0.00 O ATOM 362 CB ASP A 472 2.083 2.911 -5.476 1.00 0.00 C ATOM 363 CG ASP A 472 3.366 3.136 -6.251 1.00 0.00 C ATOM 364 OD1 ASP A 472 4.047 4.151 -5.994 1.00 0.00 O ATOM 365 OD2 ASP A 472 3.690 2.296 -7.118 1.00 0.00 O ATOM 0 H ASP A 472 3.565 2.495 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 472 2.200 4.797 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 472 1.998 1.855 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.231 3.154 -6.111 1.00 0.00 H new ATOM 370 N LEU A 473 0.443 2.603 -2.759 1.00 0.00 N ATOM 371 CA LEU A 473 -0.834 2.379 -2.093 1.00 0.00 C ATOM 372 C LEU A 473 -1.167 3.528 -1.148 1.00 0.00 C ATOM 373 O LEU A 473 -2.309 3.983 -1.084 1.00 0.00 O ATOM 374 CB LEU A 473 -0.804 1.059 -1.319 1.00 0.00 C ATOM 375 CG LEU A 473 -0.427 -0.170 -2.148 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.439 -1.421 -1.283 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.374 -0.328 -3.328 1.00 0.00 C ATOM 0 H LEU A 473 1.157 1.906 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.609 2.328 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.096 1.154 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.786 0.893 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 473 0.583 -0.028 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.168 -2.285 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.279 -1.309 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.436 -1.567 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.091 -1.207 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.394 -0.447 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.317 0.557 -3.962 1.00 0.00 H new ATOM 389 N LEU A 474 -0.161 3.995 -0.416 1.00 0.00 N ATOM 390 CA LEU A 474 -0.345 5.094 0.526 1.00 0.00 C ATOM 391 C LEU A 474 -0.633 6.399 -0.210 1.00 0.00 C ATOM 392 O LEU A 474 -1.583 7.110 0.116 1.00 0.00 O ATOM 393 CB LEU A 474 0.897 5.252 1.404 1.00 0.00 C ATOM 394 CG LEU A 474 0.695 6.085 2.671 1.00 0.00 C ATOM 395 CD1 LEU A 474 0.471 7.548 2.320 1.00 0.00 C ATOM 396 CD2 LEU A 474 -0.472 5.545 3.484 1.00 0.00 C ATOM 0 H LEU A 474 0.790 3.630 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.201 4.859 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.248 4.261 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 474 1.687 5.710 0.809 1.00 0.00 H new ATOM 0 HG LEU A 474 1.598 6.013 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 474 0.329 8.124 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 474 1.338 7.930 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -0.415 7.640 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.601 6.150 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -1.382 5.585 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.270 4.512 3.768 1.00 0.00 H new ATOM 408 N LYS A 475 0.194 6.705 -1.204 1.00 0.00 N ATOM 409 CA LYS A 475 0.029 7.923 -1.989 1.00 0.00 C ATOM 410 C LYS A 475 -1.279 7.893 -2.773 1.00 0.00 C ATOM 411 O LYS A 475 -1.931 8.921 -2.953 1.00 0.00 O ATOM 412 CB LYS A 475 1.208 8.101 -2.947 1.00 0.00 C ATOM 413 CG LYS A 475 1.172 9.410 -3.718 1.00 0.00 C ATOM 414 CD LYS A 475 2.333 9.513 -4.693 1.00 0.00 C ATOM 415 CE LYS A 475 2.358 10.865 -5.390 1.00 0.00 C ATOM 416 NZ LYS A 475 3.092 11.887 -4.594 1.00 0.00 N ATOM 0 H LYS A 475 0.985 6.126 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 475 -0.001 8.767 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 475 2.137 8.048 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 475 1.219 7.272 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 475 0.231 9.488 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 475 1.206 10.246 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 475 3.271 9.360 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 475 2.256 8.720 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 475 2.828 10.761 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.336 11.204 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 3.086 12.794 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 2.629 12.006 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 4.074 11.576 -4.452 1.00 0.00 H new ATOM 430 N LYS A 476 -1.656 6.707 -3.239 1.00 0.00 N ATOM 431 CA LYS A 476 -2.885 6.540 -4.006 1.00 0.00 C ATOM 432 C LYS A 476 -4.098 7.001 -3.204 1.00 0.00 C ATOM 433 O LYS A 476 -5.010 7.626 -3.745 1.00 0.00 O ATOM 434 CB LYS A 476 -3.058 5.078 -4.420 1.00 0.00 C ATOM 435 CG LYS A 476 -4.275 4.833 -5.297 1.00 0.00 C ATOM 436 CD LYS A 476 -4.076 5.398 -6.694 1.00 0.00 C ATOM 437 CE LYS A 476 -5.136 4.887 -7.657 1.00 0.00 C ATOM 438 NZ LYS A 476 -5.060 5.568 -8.979 1.00 0.00 N ATOM 0 H LYS A 476 -1.127 5.846 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 476 -2.810 7.158 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.165 4.752 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.137 4.462 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -4.470 3.762 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -5.153 5.290 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.112 6.487 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.087 5.124 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.014 3.813 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -6.124 5.043 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -5.799 5.191 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -5.202 6.590 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.126 5.398 -9.404 1.00 0.00 H new ATOM 452 N PHE A 477 -4.102 6.687 -1.913 1.00 0.00 N ATOM 453 CA PHE A 477 -5.203 7.069 -1.037 1.00 0.00 C ATOM 454 C PHE A 477 -4.692 7.833 0.180 1.00 0.00 C ATOM 455 O PHE A 477 -4.715 7.324 1.301 1.00 0.00 O ATOM 456 CB PHE A 477 -5.979 5.829 -0.590 1.00 0.00 C ATOM 457 CG PHE A 477 -6.700 5.135 -1.710 1.00 0.00 C ATOM 458 CD1 PHE A 477 -7.946 5.577 -2.129 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.132 4.043 -2.347 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.611 4.940 -3.160 1.00 0.00 C ATOM 461 CE2 PHE A 477 -6.793 3.403 -3.379 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.034 3.853 -3.786 1.00 0.00 C ATOM 0 H PHE A 477 -3.355 6.169 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.870 7.724 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.288 5.127 -0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.702 6.118 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.402 6.428 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.161 3.688 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.582 5.293 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.340 2.552 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.552 3.355 -4.592 1.00 0.00 H new ATOM 472 N GLN A 478 -4.230 9.057 -0.048 1.00 0.00 N ATOM 473 CA GLN A 478 -3.712 9.893 1.029 1.00 0.00 C ATOM 474 C GLN A 478 -3.331 11.275 0.511 1.00 0.00 C ATOM 475 O GLN A 478 -3.760 12.293 1.055 1.00 0.00 O ATOM 476 CB GLN A 478 -2.499 9.228 1.682 1.00 0.00 C ATOM 477 CG GLN A 478 -2.179 9.772 3.064 1.00 0.00 C ATOM 478 CD GLN A 478 -1.729 11.220 3.030 1.00 0.00 C ATOM 479 OE1 GLN A 478 -0.584 11.519 2.689 1.00 0.00 O ATOM 480 NE2 GLN A 478 -2.630 12.129 3.384 1.00 0.00 N ATOM 0 H GLN A 478 -4.203 9.493 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 478 -4.499 10.009 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -2.679 8.155 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.630 9.362 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -3.061 9.684 3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -1.398 9.163 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -3.568 11.837 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -2.384 13.119 3.380 1.00 0.00 H new ATOM 489 N THR A 479 -2.521 11.305 -0.542 1.00 0.00 N ATOM 490 CA THR A 479 -2.081 12.563 -1.133 1.00 0.00 C ATOM 491 C THR A 479 -3.001 12.993 -2.274 1.00 0.00 C ATOM 492 O THR A 479 -2.644 13.856 -3.077 1.00 0.00 O ATOM 493 CB THR A 479 -0.646 12.434 -1.644 1.00 0.00 C ATOM 494 OG1 THR A 479 -0.578 11.518 -2.724 1.00 0.00 O ATOM 495 CG2 THR A 479 0.328 11.966 -0.585 1.00 0.00 C ATOM 0 H THR A 479 -2.156 10.472 -1.004 1.00 0.00 H new ATOM 0 HA THR A 479 -2.121 13.327 -0.357 1.00 0.00 H new ATOM 0 HB THR A 479 -0.361 13.438 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 479 -1.066 10.701 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 479 1.327 11.896 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 479 0.337 12.677 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 479 0.022 10.987 -0.217 1.00 0.00 H new ATOM 503 N LYS A 480 -4.186 12.391 -2.343 1.00 0.00 N ATOM 504 CA LYS A 480 -5.149 12.718 -3.388 1.00 0.00 C ATOM 505 C LYS A 480 -6.187 13.713 -2.879 1.00 0.00 C ATOM 506 O LYS A 480 -6.203 14.873 -3.290 1.00 0.00 O ATOM 507 CB LYS A 480 -5.842 11.450 -3.888 1.00 0.00 C ATOM 508 CG LYS A 480 -6.799 11.695 -5.044 1.00 0.00 C ATOM 509 CD LYS A 480 -6.052 11.912 -6.349 1.00 0.00 C ATOM 510 CE LYS A 480 -7.009 12.120 -7.512 1.00 0.00 C ATOM 511 NZ LYS A 480 -7.694 10.855 -7.900 1.00 0.00 N ATOM 0 H LYS A 480 -4.501 11.675 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 480 -4.608 13.177 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -5.085 10.731 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -6.391 10.996 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -7.473 10.844 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -7.417 12.567 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -5.398 12.779 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -5.414 11.052 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.754 12.868 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.460 12.513 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -8.273 11.020 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -6.983 10.123 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.305 10.538 -7.120 1.00 0.00 H new ATOM 525 N LYS A 481 -7.050 13.252 -1.980 1.00 0.00 N ATOM 526 CA LYS A 481 -8.091 14.101 -1.414 1.00 0.00 C ATOM 527 C LYS A 481 -8.882 13.352 -0.345 1.00 0.00 C ATOM 528 O LYS A 481 -10.114 13.362 -0.346 1.00 0.00 O ATOM 529 CB LYS A 481 -9.034 14.591 -2.516 1.00 0.00 C ATOM 530 CG LYS A 481 -9.965 15.706 -2.069 1.00 0.00 C ATOM 531 CD LYS A 481 -9.228 17.030 -1.944 1.00 0.00 C ATOM 532 CE LYS A 481 -10.172 18.160 -1.570 1.00 0.00 C ATOM 533 NZ LYS A 481 -10.832 17.923 -0.257 1.00 0.00 N ATOM 0 H LYS A 481 -7.049 12.295 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 481 -7.611 14.962 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -8.441 14.941 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -9.631 13.751 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -10.781 15.809 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -10.412 15.445 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -8.446 16.943 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -8.735 17.264 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -9.618 19.098 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -10.932 18.269 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -11.318 18.790 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -11.524 17.152 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -10.115 17.661 0.450 1.00 0.00 H new ATOM 547 N THR A 482 -8.166 12.701 0.566 1.00 0.00 N ATOM 548 CA THR A 482 -8.800 11.947 1.641 1.00 0.00 C ATOM 549 C THR A 482 -9.118 12.851 2.826 1.00 0.00 C ATOM 550 O THR A 482 -8.226 13.480 3.397 1.00 0.00 O ATOM 551 CB THR A 482 -7.895 10.797 2.088 1.00 0.00 C ATOM 552 OG1 THR A 482 -6.534 11.104 1.839 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.204 9.488 1.396 1.00 0.00 C ATOM 0 H THR A 482 -7.146 12.681 0.581 1.00 0.00 H new ATOM 0 HA THR A 482 -9.735 11.537 1.261 1.00 0.00 H new ATOM 0 HB THR A 482 -8.085 10.679 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 482 -6.071 11.253 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 482 -7.526 8.716 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 482 -9.233 9.198 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 482 -8.076 9.606 0.320 1.00 0.00 H new ATOM 561 N GLY A 483 -10.393 12.906 3.197 1.00 0.00 N ATOM 562 CA GLY A 483 -10.805 13.733 4.317 1.00 0.00 C ATOM 563 C GLY A 483 -10.088 13.365 5.602 1.00 0.00 C ATOM 564 O GLY A 483 -9.993 14.177 6.522 1.00 0.00 O ATOM 0 H GLY A 483 -11.148 12.393 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -10.611 14.780 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -11.881 13.633 4.463 1.00 0.00 H new ATOM 568 N LEU A 484 -9.584 12.137 5.664 1.00 0.00 N ATOM 569 CA LEU A 484 -8.872 11.659 6.843 1.00 0.00 C ATOM 570 C LEU A 484 -7.435 12.170 6.854 1.00 0.00 C ATOM 571 O LEU A 484 -6.830 12.379 5.802 1.00 0.00 O ATOM 572 CB LEU A 484 -8.884 10.130 6.884 1.00 0.00 C ATOM 573 CG LEU A 484 -8.084 9.506 8.028 1.00 0.00 C ATOM 574 CD1 LEU A 484 -8.705 9.863 9.370 1.00 0.00 C ATOM 575 CD2 LEU A 484 -8.005 7.996 7.860 1.00 0.00 C ATOM 0 H LEU A 484 -9.656 11.454 4.910 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.381 12.043 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.918 9.792 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -8.492 9.753 5.939 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.071 9.909 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.122 9.410 10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.710 10.946 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.728 9.489 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -7.432 7.568 8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -9.011 7.577 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -7.515 7.760 6.915 1.00 0.00 H new ATOM 587 N SER A 485 -6.891 12.371 8.052 1.00 0.00 N ATOM 588 CA SER A 485 -5.525 12.859 8.201 1.00 0.00 C ATOM 589 C SER A 485 -4.534 11.927 7.510 1.00 0.00 C ATOM 590 O SER A 485 -4.771 10.724 7.400 1.00 0.00 O ATOM 591 CB SER A 485 -5.168 12.994 9.682 1.00 0.00 C ATOM 592 OG SER A 485 -6.102 13.819 10.359 1.00 0.00 O ATOM 0 H SER A 485 -7.377 12.203 8.933 1.00 0.00 H new ATOM 0 HA SER A 485 -5.463 13.839 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 485 -5.146 12.008 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 485 -4.167 13.415 9.781 1.00 0.00 H new ATOM 0 HG SER A 485 -6.583 13.288 11.028 1.00 0.00 H new ATOM 598 N SER A 486 -3.424 12.491 7.046 1.00 0.00 N ATOM 599 CA SER A 486 -2.397 11.712 6.365 1.00 0.00 C ATOM 600 C SER A 486 -1.802 10.660 7.295 1.00 0.00 C ATOM 601 O SER A 486 -1.471 9.554 6.866 1.00 0.00 O ATOM 602 CB SER A 486 -1.290 12.631 5.844 1.00 0.00 C ATOM 603 OG SER A 486 -0.557 13.203 6.914 1.00 0.00 O ATOM 0 H SER A 486 -3.213 13.485 7.129 1.00 0.00 H new ATOM 0 HA SER A 486 -2.865 11.203 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 486 -0.617 12.066 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 486 -1.726 13.422 5.234 1.00 0.00 H new ATOM 0 HG SER A 486 0.145 13.785 6.555 1.00 0.00 H new ATOM 609 N GLU A 487 -1.669 11.010 8.569 1.00 0.00 N ATOM 610 CA GLU A 487 -1.113 10.094 9.559 1.00 0.00 C ATOM 611 C GLU A 487 -2.090 8.962 9.864 1.00 0.00 C ATOM 612 O GLU A 487 -1.702 7.797 9.937 1.00 0.00 O ATOM 613 CB GLU A 487 -0.767 10.847 10.845 1.00 0.00 C ATOM 614 CG GLU A 487 -1.981 11.418 11.561 1.00 0.00 C ATOM 615 CD GLU A 487 -1.604 12.265 12.761 1.00 0.00 C ATOM 616 OE1 GLU A 487 -0.770 13.181 12.602 1.00 0.00 O ATOM 617 OE2 GLU A 487 -2.144 12.013 13.859 1.00 0.00 O ATOM 0 H GLU A 487 -1.938 11.921 8.941 1.00 0.00 H new ATOM 0 HA GLU A 487 -0.203 9.661 9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -0.241 10.173 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.080 11.659 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.560 12.022 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -2.625 10.601 11.886 1.00 0.00 H new ATOM 624 N GLN A 488 -3.359 9.316 10.041 1.00 0.00 N ATOM 625 CA GLN A 488 -4.393 8.331 10.338 1.00 0.00 C ATOM 626 C GLN A 488 -4.606 7.390 9.157 1.00 0.00 C ATOM 627 O GLN A 488 -4.870 6.201 9.337 1.00 0.00 O ATOM 628 CB GLN A 488 -5.706 9.031 10.693 1.00 0.00 C ATOM 629 CG GLN A 488 -5.633 9.845 11.974 1.00 0.00 C ATOM 630 CD GLN A 488 -6.975 10.431 12.368 1.00 0.00 C ATOM 631 OE1 GLN A 488 -7.146 11.727 12.135 1.00 0.00 O flip ATOM 632 NE2 GLN A 488 -7.847 9.728 12.877 1.00 0.00 N flip ATOM 0 H GLN A 488 -3.696 10.277 9.984 1.00 0.00 H new ATOM 0 HA GLN A 488 -4.062 7.740 11.192 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.992 9.687 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.492 8.282 10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -5.265 9.212 12.782 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.911 10.652 11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -7.673 8.736 13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -8.744 10.137 13.138 1.00 0.00 H new ATOM 641 N THR A 489 -4.491 7.930 7.947 1.00 0.00 N ATOM 642 CA THR A 489 -4.672 7.138 6.736 1.00 0.00 C ATOM 643 C THR A 489 -3.674 5.986 6.683 1.00 0.00 C ATOM 644 O THR A 489 -4.016 4.872 6.286 1.00 0.00 O ATOM 645 CB THR A 489 -4.516 8.019 5.495 1.00 0.00 C ATOM 646 OG1 THR A 489 -5.369 9.148 5.571 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.829 7.294 4.204 1.00 0.00 C ATOM 0 H THR A 489 -4.273 8.912 7.780 1.00 0.00 H new ATOM 0 HA THR A 489 -5.679 6.722 6.754 1.00 0.00 H new ATOM 0 HB THR A 489 -3.467 8.316 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.869 9.913 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 489 -4.699 7.975 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.155 6.445 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.859 6.939 4.227 1.00 0.00 H new ATOM 655 N VAL A 490 -2.438 6.261 7.086 1.00 0.00 N ATOM 656 CA VAL A 490 -1.391 5.248 7.084 1.00 0.00 C ATOM 657 C VAL A 490 -1.757 4.077 7.990 1.00 0.00 C ATOM 658 O VAL A 490 -1.614 2.916 7.608 1.00 0.00 O ATOM 659 CB VAL A 490 -0.040 5.833 7.541 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.071 4.806 7.382 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.281 7.102 6.766 1.00 0.00 C ATOM 0 H VAL A 490 -2.138 7.177 7.418 1.00 0.00 H new ATOM 0 HA VAL A 490 -1.296 4.895 6.057 1.00 0.00 H new ATOM 0 HB VAL A 490 -0.115 6.089 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.016 5.239 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 490 0.844 3.928 7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.150 4.514 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.238 7.501 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.336 6.874 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -0.501 7.841 6.939 1.00 0.00 H new ATOM 671 N ASN A 491 -2.229 4.391 9.191 1.00 0.00 N ATOM 672 CA ASN A 491 -2.617 3.364 10.152 1.00 0.00 C ATOM 673 C ASN A 491 -3.760 2.512 9.609 1.00 0.00 C ATOM 674 O ASN A 491 -3.792 1.299 9.808 1.00 0.00 O ATOM 675 CB ASN A 491 -3.028 4.005 11.479 1.00 0.00 C ATOM 676 CG ASN A 491 -1.869 4.695 12.171 1.00 0.00 C ATOM 677 OD1 ASN A 491 -0.714 4.540 11.776 1.00 0.00 O ATOM 678 ND2 ASN A 491 -2.174 5.463 13.211 1.00 0.00 N ATOM 0 H ASN A 491 -2.352 5.348 9.523 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.756 2.718 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -3.823 4.729 11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.437 3.239 12.138 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.436 5.953 13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -3.146 5.563 13.504 1.00 0.00 H new ATOM 685 N VAL A 492 -4.698 3.157 8.922 1.00 0.00 N ATOM 686 CA VAL A 492 -5.843 2.457 8.352 1.00 0.00 C ATOM 687 C VAL A 492 -5.397 1.427 7.318 1.00 0.00 C ATOM 688 O VAL A 492 -5.785 0.261 7.383 1.00 0.00 O ATOM 689 CB VAL A 492 -6.829 3.439 7.691 1.00 0.00 C ATOM 690 CG1 VAL A 492 -8.077 2.710 7.217 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.193 4.560 8.654 1.00 0.00 C ATOM 0 H VAL A 492 -4.687 4.162 8.747 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.346 1.948 9.175 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.342 3.880 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.760 3.422 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.799 1.947 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.568 2.238 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.890 5.244 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.658 4.138 9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.291 5.102 8.938 1.00 0.00 H new ATOM 701 N LEU A 493 -4.580 1.867 6.367 1.00 0.00 N ATOM 702 CA LEU A 493 -4.082 0.983 5.319 1.00 0.00 C ATOM 703 C LEU A 493 -3.021 0.034 5.864 1.00 0.00 C ATOM 704 O LEU A 493 -2.942 -1.125 5.454 1.00 0.00 O ATOM 705 CB LEU A 493 -3.504 1.804 4.163 1.00 0.00 C ATOM 706 CG LEU A 493 -4.543 2.491 3.274 1.00 0.00 C ATOM 707 CD1 LEU A 493 -5.090 3.735 3.957 1.00 0.00 C ATOM 708 CD2 LEU A 493 -3.936 2.845 1.925 1.00 0.00 C ATOM 0 H LEU A 493 -4.249 2.829 6.300 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.919 0.389 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.840 2.564 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.893 1.149 3.542 1.00 0.00 H new ATOM 0 HG LEU A 493 -5.369 1.799 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.827 4.211 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -5.561 3.455 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.275 4.432 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -4.688 3.333 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.093 3.520 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -3.592 1.936 1.431 1.00 0.00 H new ATOM 720 N ALA A 494 -2.205 0.531 6.787 1.00 0.00 N ATOM 721 CA ALA A 494 -1.147 -0.275 7.384 1.00 0.00 C ATOM 722 C ALA A 494 -1.723 -1.446 8.169 1.00 0.00 C ATOM 723 O ALA A 494 -1.283 -2.585 8.018 1.00 0.00 O ATOM 724 CB ALA A 494 -0.272 0.586 8.283 1.00 0.00 C ATOM 0 H ALA A 494 -2.256 1.487 7.138 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.535 -0.680 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.514 -0.028 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.179 1.385 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.881 1.019 9.077 1.00 0.00 H new ATOM 730 N GLN A 495 -2.711 -1.157 9.005 1.00 0.00 N ATOM 731 CA GLN A 495 -3.353 -2.185 9.816 1.00 0.00 C ATOM 732 C GLN A 495 -4.001 -3.248 8.934 1.00 0.00 C ATOM 733 O GLN A 495 -4.012 -4.431 9.276 1.00 0.00 O ATOM 734 CB GLN A 495 -4.402 -1.559 10.736 1.00 0.00 C ATOM 735 CG GLN A 495 -3.807 -0.745 11.873 1.00 0.00 C ATOM 736 CD GLN A 495 -4.859 0.011 12.661 1.00 0.00 C ATOM 737 OE1 GLN A 495 -5.975 0.224 12.186 1.00 0.00 O ATOM 738 NE2 GLN A 495 -4.508 0.423 13.873 1.00 0.00 N ATOM 0 H GLN A 495 -3.086 -0.218 9.140 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.586 -2.663 10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.055 -0.918 10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -5.025 -2.350 11.154 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.263 -1.409 12.544 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.083 -0.038 11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.572 0.225 14.228 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.174 0.938 14.449 1.00 0.00 H new ATOM 747 N ILE A 496 -4.540 -2.819 7.798 1.00 0.00 N ATOM 748 CA ILE A 496 -5.189 -3.730 6.867 1.00 0.00 C ATOM 749 C ILE A 496 -4.152 -4.496 6.046 1.00 0.00 C ATOM 750 O ILE A 496 -4.213 -5.721 5.939 1.00 0.00 O ATOM 751 CB ILE A 496 -6.160 -2.963 5.931 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.610 -3.231 6.338 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.941 -3.331 4.469 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.608 -2.327 5.648 1.00 0.00 C ATOM 0 H ILE A 496 -4.539 -1.843 7.501 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.767 -4.448 7.448 1.00 0.00 H new ATOM 0 HB ILE A 496 -5.952 -1.898 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.856 -4.269 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.705 -3.107 7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.639 -2.774 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.919 -3.083 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -6.107 -4.400 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.615 -2.573 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.388 -1.288 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.541 -2.468 4.569 1.00 0.00 H new ATOM 766 N LEU A 497 -3.204 -3.765 5.469 1.00 0.00 N ATOM 767 CA LEU A 497 -2.156 -4.374 4.657 1.00 0.00 C ATOM 768 C LEU A 497 -1.327 -5.358 5.478 1.00 0.00 C ATOM 769 O LEU A 497 -0.959 -6.426 4.992 1.00 0.00 O ATOM 770 CB LEU A 497 -1.247 -3.293 4.068 1.00 0.00 C ATOM 771 CG LEU A 497 -1.843 -2.518 2.892 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.058 -1.240 2.642 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.867 -3.384 1.641 1.00 0.00 C ATOM 0 H LEU A 497 -3.140 -2.750 5.548 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.635 -4.922 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -0.990 -2.586 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.317 -3.759 3.743 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.869 -2.247 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.497 -0.702 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.092 -0.612 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -0.022 -1.488 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.294 -2.817 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.851 -3.685 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.473 -4.271 1.824 1.00 0.00 H new ATOM 785 N LYS A 498 -1.034 -4.988 6.720 1.00 0.00 N ATOM 786 CA LYS A 498 -0.240 -5.835 7.610 1.00 0.00 C ATOM 787 C LYS A 498 -0.747 -7.276 7.614 1.00 0.00 C ATOM 788 O LYS A 498 0.019 -8.211 7.391 1.00 0.00 O ATOM 789 CB LYS A 498 -0.261 -5.274 9.033 1.00 0.00 C ATOM 790 CG LYS A 498 0.802 -5.874 9.939 1.00 0.00 C ATOM 791 CD LYS A 498 0.184 -6.655 11.088 1.00 0.00 C ATOM 792 CE LYS A 498 -0.214 -8.058 10.659 1.00 0.00 C ATOM 793 NZ LYS A 498 0.265 -9.090 11.619 1.00 0.00 N ATOM 0 H LYS A 498 -1.334 -4.106 7.136 1.00 0.00 H new ATOM 0 HA LYS A 498 0.784 -5.838 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.123 -4.194 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.243 -5.453 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.447 -6.532 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.433 -5.079 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.894 -6.714 11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -0.693 -6.125 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -1.299 -8.117 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.195 -8.265 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.027 -10.032 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 1.302 -9.051 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.145 -8.908 12.557 1.00 0.00 H new ATOM 807 N ARG A 499 -2.037 -7.445 7.874 1.00 0.00 N ATOM 808 CA ARG A 499 -2.645 -8.773 7.913 1.00 0.00 C ATOM 809 C ARG A 499 -2.928 -9.303 6.507 1.00 0.00 C ATOM 810 O ARG A 499 -3.193 -10.491 6.324 1.00 0.00 O ATOM 811 CB ARG A 499 -3.943 -8.735 8.722 1.00 0.00 C ATOM 812 CG ARG A 499 -3.740 -8.358 10.181 1.00 0.00 C ATOM 813 CD ARG A 499 -5.050 -8.388 10.952 1.00 0.00 C ATOM 814 NE ARG A 499 -5.561 -9.748 11.108 1.00 0.00 N ATOM 815 CZ ARG A 499 -5.044 -10.643 11.947 1.00 0.00 C ATOM 816 NH1 ARG A 499 -4.002 -10.326 12.705 1.00 0.00 N ATOM 817 NH2 ARG A 499 -5.571 -11.856 12.028 1.00 0.00 N ATOM 0 H ARG A 499 -2.685 -6.680 8.061 1.00 0.00 H new ATOM 0 HA ARG A 499 -1.936 -9.448 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -4.627 -8.021 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.422 -9.713 8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.031 -9.046 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -3.303 -7.361 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -4.903 -7.941 11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -5.791 -7.780 10.433 1.00 0.00 H new ATOM 0 HE ARG A 499 -6.361 -10.028 10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -3.594 -9.393 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -3.609 -11.015 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -6.372 -12.104 11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.175 -12.542 12.671 1.00 0.00 H new ATOM 831 N LEU A 500 -2.895 -8.411 5.519 1.00 0.00 N ATOM 832 CA LEU A 500 -3.172 -8.781 4.133 1.00 0.00 C ATOM 833 C LEU A 500 -2.448 -10.058 3.712 1.00 0.00 C ATOM 834 O LEU A 500 -3.040 -10.933 3.081 1.00 0.00 O ATOM 835 CB LEU A 500 -2.799 -7.633 3.194 1.00 0.00 C ATOM 836 CG LEU A 500 -3.389 -7.727 1.786 1.00 0.00 C ATOM 837 CD1 LEU A 500 -3.228 -6.406 1.051 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.733 -8.857 1.006 1.00 0.00 C ATOM 0 H LEU A 500 -2.678 -7.423 5.654 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.242 -8.979 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.124 -6.695 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.713 -7.589 3.114 1.00 0.00 H new ATOM 0 HG LEU A 500 -4.454 -7.944 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -3.653 -6.492 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -3.746 -5.619 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -2.169 -6.159 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -3.166 -8.908 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -1.662 -8.672 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -2.901 -9.802 1.523 1.00 0.00 H new ATOM 850 N ASN A 501 -1.173 -10.160 4.052 1.00 0.00 N ATOM 851 CA ASN A 501 -0.384 -11.335 3.693 1.00 0.00 C ATOM 852 C ASN A 501 -0.259 -11.456 2.176 1.00 0.00 C ATOM 853 O ASN A 501 -0.590 -12.489 1.593 1.00 0.00 O ATOM 854 CB ASN A 501 -1.019 -12.603 4.270 1.00 0.00 C ATOM 855 CG ASN A 501 0.015 -13.631 4.684 1.00 0.00 C ATOM 856 OD1 ASN A 501 0.853 -13.372 5.549 1.00 0.00 O ATOM 857 ND2 ASN A 501 -0.037 -14.805 4.068 1.00 0.00 N ATOM 0 H ASN A 501 -0.661 -9.449 4.574 1.00 0.00 H new ATOM 0 HA ASN A 501 0.613 -11.218 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -1.631 -12.339 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.686 -13.042 3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 501 0.634 -15.536 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -0.748 -14.977 3.357 1.00 0.00 H new ATOM 864 N PRO A 502 0.229 -10.392 1.514 1.00 0.00 N ATOM 865 CA PRO A 502 0.402 -10.373 0.060 1.00 0.00 C ATOM 866 C PRO A 502 1.632 -11.154 -0.388 1.00 0.00 C ATOM 867 O PRO A 502 2.239 -11.883 0.398 1.00 0.00 O ATOM 868 CB PRO A 502 0.577 -8.887 -0.245 1.00 0.00 C ATOM 869 CG PRO A 502 1.207 -8.329 0.986 1.00 0.00 C ATOM 870 CD PRO A 502 0.649 -9.120 2.137 1.00 0.00 C ATOM 0 HA PRO A 502 -0.435 -10.839 -0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.208 -8.732 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.380 -8.409 -0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.293 -8.418 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.978 -7.269 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.398 -9.282 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.191 -8.607 2.606 1.00 0.00 H new ATOM 878 N GLU A 503 1.997 -10.996 -1.656 1.00 0.00 N ATOM 879 CA GLU A 503 3.157 -11.682 -2.210 1.00 0.00 C ATOM 880 C GLU A 503 4.290 -10.697 -2.475 1.00 0.00 C ATOM 881 O GLU A 503 4.058 -9.500 -2.648 1.00 0.00 O ATOM 882 CB GLU A 503 2.780 -12.404 -3.506 1.00 0.00 C ATOM 883 CG GLU A 503 1.722 -13.478 -3.317 1.00 0.00 C ATOM 884 CD GLU A 503 2.101 -14.490 -2.254 1.00 0.00 C ATOM 885 OE1 GLU A 503 3.225 -15.030 -2.322 1.00 0.00 O ATOM 886 OE2 GLU A 503 1.274 -14.743 -1.353 1.00 0.00 O ATOM 0 H GLU A 503 1.505 -10.398 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 503 3.498 -12.417 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.418 -11.672 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 503 3.674 -12.858 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 503 0.777 -13.008 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.561 -13.994 -4.263 1.00 0.00 H new ATOM 893 N ARG A 504 5.518 -11.205 -2.501 1.00 0.00 N ATOM 894 CA ARG A 504 6.686 -10.366 -2.743 1.00 0.00 C ATOM 895 C ARG A 504 7.331 -10.699 -4.084 1.00 0.00 C ATOM 896 O ARG A 504 7.580 -11.865 -4.392 1.00 0.00 O ATOM 897 CB ARG A 504 7.706 -10.541 -1.616 1.00 0.00 C ATOM 898 CG ARG A 504 7.210 -10.050 -0.266 1.00 0.00 C ATOM 899 CD ARG A 504 8.240 -10.289 0.828 1.00 0.00 C ATOM 900 NE ARG A 504 8.519 -11.711 1.017 1.00 0.00 N ATOM 901 CZ ARG A 504 9.437 -12.388 0.330 1.00 0.00 C ATOM 902 NH1 ARG A 504 10.171 -11.781 -0.595 1.00 0.00 N ATOM 903 NH2 ARG A 504 9.623 -13.680 0.568 1.00 0.00 N ATOM 0 H ARG A 504 5.730 -12.192 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 504 6.356 -9.328 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 504 7.969 -11.596 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 504 8.618 -10.004 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.982 -8.986 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 504 6.282 -10.561 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.164 -9.769 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.880 -9.863 1.764 1.00 0.00 H new ATOM 0 HE ARG A 504 7.977 -12.216 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.034 -10.788 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 504 10.872 -12.308 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.063 -14.154 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 504 10.326 -14.199 0.042 1.00 0.00 H new ATOM 917 N LYS A 505 7.603 -9.668 -4.876 1.00 0.00 N ATOM 918 CA LYS A 505 8.221 -9.848 -6.184 1.00 0.00 C ATOM 919 C LYS A 505 9.310 -8.805 -6.417 1.00 0.00 C ATOM 920 O LYS A 505 9.111 -7.618 -6.161 1.00 0.00 O ATOM 921 CB LYS A 505 7.167 -9.758 -7.288 1.00 0.00 C ATOM 922 CG LYS A 505 7.694 -10.129 -8.665 1.00 0.00 C ATOM 923 CD LYS A 505 6.684 -9.803 -9.753 1.00 0.00 C ATOM 924 CE LYS A 505 5.448 -10.681 -9.648 1.00 0.00 C ATOM 925 NZ LYS A 505 4.329 -9.985 -8.955 1.00 0.00 N ATOM 0 H LYS A 505 7.405 -8.697 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 505 8.678 -10.837 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.334 -10.415 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 505 6.773 -8.742 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.623 -9.593 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.929 -11.193 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.394 -8.755 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.145 -9.938 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.128 -10.978 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.697 -11.595 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.790 -10.672 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.713 -9.248 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 3.702 -9.548 -9.660 1.00 0.00 H new ATOM 939 N MET A 506 10.461 -9.257 -6.904 1.00 0.00 N ATOM 940 CA MET A 506 11.581 -8.363 -7.170 1.00 0.00 C ATOM 941 C MET A 506 11.411 -7.660 -8.513 1.00 0.00 C ATOM 942 O MET A 506 11.553 -8.275 -9.569 1.00 0.00 O ATOM 943 CB MET A 506 12.898 -9.141 -7.152 1.00 0.00 C ATOM 944 CG MET A 506 13.211 -9.774 -5.805 1.00 0.00 C ATOM 945 SD MET A 506 12.893 -11.549 -5.780 1.00 0.00 S ATOM 946 CE MET A 506 12.431 -11.786 -4.066 1.00 0.00 C ATOM 0 H MET A 506 10.642 -10.237 -7.122 1.00 0.00 H new ATOM 0 HA MET A 506 11.603 -7.607 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 506 12.860 -9.922 -7.911 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.711 -8.469 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 506 14.257 -9.593 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.612 -9.291 -5.033 1.00 0.00 H new ATOM 0 HE1 MET A 506 12.204 -12.838 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 506 13.256 -11.482 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.552 -11.183 -3.839 1.00 0.00 H new ATOM 956 N ILE A 507 11.108 -6.366 -8.464 1.00 0.00 N ATOM 957 CA ILE A 507 10.920 -5.578 -9.676 1.00 0.00 C ATOM 958 C ILE A 507 11.936 -4.444 -9.754 1.00 0.00 C ATOM 959 O ILE A 507 11.954 -3.554 -8.904 1.00 0.00 O ATOM 960 CB ILE A 507 9.499 -4.985 -9.746 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.454 -6.077 -9.509 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.271 -4.310 -11.091 1.00 0.00 C ATOM 963 CD1 ILE A 507 8.553 -7.230 -10.483 1.00 0.00 C ATOM 0 H ILE A 507 10.988 -5.842 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 507 11.065 -6.253 -10.519 1.00 0.00 H new ATOM 0 HB ILE A 507 9.397 -4.234 -8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.563 -6.459 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 507 7.459 -5.638 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.263 -3.896 -11.124 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.997 -3.508 -11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.390 -5.042 -11.890 1.00 0.00 H new ATOM 0 HD11 ILE A 507 7.782 -7.966 -10.255 1.00 0.00 H new ATOM 0 HD12 ILE A 507 8.414 -6.861 -11.499 1.00 0.00 H new ATOM 0 HD13 ILE A 507 9.535 -7.695 -10.398 1.00 0.00 H new ATOM 975 N ASN A 508 12.783 -4.483 -10.779 1.00 0.00 N ATOM 976 CA ASN A 508 13.804 -3.458 -10.967 1.00 0.00 C ATOM 977 C ASN A 508 14.697 -3.344 -9.734 1.00 0.00 C ATOM 978 O ASN A 508 15.015 -2.244 -9.283 1.00 0.00 O ATOM 979 CB ASN A 508 13.149 -2.107 -11.265 1.00 0.00 C ATOM 980 CG ASN A 508 14.157 -1.058 -11.693 1.00 0.00 C ATOM 981 OD1 ASN A 508 14.480 -0.145 -10.933 1.00 0.00 O ATOM 982 ND2 ASN A 508 14.661 -1.184 -12.915 1.00 0.00 N ATOM 0 H ASN A 508 12.782 -5.213 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 508 14.424 -3.749 -11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 508 12.404 -2.233 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.621 -1.759 -10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.344 -0.508 -13.257 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.365 -1.957 -13.512 1.00 0.00 H new ATOM 989 N ASP A 509 15.097 -4.491 -9.194 1.00 0.00 N ATOM 990 CA ASP A 509 15.951 -4.522 -8.013 1.00 0.00 C ATOM 991 C ASP A 509 15.272 -3.834 -6.834 1.00 0.00 C ATOM 992 O ASP A 509 15.921 -3.148 -6.043 1.00 0.00 O ATOM 993 CB ASP A 509 17.293 -3.849 -8.310 1.00 0.00 C ATOM 994 CG ASP A 509 18.094 -4.592 -9.361 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.787 -5.776 -9.614 1.00 0.00 O ATOM 996 OD2 ASP A 509 19.028 -3.991 -9.930 1.00 0.00 O ATOM 0 H ASP A 509 14.843 -5.410 -9.556 1.00 0.00 H new ATOM 0 HA ASP A 509 16.127 -5.565 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.117 -2.827 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.876 -3.786 -7.391 1.00 0.00 H new ATOM 1001 N LYS A 510 13.961 -4.024 -6.720 1.00 0.00 N ATOM 1002 CA LYS A 510 13.193 -3.422 -5.637 1.00 0.00 C ATOM 1003 C LYS A 510 12.041 -4.330 -5.218 1.00 0.00 C ATOM 1004 O LYS A 510 11.359 -4.912 -6.062 1.00 0.00 O ATOM 1005 CB LYS A 510 12.651 -2.055 -6.064 1.00 0.00 C ATOM 1006 CG LYS A 510 11.955 -1.301 -4.944 1.00 0.00 C ATOM 1007 CD LYS A 510 11.382 0.020 -5.435 1.00 0.00 C ATOM 1008 CE LYS A 510 10.824 0.846 -4.288 1.00 0.00 C ATOM 1009 NZ LYS A 510 10.747 2.293 -4.631 1.00 0.00 N ATOM 0 H LYS A 510 13.409 -4.590 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 510 13.858 -3.290 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.474 -1.449 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.951 -2.192 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.155 -1.916 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.662 -1.114 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.159 0.586 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.594 -0.172 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 510 9.830 0.481 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.452 0.715 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 10.361 2.821 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 11.699 2.648 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.127 2.422 -5.456 1.00 0.00 H new ATOM 1023 N MET A 511 11.828 -4.445 -3.911 1.00 0.00 N ATOM 1024 CA MET A 511 10.758 -5.282 -3.383 1.00 0.00 C ATOM 1025 C MET A 511 9.391 -4.724 -3.768 1.00 0.00 C ATOM 1026 O MET A 511 9.072 -3.574 -3.469 1.00 0.00 O ATOM 1027 CB MET A 511 10.869 -5.386 -1.861 1.00 0.00 C ATOM 1028 CG MET A 511 10.789 -4.044 -1.152 1.00 0.00 C ATOM 1029 SD MET A 511 11.190 -4.161 0.602 1.00 0.00 S ATOM 1030 CE MET A 511 9.870 -5.225 1.181 1.00 0.00 C ATOM 0 H MET A 511 12.382 -3.969 -3.199 1.00 0.00 H new ATOM 0 HA MET A 511 10.860 -6.277 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.073 -6.031 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.814 -5.867 -1.606 1.00 0.00 H new ATOM 0 HG2 MET A 511 11.472 -3.343 -1.631 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.784 -3.637 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.297 -4.708 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 511 9.213 -5.476 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 511 10.295 -6.139 1.597 1.00 0.00 H new ATOM 1040 N HIS A 512 8.588 -5.548 -4.434 1.00 0.00 N ATOM 1041 CA HIS A 512 7.255 -5.137 -4.862 1.00 0.00 C ATOM 1042 C HIS A 512 6.189 -6.062 -4.284 1.00 0.00 C ATOM 1043 O HIS A 512 6.439 -7.243 -4.047 1.00 0.00 O ATOM 1044 CB HIS A 512 7.166 -5.129 -6.388 1.00 0.00 C ATOM 1045 CG HIS A 512 7.726 -3.890 -7.015 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.975 -3.389 -6.708 1.00 0.00 N ATOM 1047 CD2 HIS A 512 7.202 -3.048 -7.937 1.00 0.00 C ATOM 1048 CE1 HIS A 512 9.192 -2.293 -7.413 1.00 0.00 C ATOM 1049 NE2 HIS A 512 8.132 -2.066 -8.167 1.00 0.00 N ATOM 0 H HIS A 512 8.837 -6.504 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 512 7.076 -4.128 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.698 -5.996 -6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 512 6.122 -5.236 -6.683 1.00 0.00 H new ATOM 0 HD2 HIS A 512 6.232 -3.134 -8.404 1.00 0.00 H new ATOM 0 HE1 HIS A 512 10.085 -1.686 -7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 512 8.022 -1.286 -8.816 1.00 0.00 H new ATOM 1058 N PHE A 513 4.997 -5.516 -4.064 1.00 0.00 N ATOM 1059 CA PHE A 513 3.890 -6.292 -3.517 1.00 0.00 C ATOM 1060 C PHE A 513 2.952 -6.757 -4.627 1.00 0.00 C ATOM 1061 O PHE A 513 2.616 -5.992 -5.531 1.00 0.00 O ATOM 1062 CB PHE A 513 3.114 -5.461 -2.494 1.00 0.00 C ATOM 1063 CG PHE A 513 3.763 -5.412 -1.140 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.550 -6.425 -0.220 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.585 -4.353 -0.789 1.00 0.00 C ATOM 1066 CE1 PHE A 513 4.143 -6.382 1.027 1.00 0.00 C ATOM 1067 CE2 PHE A 513 5.181 -4.306 0.457 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.961 -5.322 1.367 1.00 0.00 C ATOM 0 H PHE A 513 4.773 -4.540 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 513 4.304 -7.171 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 513 3.005 -4.444 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 513 2.110 -5.872 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.913 -7.258 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.762 -3.556 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.967 -7.177 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.819 -3.475 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.427 -5.288 2.341 1.00 0.00 H new ATOM 1078 N SER A 514 2.534 -8.016 -4.553 1.00 0.00 N ATOM 1079 CA SER A 514 1.634 -8.582 -5.551 1.00 0.00 C ATOM 1080 C SER A 514 0.570 -9.454 -4.894 1.00 0.00 C ATOM 1081 O SER A 514 0.830 -10.122 -3.892 1.00 0.00 O ATOM 1082 CB SER A 514 2.424 -9.403 -6.571 1.00 0.00 C ATOM 1083 OG SER A 514 1.581 -9.880 -7.606 1.00 0.00 O ATOM 0 H SER A 514 2.804 -8.664 -3.813 1.00 0.00 H new ATOM 0 HA SER A 514 1.136 -7.759 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 514 3.218 -8.791 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.904 -10.245 -6.072 1.00 0.00 H new ATOM 0 HG SER A 514 1.726 -10.841 -7.729 1.00 0.00 H new ATOM 1089 N LEU A 515 -0.631 -9.445 -5.464 1.00 0.00 N ATOM 1090 CA LEU A 515 -1.736 -10.235 -4.933 1.00 0.00 C ATOM 1091 C LEU A 515 -2.358 -11.101 -6.024 1.00 0.00 C ATOM 1092 O LEU A 515 -2.590 -10.639 -7.141 1.00 0.00 O ATOM 1093 CB LEU A 515 -2.797 -9.319 -4.322 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.648 -9.067 -2.821 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.162 -7.682 -2.457 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -3.382 -10.138 -2.027 1.00 0.00 C ATOM 0 H LEU A 515 -0.864 -8.899 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.343 -10.890 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.770 -8.361 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.780 -9.753 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.589 -9.115 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.047 -7.522 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.592 -6.928 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.216 -7.603 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -3.266 -9.944 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.441 -10.121 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.966 -11.117 -2.265 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.627 -12.359 -5.692 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.224 -13.291 -6.641 1.00 0.00 C ATOM 1110 C LYS A 516 -4.647 -13.650 -6.229 1.00 0.00 C ATOM 1111 O LYS A 516 -4.858 -14.495 -5.359 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.375 -14.559 -6.746 1.00 0.00 C ATOM 1113 CG LYS A 516 -0.987 -14.317 -7.317 1.00 0.00 C ATOM 1114 CD LYS A 516 -0.184 -15.605 -7.393 1.00 0.00 C ATOM 1115 CE LYS A 516 -0.744 -16.548 -8.445 1.00 0.00 C ATOM 1116 NZ LYS A 516 0.305 -17.453 -8.994 1.00 0.00 N ATOM 0 H LYS A 516 -2.441 -12.757 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.259 -12.805 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -2.279 -15.005 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.895 -15.284 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -1.073 -13.881 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -0.458 -13.593 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 516 0.855 -15.374 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -0.191 -16.097 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -1.546 -17.144 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -1.184 -15.967 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -0.117 -18.080 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 1.058 -16.886 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 0.707 -18.026 -8.224 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.621 -13.003 -6.859 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.026 -13.254 -6.557 1.00 0.00 C ATOM 1132 C GLU A 517 -7.388 -14.711 -6.825 1.00 0.00 C ATOM 1133 O GLU A 517 -6.777 -15.315 -7.732 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.921 -12.333 -7.388 1.00 0.00 C ATOM 1135 CG GLU A 517 -9.396 -12.442 -7.042 1.00 0.00 C ATOM 1136 CD GLU A 517 -9.713 -11.896 -5.662 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -8.944 -11.043 -5.171 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -10.728 -12.323 -5.074 1.00 0.00 O ATOM 1139 OXT GLU A 517 -8.279 -15.237 -6.126 1.00 0.00 O ATOM 0 H GLU A 517 -5.464 -12.301 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.187 -13.047 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -7.598 -11.302 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -7.786 -12.566 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -9.981 -11.901 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -9.702 -13.487 -7.094 1.00 0.00 H new ATOM 1187 N GLU B 945 10.343 13.346 1.424 1.00 0.00 N ATOM 1188 CA GLU B 945 9.604 13.408 2.679 1.00 0.00 C ATOM 1189 C GLU B 945 8.384 12.493 2.638 1.00 0.00 C ATOM 1190 O GLU B 945 8.011 11.893 3.647 1.00 0.00 O ATOM 1191 CB GLU B 945 9.168 14.846 2.968 1.00 0.00 C ATOM 1192 CG GLU B 945 10.329 15.798 3.200 1.00 0.00 C ATOM 1193 CD GLU B 945 9.873 17.202 3.549 1.00 0.00 C ATOM 1194 OE1 GLU B 945 8.670 17.495 3.381 1.00 0.00 O ATOM 1195 OE2 GLU B 945 10.719 18.009 3.988 1.00 0.00 O ATOM 0 HA GLU B 945 10.264 13.068 3.477 1.00 0.00 H new ATOM 0 HB2 GLU B 945 8.571 15.211 2.132 1.00 0.00 H new ATOM 0 HB3 GLU B 945 8.523 14.852 3.847 1.00 0.00 H new ATOM 0 HG2 GLU B 945 10.954 15.413 4.005 1.00 0.00 H new ATOM 0 HG3 GLU B 945 10.949 15.834 2.304 1.00 0.00 H new ATOM 1202 N ALA B 946 7.766 12.391 1.467 1.00 0.00 N ATOM 1203 CA ALA B 946 6.589 11.548 1.294 1.00 0.00 C ATOM 1204 C ALA B 946 6.925 10.079 1.531 1.00 0.00 C ATOM 1205 O ALA B 946 6.152 9.348 2.150 1.00 0.00 O ATOM 1206 CB ALA B 946 6.003 11.740 -0.097 1.00 0.00 C ATOM 0 H ALA B 946 8.061 12.882 0.623 1.00 0.00 H new ATOM 0 HA ALA B 946 5.847 11.847 2.034 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.125 11.105 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.716 12.783 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA B 946 6.747 11.470 -0.846 1.00 0.00 H new ATOM 1212 N ASP B 947 8.083 9.656 1.035 1.00 0.00 N ATOM 1213 CA ASP B 947 8.521 8.274 1.194 1.00 0.00 C ATOM 1214 C ASP B 947 8.660 7.913 2.669 1.00 0.00 C ATOM 1215 O ASP B 947 8.380 6.782 3.070 1.00 0.00 O ATOM 1216 CB ASP B 947 9.854 8.055 0.475 1.00 0.00 C ATOM 1217 CG ASP B 947 10.246 6.591 0.414 1.00 0.00 C ATOM 1218 OD1 ASP B 947 9.376 5.733 0.670 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.423 6.304 0.109 1.00 0.00 O ATOM 0 H ASP B 947 8.734 10.249 0.520 1.00 0.00 H new ATOM 0 HA ASP B 947 7.765 7.626 0.750 1.00 0.00 H new ATOM 0 HB2 ASP B 947 9.787 8.453 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.636 8.616 0.987 1.00 0.00 H new ATOM 1224 N GLU B 948 9.093 8.878 3.471 1.00 0.00 N ATOM 1225 CA GLU B 948 9.270 8.663 4.903 1.00 0.00 C ATOM 1226 C GLU B 948 7.957 8.243 5.557 1.00 0.00 C ATOM 1227 O GLU B 948 7.945 7.436 6.486 1.00 0.00 O ATOM 1228 CB GLU B 948 9.801 9.934 5.569 1.00 0.00 C ATOM 1229 CG GLU B 948 10.145 9.751 7.040 1.00 0.00 C ATOM 1230 CD GLU B 948 10.580 11.044 7.703 1.00 0.00 C ATOM 1231 OE1 GLU B 948 10.577 12.093 7.024 1.00 0.00 O ATOM 1232 OE2 GLU B 948 10.923 11.007 8.904 1.00 0.00 O ATOM 0 H GLU B 948 9.329 9.819 3.154 1.00 0.00 H new ATOM 0 HA GLU B 948 9.995 7.860 5.037 1.00 0.00 H new ATOM 0 HB2 GLU B 948 10.690 10.270 5.035 1.00 0.00 H new ATOM 0 HB3 GLU B 948 9.055 10.723 5.474 1.00 0.00 H new ATOM 0 HG2 GLU B 948 9.277 9.352 7.565 1.00 0.00 H new ATOM 0 HG3 GLU B 948 10.942 9.013 7.134 1.00 0.00 H new ATOM 1239 N MET B 949 6.854 8.798 5.066 1.00 0.00 N ATOM 1240 CA MET B 949 5.535 8.482 5.603 1.00 0.00 C ATOM 1241 C MET B 949 5.014 7.166 5.034 1.00 0.00 C ATOM 1242 O MET B 949 4.336 6.405 5.725 1.00 0.00 O ATOM 1243 CB MET B 949 4.552 9.612 5.292 1.00 0.00 C ATOM 1244 CG MET B 949 3.177 9.410 5.906 1.00 0.00 C ATOM 1245 SD MET B 949 2.050 10.772 5.551 1.00 0.00 S ATOM 1246 CE MET B 949 1.679 10.466 3.826 1.00 0.00 C ATOM 0 H MET B 949 6.847 9.469 4.297 1.00 0.00 H new ATOM 0 HA MET B 949 5.627 8.376 6.684 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.967 10.553 5.653 1.00 0.00 H new ATOM 0 HB3 MET B 949 4.448 9.704 4.211 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.748 8.481 5.529 1.00 0.00 H new ATOM 0 HG3 MET B 949 3.278 9.300 6.986 1.00 0.00 H new ATOM 0 HE1 MET B 949 1.716 11.405 3.274 1.00 0.00 H new ATOM 0 HE2 MET B 949 2.412 9.773 3.413 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.682 10.033 3.739 1.00 0.00 H new ATOM 1256 N ALA B 950 5.333 6.905 3.771 1.00 0.00 N ATOM 1257 CA ALA B 950 4.895 5.683 3.106 1.00 0.00 C ATOM 1258 C ALA B 950 5.616 4.459 3.663 1.00 0.00 C ATOM 1259 O ALA B 950 5.036 3.379 3.764 1.00 0.00 O ATOM 1260 CB ALA B 950 5.118 5.791 1.607 1.00 0.00 C ATOM 0 H ALA B 950 5.894 7.524 3.186 1.00 0.00 H new ATOM 0 HA ALA B 950 3.829 5.559 3.298 1.00 0.00 H new ATOM 0 HB1 ALA B 950 4.787 4.872 1.123 1.00 0.00 H new ATOM 0 HB2 ALA B 950 4.549 6.634 1.214 1.00 0.00 H new ATOM 0 HB3 ALA B 950 6.178 5.945 1.407 1.00 0.00 H new ATOM 1266 N LYS B 951 6.885 4.635 4.020 1.00 0.00 N ATOM 1267 CA LYS B 951 7.684 3.541 4.562 1.00 0.00 C ATOM 1268 C LYS B 951 7.059 2.986 5.840 1.00 0.00 C ATOM 1269 O LYS B 951 7.217 1.807 6.157 1.00 0.00 O ATOM 1270 CB LYS B 951 9.112 4.012 4.840 1.00 0.00 C ATOM 1271 CG LYS B 951 9.206 5.069 5.930 1.00 0.00 C ATOM 1272 CD LYS B 951 10.171 4.655 7.030 1.00 0.00 C ATOM 1273 CE LYS B 951 9.649 5.044 8.404 1.00 0.00 C ATOM 1274 NZ LYS B 951 9.951 4.005 9.428 1.00 0.00 N ATOM 0 H LYS B 951 7.381 5.523 3.944 1.00 0.00 H new ATOM 0 HA LYS B 951 7.710 2.744 3.819 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.719 3.153 5.126 1.00 0.00 H new ATOM 0 HB3 LYS B 951 9.539 4.412 3.920 1.00 0.00 H new ATOM 0 HG2 LYS B 951 9.533 6.013 5.495 1.00 0.00 H new ATOM 0 HG3 LYS B 951 8.218 5.240 6.357 1.00 0.00 H new ATOM 0 HD2 LYS B 951 10.328 3.577 6.991 1.00 0.00 H new ATOM 0 HD3 LYS B 951 11.140 5.125 6.861 1.00 0.00 H new ATOM 0 HE2 LYS B 951 10.094 5.992 8.706 1.00 0.00 H new ATOM 0 HE3 LYS B 951 8.571 5.200 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 9.579 4.308 10.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 9.505 3.107 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 10.980 3.874 9.496 1.00 0.00 H new ATOM 1288 N ALA B 952 6.353 3.843 6.570 1.00 0.00 N ATOM 1289 CA ALA B 952 5.708 3.435 7.813 1.00 0.00 C ATOM 1290 C ALA B 952 4.709 2.310 7.569 1.00 0.00 C ATOM 1291 O ALA B 952 4.633 1.355 8.343 1.00 0.00 O ATOM 1292 CB ALA B 952 5.018 4.624 8.463 1.00 0.00 C ATOM 0 H ALA B 952 6.213 4.823 6.323 1.00 0.00 H new ATOM 0 HA ALA B 952 6.478 3.062 8.488 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.541 4.306 9.390 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.754 5.397 8.681 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.264 5.022 7.785 1.00 0.00 H new ATOM 1298 N LEU B 953 3.943 2.429 6.490 1.00 0.00 N ATOM 1299 CA LEU B 953 2.947 1.421 6.144 1.00 0.00 C ATOM 1300 C LEU B 953 3.613 0.100 5.772 1.00 0.00 C ATOM 1301 O LEU B 953 3.179 -0.968 6.202 1.00 0.00 O ATOM 1302 CB LEU B 953 2.080 1.911 4.983 1.00 0.00 C ATOM 1303 CG LEU B 953 0.999 0.931 4.521 1.00 0.00 C ATOM 1304 CD1 LEU B 953 -0.213 1.683 3.995 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.553 -0.008 3.458 1.00 0.00 C ATOM 0 H LEU B 953 3.993 3.213 5.840 1.00 0.00 H new ATOM 0 HA LEU B 953 2.317 1.255 7.018 1.00 0.00 H new ATOM 0 HB2 LEU B 953 1.600 2.845 5.277 1.00 0.00 H new ATOM 0 HB3 LEU B 953 2.728 2.138 4.137 1.00 0.00 H new ATOM 0 HG LEU B 953 0.684 0.334 5.377 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.971 0.970 3.671 1.00 0.00 H new ATOM 0 HD12 LEU B 953 -0.621 2.313 4.785 1.00 0.00 H new ATOM 0 HD13 LEU B 953 0.083 2.306 3.151 1.00 0.00 H new ATOM 0 HD21 LEU B 953 0.772 -0.699 3.140 1.00 0.00 H new ATOM 0 HD22 LEU B 953 1.894 0.573 2.601 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.390 -0.572 3.871 1.00 0.00 H new ATOM 1317 N GLU B 954 4.668 0.181 4.968 1.00 0.00 N ATOM 1318 CA GLU B 954 5.394 -1.007 4.535 1.00 0.00 C ATOM 1319 C GLU B 954 6.099 -1.677 5.710 1.00 0.00 C ATOM 1320 O GLU B 954 6.274 -2.894 5.728 1.00 0.00 O ATOM 1321 CB GLU B 954 6.415 -0.640 3.456 1.00 0.00 C ATOM 1322 CG GLU B 954 7.114 -1.844 2.846 1.00 0.00 C ATOM 1323 CD GLU B 954 8.181 -1.454 1.840 1.00 0.00 C ATOM 1324 OE1 GLU B 954 8.415 -0.239 1.662 1.00 0.00 O ATOM 1325 OE2 GLU B 954 8.784 -2.364 1.232 1.00 0.00 O ATOM 0 H GLU B 954 5.039 1.058 4.603 1.00 0.00 H new ATOM 0 HA GLU B 954 4.672 -1.711 4.121 1.00 0.00 H new ATOM 0 HB2 GLU B 954 5.912 -0.083 2.665 1.00 0.00 H new ATOM 0 HB3 GLU B 954 7.164 0.025 3.887 1.00 0.00 H new ATOM 0 HG2 GLU B 954 7.568 -2.436 3.640 1.00 0.00 H new ATOM 0 HG3 GLU B 954 6.375 -2.479 2.358 1.00 0.00 H new ATOM 1332 N ALA B 955 6.504 -0.873 6.688 1.00 0.00 N ATOM 1333 CA ALA B 955 7.194 -1.390 7.864 1.00 0.00 C ATOM 1334 C ALA B 955 6.356 -2.442 8.585 1.00 0.00 C ATOM 1335 O ALA B 955 6.891 -3.392 9.155 1.00 0.00 O ATOM 1336 CB ALA B 955 7.541 -0.252 8.813 1.00 0.00 C ATOM 0 H ALA B 955 6.366 0.138 6.689 1.00 0.00 H new ATOM 0 HA ALA B 955 8.114 -1.868 7.529 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.056 -0.651 9.687 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.190 0.461 8.304 1.00 0.00 H new ATOM 0 HB3 ALA B 955 6.627 0.250 9.129 1.00 0.00 H new ATOM 1342 N GLU B 956 5.038 -2.265 8.557 1.00 0.00 N ATOM 1343 CA GLU B 956 4.130 -3.200 9.211 1.00 0.00 C ATOM 1344 C GLU B 956 3.937 -4.459 8.372 1.00 0.00 C ATOM 1345 O GLU B 956 4.141 -5.574 8.852 1.00 0.00 O ATOM 1346 CB GLU B 956 2.778 -2.533 9.469 1.00 0.00 C ATOM 1347 CG GLU B 956 2.848 -1.371 10.447 1.00 0.00 C ATOM 1348 CD GLU B 956 1.478 -0.847 10.833 1.00 0.00 C ATOM 1349 OE1 GLU B 956 0.470 -1.403 10.350 1.00 0.00 O ATOM 1350 OE2 GLU B 956 1.414 0.122 11.621 1.00 0.00 O ATOM 0 H GLU B 956 4.577 -1.485 8.090 1.00 0.00 H new ATOM 0 HA GLU B 956 4.575 -3.489 10.163 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.372 -2.176 8.522 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.082 -3.279 9.853 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.377 -1.689 11.345 1.00 0.00 H new ATOM 0 HG3 GLU B 956 3.430 -0.563 10.004 1.00 0.00 H new ATOM 1357 N LEU B 957 3.540 -4.275 7.117 1.00 0.00 N ATOM 1358 CA LEU B 957 3.317 -5.398 6.213 1.00 0.00 C ATOM 1359 C LEU B 957 4.616 -6.147 5.936 1.00 0.00 C ATOM 1360 O LEU B 957 4.615 -7.363 5.750 1.00 0.00 O ATOM 1361 CB LEU B 957 2.696 -4.909 4.900 1.00 0.00 C ATOM 1362 CG LEU B 957 2.317 -6.007 3.899 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.594 -7.152 4.597 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.456 -5.433 2.782 1.00 0.00 C ATOM 0 H LEU B 957 3.366 -3.359 6.703 1.00 0.00 H new ATOM 0 HA LEU B 957 2.625 -6.088 6.696 1.00 0.00 H new ATOM 0 HB2 LEU B 957 1.802 -4.331 5.134 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.398 -4.229 4.418 1.00 0.00 H new ATOM 0 HG LEU B 957 3.234 -6.402 3.462 1.00 0.00 H new ATOM 0 HD11 LEU B 957 1.335 -7.918 3.866 1.00 0.00 H new ATOM 0 HD12 LEU B 957 2.244 -7.582 5.359 1.00 0.00 H new ATOM 0 HD13 LEU B 957 0.685 -6.776 5.066 1.00 0.00 H new ATOM 0 HD21 LEU B 957 1.195 -6.225 2.080 1.00 0.00 H new ATOM 0 HD22 LEU B 957 0.545 -5.010 3.206 1.00 0.00 H new ATOM 0 HD23 LEU B 957 2.010 -4.653 2.260 1.00 0.00 H new ATOM 1376 N ASN B 958 5.725 -5.413 5.915 1.00 0.00 N ATOM 1377 CA ASN B 958 7.030 -6.013 5.665 1.00 0.00 C ATOM 1378 C ASN B 958 7.359 -7.058 6.727 1.00 0.00 C ATOM 1379 O ASN B 958 7.940 -8.102 6.429 1.00 0.00 O ATOM 1380 CB ASN B 958 8.116 -4.936 5.636 1.00 0.00 C ATOM 1381 CG ASN B 958 9.485 -5.501 5.315 1.00 0.00 C ATOM 1382 OD1 ASN B 958 9.682 -5.898 4.063 1.00 0.00 O flip ATOM 1383 ND2 ASN B 958 10.357 -5.580 6.181 1.00 0.00 N flip ATOM 0 H ASN B 958 5.745 -4.405 6.068 1.00 0.00 H new ATOM 0 HA ASN B 958 6.995 -6.506 4.694 1.00 0.00 H new ATOM 0 HB2 ASN B 958 7.855 -4.181 4.894 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.151 -4.434 6.603 1.00 0.00 H new ATOM 0 HD21 ASN B 958 10.163 -5.263 7.131 1.00 0.00 H new ATOM 0 HD22 ASN B 958 11.274 -5.962 5.948 1.00 0.00 H new ATOM 1390 N ASP B 959 6.984 -6.769 7.970 1.00 0.00 N ATOM 1391 CA ASP B 959 7.240 -7.683 9.077 1.00 0.00 C ATOM 1392 C ASP B 959 6.405 -8.952 8.938 1.00 0.00 C ATOM 1393 O ASP B 959 6.892 -10.057 9.179 1.00 0.00 O ATOM 1394 CB ASP B 959 6.931 -7.000 10.412 1.00 0.00 C ATOM 1395 CG ASP B 959 7.853 -5.829 10.689 1.00 0.00 C ATOM 1396 OD1 ASP B 959 8.912 -5.737 10.032 1.00 0.00 O ATOM 1397 OD2 ASP B 959 7.517 -5.003 11.563 1.00 0.00 O ATOM 0 H ASP B 959 6.502 -5.910 8.235 1.00 0.00 H new ATOM 0 HA ASP B 959 8.295 -7.958 9.052 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.898 -6.653 10.409 1.00 0.00 H new ATOM 0 HB3 ASP B 959 7.020 -7.728 11.219 1.00 0.00 H new ATOM 1402 N LEU B 960 5.147 -8.786 8.543 1.00 0.00 N ATOM 1403 CA LEU B 960 4.244 -9.919 8.368 1.00 0.00 C ATOM 1404 C LEU B 960 4.794 -10.893 7.330 1.00 0.00 C ATOM 1405 O LEU B 960 4.622 -12.106 7.450 1.00 0.00 O ATOM 1406 CB LEU B 960 2.854 -9.427 7.948 1.00 0.00 C ATOM 1407 CG LEU B 960 1.868 -10.527 7.537 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.737 -10.649 8.548 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.316 -10.250 6.147 1.00 0.00 C ATOM 0 H LEU B 960 4.729 -7.878 8.338 1.00 0.00 H new ATOM 0 HA LEU B 960 4.161 -10.443 9.320 1.00 0.00 H new ATOM 0 HB2 LEU B 960 2.421 -8.863 8.774 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.968 -8.734 7.115 1.00 0.00 H new ATOM 0 HG LEU B 960 2.404 -11.476 7.516 1.00 0.00 H new ATOM 0 HD11 LEU B 960 0.051 -11.436 8.234 1.00 0.00 H new ATOM 0 HD12 LEU B 960 1.149 -10.896 9.527 1.00 0.00 H new ATOM 0 HD13 LEU B 960 0.200 -9.703 8.609 1.00 0.00 H new ATOM 0 HD21 LEU B 960 0.618 -11.039 5.869 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.799 -9.291 6.145 1.00 0.00 H new ATOM 0 HD23 LEU B 960 2.136 -10.221 5.429 1.00 0.00 H new ATOM 1421 N MET B 961 5.455 -10.353 6.313 1.00 0.00 N ATOM 1422 CA MET B 961 6.032 -11.173 5.254 1.00 0.00 C ATOM 1423 C MET B 961 4.950 -11.978 4.539 1.00 0.00 C ATOM 1424 O MET B 961 5.256 -13.094 4.069 1.00 0.00 O ATOM 1425 CB MET B 961 7.091 -12.115 5.830 1.00 0.00 C ATOM 1426 CG MET B 961 8.058 -12.655 4.788 1.00 0.00 C ATOM 1427 SD MET B 961 9.233 -13.836 5.478 1.00 0.00 S ATOM 1428 CE MET B 961 10.206 -14.233 4.027 1.00 0.00 C ATOM 1429 OXT MET B 961 3.807 -11.484 4.454 1.00 0.00 O ATOM 0 H MET B 961 5.605 -9.351 6.199 1.00 0.00 H new ATOM 0 HA MET B 961 6.503 -10.509 4.529 1.00 0.00 H new ATOM 0 HB2 MET B 961 7.656 -11.587 6.598 1.00 0.00 H new ATOM 0 HB3 MET B 961 6.593 -12.952 6.319 1.00 0.00 H new ATOM 0 HG2 MET B 961 7.494 -13.135 3.988 1.00 0.00 H new ATOM 0 HG3 MET B 961 8.604 -11.825 4.340 1.00 0.00 H new ATOM 0 HE1 MET B 961 11.021 -14.900 4.307 1.00 0.00 H new ATOM 0 HE2 MET B 961 9.573 -14.724 3.288 1.00 0.00 H new ATOM 0 HE3 MET B 961 10.616 -13.317 3.602 1.00 0.00 H new