USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -12.8! C(o=-26!,f=-28!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -13! (180deg=-9.19!) USER MOD Set 2.1: A 75 SER OG : rot -36:sc= -0.994 USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -5.91! (180deg=-5.22!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ 160:sc= 0.0803 (180deg=0) USER MOD Set 3.2: A 34 TYR OH : rot 25:sc= -5.14! USER MOD Set 4.1: A 25 THR OG1 : rot 180:sc= 0.741 USER MOD Set 4.2: A 37 THR OG1 : rot 31:sc= 1.62 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 66:sc= 0.0639 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 17 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.669 F(o=-2.1,f=-0.67) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.91! C(o=-9.4!,f=-4.9!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -170:sc= 0.244 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 15:sc= 0.357 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0074 (180deg=-0.265) USER MOD Single : A 59 THR OG1 : rot -130:sc= -2.24! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -111:sc= 1.42 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -11.5! C(o=-12!,f=-13!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.42! (180deg=-5.42!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.440 -2.023 -32.106 1.00 0.00 N ATOM 2 CA ALA A 1 32.382 -0.840 -32.948 1.00 0.00 C ATOM 3 C ALA A 1 31.310 0.110 -32.412 1.00 0.00 C ATOM 4 O ALA A 1 31.606 1.252 -32.065 1.00 0.00 O ATOM 5 CB ALA A 1 32.120 -1.256 -34.397 1.00 0.00 C ATOM 0 H1 ALA A 1 33.168 -2.671 -32.468 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.677 -1.745 -31.132 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.516 -2.501 -32.114 1.00 0.00 H new ATOM 0 HA ALA A 1 33.334 -0.309 -32.928 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.077 -0.368 -35.028 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.925 -1.906 -34.740 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.172 -1.790 -34.456 1.00 0.00 H new ATOM 11 N GLU A 2 30.087 -0.396 -32.359 1.00 0.00 N ATOM 12 CA GLU A 2 28.969 0.393 -31.871 1.00 0.00 C ATOM 13 C GLU A 2 27.724 -0.485 -31.721 1.00 0.00 C ATOM 14 O GLU A 2 27.687 -1.604 -32.228 1.00 0.00 O ATOM 15 CB GLU A 2 28.693 1.582 -32.794 1.00 0.00 C ATOM 16 CG GLU A 2 28.704 2.897 -32.011 1.00 0.00 C ATOM 17 CD GLU A 2 27.818 3.945 -32.689 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.103 4.251 -33.867 1.00 0.00 O ATOM 19 OE2 GLU A 2 26.878 4.415 -32.014 1.00 0.00 O ATOM 0 H GLU A 2 29.845 -1.344 -32.647 1.00 0.00 H new ATOM 0 HA GLU A 2 29.230 0.789 -30.890 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.445 1.617 -33.582 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.727 1.452 -33.281 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.353 2.722 -30.994 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.725 3.272 -31.936 1.00 0.00 H new ATOM 26 N GLU A 3 26.737 0.058 -31.023 1.00 0.00 N ATOM 27 CA GLU A 3 25.496 -0.661 -30.800 1.00 0.00 C ATOM 28 C GLU A 3 24.505 0.217 -30.033 1.00 0.00 C ATOM 29 O GLU A 3 24.849 1.315 -29.599 1.00 0.00 O ATOM 30 CB GLU A 3 25.749 -1.977 -30.061 1.00 0.00 C ATOM 31 CG GLU A 3 26.265 -1.718 -28.644 1.00 0.00 C ATOM 32 CD GLU A 3 26.029 -2.934 -27.745 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.853 -3.160 -27.393 1.00 0.00 O ATOM 34 OE2 GLU A 3 27.034 -3.610 -27.432 1.00 0.00 O ATOM 0 H GLU A 3 26.773 0.988 -30.605 1.00 0.00 H new ATOM 0 HA GLU A 3 25.061 -0.905 -31.769 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.827 -2.556 -30.016 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.474 -2.575 -30.613 1.00 0.00 H new ATOM 0 HG2 GLU A 3 27.330 -1.487 -28.677 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.762 -0.847 -28.223 1.00 0.00 H new ATOM 41 N SER A 4 23.292 -0.300 -29.891 1.00 0.00 N ATOM 42 CA SER A 4 22.249 0.423 -29.184 1.00 0.00 C ATOM 43 C SER A 4 20.981 -0.429 -29.109 1.00 0.00 C ATOM 44 O SER A 4 20.909 -1.497 -29.715 1.00 0.00 O ATOM 45 CB SER A 4 21.949 1.761 -29.865 1.00 0.00 C ATOM 46 OG SER A 4 21.321 2.681 -28.976 1.00 0.00 O ATOM 0 H SER A 4 23.009 -1.210 -30.254 1.00 0.00 H new ATOM 0 HA SER A 4 22.601 0.630 -28.173 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.877 2.194 -30.239 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.305 1.593 -30.728 1.00 0.00 H new ATOM 0 HG SER A 4 21.147 3.523 -29.446 1.00 0.00 H new ATOM 52 N SER A 5 20.012 0.072 -28.358 1.00 0.00 N ATOM 53 CA SER A 5 18.750 -0.630 -28.193 1.00 0.00 C ATOM 54 C SER A 5 17.828 0.162 -27.266 1.00 0.00 C ATOM 55 O SER A 5 18.268 1.092 -26.590 1.00 0.00 O ATOM 56 CB SER A 5 18.973 -2.040 -27.645 1.00 0.00 C ATOM 57 OG SER A 5 18.632 -3.044 -28.597 1.00 0.00 O ATOM 0 H SER A 5 20.075 0.958 -27.856 1.00 0.00 H new ATOM 0 HA SER A 5 18.278 -0.721 -29.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.017 -2.155 -27.355 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.375 -2.177 -26.744 1.00 0.00 H new ATOM 0 HG SER A 5 19.246 -2.994 -29.359 1.00 0.00 H new ATOM 63 N LYS A 6 16.564 -0.236 -27.260 1.00 0.00 N ATOM 64 CA LYS A 6 15.575 0.425 -26.425 1.00 0.00 C ATOM 65 C LYS A 6 14.240 -0.313 -26.543 1.00 0.00 C ATOM 66 O LYS A 6 13.554 -0.204 -27.559 1.00 0.00 O ATOM 67 CB LYS A 6 15.489 1.913 -26.772 1.00 0.00 C ATOM 68 CG LYS A 6 15.256 2.755 -25.516 1.00 0.00 C ATOM 69 CD LYS A 6 15.525 4.235 -25.792 1.00 0.00 C ATOM 70 CE LYS A 6 15.663 5.020 -24.486 1.00 0.00 C ATOM 71 NZ LYS A 6 14.704 6.147 -24.455 1.00 0.00 N ATOM 0 H LYS A 6 16.202 -1.008 -27.820 1.00 0.00 H new ATOM 0 HA LYS A 6 15.871 0.383 -25.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.410 2.230 -27.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.678 2.079 -27.481 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.230 2.626 -25.172 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.907 2.407 -24.714 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.436 4.339 -26.381 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.712 4.651 -26.387 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.485 4.360 -23.637 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.681 5.398 -24.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.811 6.669 -23.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.892 6.785 -25.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.734 5.779 -24.527 1.00 0.00 H new ATOM 85 N ALA A 7 13.911 -1.048 -25.491 1.00 0.00 N ATOM 86 CA ALA A 7 12.670 -1.803 -25.463 1.00 0.00 C ATOM 87 C ALA A 7 12.701 -2.786 -24.290 1.00 0.00 C ATOM 88 O ALA A 7 13.078 -3.943 -24.456 1.00 0.00 O ATOM 89 CB ALA A 7 12.471 -2.506 -26.808 1.00 0.00 C ATOM 0 H ALA A 7 14.483 -1.137 -24.651 1.00 0.00 H new ATOM 0 HA ALA A 7 11.819 -1.138 -25.313 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.540 -3.073 -26.788 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.426 -1.763 -27.604 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.305 -3.184 -26.991 1.00 0.00 H new ATOM 95 N VAL A 8 12.300 -2.286 -23.131 1.00 0.00 N ATOM 96 CA VAL A 8 12.277 -3.104 -21.930 1.00 0.00 C ATOM 97 C VAL A 8 11.815 -4.516 -22.291 1.00 0.00 C ATOM 98 O VAL A 8 12.561 -5.480 -22.121 1.00 0.00 O ATOM 99 CB VAL A 8 11.403 -2.443 -20.862 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.417 -1.458 -21.494 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.668 -3.494 -20.028 1.00 0.00 C ATOM 0 H VAL A 8 11.988 -1.324 -22.998 1.00 0.00 H new ATOM 0 HA VAL A 8 13.277 -3.187 -21.505 1.00 0.00 H new ATOM 0 HB VAL A 8 12.057 -1.882 -20.194 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.808 -1.002 -20.714 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.968 -0.681 -22.024 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.772 -1.988 -22.195 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.054 -2.998 -19.276 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.031 -4.094 -20.678 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.394 -4.140 -19.534 1.00 0.00 H new ATOM 111 N LYS A 9 10.586 -4.596 -22.782 1.00 0.00 N ATOM 112 CA LYS A 9 10.016 -5.876 -23.168 1.00 0.00 C ATOM 113 C LYS A 9 9.559 -6.624 -21.914 1.00 0.00 C ATOM 114 O LYS A 9 8.395 -7.009 -21.807 1.00 0.00 O ATOM 115 CB LYS A 9 11.005 -6.665 -24.028 1.00 0.00 C ATOM 116 CG LYS A 9 10.372 -7.062 -25.364 1.00 0.00 C ATOM 117 CD LYS A 9 11.272 -8.036 -26.129 1.00 0.00 C ATOM 118 CE LYS A 9 10.664 -8.395 -27.485 1.00 0.00 C ATOM 119 NZ LYS A 9 11.721 -8.812 -28.434 1.00 0.00 N ATOM 0 H LYS A 9 9.970 -3.795 -22.921 1.00 0.00 H new ATOM 0 HA LYS A 9 9.134 -5.728 -23.791 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.897 -6.064 -24.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.326 -7.559 -23.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.400 -7.522 -25.187 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.198 -6.171 -25.967 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.256 -7.590 -26.274 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.417 -8.942 -25.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.939 -9.199 -27.363 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.124 -7.537 -27.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.290 -9.052 -29.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.398 -8.033 -28.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.218 -9.644 -28.056 1.00 0.00 H new ATOM 133 N TYR A 10 10.498 -6.807 -20.997 1.00 0.00 N ATOM 134 CA TYR A 10 10.205 -7.503 -19.756 1.00 0.00 C ATOM 135 C TYR A 10 10.843 -6.787 -18.563 1.00 0.00 C ATOM 136 O TYR A 10 12.065 -6.692 -18.474 1.00 0.00 O ATOM 137 CB TYR A 10 10.828 -8.893 -19.894 1.00 0.00 C ATOM 138 CG TYR A 10 11.610 -9.098 -21.194 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.882 -8.578 -21.323 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.043 -9.804 -22.235 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.616 -8.771 -22.546 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.779 -9.997 -23.457 1.00 0.00 C ATOM 143 CZ TYR A 10 13.029 -9.471 -23.553 1.00 0.00 C ATOM 144 OH TYR A 10 13.724 -9.653 -24.708 1.00 0.00 O ATOM 0 H TYR A 10 11.462 -6.485 -21.089 1.00 0.00 H new ATOM 0 HA TYR A 10 9.130 -7.543 -19.583 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.495 -9.067 -19.050 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.038 -9.642 -19.835 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.326 -8.027 -20.507 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.048 -10.211 -22.133 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.612 -8.368 -22.661 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.348 -10.548 -24.280 1.00 0.00 H new ATOM 0 HH TYR A 10 13.181 -10.172 -25.338 1.00 0.00 H new ATOM 154 N TYR A 11 9.985 -6.302 -17.677 1.00 0.00 N ATOM 155 CA TYR A 11 10.449 -5.598 -16.494 1.00 0.00 C ATOM 156 C TYR A 11 9.841 -6.198 -15.224 1.00 0.00 C ATOM 157 O TYR A 11 8.924 -7.015 -15.298 1.00 0.00 O ATOM 158 CB TYR A 11 9.964 -4.156 -16.644 1.00 0.00 C ATOM 159 CG TYR A 11 11.078 -3.152 -16.949 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.219 -3.567 -17.604 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.942 -1.833 -16.567 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.269 -2.622 -17.890 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.991 -0.889 -16.854 1.00 0.00 C ATOM 164 CZ TYR A 11 13.102 -1.331 -17.501 1.00 0.00 C ATOM 165 OH TYR A 11 14.093 -0.439 -17.772 1.00 0.00 O ATOM 0 H TYR A 11 8.971 -6.383 -17.755 1.00 0.00 H new ATOM 0 HA TYR A 11 11.533 -5.668 -16.407 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.223 -4.114 -17.442 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.460 -3.856 -15.725 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.325 -4.600 -17.902 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.049 -1.509 -16.053 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.168 -2.933 -18.402 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.897 0.147 -16.562 1.00 0.00 H new ATOM 0 HH TYR A 11 13.837 0.446 -17.438 1.00 0.00 H new ATOM 175 N THR A 12 10.377 -5.771 -14.090 1.00 0.00 N ATOM 176 CA THR A 12 9.899 -6.256 -12.807 1.00 0.00 C ATOM 177 C THR A 12 9.066 -5.181 -12.106 1.00 0.00 C ATOM 178 O THR A 12 9.308 -3.989 -12.287 1.00 0.00 O ATOM 179 CB THR A 12 11.111 -6.711 -11.993 1.00 0.00 C ATOM 180 OG1 THR A 12 11.804 -5.503 -11.695 1.00 0.00 O ATOM 181 CG2 THR A 12 12.109 -7.517 -12.828 1.00 0.00 C ATOM 0 H THR A 12 11.138 -5.094 -14.033 1.00 0.00 H new ATOM 0 HA THR A 12 9.232 -7.109 -12.931 1.00 0.00 H new ATOM 0 HB THR A 12 10.775 -7.313 -11.149 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.604 -5.707 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.950 -7.815 -12.202 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.618 -8.406 -13.224 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.471 -6.904 -13.654 1.00 0.00 H new ATOM 189 N LEU A 13 8.101 -5.641 -11.324 1.00 0.00 N ATOM 190 CA LEU A 13 7.230 -4.733 -10.596 1.00 0.00 C ATOM 191 C LEU A 13 8.064 -3.586 -10.023 1.00 0.00 C ATOM 192 O LEU A 13 7.606 -2.445 -9.975 1.00 0.00 O ATOM 193 CB LEU A 13 6.423 -5.494 -9.543 1.00 0.00 C ATOM 194 CG LEU A 13 5.005 -5.901 -9.951 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.214 -6.412 -8.745 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.288 -4.752 -10.661 1.00 0.00 C ATOM 0 H LEU A 13 7.903 -6.631 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 13 6.494 -4.289 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.974 -6.394 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.359 -4.877 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 13 5.077 -6.724 -10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.210 -6.695 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.718 -7.280 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.149 -5.626 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.283 -5.068 -10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.226 -3.893 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.843 -4.475 -11.557 1.00 0.00 H new ATOM 208 N GLU A 14 9.272 -3.928 -9.599 1.00 0.00 N ATOM 209 CA GLU A 14 10.174 -2.941 -9.029 1.00 0.00 C ATOM 210 C GLU A 14 10.584 -1.920 -10.093 1.00 0.00 C ATOM 211 O GLU A 14 10.495 -0.715 -9.869 1.00 0.00 O ATOM 212 CB GLU A 14 11.402 -3.611 -8.411 1.00 0.00 C ATOM 213 CG GLU A 14 11.435 -3.403 -6.896 1.00 0.00 C ATOM 214 CD GLU A 14 12.605 -4.160 -6.265 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.756 -3.744 -6.523 1.00 0.00 O ATOM 216 OE2 GLU A 14 12.324 -5.135 -5.537 1.00 0.00 O ATOM 0 H GLU A 14 9.647 -4.876 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 14 9.648 -2.416 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.390 -4.678 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.308 -3.201 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.522 -2.340 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.497 -3.745 -6.458 1.00 0.00 H new ATOM 223 N GLU A 15 11.025 -2.441 -11.229 1.00 0.00 N ATOM 224 CA GLU A 15 11.448 -1.590 -12.329 1.00 0.00 C ATOM 225 C GLU A 15 10.343 -0.595 -12.685 1.00 0.00 C ATOM 226 O GLU A 15 10.622 0.556 -13.019 1.00 0.00 O ATOM 227 CB GLU A 15 11.848 -2.426 -13.546 1.00 0.00 C ATOM 228 CG GLU A 15 13.038 -1.797 -14.275 1.00 0.00 C ATOM 229 CD GLU A 15 14.336 -2.022 -13.500 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.403 -1.535 -12.351 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.234 -2.677 -14.073 1.00 0.00 O ATOM 0 H GLU A 15 11.099 -3.442 -11.412 1.00 0.00 H new ATOM 0 HA GLU A 15 12.326 -1.028 -12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.104 -3.437 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.002 -2.510 -14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.127 -2.227 -15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.867 -0.728 -14.403 1.00 0.00 H new ATOM 238 N ILE A 16 9.110 -1.072 -12.602 1.00 0.00 N ATOM 239 CA ILE A 16 7.962 -0.239 -12.913 1.00 0.00 C ATOM 240 C ILE A 16 7.733 0.752 -11.772 1.00 0.00 C ATOM 241 O ILE A 16 7.401 1.913 -12.009 1.00 0.00 O ATOM 242 CB ILE A 16 6.740 -1.106 -13.229 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.108 -2.246 -14.179 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.591 -0.254 -13.774 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.586 -3.586 -13.657 1.00 0.00 C ATOM 0 H ILE A 16 8.881 -2.026 -12.323 1.00 0.00 H new ATOM 0 HA ILE A 16 8.150 0.347 -13.813 1.00 0.00 H new ATOM 0 HB ILE A 16 6.393 -1.560 -12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.691 -2.049 -15.167 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.191 -2.293 -14.293 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.735 -0.893 -13.991 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.308 0.493 -13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.911 0.246 -14.688 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.862 -4.379 -14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.023 -3.791 -12.680 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.501 -3.543 -13.567 1.00 0.00 H new ATOM 257 N GLN A 17 7.918 0.259 -10.556 1.00 0.00 N ATOM 258 CA GLN A 17 7.738 1.087 -9.376 1.00 0.00 C ATOM 259 C GLN A 17 8.706 2.271 -9.404 1.00 0.00 C ATOM 260 O GLN A 17 8.382 3.356 -8.921 1.00 0.00 O ATOM 261 CB GLN A 17 7.912 0.267 -8.097 1.00 0.00 C ATOM 262 CG GLN A 17 6.940 0.730 -7.010 1.00 0.00 C ATOM 263 CD GLN A 17 7.693 1.197 -5.763 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.911 1.262 -5.729 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.903 1.518 -4.743 1.00 0.00 N ATOM 0 H GLN A 17 8.191 -0.705 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 17 6.720 1.476 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.746 -0.788 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.937 0.361 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.322 1.543 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.266 -0.086 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.890 1.441 -4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.310 1.842 -3.865 1.00 0.00 H new ATOM 274 N LYS A 18 9.876 2.025 -9.976 1.00 0.00 N ATOM 275 CA LYS A 18 10.894 3.057 -10.074 1.00 0.00 C ATOM 276 C LYS A 18 10.426 4.137 -11.053 1.00 0.00 C ATOM 277 O LYS A 18 10.797 5.302 -10.920 1.00 0.00 O ATOM 278 CB LYS A 18 12.247 2.442 -10.436 1.00 0.00 C ATOM 279 CG LYS A 18 12.641 1.354 -9.435 1.00 0.00 C ATOM 280 CD LYS A 18 13.420 1.948 -8.260 1.00 0.00 C ATOM 281 CE LYS A 18 14.803 2.430 -8.706 1.00 0.00 C ATOM 282 NZ LYS A 18 15.624 2.805 -7.534 1.00 0.00 N ATOM 0 H LYS A 18 10.141 1.125 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 18 11.039 3.543 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.201 2.018 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.011 3.219 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.746 0.852 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.248 0.598 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.861 2.781 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.528 1.200 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.304 1.644 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.699 3.286 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.559 3.130 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.153 3.570 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.739 1.979 -6.912 1.00 0.00 H new ATOM 296 N HIS A 19 9.621 3.711 -12.013 1.00 0.00 N ATOM 297 CA HIS A 19 9.098 4.626 -13.014 1.00 0.00 C ATOM 298 C HIS A 19 7.696 5.083 -12.611 1.00 0.00 C ATOM 299 O HIS A 19 6.716 4.376 -12.846 1.00 0.00 O ATOM 300 CB HIS A 19 9.138 3.991 -14.405 1.00 0.00 C ATOM 301 CG HIS A 19 10.519 3.933 -15.016 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.331 4.927 -15.475 1.00 0.00 N flip ATOM 303 CD2 HIS A 19 11.205 2.748 -15.206 1.00 0.00 C flip ATOM 304 CE1 HIS A 19 12.453 4.378 -15.922 1.00 0.00 C flip ATOM 305 NE2 HIS A 19 12.378 3.027 -15.757 1.00 0.00 N flip ATOM 0 H HIS A 19 9.317 2.743 -12.120 1.00 0.00 H new ATOM 0 HA HIS A 19 9.730 5.513 -13.065 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.737 2.979 -14.343 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.482 4.554 -15.069 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.846 1.762 -14.949 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.289 4.914 -16.347 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.097 2.350 -16.012 1.00 0.00 H new ATOM 314 N ASN A 20 7.642 6.261 -12.009 1.00 0.00 N ATOM 315 CA ASN A 20 6.374 6.821 -11.571 1.00 0.00 C ATOM 316 C ASN A 20 6.430 8.347 -11.678 1.00 0.00 C ATOM 317 O ASN A 20 5.663 9.048 -11.020 1.00 0.00 O ATOM 318 CB ASN A 20 6.089 6.462 -10.111 1.00 0.00 C ATOM 319 CG ASN A 20 4.876 7.229 -9.584 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.915 7.410 -10.487 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.815 7.631 -8.434 1.00 0.00 N flip ATOM 0 H ASN A 20 8.456 6.844 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 20 5.588 6.411 -12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.911 5.390 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.962 6.691 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.588 7.458 -7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.991 8.140 -8.115 1.00 0.00 H new ATOM 328 N ASN A 21 7.346 8.815 -12.514 1.00 0.00 N ATOM 329 CA ASN A 21 7.511 10.244 -12.717 1.00 0.00 C ATOM 330 C ASN A 21 6.949 10.629 -14.087 1.00 0.00 C ATOM 331 O ASN A 21 6.918 9.809 -15.002 1.00 0.00 O ATOM 332 CB ASN A 21 8.990 10.637 -12.686 1.00 0.00 C ATOM 333 CG ASN A 21 9.562 10.504 -11.273 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.282 11.291 -10.385 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.379 9.465 -11.116 1.00 0.00 N ATOM 0 H ASN A 21 7.981 8.230 -13.058 1.00 0.00 H new ATOM 0 HA ASN A 21 6.983 10.761 -11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.553 10.003 -13.371 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.105 11.664 -13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.813 9.290 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.571 8.844 -11.902 1.00 0.00 H new ATOM 342 N SER A 22 6.519 11.879 -14.185 1.00 0.00 N ATOM 343 CA SER A 22 5.959 12.382 -15.427 1.00 0.00 C ATOM 344 C SER A 22 6.976 12.226 -16.560 1.00 0.00 C ATOM 345 O SER A 22 6.625 12.334 -17.734 1.00 0.00 O ATOM 346 CB SER A 22 5.540 13.847 -15.288 1.00 0.00 C ATOM 347 OG SER A 22 4.166 13.977 -14.930 1.00 0.00 O ATOM 0 H SER A 22 6.547 12.558 -13.424 1.00 0.00 H new ATOM 0 HA SER A 22 5.069 11.798 -15.663 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.159 14.331 -14.533 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.720 14.367 -16.229 1.00 0.00 H new ATOM 0 HG SER A 22 3.896 14.916 -15.004 1.00 0.00 H new ATOM 353 N LYS A 23 8.218 11.977 -16.169 1.00 0.00 N ATOM 354 CA LYS A 23 9.287 11.805 -17.136 1.00 0.00 C ATOM 355 C LYS A 23 9.230 10.387 -17.707 1.00 0.00 C ATOM 356 O LYS A 23 9.423 10.189 -18.906 1.00 0.00 O ATOM 357 CB LYS A 23 10.638 12.162 -16.511 1.00 0.00 C ATOM 358 CG LYS A 23 11.264 10.943 -15.829 1.00 0.00 C ATOM 359 CD LYS A 23 12.630 11.291 -15.235 1.00 0.00 C ATOM 360 CE LYS A 23 13.746 10.512 -15.933 1.00 0.00 C ATOM 361 NZ LYS A 23 14.937 10.414 -15.059 1.00 0.00 N ATOM 0 H LYS A 23 8.507 11.890 -15.195 1.00 0.00 H new ATOM 0 HA LYS A 23 9.157 12.491 -17.973 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.311 12.538 -17.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.506 12.963 -15.784 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.602 10.582 -15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.372 10.133 -16.551 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.812 12.361 -15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.635 11.064 -14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.394 9.513 -16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.013 11.006 -16.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.684 9.882 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.282 11.369 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.682 9.922 -14.179 1.00 0.00 H new ATOM 375 N SER A 24 8.963 9.437 -16.823 1.00 0.00 N ATOM 376 CA SER A 24 8.878 8.044 -17.224 1.00 0.00 C ATOM 377 C SER A 24 7.950 7.282 -16.277 1.00 0.00 C ATOM 378 O SER A 24 8.396 6.735 -15.270 1.00 0.00 O ATOM 379 CB SER A 24 10.261 7.391 -17.250 1.00 0.00 C ATOM 380 OG SER A 24 10.973 7.696 -18.447 1.00 0.00 O ATOM 0 H SER A 24 8.803 9.605 -15.830 1.00 0.00 H new ATOM 0 HA SER A 24 8.469 8.005 -18.234 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.838 7.729 -16.389 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.153 6.310 -17.157 1.00 0.00 H new ATOM 0 HG SER A 24 10.539 8.447 -18.903 1.00 0.00 H new ATOM 386 N THR A 25 6.673 7.268 -16.634 1.00 0.00 N ATOM 387 CA THR A 25 5.677 6.583 -15.827 1.00 0.00 C ATOM 388 C THR A 25 5.366 5.208 -16.422 1.00 0.00 C ATOM 389 O THR A 25 4.782 5.113 -17.500 1.00 0.00 O ATOM 390 CB THR A 25 4.452 7.491 -15.716 1.00 0.00 C ATOM 391 OG1 THR A 25 4.598 8.406 -16.799 1.00 0.00 O ATOM 392 CG2 THR A 25 4.490 8.378 -14.471 1.00 0.00 C ATOM 0 H THR A 25 6.306 7.720 -17.471 1.00 0.00 H new ATOM 0 HA THR A 25 6.046 6.390 -14.820 1.00 0.00 H new ATOM 0 HB THR A 25 3.549 6.880 -15.698 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.844 9.032 -16.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.597 9.002 -14.442 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.525 7.752 -13.579 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.375 9.013 -14.503 1.00 0.00 H new ATOM 400 N TRP A 26 5.765 4.178 -15.691 1.00 0.00 N ATOM 401 CA TRP A 26 5.535 2.813 -16.134 1.00 0.00 C ATOM 402 C TRP A 26 4.465 2.198 -15.228 1.00 0.00 C ATOM 403 O TRP A 26 4.458 2.433 -14.022 1.00 0.00 O ATOM 404 CB TRP A 26 6.840 2.013 -16.147 1.00 0.00 C ATOM 405 CG TRP A 26 7.900 2.570 -17.097 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.115 3.848 -17.438 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.890 1.809 -17.820 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.166 3.966 -18.325 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.652 2.686 -18.565 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.133 0.425 -17.847 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.708 2.278 -19.389 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.192 0.032 -18.675 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.968 0.902 -19.430 1.00 0.00 C ATOM 0 H TRP A 26 6.246 4.261 -14.795 1.00 0.00 H new ATOM 0 HA TRP A 26 5.174 2.796 -17.162 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.249 1.988 -15.137 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.620 0.983 -16.428 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.538 4.681 -17.065 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.521 4.833 -18.730 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.549 -0.280 -17.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.290 2.985 -19.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.421 -1.022 -18.730 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.768 0.519 -20.046 1.00 0.00 H new ATOM 424 N LEU A 27 3.588 1.421 -15.846 1.00 0.00 N ATOM 425 CA LEU A 27 2.516 0.770 -15.112 1.00 0.00 C ATOM 426 C LEU A 27 2.212 -0.584 -15.756 1.00 0.00 C ATOM 427 O LEU A 27 2.646 -0.855 -16.875 1.00 0.00 O ATOM 428 CB LEU A 27 1.299 1.691 -15.011 1.00 0.00 C ATOM 429 CG LEU A 27 0.258 1.552 -16.124 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.927 1.523 -17.499 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.631 0.328 -15.892 1.00 0.00 C ATOM 0 H LEU A 27 3.598 1.227 -16.847 1.00 0.00 H new ATOM 0 HA LEU A 27 2.823 0.573 -14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.807 1.507 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.650 2.723 -14.995 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.389 2.429 -16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.165 1.424 -18.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.482 2.448 -17.653 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.611 0.676 -17.553 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.362 0.252 -16.697 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.015 -0.571 -15.875 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.150 0.430 -14.939 1.00 0.00 H new ATOM 443 N ILE A 28 1.466 -1.398 -15.023 1.00 0.00 N ATOM 444 CA ILE A 28 1.098 -2.716 -15.510 1.00 0.00 C ATOM 445 C ILE A 28 -0.372 -2.706 -15.934 1.00 0.00 C ATOM 446 O ILE A 28 -1.219 -2.144 -15.242 1.00 0.00 O ATOM 447 CB ILE A 28 1.427 -3.784 -14.465 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.515 -3.296 -13.506 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.807 -5.107 -15.134 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.880 -3.258 -14.197 1.00 0.00 C ATOM 0 H ILE A 28 1.107 -1.170 -14.096 1.00 0.00 H new ATOM 0 HA ILE A 28 1.684 -2.973 -16.392 1.00 0.00 H new ATOM 0 HB ILE A 28 0.531 -3.967 -13.871 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.262 -2.301 -13.139 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.561 -3.954 -12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.036 -5.849 -14.369 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.974 -5.459 -15.743 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.682 -4.957 -15.767 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.635 -2.908 -13.493 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.142 -4.259 -14.541 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.837 -2.581 -15.050 1.00 0.00 H new ATOM 462 N LEU A 29 -0.630 -3.334 -17.072 1.00 0.00 N ATOM 463 CA LEU A 29 -1.983 -3.405 -17.598 1.00 0.00 C ATOM 464 C LEU A 29 -2.232 -4.802 -18.167 1.00 0.00 C ATOM 465 O LEU A 29 -1.629 -5.185 -19.169 1.00 0.00 O ATOM 466 CB LEU A 29 -2.226 -2.278 -18.604 1.00 0.00 C ATOM 467 CG LEU A 29 -3.518 -1.480 -18.419 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.973 -0.858 -19.741 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.611 -2.345 -17.787 1.00 0.00 C ATOM 0 H LEU A 29 0.075 -3.798 -17.645 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.710 -3.252 -16.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.385 -1.586 -18.555 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.228 -2.707 -19.606 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.317 -0.660 -17.730 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.893 -0.296 -19.581 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.199 -0.187 -20.113 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.152 -1.647 -20.472 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.519 -1.754 -17.666 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.817 -3.199 -18.432 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.276 -2.699 -16.812 1.00 0.00 H new ATOM 481 N HIS A 30 -3.122 -5.526 -17.505 1.00 0.00 N ATOM 482 CA HIS A 30 -3.459 -6.873 -17.933 1.00 0.00 C ATOM 483 C HIS A 30 -2.342 -7.836 -17.525 1.00 0.00 C ATOM 484 O HIS A 30 -2.578 -8.791 -16.786 1.00 0.00 O ATOM 485 CB HIS A 30 -3.753 -6.910 -19.434 1.00 0.00 C ATOM 486 CG HIS A 30 -4.819 -7.904 -19.828 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.741 -9.250 -19.515 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.988 -7.735 -20.511 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.819 -9.855 -19.993 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.590 -8.913 -20.610 1.00 0.00 N ATOM 0 H HIS A 30 -3.620 -5.205 -16.675 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.372 -7.198 -17.435 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.061 -5.916 -19.758 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.833 -7.149 -19.968 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.360 -6.801 -20.904 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.047 -10.907 -19.909 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.483 -9.086 -21.072 1.00 0.00 H new ATOM 499 N TYR A 31 -1.148 -7.553 -18.026 1.00 0.00 N ATOM 500 CA TYR A 31 0.007 -8.380 -17.723 1.00 0.00 C ATOM 501 C TYR A 31 1.281 -7.788 -18.327 1.00 0.00 C ATOM 502 O TYR A 31 2.371 -8.326 -18.139 1.00 0.00 O ATOM 503 CB TYR A 31 -0.267 -9.740 -18.370 1.00 0.00 C ATOM 504 CG TYR A 31 0.013 -9.778 -19.875 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.310 -9.892 -20.333 1.00 0.00 C ATOM 506 CD2 TYR A 31 -1.031 -9.698 -20.774 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.573 -9.930 -21.748 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.767 -9.735 -22.189 1.00 0.00 C ATOM 509 CZ TYR A 31 0.522 -9.850 -22.606 1.00 0.00 C ATOM 510 OH TYR A 31 0.770 -9.884 -23.943 1.00 0.00 O ATOM 0 H TYR A 31 -0.956 -6.762 -18.640 1.00 0.00 H new ATOM 0 HA TYR A 31 0.155 -8.451 -16.645 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.345 -10.496 -17.877 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.309 -10.011 -18.197 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.128 -9.953 -19.630 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.046 -9.608 -20.416 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.583 -10.020 -22.119 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.575 -9.673 -22.903 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.075 -9.819 -24.434 1.00 0.00 H new ATOM 520 N LYS A 32 1.102 -6.685 -19.040 1.00 0.00 N ATOM 521 CA LYS A 32 2.223 -6.013 -19.673 1.00 0.00 C ATOM 522 C LYS A 32 2.462 -4.669 -18.983 1.00 0.00 C ATOM 523 O LYS A 32 1.718 -4.290 -18.080 1.00 0.00 O ATOM 524 CB LYS A 32 1.998 -5.897 -21.182 1.00 0.00 C ATOM 525 CG LYS A 32 0.542 -5.540 -21.493 1.00 0.00 C ATOM 526 CD LYS A 32 -0.179 -6.711 -22.163 1.00 0.00 C ATOM 527 CE LYS A 32 -1.696 -6.580 -22.008 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.306 -6.093 -23.265 1.00 0.00 N ATOM 0 H LYS A 32 0.197 -6.240 -19.193 1.00 0.00 H new ATOM 0 HA LYS A 32 3.134 -6.600 -19.555 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.659 -5.135 -21.594 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.257 -6.839 -21.665 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.026 -5.269 -20.572 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.509 -4.667 -22.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.081 -6.746 -23.221 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.156 -7.650 -21.722 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.125 -7.546 -21.739 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.926 -5.892 -21.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.320 -6.325 -23.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.186 -5.062 -23.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.842 -6.550 -24.076 1.00 0.00 H new ATOM 542 N VAL A 33 3.503 -3.984 -19.434 1.00 0.00 N ATOM 543 CA VAL A 33 3.850 -2.690 -18.872 1.00 0.00 C ATOM 544 C VAL A 33 3.798 -1.630 -19.973 1.00 0.00 C ATOM 545 O VAL A 33 4.243 -1.871 -21.095 1.00 0.00 O ATOM 546 CB VAL A 33 5.213 -2.768 -18.181 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.193 -3.793 -17.044 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.320 -3.086 -19.186 1.00 0.00 C ATOM 0 H VAL A 33 4.118 -4.302 -20.183 1.00 0.00 H new ATOM 0 HA VAL A 33 3.129 -2.400 -18.108 1.00 0.00 H new ATOM 0 HB VAL A 33 5.425 -1.791 -17.748 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.174 -3.829 -16.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.444 -3.504 -16.307 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.948 -4.776 -17.445 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.278 -3.136 -18.668 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.115 -4.045 -19.662 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.358 -2.305 -19.945 1.00 0.00 H new ATOM 558 N TYR A 34 3.250 -0.478 -19.615 1.00 0.00 N ATOM 559 CA TYR A 34 3.134 0.622 -20.559 1.00 0.00 C ATOM 560 C TYR A 34 3.785 1.891 -20.005 1.00 0.00 C ATOM 561 O TYR A 34 3.943 2.034 -18.794 1.00 0.00 O ATOM 562 CB TYR A 34 1.635 0.867 -20.739 1.00 0.00 C ATOM 563 CG TYR A 34 0.820 -0.405 -20.983 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.715 -1.360 -19.992 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.192 -0.597 -22.198 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.051 -2.556 -20.224 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.574 -1.794 -22.428 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.658 -2.715 -21.431 1.00 0.00 C ATOM 569 OH TYR A 34 -1.382 -3.845 -21.649 1.00 0.00 O ATOM 0 H TYR A 34 2.881 -0.282 -18.684 1.00 0.00 H new ATOM 0 HA TYR A 34 3.632 0.377 -21.497 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.250 1.368 -19.851 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.487 1.547 -21.578 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.208 -1.210 -19.043 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.275 0.149 -22.974 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.142 -3.311 -19.457 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.072 -1.957 -23.373 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.691 -4.206 -20.792 1.00 0.00 H new ATOM 579 N ASP A 35 4.144 2.779 -20.920 1.00 0.00 N ATOM 580 CA ASP A 35 4.775 4.033 -20.540 1.00 0.00 C ATOM 581 C ASP A 35 3.721 5.140 -20.513 1.00 0.00 C ATOM 582 O ASP A 35 3.543 5.857 -21.497 1.00 0.00 O ATOM 583 CB ASP A 35 5.857 4.432 -21.544 1.00 0.00 C ATOM 584 CG ASP A 35 7.185 4.870 -20.922 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.190 5.096 -19.694 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.166 4.970 -21.691 1.00 0.00 O ATOM 0 H ASP A 35 4.010 2.656 -21.924 1.00 0.00 H new ATOM 0 HA ASP A 35 5.228 3.899 -19.558 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.045 3.588 -22.208 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.476 5.245 -22.162 1.00 0.00 H new ATOM 591 N LEU A 36 3.049 5.248 -19.376 1.00 0.00 N ATOM 592 CA LEU A 36 2.017 6.257 -19.208 1.00 0.00 C ATOM 593 C LEU A 36 2.587 7.628 -19.575 1.00 0.00 C ATOM 594 O LEU A 36 1.846 8.526 -19.972 1.00 0.00 O ATOM 595 CB LEU A 36 1.428 6.192 -17.798 1.00 0.00 C ATOM 596 CG LEU A 36 0.651 4.919 -17.453 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.041 5.052 -16.094 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.334 4.560 -18.566 1.00 0.00 C ATOM 0 H LEU A 36 3.199 4.653 -18.562 1.00 0.00 H new ATOM 0 HA LEU A 36 1.184 6.067 -19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.241 6.303 -17.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.765 7.046 -17.663 1.00 0.00 H new ATOM 0 HG LEU A 36 1.360 4.095 -17.374 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.586 4.135 -15.872 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.707 5.226 -15.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.737 5.890 -16.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.873 3.652 -18.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.043 5.376 -18.701 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.211 4.395 -19.495 1.00 0.00 H new ATOM 610 N THR A 37 3.898 7.747 -19.428 1.00 0.00 N ATOM 611 CA THR A 37 4.576 8.995 -19.739 1.00 0.00 C ATOM 612 C THR A 37 4.241 9.444 -21.161 1.00 0.00 C ATOM 613 O THR A 37 4.372 10.621 -21.492 1.00 0.00 O ATOM 614 CB THR A 37 6.075 8.790 -19.503 1.00 0.00 C ATOM 615 OG1 THR A 37 6.334 9.488 -18.289 1.00 0.00 O ATOM 616 CG2 THR A 37 6.934 9.514 -20.540 1.00 0.00 C ATOM 0 H THR A 37 4.509 7.000 -19.098 1.00 0.00 H new ATOM 0 HA THR A 37 4.237 9.802 -19.089 1.00 0.00 H new ATOM 0 HB THR A 37 6.303 7.724 -19.522 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.536 9.463 -17.721 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.988 9.336 -20.327 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.696 9.139 -21.535 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.731 10.584 -20.498 1.00 0.00 H new ATOM 624 N LYS A 38 3.814 8.482 -21.967 1.00 0.00 N ATOM 625 CA LYS A 38 3.458 8.764 -23.347 1.00 0.00 C ATOM 626 C LYS A 38 1.945 8.968 -23.449 1.00 0.00 C ATOM 627 O LYS A 38 1.469 9.667 -24.340 1.00 0.00 O ATOM 628 CB LYS A 38 3.995 7.669 -24.273 1.00 0.00 C ATOM 629 CG LYS A 38 5.505 7.812 -24.471 1.00 0.00 C ATOM 630 CD LYS A 38 5.993 6.920 -25.615 1.00 0.00 C ATOM 631 CE LYS A 38 5.925 7.657 -26.953 1.00 0.00 C ATOM 632 NZ LYS A 38 4.730 7.232 -27.718 1.00 0.00 N ATOM 0 H LYS A 38 3.707 7.506 -21.690 1.00 0.00 H new ATOM 0 HA LYS A 38 3.927 9.690 -23.679 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.771 6.689 -23.852 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.491 7.724 -25.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.751 8.852 -24.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.023 7.545 -23.550 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.018 6.603 -25.422 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.384 6.017 -25.662 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.891 8.733 -26.781 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.826 7.455 -27.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.862 7.460 -28.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.596 6.206 -27.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.892 7.730 -27.357 1.00 0.00 H new ATOM 646 N PHE A 39 1.233 8.344 -22.521 1.00 0.00 N ATOM 647 CA PHE A 39 -0.215 8.448 -22.495 1.00 0.00 C ATOM 648 C PHE A 39 -0.676 9.409 -21.397 1.00 0.00 C ATOM 649 O PHE A 39 -1.850 9.421 -21.029 1.00 0.00 O ATOM 650 CB PHE A 39 -0.760 7.050 -22.192 1.00 0.00 C ATOM 651 CG PHE A 39 -2.268 6.909 -22.409 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.881 7.610 -23.399 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.995 6.081 -21.611 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.280 7.480 -23.600 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.394 5.949 -21.812 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.007 6.652 -22.802 1.00 0.00 C ATOM 0 H PHE A 39 1.633 7.765 -21.782 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.577 8.828 -23.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.243 6.326 -22.822 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.527 6.797 -21.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.303 8.266 -24.033 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.508 5.524 -20.824 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.767 8.038 -24.386 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.971 5.291 -21.179 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.072 6.553 -22.955 1.00 0.00 H new ATOM 666 N LEU A 40 0.272 10.192 -20.904 1.00 0.00 N ATOM 667 CA LEU A 40 -0.022 11.154 -19.856 1.00 0.00 C ATOM 668 C LEU A 40 -1.004 12.199 -20.389 1.00 0.00 C ATOM 669 O LEU A 40 -2.159 12.244 -19.967 1.00 0.00 O ATOM 670 CB LEU A 40 1.272 11.753 -19.299 1.00 0.00 C ATOM 671 CG LEU A 40 1.868 11.049 -18.079 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.049 11.838 -17.513 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.794 10.786 -17.021 1.00 0.00 C ATOM 0 H LEU A 40 1.245 10.180 -21.211 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.507 10.662 -19.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.019 11.755 -20.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.083 12.794 -19.036 1.00 0.00 H new ATOM 0 HG LEU A 40 2.252 10.080 -18.397 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.454 11.315 -16.646 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.823 11.931 -18.275 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.713 12.831 -17.214 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.243 10.285 -16.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.359 11.733 -16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.014 10.153 -17.444 1.00 0.00 H new ATOM 685 N GLU A 41 -0.508 13.015 -21.309 1.00 0.00 N ATOM 686 CA GLU A 41 -1.328 14.058 -21.904 1.00 0.00 C ATOM 687 C GLU A 41 -2.754 13.547 -22.126 1.00 0.00 C ATOM 688 O GLU A 41 -3.704 14.084 -21.559 1.00 0.00 O ATOM 689 CB GLU A 41 -0.713 14.557 -23.213 1.00 0.00 C ATOM 690 CG GLU A 41 -0.245 16.007 -23.079 1.00 0.00 C ATOM 691 CD GLU A 41 -1.172 16.955 -23.842 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.896 17.179 -25.041 1.00 0.00 O ATOM 693 OE2 GLU A 41 -2.139 17.435 -23.210 1.00 0.00 O ATOM 0 H GLU A 41 0.450 12.975 -21.656 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.368 14.902 -21.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.130 13.923 -23.488 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.446 14.480 -24.016 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.218 16.288 -22.026 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.772 16.101 -23.461 1.00 0.00 H new ATOM 700 N GLU A 42 -2.857 12.520 -22.955 1.00 0.00 N ATOM 701 CA GLU A 42 -4.151 11.933 -23.261 1.00 0.00 C ATOM 702 C GLU A 42 -4.892 11.579 -21.970 1.00 0.00 C ATOM 703 O GLU A 42 -4.430 11.901 -20.876 1.00 0.00 O ATOM 704 CB GLU A 42 -3.998 10.703 -24.159 1.00 0.00 C ATOM 705 CG GLU A 42 -4.837 10.845 -25.430 1.00 0.00 C ATOM 706 CD GLU A 42 -4.387 9.847 -26.498 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.242 10.003 -26.975 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.197 8.950 -26.814 1.00 0.00 O ATOM 0 H GLU A 42 -2.066 12.079 -23.425 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.741 12.669 -23.807 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.949 10.570 -24.424 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.305 9.810 -23.614 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.889 10.683 -25.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.750 11.861 -25.816 1.00 0.00 H new ATOM 715 N HIS A 43 -6.029 10.920 -22.139 1.00 0.00 N ATOM 716 CA HIS A 43 -6.838 10.520 -20.999 1.00 0.00 C ATOM 717 C HIS A 43 -7.766 11.669 -20.599 1.00 0.00 C ATOM 718 O HIS A 43 -7.361 12.829 -20.603 1.00 0.00 O ATOM 719 CB HIS A 43 -5.954 10.042 -19.846 1.00 0.00 C ATOM 720 CG HIS A 43 -6.580 8.962 -18.997 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.407 9.237 -17.923 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.493 7.603 -19.078 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.794 8.089 -17.388 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.226 7.076 -18.105 1.00 0.00 N ATOM 0 H HIS A 43 -6.409 10.653 -23.047 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.465 9.672 -21.274 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.014 9.670 -20.253 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.711 10.894 -19.211 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.674 10.166 -17.598 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.924 7.049 -19.810 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.445 7.974 -16.534 1.00 0.00 H new ATOM 733 N PRO A 44 -9.028 11.295 -20.254 1.00 0.00 N ATOM 734 CA PRO A 44 -10.017 12.280 -19.853 1.00 0.00 C ATOM 735 C PRO A 44 -9.742 12.785 -18.435 1.00 0.00 C ATOM 736 O PRO A 44 -9.797 13.988 -18.179 1.00 0.00 O ATOM 737 CB PRO A 44 -11.354 11.570 -19.981 1.00 0.00 C ATOM 738 CG PRO A 44 -11.037 10.084 -20.002 1.00 0.00 C ATOM 739 CD PRO A 44 -9.543 9.929 -20.238 1.00 0.00 C ATOM 0 HA PRO A 44 -9.996 13.175 -20.475 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.009 11.818 -19.146 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.871 11.872 -20.892 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.325 9.619 -19.059 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.602 9.584 -20.789 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.076 9.339 -19.449 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.341 9.418 -21.180 1.00 0.00 H new ATOM 747 N GLY A 45 -9.453 11.843 -17.551 1.00 0.00 N ATOM 748 CA GLY A 45 -9.169 12.178 -16.165 1.00 0.00 C ATOM 749 C GLY A 45 -7.993 13.151 -16.066 1.00 0.00 C ATOM 750 O GLY A 45 -8.076 14.163 -15.371 1.00 0.00 O ATOM 0 H GLY A 45 -9.409 10.847 -17.767 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.052 12.622 -15.706 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.942 11.270 -15.607 1.00 0.00 H new ATOM 754 N GLY A 46 -6.924 12.812 -16.771 1.00 0.00 N ATOM 755 CA GLY A 46 -5.732 13.643 -16.771 1.00 0.00 C ATOM 756 C GLY A 46 -4.466 12.785 -16.802 1.00 0.00 C ATOM 757 O GLY A 46 -4.502 11.633 -17.232 1.00 0.00 O ATOM 0 H GLY A 46 -6.858 11.973 -17.347 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.747 14.307 -17.635 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.725 14.276 -15.883 1.00 0.00 H new ATOM 761 N GLU A 47 -3.375 13.380 -16.341 1.00 0.00 N ATOM 762 CA GLU A 47 -2.098 12.684 -16.309 1.00 0.00 C ATOM 763 C GLU A 47 -1.992 11.829 -15.047 1.00 0.00 C ATOM 764 O GLU A 47 -1.591 10.668 -15.111 1.00 0.00 O ATOM 765 CB GLU A 47 -0.935 13.672 -16.403 1.00 0.00 C ATOM 766 CG GLU A 47 -0.853 14.293 -17.801 1.00 0.00 C ATOM 767 CD GLU A 47 -1.463 15.695 -17.812 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.097 16.482 -16.912 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.281 15.951 -18.723 1.00 0.00 O ATOM 0 H GLU A 47 -3.348 14.336 -15.987 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.042 12.025 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.060 14.458 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.000 13.161 -16.173 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.188 14.342 -18.121 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.376 13.659 -18.516 1.00 0.00 H new ATOM 776 N GLU A 48 -2.358 12.435 -13.926 1.00 0.00 N ATOM 777 CA GLU A 48 -2.308 11.743 -12.649 1.00 0.00 C ATOM 778 C GLU A 48 -3.006 10.384 -12.754 1.00 0.00 C ATOM 779 O GLU A 48 -2.473 9.372 -12.303 1.00 0.00 O ATOM 780 CB GLU A 48 -2.927 12.593 -11.539 1.00 0.00 C ATOM 781 CG GLU A 48 -1.938 12.799 -10.390 1.00 0.00 C ATOM 782 CD GLU A 48 -1.990 14.239 -9.874 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.998 15.149 -10.730 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.019 14.396 -8.634 1.00 0.00 O ATOM 0 H GLU A 48 -2.690 13.398 -13.876 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.263 11.574 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.229 13.560 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.829 12.108 -11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.169 12.109 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.928 12.566 -10.728 1.00 0.00 H new ATOM 791 N VAL A 49 -4.188 10.408 -13.352 1.00 0.00 N ATOM 792 CA VAL A 49 -4.965 9.191 -13.522 1.00 0.00 C ATOM 793 C VAL A 49 -4.035 8.051 -13.943 1.00 0.00 C ATOM 794 O VAL A 49 -4.321 6.884 -13.684 1.00 0.00 O ATOM 795 CB VAL A 49 -6.103 9.432 -14.516 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.560 9.631 -15.933 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.118 8.288 -14.473 1.00 0.00 C ATOM 0 H VAL A 49 -4.627 11.250 -13.725 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.430 8.900 -12.580 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.617 10.348 -14.223 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.389 9.800 -16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.893 10.493 -15.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.010 8.741 -16.240 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.917 8.483 -15.188 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.622 7.352 -14.729 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.539 8.213 -13.471 1.00 0.00 H new ATOM 807 N LEU A 50 -2.940 8.432 -14.585 1.00 0.00 N ATOM 808 CA LEU A 50 -1.965 7.455 -15.043 1.00 0.00 C ATOM 809 C LEU A 50 -0.721 7.527 -14.156 1.00 0.00 C ATOM 810 O LEU A 50 -0.153 6.499 -13.792 1.00 0.00 O ATOM 811 CB LEU A 50 -1.671 7.651 -16.532 1.00 0.00 C ATOM 812 CG LEU A 50 -2.889 7.673 -17.458 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.006 9.019 -18.178 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.854 6.500 -18.439 1.00 0.00 C ATOM 0 H LEU A 50 -2.706 9.402 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.364 6.445 -14.950 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.129 8.589 -16.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.005 6.852 -16.859 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.784 7.555 -16.847 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.880 9.008 -18.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.111 9.817 -17.443 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.110 9.192 -18.775 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.731 6.540 -19.085 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.952 6.561 -19.048 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.854 5.562 -17.884 1.00 0.00 H new ATOM 826 N ARG A 51 -0.333 8.753 -13.835 1.00 0.00 N ATOM 827 CA ARG A 51 0.835 8.974 -12.998 1.00 0.00 C ATOM 828 C ARG A 51 0.590 8.423 -11.591 1.00 0.00 C ATOM 829 O ARG A 51 1.429 7.708 -11.046 1.00 0.00 O ATOM 830 CB ARG A 51 1.172 10.463 -12.906 1.00 0.00 C ATOM 831 CG ARG A 51 2.675 10.672 -12.699 1.00 0.00 C ATOM 832 CD ARG A 51 2.940 11.673 -11.573 1.00 0.00 C ATOM 833 NE ARG A 51 3.486 12.930 -12.132 1.00 0.00 N ATOM 834 CZ ARG A 51 4.163 13.838 -11.414 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.382 13.634 -10.109 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.622 14.950 -12.005 1.00 0.00 N ATOM 0 H ARG A 51 -0.807 9.604 -14.139 1.00 0.00 H new ATOM 0 HA ARG A 51 1.676 8.452 -13.455 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.853 10.969 -13.817 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.621 10.914 -12.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.149 9.719 -12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.126 11.032 -13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.016 11.877 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.643 11.249 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 51 3.338 13.117 -13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.034 12.787 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.897 14.325 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.456 15.105 -12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.137 15.642 -11.460 1.00 0.00 H new ATOM 850 N GLU A 52 -0.563 8.779 -11.044 1.00 0.00 N ATOM 851 CA GLU A 52 -0.928 8.331 -9.711 1.00 0.00 C ATOM 852 C GLU A 52 -0.917 6.802 -9.644 1.00 0.00 C ATOM 853 O GLU A 52 -0.874 6.225 -8.558 1.00 0.00 O ATOM 854 CB GLU A 52 -2.292 8.889 -9.300 1.00 0.00 C ATOM 855 CG GLU A 52 -2.159 9.844 -8.112 1.00 0.00 C ATOM 856 CD GLU A 52 -1.999 9.070 -6.802 1.00 0.00 C ATOM 857 OE1 GLU A 52 -0.885 8.542 -6.588 1.00 0.00 O ATOM 858 OE2 GLU A 52 -2.991 9.023 -6.044 1.00 0.00 O ATOM 0 H GLU A 52 -1.256 9.372 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.190 8.711 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.744 9.412 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.961 8.069 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.299 10.497 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.039 10.484 -8.055 1.00 0.00 H new ATOM 865 N GLN A 53 -0.958 6.190 -10.818 1.00 0.00 N ATOM 866 CA GLN A 53 -0.954 4.739 -10.907 1.00 0.00 C ATOM 867 C GLN A 53 0.429 4.237 -11.325 1.00 0.00 C ATOM 868 O GLN A 53 0.824 3.127 -10.973 1.00 0.00 O ATOM 869 CB GLN A 53 -2.033 4.245 -11.871 1.00 0.00 C ATOM 870 CG GLN A 53 -1.747 4.715 -13.300 1.00 0.00 C ATOM 871 CD GLN A 53 -2.668 4.016 -14.302 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.380 2.941 -14.802 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.787 4.682 -14.564 1.00 0.00 N ATOM 0 H GLN A 53 -0.994 6.672 -11.716 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.183 4.333 -9.922 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.079 3.156 -11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.008 4.613 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.884 5.794 -13.366 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.707 4.510 -13.553 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.966 5.578 -14.110 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.468 4.298 -15.219 1.00 0.00 H new ATOM 882 N ALA A 54 1.129 5.080 -12.072 1.00 0.00 N ATOM 883 CA ALA A 54 2.459 4.736 -12.544 1.00 0.00 C ATOM 884 C ALA A 54 3.327 4.328 -11.352 1.00 0.00 C ATOM 885 O ALA A 54 3.384 5.038 -10.348 1.00 0.00 O ATOM 886 CB ALA A 54 3.048 5.917 -13.317 1.00 0.00 C ATOM 0 H ALA A 54 0.799 6.001 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 54 2.417 3.888 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.046 5.659 -13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.409 6.149 -14.169 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.109 6.786 -12.662 1.00 0.00 H new ATOM 892 N GLY A 55 3.984 3.187 -11.501 1.00 0.00 N ATOM 893 CA GLY A 55 4.848 2.676 -10.450 1.00 0.00 C ATOM 894 C GLY A 55 4.341 1.329 -9.930 1.00 0.00 C ATOM 895 O GLY A 55 4.707 0.905 -8.836 1.00 0.00 O ATOM 0 H GLY A 55 3.935 2.601 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.863 2.564 -10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.893 3.393 -9.630 1.00 0.00 H new ATOM 899 N GLY A 56 3.506 0.695 -10.741 1.00 0.00 N ATOM 900 CA GLY A 56 2.946 -0.595 -10.377 1.00 0.00 C ATOM 901 C GLY A 56 1.777 -0.963 -11.293 1.00 0.00 C ATOM 902 O GLY A 56 1.477 -0.242 -12.243 1.00 0.00 O ATOM 0 H GLY A 56 3.204 1.051 -11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.718 -1.362 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.607 -0.569 -9.341 1.00 0.00 H new ATOM 906 N ASP A 57 1.148 -2.086 -10.974 1.00 0.00 N ATOM 907 CA ASP A 57 0.019 -2.558 -11.757 1.00 0.00 C ATOM 908 C ASP A 57 -1.196 -1.669 -11.481 1.00 0.00 C ATOM 909 O ASP A 57 -1.558 -1.450 -10.326 1.00 0.00 O ATOM 910 CB ASP A 57 -0.350 -3.995 -11.379 1.00 0.00 C ATOM 911 CG ASP A 57 -1.849 -4.299 -11.383 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.497 -3.948 -12.394 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.313 -4.874 -10.376 1.00 0.00 O ATOM 0 H ASP A 57 1.399 -2.681 -10.185 1.00 0.00 H new ATOM 0 HA ASP A 57 0.300 -2.522 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.145 -4.676 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.046 -4.207 -10.386 1.00 0.00 H new ATOM 918 N ALA A 58 -1.790 -1.184 -12.560 1.00 0.00 N ATOM 919 CA ALA A 58 -2.956 -0.324 -12.448 1.00 0.00 C ATOM 920 C ALA A 58 -4.185 -1.067 -12.976 1.00 0.00 C ATOM 921 O ALA A 58 -5.318 -0.681 -12.691 1.00 0.00 O ATOM 922 CB ALA A 58 -2.700 0.985 -13.199 1.00 0.00 C ATOM 0 H ALA A 58 -1.487 -1.370 -13.516 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.146 -0.070 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.575 1.630 -13.115 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.835 1.489 -12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.508 0.770 -14.250 1.00 0.00 H new ATOM 928 N THR A 59 -3.920 -2.120 -13.735 1.00 0.00 N ATOM 929 CA THR A 59 -4.990 -2.921 -14.306 1.00 0.00 C ATOM 930 C THR A 59 -6.061 -3.207 -13.251 1.00 0.00 C ATOM 931 O THR A 59 -7.252 -3.057 -13.515 1.00 0.00 O ATOM 932 CB THR A 59 -4.369 -4.186 -14.900 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.096 -4.397 -16.107 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.664 -5.432 -14.064 1.00 0.00 C ATOM 0 H THR A 59 -2.979 -2.437 -13.968 1.00 0.00 H new ATOM 0 HA THR A 59 -5.501 -2.387 -15.107 1.00 0.00 H new ATOM 0 HB THR A 59 -3.290 -4.054 -14.986 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.406 -5.326 -16.144 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.200 -6.301 -14.530 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.261 -5.300 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.742 -5.584 -14.005 1.00 0.00 H new ATOM 942 N GLU A 60 -5.597 -3.614 -12.079 1.00 0.00 N ATOM 943 CA GLU A 60 -6.500 -3.923 -10.984 1.00 0.00 C ATOM 944 C GLU A 60 -7.546 -2.817 -10.830 1.00 0.00 C ATOM 945 O GLU A 60 -8.702 -3.091 -10.509 1.00 0.00 O ATOM 946 CB GLU A 60 -5.730 -4.131 -9.680 1.00 0.00 C ATOM 947 CG GLU A 60 -4.683 -3.034 -9.479 1.00 0.00 C ATOM 948 CD GLU A 60 -5.107 -2.069 -8.369 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.135 -1.385 -8.574 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.396 -2.036 -7.342 1.00 0.00 O ATOM 0 H GLU A 60 -4.608 -3.737 -11.864 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.015 -4.855 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.425 -4.134 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.242 -5.106 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.723 -3.484 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.543 -2.485 -10.410 1.00 0.00 H new ATOM 957 N ASN A 61 -7.105 -1.590 -11.069 1.00 0.00 N ATOM 958 CA ASN A 61 -7.988 -0.443 -10.961 1.00 0.00 C ATOM 959 C ASN A 61 -8.633 -0.172 -12.321 1.00 0.00 C ATOM 960 O ASN A 61 -9.853 -0.050 -12.420 1.00 0.00 O ATOM 961 CB ASN A 61 -7.215 0.811 -10.546 1.00 0.00 C ATOM 962 CG ASN A 61 -7.898 1.512 -9.370 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.988 2.050 -9.483 1.00 0.00 O ATOM 964 ND2 ASN A 61 -7.200 1.479 -8.240 1.00 0.00 N ATOM 0 H ASN A 61 -6.147 -1.366 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.742 -0.668 -10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.196 0.540 -10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.145 1.496 -11.391 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.570 1.921 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.294 1.012 -8.214 1.00 0.00 H new ATOM 971 N PHE A 62 -7.786 -0.086 -13.335 1.00 0.00 N ATOM 972 CA PHE A 62 -8.257 0.169 -14.686 1.00 0.00 C ATOM 973 C PHE A 62 -9.388 -0.792 -15.061 1.00 0.00 C ATOM 974 O PHE A 62 -10.166 -0.515 -15.974 1.00 0.00 O ATOM 975 CB PHE A 62 -7.073 -0.065 -15.625 1.00 0.00 C ATOM 976 CG PHE A 62 -7.413 -0.905 -16.860 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.591 -2.247 -16.739 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.538 -0.307 -18.074 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.906 -3.027 -17.884 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.853 -1.087 -19.220 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.032 -2.430 -19.100 1.00 0.00 C ATOM 0 H PHE A 62 -6.775 -0.188 -13.249 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.640 1.187 -14.761 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.685 0.900 -15.951 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.275 -0.559 -15.071 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.493 -2.720 -15.773 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.398 0.760 -18.168 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.045 -4.094 -17.789 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.950 -0.613 -20.186 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.274 -3.022 -19.970 1.00 0.00 H new ATOM 991 N GLU A 63 -9.444 -1.901 -14.339 1.00 0.00 N ATOM 992 CA GLU A 63 -10.467 -2.904 -14.584 1.00 0.00 C ATOM 993 C GLU A 63 -11.745 -2.554 -13.820 1.00 0.00 C ATOM 994 O GLU A 63 -12.850 -2.759 -14.324 1.00 0.00 O ATOM 995 CB GLU A 63 -9.967 -4.300 -14.209 1.00 0.00 C ATOM 996 CG GLU A 63 -9.471 -5.055 -15.445 1.00 0.00 C ATOM 997 CD GLU A 63 -10.394 -6.229 -15.777 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.355 -5.996 -16.541 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.118 -7.332 -15.259 1.00 0.00 O ATOM 0 H GLU A 63 -8.797 -2.128 -13.584 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.695 -2.911 -15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.160 -4.218 -13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.770 -4.862 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.421 -4.375 -16.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.459 -5.421 -15.270 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.554 -2.035 -12.617 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.680 -1.657 -11.778 1.00 0.00 C ATOM 1008 C ASP A 64 -13.427 -0.491 -12.430 1.00 0.00 C ATOM 1009 O ASP A 64 -14.610 -0.284 -12.166 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.207 -1.201 -10.396 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.021 -1.748 -9.221 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.846 -2.653 -9.476 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.800 -1.250 -8.097 1.00 0.00 O ATOM 0 H ASP A 64 -10.637 -1.867 -12.202 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.328 -2.527 -11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.167 -1.499 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.233 -0.112 -10.361 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.705 0.237 -13.268 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.286 1.377 -13.959 1.00 0.00 C ATOM 1020 C VAL A 65 -13.826 0.924 -15.316 1.00 0.00 C ATOM 1021 O VAL A 65 -14.257 1.745 -16.123 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.253 2.502 -14.072 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.942 2.113 -13.385 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.014 2.880 -15.535 1.00 0.00 C ATOM 0 H VAL A 65 -11.724 0.061 -13.485 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.126 1.780 -13.393 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.652 3.378 -13.560 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.226 2.929 -13.480 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.129 1.915 -12.330 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.536 1.217 -13.856 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.277 3.681 -15.588 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.646 2.011 -16.080 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.949 3.218 -15.981 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.784 -0.384 -15.526 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.266 -0.958 -16.771 1.00 0.00 C ATOM 1036 C GLY A 66 -13.913 -0.060 -17.960 1.00 0.00 C ATOM 1037 O GLY A 66 -14.783 0.604 -18.521 1.00 0.00 O ATOM 0 H GLY A 66 -13.424 -1.062 -14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.828 -1.946 -16.914 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.346 -1.092 -16.720 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.635 -0.072 -18.309 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.156 0.733 -19.420 1.00 0.00 C ATOM 1043 C HIS A 67 -12.776 0.227 -20.724 1.00 0.00 C ATOM 1044 O HIS A 67 -13.577 -0.706 -20.714 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.626 0.750 -19.460 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.001 1.794 -18.566 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.840 1.617 -17.204 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.498 3.028 -18.856 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.266 2.701 -16.705 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.054 3.576 -17.731 1.00 0.00 N ATOM 0 H HIS A 67 -11.917 -0.626 -17.842 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.470 1.768 -19.285 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.254 -0.232 -19.169 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.301 0.923 -20.486 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.117 0.791 -16.673 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.466 3.483 -19.835 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.010 2.864 -15.668 1.00 0.00 H new ATOM 1059 N SER A 68 -12.382 0.866 -21.816 1.00 0.00 N ATOM 1060 CA SER A 68 -12.890 0.493 -23.125 1.00 0.00 C ATOM 1061 C SER A 68 -11.813 -0.259 -23.911 1.00 0.00 C ATOM 1062 O SER A 68 -10.623 0.005 -23.746 1.00 0.00 O ATOM 1063 CB SER A 68 -13.354 1.723 -23.907 1.00 0.00 C ATOM 1064 OG SER A 68 -12.305 2.286 -24.691 1.00 0.00 O ATOM 0 H SER A 68 -11.717 1.639 -21.821 1.00 0.00 H new ATOM 0 HA SER A 68 -13.751 -0.161 -22.983 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.184 1.447 -24.557 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.730 2.474 -23.212 1.00 0.00 H new ATOM 0 HG SER A 68 -12.050 3.156 -24.319 1.00 0.00 H new ATOM 1070 N THR A 69 -12.269 -1.180 -24.745 1.00 0.00 N ATOM 1071 CA THR A 69 -11.359 -1.971 -25.555 1.00 0.00 C ATOM 1072 C THR A 69 -10.394 -1.062 -26.319 1.00 0.00 C ATOM 1073 O THR A 69 -9.247 -1.432 -26.560 1.00 0.00 O ATOM 1074 CB THR A 69 -12.197 -2.869 -26.468 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.154 -1.984 -27.042 1.00 0.00 O ATOM 1076 CG2 THR A 69 -13.043 -3.874 -25.684 1.00 0.00 C ATOM 0 H THR A 69 -13.257 -1.397 -24.878 1.00 0.00 H new ATOM 0 HA THR A 69 -10.731 -2.609 -24.933 1.00 0.00 H new ATOM 0 HB THR A 69 -11.540 -3.404 -27.153 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.738 -2.484 -27.650 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.618 -4.486 -26.379 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.390 -4.514 -25.091 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.724 -3.339 -25.023 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.896 0.113 -26.675 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.093 1.078 -27.404 1.00 0.00 C ATOM 1086 C ASP A 70 -8.956 1.573 -26.507 1.00 0.00 C ATOM 1087 O ASP A 70 -7.819 1.709 -26.957 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.929 2.290 -27.818 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.180 3.349 -28.630 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.581 2.958 -29.654 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.221 4.523 -28.206 1.00 0.00 O ATOM 0 H ASP A 70 -11.848 0.417 -26.472 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.704 0.586 -28.295 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.781 1.942 -28.402 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.329 2.760 -26.920 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.302 1.827 -25.254 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.327 2.304 -24.290 1.00 0.00 C ATOM 1098 C ALA A 71 -7.208 1.269 -24.148 1.00 0.00 C ATOM 1099 O ALA A 71 -6.030 1.619 -24.145 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.024 2.596 -22.959 1.00 0.00 C ATOM 0 H ALA A 71 -10.245 1.711 -24.884 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.874 3.235 -24.631 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.292 2.954 -22.236 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.789 3.358 -23.108 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.489 1.684 -22.584 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.619 0.014 -24.035 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.666 -1.075 -23.892 1.00 0.00 C ATOM 1108 C ARG A 72 -5.804 -1.193 -25.150 1.00 0.00 C ATOM 1109 O ARG A 72 -4.590 -1.360 -25.061 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.383 -2.405 -23.648 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.468 -2.255 -22.579 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.256 -3.555 -22.410 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.700 -3.259 -22.290 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.605 -4.116 -21.797 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.218 -5.328 -21.375 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.895 -3.762 -21.725 1.00 0.00 N ATOM 0 H ARG A 72 -8.598 -0.273 -24.040 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.034 -0.852 -23.033 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.830 -2.757 -24.578 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.661 -3.159 -23.335 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.011 -1.976 -21.629 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.146 -1.448 -22.855 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.080 -4.210 -23.263 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.910 -4.087 -21.524 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.028 -2.345 -22.602 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.236 -5.597 -21.429 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.906 -5.981 -21.000 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.189 -2.840 -22.046 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.583 -4.415 -21.350 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.466 -1.099 -26.294 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.776 -1.193 -27.570 1.00 0.00 C ATOM 1132 C GLU A 73 -4.792 -0.030 -27.727 1.00 0.00 C ATOM 1133 O GLU A 73 -3.662 -0.224 -28.171 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.771 -1.231 -28.731 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.927 -2.654 -29.273 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.944 -2.698 -30.413 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.779 -1.891 -31.353 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.866 -3.536 -30.320 1.00 0.00 O ATOM 0 H GLU A 73 -7.474 -0.959 -26.364 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.213 -2.126 -27.589 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.739 -0.857 -28.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.431 -0.570 -29.528 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.963 -3.020 -29.627 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.246 -3.320 -28.471 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.260 1.153 -27.355 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.437 2.347 -27.450 1.00 0.00 C ATOM 1147 C LEU A 74 -3.162 2.148 -26.627 1.00 0.00 C ATOM 1148 O LEU A 74 -2.075 2.525 -27.061 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.242 3.585 -27.049 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.823 4.262 -25.742 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.726 5.299 -25.989 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.033 4.866 -25.026 1.00 0.00 C ATOM 0 H LEU A 74 -6.198 1.310 -26.987 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.128 2.517 -28.481 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.171 4.317 -27.854 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.291 3.301 -26.968 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.404 3.502 -25.082 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.447 5.765 -25.044 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.854 4.810 -26.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.094 6.062 -26.675 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.708 5.341 -24.100 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.503 5.609 -25.670 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.751 4.078 -24.797 1.00 0.00 H new ATOM 1164 N SER A 75 -3.340 1.556 -25.454 1.00 0.00 N ATOM 1165 CA SER A 75 -2.217 1.304 -24.568 1.00 0.00 C ATOM 1166 C SER A 75 -1.154 0.473 -25.290 1.00 0.00 C ATOM 1167 O SER A 75 0.039 0.621 -25.031 1.00 0.00 O ATOM 1168 CB SER A 75 -2.672 0.590 -23.292 1.00 0.00 C ATOM 1169 OG SER A 75 -4.091 0.556 -23.179 1.00 0.00 O ATOM 0 H SER A 75 -4.244 1.244 -25.098 1.00 0.00 H new ATOM 0 HA SER A 75 -1.786 2.264 -24.283 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.283 -0.428 -23.288 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.251 1.096 -22.423 1.00 0.00 H new ATOM 0 HG SER A 75 -4.467 1.391 -23.529 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.628 -0.386 -26.182 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.734 -1.242 -26.944 1.00 0.00 C ATOM 1177 C LYS A 76 0.240 -0.372 -27.742 1.00 0.00 C ATOM 1178 O LYS A 76 1.293 -0.846 -28.168 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.535 -2.219 -27.807 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.770 -1.648 -29.208 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.732 -2.182 -30.198 1.00 0.00 C ATOM 1182 CE LYS A 76 -0.921 -1.558 -31.582 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.009 -2.244 -32.315 1.00 0.00 N ATOM 0 H LYS A 76 -2.618 -0.507 -26.394 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.135 -1.860 -26.275 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.001 -3.166 -27.881 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.493 -2.430 -27.331 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.772 -1.911 -29.549 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.720 -0.560 -29.174 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.271 -1.964 -29.831 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.817 -3.266 -30.270 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.154 -0.498 -31.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.008 -1.627 -32.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.124 -1.808 -33.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.771 -3.250 -32.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.897 -2.156 -31.781 1.00 0.00 H new ATOM 1197 N THR A 77 -0.146 0.882 -27.919 1.00 0.00 N ATOM 1198 CA THR A 77 0.681 1.821 -28.659 1.00 0.00 C ATOM 1199 C THR A 77 1.733 2.444 -27.738 1.00 0.00 C ATOM 1200 O THR A 77 2.750 2.954 -28.208 1.00 0.00 O ATOM 1201 CB THR A 77 -0.242 2.853 -29.310 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.524 3.370 -30.393 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.487 4.068 -28.413 1.00 0.00 C ATOM 0 H THR A 77 -1.020 1.270 -27.563 1.00 0.00 H new ATOM 0 HA THR A 77 1.240 1.319 -29.449 1.00 0.00 H new ATOM 0 HB THR A 77 -1.195 2.384 -29.554 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.000 4.046 -30.871 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.148 4.769 -28.923 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.950 3.745 -27.481 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.463 4.557 -28.196 1.00 0.00 H new ATOM 1211 N PHE A 78 1.456 2.379 -26.445 1.00 0.00 N ATOM 1212 CA PHE A 78 2.366 2.929 -25.456 1.00 0.00 C ATOM 1213 C PHE A 78 3.113 1.815 -24.719 1.00 0.00 C ATOM 1214 O PHE A 78 3.990 2.089 -23.899 1.00 0.00 O ATOM 1215 CB PHE A 78 1.516 3.708 -24.450 1.00 0.00 C ATOM 1216 CG PHE A 78 0.966 5.030 -24.992 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.808 5.936 -25.557 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.364 5.297 -24.910 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.298 7.162 -26.060 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.874 6.523 -25.412 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.032 7.430 -25.977 1.00 0.00 C ATOM 0 H PHE A 78 0.613 1.953 -26.059 1.00 0.00 H new ATOM 0 HA PHE A 78 3.105 3.565 -25.943 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.682 3.082 -24.133 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.116 3.912 -23.564 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.865 5.723 -25.623 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.033 4.576 -24.463 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.967 7.882 -26.509 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.931 6.736 -25.345 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.420 8.362 -26.359 1.00 0.00 H new ATOM 1231 N ILE A 79 2.738 0.585 -25.036 1.00 0.00 N ATOM 1232 CA ILE A 79 3.362 -0.570 -24.414 1.00 0.00 C ATOM 1233 C ILE A 79 4.878 -0.489 -24.601 1.00 0.00 C ATOM 1234 O ILE A 79 5.362 -0.317 -25.719 1.00 0.00 O ATOM 1235 CB ILE A 79 2.747 -1.865 -24.950 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.550 -2.294 -24.098 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.799 -2.970 -25.059 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.242 -3.780 -24.296 1.00 0.00 C ATOM 0 H ILE A 79 2.010 0.363 -25.715 1.00 0.00 H new ATOM 0 HA ILE A 79 3.172 -0.572 -23.341 1.00 0.00 H new ATOM 0 HB ILE A 79 2.376 -1.676 -25.957 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.759 -2.099 -23.046 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.677 -1.699 -24.365 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.334 -3.878 -25.442 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.591 -2.653 -25.738 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.223 -3.167 -24.074 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.388 -4.060 -23.680 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.010 -3.967 -25.344 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.109 -4.373 -24.005 1.00 0.00 H new ATOM 1250 N ILE A 80 5.588 -0.616 -23.489 1.00 0.00 N ATOM 1251 CA ILE A 80 7.039 -0.557 -23.516 1.00 0.00 C ATOM 1252 C ILE A 80 7.605 -1.961 -23.288 1.00 0.00 C ATOM 1253 O ILE A 80 8.667 -2.299 -23.810 1.00 0.00 O ATOM 1254 CB ILE A 80 7.553 0.482 -22.519 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.553 0.690 -21.380 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.898 1.795 -23.224 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.187 1.476 -20.230 1.00 0.00 C ATOM 0 H ILE A 80 5.184 -0.760 -22.563 1.00 0.00 H new ATOM 0 HA ILE A 80 7.389 -0.225 -24.494 1.00 0.00 H new ATOM 0 HB ILE A 80 8.474 0.103 -22.075 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.679 1.224 -21.752 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.205 -0.277 -21.016 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.261 2.517 -22.492 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.672 1.615 -23.970 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.008 2.191 -23.713 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.455 1.610 -19.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.046 0.927 -19.844 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.512 2.451 -20.592 1.00 0.00 H new ATOM 1269 N GLY A 81 6.872 -2.742 -22.508 1.00 0.00 N ATOM 1270 CA GLY A 81 7.287 -4.100 -22.204 1.00 0.00 C ATOM 1271 C GLY A 81 6.164 -4.876 -21.516 1.00 0.00 C ATOM 1272 O GLY A 81 4.985 -4.622 -21.764 1.00 0.00 O ATOM 0 H GLY A 81 5.992 -2.459 -22.077 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.576 -4.610 -23.123 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.167 -4.080 -21.561 1.00 0.00 H new ATOM 1276 N GLU A 82 6.566 -5.807 -20.663 1.00 0.00 N ATOM 1277 CA GLU A 82 5.607 -6.621 -19.936 1.00 0.00 C ATOM 1278 C GLU A 82 6.189 -7.051 -18.589 1.00 0.00 C ATOM 1279 O GLU A 82 7.401 -6.994 -18.385 1.00 0.00 O ATOM 1280 CB GLU A 82 5.183 -7.838 -20.763 1.00 0.00 C ATOM 1281 CG GLU A 82 5.289 -7.546 -22.260 1.00 0.00 C ATOM 1282 CD GLU A 82 4.828 -8.748 -23.087 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.424 -9.830 -22.898 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.889 -8.558 -23.891 1.00 0.00 O ATOM 0 H GLU A 82 7.543 -6.016 -20.459 1.00 0.00 H new ATOM 0 HA GLU A 82 4.717 -6.020 -19.750 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.812 -8.691 -20.510 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.158 -8.112 -20.514 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.682 -6.675 -22.508 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.320 -7.299 -22.514 1.00 0.00 H new ATOM 1291 N LEU A 83 5.299 -7.473 -17.702 1.00 0.00 N ATOM 1292 CA LEU A 83 5.709 -7.912 -16.379 1.00 0.00 C ATOM 1293 C LEU A 83 6.373 -9.286 -16.487 1.00 0.00 C ATOM 1294 O LEU A 83 5.766 -10.237 -16.977 1.00 0.00 O ATOM 1295 CB LEU A 83 4.524 -7.874 -15.412 1.00 0.00 C ATOM 1296 CG LEU A 83 4.875 -7.830 -13.923 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.350 -8.170 -13.697 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.499 -6.478 -13.312 1.00 0.00 C ATOM 0 H LEU A 83 4.295 -7.520 -17.874 1.00 0.00 H new ATOM 0 HA LEU A 83 6.451 -7.231 -15.963 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.916 -7.001 -15.648 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.904 -8.752 -15.593 1.00 0.00 H new ATOM 0 HG LEU A 83 4.287 -8.591 -13.410 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.573 -8.132 -12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.554 -9.172 -14.075 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.975 -7.449 -14.224 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.759 -6.472 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.043 -5.684 -13.823 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.427 -6.314 -13.424 1.00 0.00 H new ATOM 1310 N HIS A 84 7.611 -9.348 -16.019 1.00 0.00 N ATOM 1311 CA HIS A 84 8.365 -10.589 -16.055 1.00 0.00 C ATOM 1312 C HIS A 84 7.802 -11.561 -15.018 1.00 0.00 C ATOM 1313 O HIS A 84 6.792 -11.276 -14.377 1.00 0.00 O ATOM 1314 CB HIS A 84 9.860 -10.323 -15.869 1.00 0.00 C ATOM 1315 CG HIS A 84 10.729 -10.909 -16.956 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.258 -11.173 -18.231 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.042 -11.278 -16.947 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.251 -11.678 -18.947 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.356 -11.743 -18.149 1.00 0.00 N ATOM 0 H HIS A 84 8.111 -8.557 -15.612 1.00 0.00 H new ATOM 0 HA HIS A 84 8.258 -11.055 -17.035 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.024 -9.246 -15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.174 -10.730 -14.908 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.713 -11.204 -16.104 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.196 -11.985 -19.981 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.272 -12.092 -18.430 1.00 0.00 H new ATOM 1328 N PRO A 85 8.498 -12.722 -14.880 1.00 0.00 N ATOM 1329 CA PRO A 85 8.078 -13.738 -13.931 1.00 0.00 C ATOM 1330 C PRO A 85 8.418 -13.325 -12.497 1.00 0.00 C ATOM 1331 O PRO A 85 8.288 -14.122 -11.569 1.00 0.00 O ATOM 1332 CB PRO A 85 8.795 -15.005 -14.369 1.00 0.00 C ATOM 1333 CG PRO A 85 9.942 -14.549 -15.255 1.00 0.00 C ATOM 1334 CD PRO A 85 9.699 -13.095 -15.622 1.00 0.00 C ATOM 0 HA PRO A 85 6.998 -13.887 -13.926 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.164 -15.562 -13.508 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.121 -15.667 -14.912 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.893 -14.657 -14.734 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.999 -15.165 -16.153 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.547 -12.469 -15.344 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.554 -12.976 -16.696 1.00 0.00 H new ATOM 1342 N ASP A 86 8.847 -12.078 -12.362 1.00 0.00 N ATOM 1343 CA ASP A 86 9.206 -11.548 -11.057 1.00 0.00 C ATOM 1344 C ASP A 86 7.933 -11.161 -10.301 1.00 0.00 C ATOM 1345 O ASP A 86 7.916 -11.151 -9.071 1.00 0.00 O ATOM 1346 CB ASP A 86 10.075 -10.297 -11.191 1.00 0.00 C ATOM 1347 CG ASP A 86 9.804 -9.206 -10.153 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.427 -9.285 -9.071 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.980 -8.319 -10.463 1.00 0.00 O ATOM 0 H ASP A 86 8.954 -11.420 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 86 9.762 -12.318 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.122 -10.591 -11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.928 -9.876 -12.185 1.00 0.00 H new ATOM 1354 N ASP A 87 6.898 -10.850 -11.067 1.00 0.00 N ATOM 1355 CA ASP A 87 5.625 -10.463 -10.485 1.00 0.00 C ATOM 1356 C ASP A 87 4.513 -10.670 -11.516 1.00 0.00 C ATOM 1357 O ASP A 87 3.652 -9.809 -11.688 1.00 0.00 O ATOM 1358 CB ASP A 87 5.628 -8.986 -10.086 1.00 0.00 C ATOM 1359 CG ASP A 87 5.985 -8.714 -8.622 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.064 -8.813 -7.785 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.173 -8.413 -8.375 1.00 0.00 O ATOM 0 H ASP A 87 6.915 -10.858 -12.087 1.00 0.00 H new ATOM 0 HA ASP A 87 5.460 -11.077 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.336 -8.454 -10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.642 -8.568 -10.288 1.00 0.00 H new ATOM 1366 N ARG A 88 4.569 -11.818 -12.176 1.00 0.00 N ATOM 1367 CA ARG A 88 3.577 -12.149 -13.186 1.00 0.00 C ATOM 1368 C ARG A 88 2.401 -12.891 -12.551 1.00 0.00 C ATOM 1369 O ARG A 88 1.311 -12.335 -12.414 1.00 0.00 O ATOM 1370 CB ARG A 88 4.185 -13.018 -14.290 1.00 0.00 C ATOM 1371 CG ARG A 88 4.404 -12.207 -15.568 1.00 0.00 C ATOM 1372 CD ARG A 88 5.348 -12.937 -16.525 1.00 0.00 C ATOM 1373 NE ARG A 88 4.674 -13.168 -17.822 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.248 -13.780 -18.869 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.508 -14.225 -18.776 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.560 -13.946 -20.007 1.00 0.00 N ATOM 0 H ARG A 88 5.285 -12.530 -12.031 1.00 0.00 H new ATOM 0 HA ARG A 88 3.226 -11.215 -13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.135 -13.432 -13.950 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.526 -13.861 -14.498 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.447 -12.030 -16.059 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.818 -11.231 -15.317 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.253 -12.348 -16.676 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.655 -13.888 -16.091 1.00 0.00 H new ATOM 0 HE ARG A 88 3.713 -12.842 -17.927 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.031 -14.099 -17.909 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.945 -14.690 -19.572 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.600 -13.607 -20.077 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.996 -14.411 -20.803 1.00 0.00 H new ATOM 1390 N SER A 89 2.659 -14.137 -12.180 1.00 0.00 N ATOM 1391 CA SER A 89 1.634 -14.961 -11.562 1.00 0.00 C ATOM 1392 C SER A 89 1.298 -14.423 -10.170 1.00 0.00 C ATOM 1393 O SER A 89 1.116 -15.195 -9.229 1.00 0.00 O ATOM 1394 CB SER A 89 2.081 -16.422 -11.472 1.00 0.00 C ATOM 1395 OG SER A 89 0.977 -17.320 -11.478 1.00 0.00 O ATOM 0 H SER A 89 3.563 -14.596 -12.296 1.00 0.00 H new ATOM 0 HA SER A 89 0.741 -14.920 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.739 -16.652 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.662 -16.568 -10.561 1.00 0.00 H new ATOM 0 HG SER A 89 1.305 -18.242 -11.421 1.00 0.00 H new ATOM 1401 N LYS A 90 1.225 -13.103 -10.082 1.00 0.00 N ATOM 1402 CA LYS A 90 0.915 -12.453 -8.821 1.00 0.00 C ATOM 1403 C LYS A 90 -0.003 -11.256 -9.081 1.00 0.00 C ATOM 1404 O LYS A 90 -0.893 -10.967 -8.284 1.00 0.00 O ATOM 1405 CB LYS A 90 2.199 -12.092 -8.073 1.00 0.00 C ATOM 1406 CG LYS A 90 2.344 -12.924 -6.797 1.00 0.00 C ATOM 1407 CD LYS A 90 3.562 -12.481 -5.987 1.00 0.00 C ATOM 1408 CE LYS A 90 3.553 -13.109 -4.592 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.931 -13.218 -4.063 1.00 0.00 N ATOM 0 H LYS A 90 1.375 -12.466 -10.864 1.00 0.00 H new ATOM 0 HA LYS A 90 0.373 -13.134 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.060 -12.259 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.191 -11.032 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.444 -12.825 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.439 -13.979 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.474 -12.765 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.569 -11.394 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.946 -12.504 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.094 -14.097 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.906 -13.646 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.500 -13.814 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.356 -12.271 -4.004 1.00 0.00 H new ATOM 1423 N ILE A 91 0.248 -10.593 -10.200 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.543 -9.433 -10.577 1.00 0.00 C ATOM 1425 C ILE A 91 -1.120 -9.647 -11.977 1.00 0.00 C ATOM 1426 O ILE A 91 -2.220 -9.186 -12.276 1.00 0.00 O ATOM 1427 CB ILE A 91 0.284 -8.153 -10.440 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.759 -7.660 -11.808 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.447 -8.352 -9.466 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.870 -6.618 -11.659 1.00 0.00 C ATOM 0 H ILE A 91 0.988 -10.837 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.388 -9.312 -9.900 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.355 -7.376 -10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.122 -8.503 -12.396 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.079 -7.228 -12.354 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.018 -7.427 -9.387 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.057 -8.622 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.095 -9.149 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.190 -6.284 -12.646 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.496 -5.766 -11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.716 -7.061 -11.134 1.00 0.00 H new ATOM 1442 N THR A 92 -0.350 -10.345 -12.799 1.00 0.00 N ATOM 1443 CA THR A 92 -0.771 -10.625 -14.162 1.00 0.00 C ATOM 1444 C THR A 92 -2.257 -10.986 -14.198 1.00 0.00 C ATOM 1445 O THR A 92 -2.967 -10.613 -15.129 1.00 0.00 O ATOM 1446 CB THR A 92 0.136 -11.726 -14.719 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.098 -11.689 -16.123 1.00 0.00 O ATOM 1448 CG2 THR A 92 -0.319 -13.126 -14.303 1.00 0.00 C ATOM 0 H THR A 92 0.563 -10.725 -12.548 1.00 0.00 H new ATOM 0 HA THR A 92 -0.668 -9.745 -14.797 1.00 0.00 H new ATOM 0 HB THR A 92 1.158 -11.561 -14.379 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.451 -12.370 -16.564 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.358 -13.869 -14.724 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.311 -13.203 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.329 -13.305 -14.672 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.682 -11.709 -13.171 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.072 -12.123 -13.073 1.00 0.00 C ATOM 1458 C LYS A 93 -4.703 -11.490 -11.834 1.00 0.00 C ATOM 1459 O LYS A 93 -4.305 -11.786 -10.709 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.179 -13.649 -13.105 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.417 -14.097 -13.883 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.965 -15.414 -13.333 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.208 -15.175 -12.472 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.157 -16.005 -11.248 1.00 0.00 N ATOM 0 H LYS A 93 -2.089 -12.018 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.636 -11.767 -13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.285 -14.070 -13.564 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.226 -14.035 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.186 -13.327 -13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.165 -14.216 -14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.213 -16.082 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.198 -15.912 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.273 -14.121 -12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.105 -15.414 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.007 -15.831 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.117 -17.010 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.311 -15.758 -10.696 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.704 -10.604 -12.087 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.395 -9.925 -11.004 1.00 0.00 C ATOM 1480 C PRO A 94 -7.365 -10.870 -10.294 1.00 0.00 C ATOM 1481 O PRO A 94 -7.492 -12.034 -10.673 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.091 -8.744 -11.661 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.150 -9.067 -13.145 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.204 -10.228 -13.406 1.00 0.00 C ATOM 0 HA PRO A 94 -5.717 -9.586 -10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.092 -8.604 -11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.542 -7.819 -11.484 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.166 -9.329 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.861 -8.198 -13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.721 -11.060 -13.885 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.390 -9.934 -14.069 1.00 0.00 H new ATOM 1492 N SER A 95 -8.025 -10.336 -9.277 1.00 0.00 N ATOM 1493 CA SER A 95 -8.980 -11.119 -8.509 1.00 0.00 C ATOM 1494 C SER A 95 -10.352 -10.443 -8.539 1.00 0.00 C ATOM 1495 O SER A 95 -10.495 -9.343 -9.068 1.00 0.00 O ATOM 1496 CB SER A 95 -8.508 -11.302 -7.066 1.00 0.00 C ATOM 1497 OG SER A 95 -7.886 -12.568 -6.865 1.00 0.00 O ATOM 0 H SER A 95 -7.918 -9.370 -8.966 1.00 0.00 H new ATOM 0 HA SER A 95 -9.059 -12.107 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.806 -10.508 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.358 -11.204 -6.391 1.00 0.00 H new ATOM 0 HG SER A 95 -7.597 -12.646 -5.932 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.327 -11.131 -7.961 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.682 -10.611 -7.913 1.00 0.00 C ATOM 1505 C GLU A 96 -12.747 -9.378 -7.008 1.00 0.00 C ATOM 1506 O GLU A 96 -11.799 -9.088 -6.283 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.665 -11.685 -7.444 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.364 -12.118 -6.008 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.032 -13.455 -5.686 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -13.527 -14.480 -6.192 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.035 -13.424 -4.941 1.00 0.00 O ATOM 0 H GLU A 96 -11.204 -12.044 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.971 -10.314 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.684 -11.302 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.609 -12.548 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.286 -12.203 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.716 -11.355 -5.313 1.00 0.00 H new ATOM 1518 N SER A 97 -13.875 -8.686 -7.084 1.00 0.00 N ATOM 1519 CA SER A 97 -14.075 -7.493 -6.281 1.00 0.00 C ATOM 1520 C SER A 97 -14.504 -7.880 -4.865 1.00 0.00 C ATOM 1521 O SER A 97 -14.864 -9.028 -4.614 1.00 0.00 O ATOM 1522 CB SER A 97 -15.117 -6.571 -6.918 1.00 0.00 C ATOM 1523 OG SER A 97 -14.520 -5.614 -7.791 1.00 0.00 O ATOM 0 H SER A 97 -14.659 -8.929 -7.689 1.00 0.00 H new ATOM 0 HA SER A 97 -13.130 -6.951 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.839 -7.169 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.670 -6.052 -6.135 1.00 0.00 H new ATOM 0 HG SER A 97 -15.217 -5.045 -8.179 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.451 -6.899 -3.975 1.00 0.00 N ATOM 1530 CA ILE A 98 -14.830 -7.123 -2.591 1.00 0.00 C ATOM 1531 C ILE A 98 -16.317 -6.805 -2.415 1.00 0.00 C ATOM 1532 O ILE A 98 -16.843 -5.906 -3.069 1.00 0.00 O ATOM 1533 CB ILE A 98 -13.917 -6.332 -1.651 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -13.570 -7.152 -0.406 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -14.536 -4.980 -1.293 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -12.058 -7.188 -0.178 1.00 0.00 C ATOM 0 H ILE A 98 -14.151 -5.947 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.694 -8.171 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 98 -12.982 -6.129 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.063 -6.722 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.949 -8.168 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.867 -4.439 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.689 -4.398 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.494 -5.138 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.838 -7.777 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.570 -7.640 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.686 -6.172 -0.042 1.00 0.00 H new ATOM 1548 N ILE A 99 -16.949 -7.561 -1.530 1.00 0.00 N ATOM 1549 CA ILE A 99 -18.364 -7.370 -1.259 1.00 0.00 C ATOM 1550 C ILE A 99 -18.591 -5.956 -0.720 1.00 0.00 C ATOM 1551 O ILE A 99 -17.648 -5.176 -0.597 1.00 0.00 O ATOM 1552 CB ILE A 99 -18.886 -8.470 -0.335 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -18.213 -8.400 1.037 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -18.728 -9.850 -0.980 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.134 -8.947 2.129 1.00 0.00 C ATOM 0 H ILE A 99 -16.508 -8.307 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 99 -18.942 -7.457 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.952 -8.306 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -17.285 -8.971 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.948 -7.367 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.107 -10.614 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.290 -9.882 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.674 -10.037 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.631 -8.885 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.051 -8.359 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.377 -9.987 1.912 1.00 0.00 H new ATOM 1567 N THR A 100 -19.847 -5.667 -0.414 1.00 0.00 N ATOM 1568 CA THR A 100 -20.210 -4.362 0.109 1.00 0.00 C ATOM 1569 C THR A 100 -20.585 -4.465 1.588 1.00 0.00 C ATOM 1570 O THR A 100 -20.501 -5.540 2.181 1.00 0.00 O ATOM 1571 CB THR A 100 -21.332 -3.797 -0.765 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.353 -4.788 -0.701 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.951 -3.748 -2.246 1.00 0.00 C ATOM 0 H THR A 100 -20.627 -6.316 -0.519 1.00 0.00 H new ATOM 0 HA THR A 100 -19.368 -3.672 0.068 1.00 0.00 H new ATOM 0 HB THR A 100 -21.590 -2.794 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 100 -23.120 -4.502 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 100 -21.781 -3.339 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 100 -20.073 -3.115 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.726 -4.755 -2.597 1.00 0.00 H new ATOM 1581 N THR A 101 -20.994 -3.332 2.142 1.00 0.00 N ATOM 1582 CA THR A 101 -21.383 -3.282 3.541 1.00 0.00 C ATOM 1583 C THR A 101 -22.900 -3.127 3.668 1.00 0.00 C ATOM 1584 O THR A 101 -23.565 -2.712 2.721 1.00 0.00 O ATOM 1585 CB THR A 101 -20.599 -2.152 4.210 1.00 0.00 C ATOM 1586 OG1 THR A 101 -19.254 -2.623 4.224 1.00 0.00 O ATOM 1587 CG2 THR A 101 -20.951 -1.988 5.690 1.00 0.00 C ATOM 0 H THR A 101 -21.064 -2.443 1.647 1.00 0.00 H new ATOM 0 HA THR A 101 -21.139 -4.213 4.052 1.00 0.00 H new ATOM 0 HB THR A 101 -20.794 -1.217 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 101 -18.676 -1.950 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 101 -20.366 -1.173 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 101 -22.013 -1.762 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 101 -20.726 -2.912 6.222 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.401 -3.469 4.845 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.827 -3.372 5.107 1.00 0.00 C ATOM 1597 C ILE A 102 -25.334 -2.003 4.654 1.00 0.00 C ATOM 1598 O ILE A 102 -24.545 -1.144 4.261 1.00 0.00 O ATOM 1599 CB ILE A 102 -25.124 -3.681 6.577 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -24.448 -2.664 7.498 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -24.732 -5.120 6.925 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -25.194 -2.548 8.828 1.00 0.00 C ATOM 0 H ILE A 102 -22.846 -3.814 5.628 1.00 0.00 H new ATOM 0 HA ILE A 102 -25.371 -4.120 4.530 1.00 0.00 H new ATOM 0 HB ILE A 102 -26.199 -3.593 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -23.416 -2.963 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -24.416 -1.690 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -24.953 -5.314 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -25.298 -5.812 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -23.666 -5.260 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -24.693 -1.819 9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -26.219 -2.225 8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -25.203 -3.518 9.326 1.00 0.00 H new ATOM 1614 N ASP A 103 -26.647 -1.840 4.721 1.00 0.00 N ATOM 1615 CA ASP A 103 -27.268 -0.588 4.320 1.00 0.00 C ATOM 1616 C ASP A 103 -27.962 0.041 5.530 1.00 0.00 C ATOM 1617 O ASP A 103 -27.756 1.216 5.827 1.00 0.00 O ATOM 1618 CB ASP A 103 -28.323 -0.820 3.237 1.00 0.00 C ATOM 1619 CG ASP A 103 -27.866 -0.507 1.812 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -26.875 0.244 1.685 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -28.518 -1.025 0.879 1.00 0.00 O ATOM 0 H ASP A 103 -27.299 -2.554 5.047 1.00 0.00 H new ATOM 0 HA ASP A 103 -26.489 0.067 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -28.643 -1.861 3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -29.196 -0.209 3.465 1.00 0.00 H new ATOM 1626 N SER A 104 -28.771 -0.770 6.196 1.00 0.00 N ATOM 1627 CA SER A 104 -29.496 -0.308 7.366 1.00 0.00 C ATOM 1628 C SER A 104 -30.425 0.847 6.984 1.00 0.00 C ATOM 1629 O SER A 104 -30.934 0.893 5.865 1.00 0.00 O ATOM 1630 CB SER A 104 -28.534 0.130 8.474 1.00 0.00 C ATOM 1631 OG SER A 104 -29.201 0.848 9.508 1.00 0.00 O ATOM 0 H SER A 104 -28.940 -1.745 5.947 1.00 0.00 H new ATOM 0 HA SER A 104 -30.093 -1.137 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 104 -28.047 -0.748 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 104 -27.750 0.755 8.047 1.00 0.00 H new ATOM 0 HG SER A 104 -28.553 1.108 10.196 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.194 5.097 -17.630 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.847 6.864 -18.778 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.076 4.670 -20.855 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.648 3.139 -16.469 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.168 5.686 -14.406 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.851 5.646 -19.427 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.012 6.292 -19.731 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.200 6.350 -21.194 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.099 5.799 -21.793 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.256 5.374 -20.698 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.812 5.652 -23.286 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.432 6.883 -21.896 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.609 5.930 -21.758 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.196 4.475 -21.858 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.801 4.040 -22.955 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.303 3.745 -20.855 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.683 4.145 -18.466 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.343 4.083 -19.828 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.150 3.277 -20.036 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.789 2.793 -18.794 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.719 3.364 -17.846 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.521 2.951 -21.391 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.890 1.758 -18.443 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.591 1.541 -18.844 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.544 4.530 -15.833 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.489 3.675 -15.539 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.357 3.429 -14.088 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.362 4.156 -13.513 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.069 4.856 -14.593 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.301 2.495 -13.444 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.682 4.250 -12.153 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.702 4.378 -11.181 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.720 6.046 -16.758 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.952 6.239 -15.390 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.080 7.104 -15.167 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.512 7.466 -16.388 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.711 6.767 -17.387 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.701 7.495 -13.834 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.565 8.503 -16.692 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.918 7.850 -16.825 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.637 8.282 -18.081 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.883 8.251 -18.080 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.958 8.669 -19.064 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.752 5.551 -23.829 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.199 4.766 -23.453 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.280 6.534 -23.643 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.298 2.922 -22.155 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.027 1.981 -21.339 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.789 3.717 -21.646 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.057 1.690 -14.137 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.703 2.072 -12.523 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.400 3.065 -13.218 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.564 6.685 -13.117 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.766 7.683 -13.970 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.218 8.397 -13.458 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.041 0.679 -18.467 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.113 2.231 -19.539 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.983 4.449 -10.130 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.651 4.408 -11.468 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.343 6.150 -22.534 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.099 6.100 -20.799 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.211 7.039 -22.952 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.698 7.854 -21.479 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.527 8.098 -15.956 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.798 6.767 -16.831 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.314 9.027 -17.614 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.590 9.249 -15.898 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.683 7.440 -19.146 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.691 4.567 -21.859 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.864 2.488 -16.112 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.432 5.920 -13.385 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.287 1.018 -17.748 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.729 4.222 -11.851 1.00 0.00 H new