USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot 55:sc= 0.934 USER MOD Set 1.2: A 78 THR OG1 : rot -63:sc= 0.796 USER MOD Set 1.3: A 104 HEC O2D : rot 141:sc= 1.82 USER MOD Set 2.1: A 48 TYR OH : rot -101:sc= 0.0395 USER MOD Set 2.2: A 104 HEC O2A : rot -138:sc= -3.88! USER MOD Set 3.1: A 19 THR OG1 : rot 4:sc= -0.999! USER MOD Set 3.2: A 31 ASN : amide:sc= -3.62! C(o=-4.6!,f=-3.2!) USER MOD Set 4.1: A -5 THR N :NH3+ -125:sc= 0.853 (180deg=0) USER MOD Set 4.2: A -5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 62 ASN : amide:sc= -1.97 K(o=-1.1,f=-6.4!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -26:sc= -22.2! USER MOD Single : A 16 GLN : amide:sc= -0.93 K(o=-0.93,f=-4.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.96 X(o=-2,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-4.3!) USER MOD Single : A 39 HIS : no HD1:sc= -2.97 X(o=-3,f=-3.4!) USER MOD Single : A 40 SER OG : rot 24:sc= -0.231 USER MOD Single : A 42 GLN : amide:sc= -5.72! C(o=-5.7!,f=-6.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00846 USER MOD Single : A 52 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= 0.999 (180deg=-0.0633) USER MOD Single : A 56 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.0172 K(o=0.017,f=-7.6!) USER MOD Single : A 64 MET CE :methyl -162:sc= -11.9! (180deg=-14.6!) USER MOD Single : A 65 SER OG : rot -51:sc= 1.19 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.98! C(o=-3!,f=-5!) USER MOD Single : A 73 LYS NZ :NH3+ 125:sc= -0.13 (180deg=-0.751) USER MOD Single : A 74 TYR OH : rot 110:sc= -1.74! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.355 (180deg=-0.835) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -4.91! C(o=-4.9!,f=-4.5!) USER MOD Single : A 96 THR OG1 : rot -150:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -110:sc= 0.0259 (180deg=-0.104) USER MOD Single : A 102 SER OG : rot -63:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 10.169 -12.166 -4.655 1.00 0.00 N ATOM 2 CA THR A -5 10.214 -12.391 -6.090 1.00 0.00 C ATOM 3 C THR A -5 9.742 -13.808 -6.422 1.00 0.00 C ATOM 4 O THR A -5 10.497 -14.604 -6.977 1.00 0.00 O ATOM 5 CB THR A -5 11.636 -12.097 -6.570 1.00 0.00 C ATOM 6 OG1 THR A -5 11.760 -10.683 -6.444 1.00 0.00 O ATOM 7 CG2 THR A -5 11.813 -12.354 -8.068 1.00 0.00 C ATOM 0 H1 THR A -5 9.595 -11.322 -4.454 1.00 0.00 H new ATOM 0 H2 THR A -5 9.745 -12.993 -4.187 1.00 0.00 H new ATOM 0 H3 THR A -5 11.134 -12.022 -4.296 1.00 0.00 H new ATOM 0 HA THR A -5 9.533 -11.723 -6.617 1.00 0.00 H new ATOM 0 HB THR A -5 12.342 -12.711 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A -5 12.654 -10.406 -6.733 1.00 0.00 H new ATOM 0 HG21 THR A -5 12.840 -12.130 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A -5 11.595 -13.399 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A -5 11.131 -11.716 -8.630 1.00 0.00 H new ATOM 15 N GLU A -4 8.494 -14.080 -6.067 1.00 0.00 N ATOM 16 CA GLU A -4 7.912 -15.387 -6.320 1.00 0.00 C ATOM 17 C GLU A -4 6.451 -15.414 -5.867 1.00 0.00 C ATOM 18 O GLU A -4 5.553 -15.669 -6.669 1.00 0.00 O ATOM 19 CB GLU A -4 8.720 -16.489 -5.633 1.00 0.00 C ATOM 20 CG GLU A -4 8.446 -17.851 -6.275 1.00 0.00 C ATOM 21 CD GLU A -4 9.722 -18.694 -6.337 1.00 0.00 C ATOM 22 OE1 GLU A -4 10.795 -18.085 -6.537 1.00 0.00 O ATOM 23 OE2 GLU A -4 9.594 -19.928 -6.183 1.00 0.00 O ATOM 0 H GLU A -4 7.870 -13.417 -5.606 1.00 0.00 H new ATOM 0 HA GLU A -4 7.942 -15.575 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A -4 9.784 -16.260 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A -4 8.466 -16.525 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.684 -18.380 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A -4 8.050 -17.710 -7.281 1.00 0.00 H new ATOM 30 N PHE A -3 6.257 -15.146 -4.584 1.00 0.00 N ATOM 31 CA PHE A -3 4.921 -15.136 -4.015 1.00 0.00 C ATOM 32 C PHE A -3 4.218 -16.476 -4.243 1.00 0.00 C ATOM 33 O PHE A -3 3.909 -16.833 -5.379 1.00 0.00 O ATOM 34 CB PHE A -3 4.137 -14.034 -4.731 1.00 0.00 C ATOM 35 CG PHE A -3 2.620 -14.224 -4.693 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.920 -13.885 -3.577 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.971 -14.732 -5.775 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.511 -14.062 -3.542 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.562 -14.908 -5.739 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.138 -14.569 -4.624 1.00 0.00 C ATOM 0 H PHE A -3 7.004 -14.934 -3.922 1.00 0.00 H new ATOM 0 HA PHE A -3 4.976 -14.963 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.384 -13.074 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.461 -13.989 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.435 -13.481 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.527 -15.001 -6.661 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.045 -13.794 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.046 -15.311 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.209 -14.702 -4.598 1.00 0.00 H new ATOM 50 N LYS A -2 3.985 -17.181 -3.146 1.00 0.00 N ATOM 51 CA LYS A -2 3.324 -18.473 -3.212 1.00 0.00 C ATOM 52 C LYS A -2 1.832 -18.293 -2.929 1.00 0.00 C ATOM 53 O LYS A -2 1.426 -18.166 -1.775 1.00 0.00 O ATOM 54 CB LYS A -2 4.010 -19.474 -2.281 1.00 0.00 C ATOM 55 CG LYS A -2 4.462 -18.797 -0.985 1.00 0.00 C ATOM 56 CD LYS A -2 4.858 -19.835 0.067 1.00 0.00 C ATOM 57 CE LYS A -2 3.631 -20.594 0.577 1.00 0.00 C ATOM 58 NZ LYS A -2 3.432 -20.346 2.022 1.00 0.00 N ATOM 0 H LYS A -2 4.242 -16.882 -2.206 1.00 0.00 H new ATOM 0 HA LYS A -2 3.410 -18.894 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.325 -20.289 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A -2 4.871 -19.914 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A -2 5.308 -18.140 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.658 -18.171 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.573 -20.538 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A -2 5.357 -19.341 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A -2 2.746 -20.281 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A -2 3.757 -21.662 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.595 -20.868 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 4.270 -20.667 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.291 -19.328 2.183 1.00 0.00 H new ATOM 72 N ALA A -1 1.055 -18.288 -4.003 1.00 0.00 N ATOM 73 CA ALA A -1 -0.384 -18.126 -3.884 1.00 0.00 C ATOM 74 C ALA A -1 -0.887 -18.931 -2.685 1.00 0.00 C ATOM 75 O ALA A -1 -0.245 -19.893 -2.265 1.00 0.00 O ATOM 76 CB ALA A -1 -1.055 -18.548 -5.193 1.00 0.00 C ATOM 0 H ALA A -1 1.395 -18.393 -4.959 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.639 -17.081 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.135 -18.427 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.686 -17.926 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.823 -19.593 -5.400 1.00 0.00 H new ATOM 82 N GLY A 1 -2.031 -18.509 -2.167 1.00 0.00 N ATOM 83 CA GLY A 1 -2.628 -19.180 -1.024 1.00 0.00 C ATOM 84 C GLY A 1 -4.085 -19.551 -1.305 1.00 0.00 C ATOM 85 O GLY A 1 -4.359 -20.434 -2.117 1.00 0.00 O ATOM 0 H GLY A 1 -2.561 -17.711 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.059 -20.079 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.576 -18.531 -0.149 1.00 0.00 H new ATOM 89 N SER A 2 -4.982 -18.859 -0.618 1.00 0.00 N ATOM 90 CA SER A 2 -6.404 -19.104 -0.784 1.00 0.00 C ATOM 91 C SER A 2 -7.209 -17.984 -0.123 1.00 0.00 C ATOM 92 O SER A 2 -6.738 -17.349 0.820 1.00 0.00 O ATOM 93 CB SER A 2 -6.801 -20.461 -0.197 1.00 0.00 C ATOM 94 OG SER A 2 -8.172 -20.495 0.189 1.00 0.00 O ATOM 0 H SER A 2 -4.751 -18.128 0.055 1.00 0.00 H new ATOM 0 HA SER A 2 -6.626 -19.121 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.612 -21.243 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.175 -20.679 0.668 1.00 0.00 H new ATOM 0 HG SER A 2 -8.386 -21.378 0.557 1.00 0.00 H new ATOM 100 N ALA A 3 -8.410 -17.775 -0.643 1.00 0.00 N ATOM 101 CA ALA A 3 -9.285 -16.742 -0.115 1.00 0.00 C ATOM 102 C ALA A 3 -9.456 -16.946 1.392 1.00 0.00 C ATOM 103 O ALA A 3 -8.950 -17.918 1.952 1.00 0.00 O ATOM 104 CB ALA A 3 -10.619 -16.772 -0.863 1.00 0.00 C ATOM 0 H ALA A 3 -8.798 -18.304 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.849 -15.755 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.276 -15.997 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.445 -16.593 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.088 -17.747 -0.731 1.00 0.00 H new ATOM 110 N LYS A 4 -10.171 -16.014 2.005 1.00 0.00 N ATOM 111 CA LYS A 4 -10.415 -16.080 3.436 1.00 0.00 C ATOM 112 C LYS A 4 -9.082 -16.235 4.170 1.00 0.00 C ATOM 113 O LYS A 4 -8.734 -17.330 4.608 1.00 0.00 O ATOM 114 CB LYS A 4 -11.425 -17.183 3.757 1.00 0.00 C ATOM 115 CG LYS A 4 -12.605 -16.629 4.559 1.00 0.00 C ATOM 116 CD LYS A 4 -13.003 -17.589 5.682 1.00 0.00 C ATOM 117 CE LYS A 4 -14.020 -16.939 6.624 1.00 0.00 C ATOM 118 NZ LYS A 4 -15.395 -17.357 6.270 1.00 0.00 N ATOM 0 H LYS A 4 -10.589 -15.210 1.537 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.867 -15.153 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.788 -17.630 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.936 -17.976 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.339 -15.660 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.455 -16.466 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.426 -18.498 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.117 -17.884 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.802 -17.220 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.937 -15.854 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.072 -16.907 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.606 -17.067 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.475 -18.391 6.349 1.00 0.00 H new ATOM 132 N LYS A 5 -8.371 -15.122 4.282 1.00 0.00 N ATOM 133 CA LYS A 5 -7.084 -15.120 4.956 1.00 0.00 C ATOM 134 C LYS A 5 -6.559 -13.685 5.039 1.00 0.00 C ATOM 135 O LYS A 5 -6.042 -13.269 6.075 1.00 0.00 O ATOM 136 CB LYS A 5 -6.119 -16.089 4.269 1.00 0.00 C ATOM 137 CG LYS A 5 -5.965 -17.377 5.081 1.00 0.00 C ATOM 138 CD LYS A 5 -6.047 -18.608 4.177 1.00 0.00 C ATOM 139 CE LYS A 5 -6.422 -19.855 4.981 1.00 0.00 C ATOM 140 NZ LYS A 5 -5.274 -20.310 5.797 1.00 0.00 N ATOM 0 H LYS A 5 -8.662 -14.215 3.917 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.189 -15.481 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.486 -16.326 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.146 -15.613 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.009 -17.369 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.744 -17.427 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.786 -18.440 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.089 -18.765 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.272 -19.636 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.733 -20.651 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.545 -21.157 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.474 -20.538 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.995 -19.555 6.456 1.00 0.00 H new ATOM 154 N GLY A 6 -6.709 -12.969 3.935 1.00 0.00 N ATOM 155 CA GLY A 6 -6.256 -11.590 3.870 1.00 0.00 C ATOM 156 C GLY A 6 -7.367 -10.628 4.297 1.00 0.00 C ATOM 157 O GLY A 6 -7.103 -9.624 4.958 1.00 0.00 O ATOM 0 H GLY A 6 -7.138 -13.318 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.388 -11.458 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.937 -11.355 2.854 1.00 0.00 H new ATOM 161 N ALA A 7 -8.585 -10.968 3.902 1.00 0.00 N ATOM 162 CA ALA A 7 -9.736 -10.146 4.236 1.00 0.00 C ATOM 163 C ALA A 7 -9.613 -9.666 5.683 1.00 0.00 C ATOM 164 O ALA A 7 -9.413 -8.478 5.932 1.00 0.00 O ATOM 165 CB ALA A 7 -11.020 -10.944 3.994 1.00 0.00 C ATOM 0 H ALA A 7 -8.800 -11.801 3.354 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.775 -9.263 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.884 -10.328 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.074 -11.236 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.017 -11.836 4.620 1.00 0.00 H new ATOM 171 N THR A 8 -9.736 -10.614 6.600 1.00 0.00 N ATOM 172 CA THR A 8 -9.640 -10.303 8.016 1.00 0.00 C ATOM 173 C THR A 8 -8.348 -9.538 8.308 1.00 0.00 C ATOM 174 O THR A 8 -8.292 -8.739 9.241 1.00 0.00 O ATOM 175 CB THR A 8 -9.760 -11.613 8.797 1.00 0.00 C ATOM 176 OG1 THR A 8 -11.005 -11.497 9.481 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.726 -11.722 9.920 1.00 0.00 C ATOM 0 H THR A 8 -9.901 -11.598 6.390 1.00 0.00 H new ATOM 0 HA THR A 8 -10.449 -9.644 8.332 1.00 0.00 H new ATOM 0 HB THR A 8 -9.644 -12.455 8.114 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.163 -12.306 10.011 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.855 -12.670 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.723 -11.675 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.863 -10.899 10.622 1.00 0.00 H new ATOM 185 N LEU A 9 -7.340 -9.809 7.492 1.00 0.00 N ATOM 186 CA LEU A 9 -6.052 -9.156 7.650 1.00 0.00 C ATOM 187 C LEU A 9 -6.198 -7.666 7.335 1.00 0.00 C ATOM 188 O LEU A 9 -6.226 -6.836 8.242 1.00 0.00 O ATOM 189 CB LEU A 9 -4.986 -9.861 6.808 1.00 0.00 C ATOM 190 CG LEU A 9 -3.584 -9.924 7.417 1.00 0.00 C ATOM 191 CD1 LEU A 9 -3.009 -11.339 7.324 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.660 -8.887 6.775 1.00 0.00 C ATOM 0 H LEU A 9 -7.389 -10.472 6.719 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.711 -9.232 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.321 -10.879 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.920 -9.356 5.844 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.660 -9.676 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.012 -11.356 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.656 -12.031 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.949 -11.639 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.670 -8.953 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.585 -9.080 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.066 -7.888 6.936 1.00 0.00 H new ATOM 204 N PHE A 10 -6.287 -7.372 6.046 1.00 0.00 N ATOM 205 CA PHE A 10 -6.430 -5.997 5.600 1.00 0.00 C ATOM 206 C PHE A 10 -7.363 -5.214 6.526 1.00 0.00 C ATOM 207 O PHE A 10 -7.072 -4.075 6.889 1.00 0.00 O ATOM 208 CB PHE A 10 -7.042 -6.042 4.199 1.00 0.00 C ATOM 209 CG PHE A 10 -7.190 -4.669 3.540 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.096 -4.033 3.041 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.415 -4.085 3.452 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.233 -2.759 2.429 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.552 -2.811 2.840 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.459 -2.175 2.342 1.00 0.00 C ATOM 0 H PHE A 10 -6.263 -8.063 5.296 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.459 -5.502 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.422 -6.674 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.023 -6.513 4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.123 -4.497 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.284 -4.590 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.365 -2.254 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.525 -2.347 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.564 -1.206 1.877 1.00 0.00 H new ATOM 224 N LYS A 11 -8.466 -5.856 6.883 1.00 0.00 N ATOM 225 CA LYS A 11 -9.444 -5.234 7.760 1.00 0.00 C ATOM 226 C LYS A 11 -8.715 -4.459 8.859 1.00 0.00 C ATOM 227 O LYS A 11 -9.151 -3.378 9.254 1.00 0.00 O ATOM 228 CB LYS A 11 -10.427 -6.279 8.292 1.00 0.00 C ATOM 229 CG LYS A 11 -11.859 -5.741 8.278 1.00 0.00 C ATOM 230 CD LYS A 11 -12.795 -6.653 9.073 1.00 0.00 C ATOM 231 CE LYS A 11 -13.436 -7.705 8.166 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.952 -8.837 8.969 1.00 0.00 N ATOM 0 H LYS A 11 -8.704 -6.801 6.581 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.048 -4.514 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.368 -7.182 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.150 -6.560 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.878 -4.737 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.211 -5.660 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.238 -7.146 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.573 -6.056 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.249 -7.255 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.703 -8.067 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.384 -9.542 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.169 -9.276 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.666 -8.489 9.640 1.00 0.00 H new ATOM 246 N THR A 12 -7.619 -5.041 9.323 1.00 0.00 N ATOM 247 CA THR A 12 -6.826 -4.418 10.369 1.00 0.00 C ATOM 248 C THR A 12 -5.372 -4.267 9.919 1.00 0.00 C ATOM 249 O THR A 12 -4.888 -5.047 9.101 1.00 0.00 O ATOM 250 CB THR A 12 -6.985 -5.252 11.642 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.555 -6.555 11.259 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.450 -5.443 12.039 1.00 0.00 C ATOM 0 H THR A 12 -7.261 -5.938 8.994 1.00 0.00 H new ATOM 0 HA THR A 12 -7.174 -3.407 10.580 1.00 0.00 H new ATOM 0 HB THR A 12 -6.448 -4.771 12.460 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.624 -7.161 12.026 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.506 -6.042 12.948 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.909 -4.470 12.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.981 -5.953 11.236 1.00 0.00 H new ATOM 260 N ARG A 13 -4.716 -3.257 10.472 1.00 0.00 N ATOM 261 CA ARG A 13 -3.327 -2.994 10.137 1.00 0.00 C ATOM 262 C ARG A 13 -3.229 -2.338 8.758 1.00 0.00 C ATOM 263 O ARG A 13 -2.147 -2.263 8.178 1.00 0.00 O ATOM 264 CB ARG A 13 -2.506 -4.285 10.140 1.00 0.00 C ATOM 265 CG ARG A 13 -2.823 -5.134 11.372 1.00 0.00 C ATOM 266 CD ARG A 13 -1.862 -4.815 12.519 1.00 0.00 C ATOM 267 NE ARG A 13 -1.677 -6.011 13.371 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.670 -6.164 14.242 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.249 -5.199 14.381 1.00 0.00 N ATOM 270 NH2 ARG A 13 -0.581 -7.284 14.973 1.00 0.00 N ATOM 0 H ARG A 13 -5.121 -2.611 11.150 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.925 -2.320 10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.717 -4.856 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.443 -4.044 10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.849 -4.950 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.753 -6.192 11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.901 -4.490 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.254 -3.991 13.115 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.358 -6.766 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.182 -4.347 13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.015 -5.316 15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.280 -8.020 14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.185 -7.401 15.636 1.00 0.00 H new ATOM 284 N CYS A 14 -4.373 -1.879 8.273 1.00 0.00 N ATOM 285 CA CYS A 14 -4.430 -1.232 6.974 1.00 0.00 C ATOM 286 C CYS A 14 -5.661 -0.323 6.942 1.00 0.00 C ATOM 287 O CYS A 14 -5.534 0.898 6.870 1.00 0.00 O ATOM 288 CB CYS A 14 -4.444 -2.252 5.834 1.00 0.00 C ATOM 289 SG CYS A 14 -3.391 -3.723 6.107 1.00 0.00 S ATOM 0 H CYS A 14 -5.269 -1.943 8.757 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.533 -0.631 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.470 -2.582 5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.121 -1.757 4.918 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.417 -3.416 6.911 1.00 0.00 H new ATOM 294 N LEU A 15 -6.824 -0.955 6.998 1.00 0.00 N ATOM 295 CA LEU A 15 -8.077 -0.219 6.977 1.00 0.00 C ATOM 296 C LEU A 15 -7.951 1.019 7.867 1.00 0.00 C ATOM 297 O LEU A 15 -8.429 2.095 7.510 1.00 0.00 O ATOM 298 CB LEU A 15 -9.242 -1.134 7.358 1.00 0.00 C ATOM 299 CG LEU A 15 -10.428 -1.147 6.391 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.978 -1.515 4.976 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.538 -2.071 6.898 1.00 0.00 C ATOM 0 H LEU A 15 -6.925 -1.968 7.058 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.295 0.133 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.863 -2.152 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.604 -0.837 8.342 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.843 -0.140 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.840 -1.517 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.249 -0.785 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.524 -2.506 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.369 -2.062 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.152 -3.086 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.884 -1.724 7.871 1.00 0.00 H new ATOM 313 N GLN A 16 -7.305 0.826 9.007 1.00 0.00 N ATOM 314 CA GLN A 16 -7.110 1.914 9.950 1.00 0.00 C ATOM 315 C GLN A 16 -6.733 3.198 9.209 1.00 0.00 C ATOM 316 O GLN A 16 -7.009 4.298 9.686 1.00 0.00 O ATOM 317 CB GLN A 16 -6.051 1.552 10.994 1.00 0.00 C ATOM 318 CG GLN A 16 -4.688 1.325 10.336 1.00 0.00 C ATOM 319 CD GLN A 16 -3.625 0.981 11.381 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.086 -0.113 11.419 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.355 1.973 12.225 1.00 0.00 N ATOM 0 H GLN A 16 -6.910 -0.068 9.299 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.049 2.084 10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.974 2.351 11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.355 0.652 11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.762 0.517 9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.390 2.220 9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.843 2.864 12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.660 1.842 12.960 1.00 0.00 H new ATOM 330 N CYS A 17 -6.108 3.016 8.055 1.00 0.00 N ATOM 331 CA CYS A 17 -5.690 4.146 7.244 1.00 0.00 C ATOM 332 C CYS A 17 -6.511 4.140 5.952 1.00 0.00 C ATOM 333 O CYS A 17 -7.289 5.016 5.564 1.00 0.00 O ATOM 334 CB CYS A 17 -4.186 4.117 6.965 1.00 0.00 C ATOM 335 SG CYS A 17 -3.130 4.064 8.458 1.00 0.00 S ATOM 0 H CYS A 17 -5.881 2.102 7.663 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.874 5.074 7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.962 3.247 6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.922 4.999 6.381 1.00 0.00 H new ATOM 340 N HIS A 18 -6.341 3.022 5.159 1.00 0.00 N ATOM 341 CA HIS A 18 -6.737 2.965 3.738 1.00 0.00 C ATOM 342 C HIS A 18 -8.096 2.336 3.471 1.00 0.00 C ATOM 343 O HIS A 18 -8.671 1.569 4.242 1.00 0.00 O ATOM 344 CB HIS A 18 -5.769 2.072 2.948 1.00 0.00 C ATOM 345 CG HIS A 18 -4.313 2.424 2.803 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.850 3.251 1.843 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.211 1.972 3.501 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.609 3.355 1.956 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.120 2.552 2.949 1.00 0.00 N ATOM 0 H HIS A 18 -5.928 2.155 5.502 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.743 4.013 3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.812 1.081 3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.174 1.980 1.940 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.421 3.717 1.138 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.218 1.283 4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.997 4.001 1.343 1.00 0.00 H new ATOM 357 N THR A 19 -8.585 2.732 2.304 1.00 0.00 N ATOM 358 CA THR A 19 -9.882 2.270 1.840 1.00 0.00 C ATOM 359 C THR A 19 -9.721 1.394 0.596 1.00 0.00 C ATOM 360 O THR A 19 -9.209 1.847 -0.426 1.00 0.00 O ATOM 361 CB THR A 19 -10.766 3.497 1.609 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.223 4.101 0.437 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.586 4.561 2.693 1.00 0.00 C ATOM 0 H THR A 19 -8.106 3.368 1.666 1.00 0.00 H new ATOM 0 HA THR A 19 -10.367 1.638 2.584 1.00 0.00 H new ATOM 0 HB THR A 19 -11.811 3.189 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.500 3.541 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.236 5.410 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.845 4.139 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.548 4.894 2.708 1.00 0.00 H new ATOM 371 N VAL A 20 -10.170 0.153 0.724 1.00 0.00 N ATOM 372 CA VAL A 20 -10.082 -0.791 -0.377 1.00 0.00 C ATOM 373 C VAL A 20 -11.015 -0.342 -1.503 1.00 0.00 C ATOM 374 O VAL A 20 -10.691 -0.493 -2.680 1.00 0.00 O ATOM 375 CB VAL A 20 -10.385 -2.205 0.122 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.648 -2.223 0.986 1.00 0.00 C ATOM 377 CG2 VAL A 20 -10.507 -3.185 -1.047 1.00 0.00 C ATOM 0 H VAL A 20 -10.595 -0.220 1.573 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.070 -0.813 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.549 -2.527 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.841 -3.240 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.508 -1.571 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.496 -1.871 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.723 -4.183 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.315 -2.867 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.571 -3.205 -1.605 1.00 0.00 H new ATOM 387 N GLU A 21 -12.156 0.201 -1.103 1.00 0.00 N ATOM 388 CA GLU A 21 -13.138 0.673 -2.064 1.00 0.00 C ATOM 389 C GLU A 21 -12.715 2.030 -2.632 1.00 0.00 C ATOM 390 O GLU A 21 -11.529 2.354 -2.658 1.00 0.00 O ATOM 391 CB GLU A 21 -14.529 0.752 -1.433 1.00 0.00 C ATOM 392 CG GLU A 21 -15.617 0.447 -2.464 1.00 0.00 C ATOM 393 CD GLU A 21 -16.484 -0.731 -2.014 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.926 -1.617 -1.331 1.00 0.00 O ATOM 395 OE2 GLU A 21 -17.684 -0.719 -2.364 1.00 0.00 O ATOM 0 H GLU A 21 -12.422 0.324 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.188 -0.043 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.598 0.045 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.687 1.747 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.242 1.328 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.158 0.219 -3.426 1.00 0.00 H new ATOM 402 N LYS A 22 -13.710 2.787 -3.073 1.00 0.00 N ATOM 403 CA LYS A 22 -13.456 4.101 -3.638 1.00 0.00 C ATOM 404 C LYS A 22 -14.203 5.156 -2.820 1.00 0.00 C ATOM 405 O LYS A 22 -13.658 6.220 -2.528 1.00 0.00 O ATOM 406 CB LYS A 22 -13.803 4.119 -5.128 1.00 0.00 C ATOM 407 CG LYS A 22 -13.052 5.238 -5.853 1.00 0.00 C ATOM 408 CD LYS A 22 -12.919 4.932 -7.346 1.00 0.00 C ATOM 409 CE LYS A 22 -13.340 6.136 -8.192 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.169 5.700 -9.338 1.00 0.00 N ATOM 0 H LYS A 22 -14.693 2.515 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.395 4.343 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.551 3.158 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.877 4.257 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.580 6.182 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.062 5.360 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.888 4.664 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.536 4.070 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.900 6.841 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.456 6.661 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.446 6.529 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.623 5.044 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.022 5.220 -8.987 1.00 0.00 H new ATOM 424 N GLY A 23 -15.438 4.825 -2.474 1.00 0.00 N ATOM 425 CA GLY A 23 -16.265 5.731 -1.695 1.00 0.00 C ATOM 426 C GLY A 23 -15.719 5.887 -0.274 1.00 0.00 C ATOM 427 O GLY A 23 -16.380 5.511 0.693 1.00 0.00 O ATOM 0 H GLY A 23 -15.886 3.942 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.303 6.705 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.287 5.354 -1.656 1.00 0.00 H new ATOM 431 N GLY A 24 -14.519 6.442 -0.193 1.00 0.00 N ATOM 432 CA GLY A 24 -13.878 6.653 1.094 1.00 0.00 C ATOM 433 C GLY A 24 -12.921 7.846 1.041 1.00 0.00 C ATOM 434 O GLY A 24 -12.044 7.905 0.181 1.00 0.00 O ATOM 0 H GLY A 24 -13.974 6.752 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.636 6.824 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.331 5.756 1.383 1.00 0.00 H new ATOM 438 N PRO A 25 -13.129 8.791 1.996 1.00 0.00 N ATOM 439 CA PRO A 25 -12.296 9.980 2.067 1.00 0.00 C ATOM 440 C PRO A 25 -10.918 9.650 2.644 1.00 0.00 C ATOM 441 O PRO A 25 -10.815 9.100 3.739 1.00 0.00 O ATOM 442 CB PRO A 25 -13.080 10.960 2.924 1.00 0.00 C ATOM 443 CG PRO A 25 -14.100 10.126 3.683 1.00 0.00 C ATOM 444 CD PRO A 25 -14.159 8.755 3.031 1.00 0.00 C ATOM 0 HA PRO A 25 -12.089 10.408 1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.422 11.492 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.572 11.712 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.817 10.038 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.079 10.604 3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.965 7.964 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.143 8.562 2.604 1.00 0.00 H new ATOM 452 N HIS A 26 -9.893 10.000 1.881 1.00 0.00 N ATOM 453 CA HIS A 26 -8.525 9.748 2.303 1.00 0.00 C ATOM 454 C HIS A 26 -8.390 10.029 3.801 1.00 0.00 C ATOM 455 O HIS A 26 -8.849 11.063 4.286 1.00 0.00 O ATOM 456 CB HIS A 26 -7.538 10.555 1.457 1.00 0.00 C ATOM 457 CG HIS A 26 -7.846 10.545 -0.021 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.685 9.422 -0.813 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.306 11.532 -0.842 1.00 0.00 C ATOM 460 CE1 HIS A 26 -8.035 9.730 -2.053 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.419 11.039 -2.069 1.00 0.00 N ATOM 0 H HIS A 26 -9.982 10.456 0.973 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.278 8.699 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.532 11.586 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.534 10.159 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.539 12.544 -0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.019 9.062 -2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.740 11.554 -2.889 1.00 0.00 H new ATOM 469 N LYS A 27 -7.759 9.092 4.492 1.00 0.00 N ATOM 470 CA LYS A 27 -7.558 9.226 5.925 1.00 0.00 C ATOM 471 C LYS A 27 -6.064 9.383 6.213 1.00 0.00 C ATOM 472 O LYS A 27 -5.515 10.476 6.087 1.00 0.00 O ATOM 473 CB LYS A 27 -8.208 8.058 6.669 1.00 0.00 C ATOM 474 CG LYS A 27 -9.631 8.411 7.107 1.00 0.00 C ATOM 475 CD LYS A 27 -9.799 8.238 8.618 1.00 0.00 C ATOM 476 CE LYS A 27 -10.072 6.776 8.975 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.462 6.611 9.457 1.00 0.00 N ATOM 0 H LYS A 27 -7.380 8.236 4.086 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.051 10.124 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.229 7.179 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.609 7.799 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.856 9.440 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.345 7.775 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.899 8.579 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.621 8.862 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.906 6.145 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.373 6.446 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.631 5.613 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.608 7.198 10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.125 6.906 8.712 1.00 0.00 H new ATOM 491 N VAL A 28 -5.447 8.274 6.595 1.00 0.00 N ATOM 492 CA VAL A 28 -4.027 8.275 6.903 1.00 0.00 C ATOM 493 C VAL A 28 -3.237 7.923 5.641 1.00 0.00 C ATOM 494 O VAL A 28 -2.068 8.285 5.515 1.00 0.00 O ATOM 495 CB VAL A 28 -3.744 7.327 8.070 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.239 7.134 8.266 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.405 7.827 9.355 1.00 0.00 C ATOM 0 H VAL A 28 -5.905 7.368 6.698 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.705 9.266 7.222 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.177 6.357 7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.065 6.456 9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.805 6.712 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.773 8.097 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.188 7.135 10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.015 8.814 9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.483 7.889 9.209 1.00 0.00 H new ATOM 507 N GLY A 29 -3.906 7.220 4.739 1.00 0.00 N ATOM 508 CA GLY A 29 -3.280 6.815 3.491 1.00 0.00 C ATOM 509 C GLY A 29 -4.240 6.995 2.313 1.00 0.00 C ATOM 510 O GLY A 29 -5.451 7.096 2.503 1.00 0.00 O ATOM 0 H GLY A 29 -4.875 6.920 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.379 7.405 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.971 5.772 3.557 1.00 0.00 H new ATOM 514 N PRO A 30 -3.647 7.032 1.090 1.00 0.00 N ATOM 515 CA PRO A 30 -4.435 7.198 -0.120 1.00 0.00 C ATOM 516 C PRO A 30 -5.171 5.905 -0.476 1.00 0.00 C ATOM 517 O PRO A 30 -4.783 4.824 -0.037 1.00 0.00 O ATOM 518 CB PRO A 30 -3.438 7.626 -1.184 1.00 0.00 C ATOM 519 CG PRO A 30 -2.068 7.236 -0.653 1.00 0.00 C ATOM 520 CD PRO A 30 -2.215 6.915 0.826 1.00 0.00 C ATOM 0 HA PRO A 30 -5.223 7.943 -0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.644 7.132 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.496 8.699 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.680 6.373 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.357 8.049 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.851 5.913 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.641 7.608 1.441 1.00 0.00 H new ATOM 528 N ASN A 31 -6.221 6.059 -1.270 1.00 0.00 N ATOM 529 CA ASN A 31 -7.015 4.917 -1.690 1.00 0.00 C ATOM 530 C ASN A 31 -6.137 3.960 -2.498 1.00 0.00 C ATOM 531 O ASN A 31 -5.231 4.393 -3.209 1.00 0.00 O ATOM 532 CB ASN A 31 -8.180 5.355 -2.581 1.00 0.00 C ATOM 533 CG ASN A 31 -9.368 4.402 -2.438 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.302 3.231 -2.773 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.456 4.967 -1.922 1.00 0.00 N ATOM 0 H ASN A 31 -6.540 6.957 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.406 4.431 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.486 6.366 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.856 5.384 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.302 4.414 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.444 5.953 -1.662 1.00 0.00 H new ATOM 542 N LEU A 32 -6.434 2.676 -2.361 1.00 0.00 N ATOM 543 CA LEU A 32 -5.683 1.654 -3.069 1.00 0.00 C ATOM 544 C LEU A 32 -6.580 1.007 -4.125 1.00 0.00 C ATOM 545 O LEU A 32 -6.490 -0.195 -4.370 1.00 0.00 O ATOM 546 CB LEU A 32 -5.076 0.655 -2.081 1.00 0.00 C ATOM 547 CG LEU A 32 -4.461 1.253 -0.814 1.00 0.00 C ATOM 548 CD1 LEU A 32 -4.275 0.183 0.263 1.00 0.00 C ATOM 549 CD2 LEU A 32 -3.153 1.981 -1.131 1.00 0.00 C ATOM 0 H LEU A 32 -7.185 2.320 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.839 2.098 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.852 -0.051 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.306 0.084 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.154 1.994 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.836 0.635 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.242 -0.251 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.613 -0.598 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.736 2.397 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.442 1.279 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.347 2.787 -1.839 1.00 0.00 H new ATOM 561 N HIS A 33 -7.426 1.832 -4.723 1.00 0.00 N ATOM 562 CA HIS A 33 -8.340 1.356 -5.748 1.00 0.00 C ATOM 563 C HIS A 33 -7.543 0.888 -6.968 1.00 0.00 C ATOM 564 O HIS A 33 -7.205 1.690 -7.837 1.00 0.00 O ATOM 565 CB HIS A 33 -9.377 2.426 -6.091 1.00 0.00 C ATOM 566 CG HIS A 33 -10.790 1.901 -6.196 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.567 2.063 -7.330 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.555 1.216 -5.299 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.746 1.498 -7.112 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.736 0.974 -5.853 1.00 0.00 N ATOM 0 H HIS A 33 -7.498 2.828 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.900 0.499 -5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.346 3.205 -5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.103 2.893 -7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.251 0.920 -4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.570 1.459 -7.809 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.509 0.478 -5.410 1.00 0.00 H new ATOM 578 N GLY A 34 -7.267 -0.407 -6.993 1.00 0.00 N ATOM 579 CA GLY A 34 -6.517 -0.991 -8.092 1.00 0.00 C ATOM 580 C GLY A 34 -5.172 -0.285 -8.274 1.00 0.00 C ATOM 581 O GLY A 34 -5.085 0.722 -8.974 1.00 0.00 O ATOM 0 H GLY A 34 -7.549 -1.069 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.352 -2.052 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.097 -0.919 -9.012 1.00 0.00 H new ATOM 585 N ILE A 35 -4.156 -0.842 -7.631 1.00 0.00 N ATOM 586 CA ILE A 35 -2.819 -0.278 -7.713 1.00 0.00 C ATOM 587 C ILE A 35 -1.948 -1.170 -8.599 1.00 0.00 C ATOM 588 O ILE A 35 -1.105 -0.675 -9.346 1.00 0.00 O ATOM 589 CB ILE A 35 -2.245 -0.054 -6.312 1.00 0.00 C ATOM 590 CG1 ILE A 35 -1.726 -1.364 -5.717 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.271 0.623 -5.401 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.882 -2.247 -5.242 1.00 0.00 C ATOM 0 H ILE A 35 -4.232 -1.678 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.848 0.706 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.394 0.621 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.138 -1.899 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.060 -1.149 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.838 0.771 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.551 1.589 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.157 -0.007 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.485 -3.172 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.453 -1.719 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.532 -2.480 -6.085 1.00 0.00 H new ATOM 604 N PHE A 36 -2.181 -2.470 -8.487 1.00 0.00 N ATOM 605 CA PHE A 36 -1.428 -3.435 -9.269 1.00 0.00 C ATOM 606 C PHE A 36 -1.628 -3.203 -10.768 1.00 0.00 C ATOM 607 O PHE A 36 -2.351 -3.951 -11.425 1.00 0.00 O ATOM 608 CB PHE A 36 -1.963 -4.821 -8.904 1.00 0.00 C ATOM 609 CG PHE A 36 -1.567 -5.291 -7.503 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.312 -5.056 -7.035 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.471 -5.945 -6.725 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.054 -5.492 -5.735 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.105 -6.381 -5.424 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.850 -6.145 -4.956 1.00 0.00 C ATOM 0 H PHE A 36 -2.881 -2.877 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.364 -3.339 -9.053 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.050 -4.811 -8.979 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.600 -5.544 -9.635 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.406 -4.537 -7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.467 -6.133 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.051 -5.305 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.823 -6.900 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.571 -6.476 -3.966 1.00 0.00 H new ATOM 624 N GLY A 37 -0.977 -2.162 -11.266 1.00 0.00 N ATOM 625 CA GLY A 37 -1.074 -1.822 -12.675 1.00 0.00 C ATOM 626 C GLY A 37 -0.659 -0.369 -12.919 1.00 0.00 C ATOM 627 O GLY A 37 -0.229 -0.019 -14.017 1.00 0.00 O ATOM 0 H GLY A 37 -0.380 -1.543 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.438 -2.488 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.097 -1.975 -13.020 1.00 0.00 H new ATOM 631 N ARG A 38 -0.800 0.436 -11.876 1.00 0.00 N ATOM 632 CA ARG A 38 -0.445 1.842 -11.963 1.00 0.00 C ATOM 633 C ARG A 38 0.971 2.066 -11.428 1.00 0.00 C ATOM 634 O ARG A 38 1.583 1.151 -10.878 1.00 0.00 O ATOM 635 CB ARG A 38 -1.425 2.708 -11.169 1.00 0.00 C ATOM 636 CG ARG A 38 -2.575 3.189 -12.057 1.00 0.00 C ATOM 637 CD ARG A 38 -2.128 4.346 -12.953 1.00 0.00 C ATOM 638 NE ARG A 38 -3.131 4.579 -14.016 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.862 5.175 -15.185 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.619 5.602 -15.449 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.835 5.344 -16.091 1.00 0.00 N ATOM 0 H ARG A 38 -1.155 0.141 -10.966 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.491 2.131 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.823 2.137 -10.330 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.900 3.567 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.933 2.364 -12.673 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.411 3.508 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.000 5.250 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.160 4.119 -13.399 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.087 4.266 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.878 5.473 -14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.414 6.056 -16.339 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.781 5.019 -15.890 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.630 5.798 -16.981 1.00 0.00 H new ATOM 655 N HIS A 39 1.451 3.287 -11.608 1.00 0.00 N ATOM 656 CA HIS A 39 2.784 3.643 -11.150 1.00 0.00 C ATOM 657 C HIS A 39 2.685 4.412 -9.831 1.00 0.00 C ATOM 658 O HIS A 39 1.660 5.027 -9.542 1.00 0.00 O ATOM 659 CB HIS A 39 3.542 4.414 -12.232 1.00 0.00 C ATOM 660 CG HIS A 39 4.624 3.612 -12.914 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.567 3.261 -14.251 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.791 3.098 -12.430 1.00 0.00 C ATOM 663 CE1 HIS A 39 5.655 2.566 -14.548 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.413 2.466 -13.418 1.00 0.00 N ATOM 0 H HIS A 39 0.941 4.043 -12.065 1.00 0.00 H new ATOM 0 HA HIS A 39 3.361 2.738 -10.960 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.831 4.759 -12.983 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.989 5.302 -11.785 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.148 3.190 -11.415 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.899 2.151 -15.515 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.310 1.985 -13.344 1.00 0.00 H new ATOM 672 N SER A 40 3.765 4.353 -9.066 1.00 0.00 N ATOM 673 CA SER A 40 3.814 5.037 -7.785 1.00 0.00 C ATOM 674 C SER A 40 3.094 6.384 -7.883 1.00 0.00 C ATOM 675 O SER A 40 3.481 7.242 -8.674 1.00 0.00 O ATOM 676 CB SER A 40 5.258 5.240 -7.323 1.00 0.00 C ATOM 677 OG SER A 40 5.975 6.121 -8.184 1.00 0.00 O ATOM 0 H SER A 40 4.614 3.842 -9.309 1.00 0.00 H new ATOM 0 HA SER A 40 3.309 4.415 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.261 5.641 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.766 4.276 -7.286 1.00 0.00 H new ATOM 0 HG SER A 40 5.344 6.710 -8.649 1.00 0.00 H new ATOM 683 N GLY A 41 2.059 6.525 -7.069 1.00 0.00 N ATOM 684 CA GLY A 41 1.281 7.753 -7.054 1.00 0.00 C ATOM 685 C GLY A 41 0.126 7.682 -8.055 1.00 0.00 C ATOM 686 O GLY A 41 0.347 7.685 -9.265 1.00 0.00 O ATOM 0 H GLY A 41 1.740 5.810 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.889 7.927 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.925 8.599 -7.295 1.00 0.00 H new ATOM 690 N GLN A 42 -1.082 7.621 -7.513 1.00 0.00 N ATOM 691 CA GLN A 42 -2.272 7.550 -8.343 1.00 0.00 C ATOM 692 C GLN A 42 -3.361 8.470 -7.790 1.00 0.00 C ATOM 693 O GLN A 42 -4.545 8.264 -8.052 1.00 0.00 O ATOM 694 CB GLN A 42 -2.776 6.110 -8.456 1.00 0.00 C ATOM 695 CG GLN A 42 -1.625 5.147 -8.755 1.00 0.00 C ATOM 696 CD GLN A 42 -2.051 3.695 -8.527 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.164 3.294 -8.822 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.105 2.933 -7.986 1.00 0.00 N ATOM 0 H GLN A 42 -1.262 7.619 -6.509 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.012 7.889 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.266 5.819 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.524 6.044 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.297 5.276 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.773 5.384 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.193 3.333 -7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.291 1.949 -7.794 1.00 0.00 H new ATOM 707 N ALA A 43 -2.922 9.466 -7.034 1.00 0.00 N ATOM 708 CA ALA A 43 -3.845 10.419 -6.441 1.00 0.00 C ATOM 709 C ALA A 43 -3.287 11.834 -6.608 1.00 0.00 C ATOM 710 O ALA A 43 -2.144 12.102 -6.241 1.00 0.00 O ATOM 711 CB ALA A 43 -4.083 10.055 -4.975 1.00 0.00 C ATOM 0 H ALA A 43 -1.939 9.634 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.810 10.384 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.775 10.770 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.507 9.053 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.137 10.083 -4.435 1.00 0.00 H new ATOM 717 N GLU A 44 -4.120 12.703 -7.162 1.00 0.00 N ATOM 718 CA GLU A 44 -3.724 14.084 -7.381 1.00 0.00 C ATOM 719 C GLU A 44 -4.299 14.981 -6.283 1.00 0.00 C ATOM 720 O GLU A 44 -3.560 15.709 -5.621 1.00 0.00 O ATOM 721 CB GLU A 44 -4.160 14.565 -8.767 1.00 0.00 C ATOM 722 CG GLU A 44 -3.701 16.003 -9.016 1.00 0.00 C ATOM 723 CD GLU A 44 -4.188 16.505 -10.377 1.00 0.00 C ATOM 724 OE1 GLU A 44 -5.308 16.105 -10.762 1.00 0.00 O ATOM 725 OE2 GLU A 44 -3.430 17.278 -11.002 1.00 0.00 O ATOM 0 H GLU A 44 -5.067 12.478 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.636 14.142 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.744 13.909 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.245 14.506 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.082 16.652 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.613 16.054 -8.973 1.00 0.00 H new ATOM 732 N GLY A 45 -5.612 14.901 -6.124 1.00 0.00 N ATOM 733 CA GLY A 45 -6.294 15.697 -5.118 1.00 0.00 C ATOM 734 C GLY A 45 -5.577 15.606 -3.769 1.00 0.00 C ATOM 735 O GLY A 45 -5.413 16.613 -3.081 1.00 0.00 O ATOM 0 H GLY A 45 -6.222 14.297 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.339 16.737 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.322 15.352 -5.011 1.00 0.00 H new ATOM 739 N TYR A 46 -5.171 14.391 -3.431 1.00 0.00 N ATOM 740 CA TYR A 46 -4.476 14.156 -2.177 1.00 0.00 C ATOM 741 C TYR A 46 -2.964 14.312 -2.350 1.00 0.00 C ATOM 742 O TYR A 46 -2.355 13.620 -3.165 1.00 0.00 O ATOM 743 CB TYR A 46 -4.787 12.710 -1.788 1.00 0.00 C ATOM 744 CG TYR A 46 -4.373 12.347 -0.360 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.042 12.140 -0.060 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.330 12.227 0.627 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.652 11.798 1.284 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.940 11.885 1.970 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.620 11.688 2.232 1.00 0.00 C ATOM 750 OH TYR A 46 -3.252 11.365 3.501 1.00 0.00 O ATOM 0 H TYR A 46 -5.310 13.559 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.798 14.871 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.857 12.536 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.281 12.041 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.293 12.234 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.371 12.390 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.614 11.633 1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.679 11.787 2.752 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.048 11.322 4.072 1.00 0.00 H new ATOM 760 N SER A 47 -2.402 15.224 -1.571 1.00 0.00 N ATOM 761 CA SER A 47 -0.973 15.479 -1.628 1.00 0.00 C ATOM 762 C SER A 47 -0.200 14.213 -1.255 1.00 0.00 C ATOM 763 O SER A 47 -0.572 13.508 -0.318 1.00 0.00 O ATOM 764 CB SER A 47 -0.582 16.632 -0.702 1.00 0.00 C ATOM 765 OG SER A 47 -1.092 16.454 0.617 1.00 0.00 O ATOM 0 H SER A 47 -2.911 15.796 -0.897 1.00 0.00 H new ATOM 0 HA SER A 47 -0.717 15.765 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.504 16.713 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.957 17.570 -1.112 1.00 0.00 H new ATOM 0 HG SER A 47 -0.819 17.210 1.178 1.00 0.00 H new ATOM 771 N TYR A 48 0.862 13.962 -2.007 1.00 0.00 N ATOM 772 CA TYR A 48 1.690 12.793 -1.767 1.00 0.00 C ATOM 773 C TYR A 48 3.049 13.193 -1.188 1.00 0.00 C ATOM 774 O TYR A 48 3.291 14.369 -0.919 1.00 0.00 O ATOM 775 CB TYR A 48 1.904 12.140 -3.133 1.00 0.00 C ATOM 776 CG TYR A 48 1.112 10.846 -3.335 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.266 10.862 -3.269 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.777 9.662 -3.584 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.011 9.645 -3.458 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.032 8.444 -3.773 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.325 8.496 -3.701 1.00 0.00 C ATOM 782 OH TYR A 48 -1.028 7.346 -3.881 1.00 0.00 O ATOM 0 H TYR A 48 1.168 14.549 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 48 1.210 12.123 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.625 12.850 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.966 11.928 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.786 11.788 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.856 9.649 -3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.090 9.644 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.539 7.511 -3.967 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.006 6.816 -3.057 1.00 0.00 H new ATOM 792 N THR A 49 3.900 12.193 -1.014 1.00 0.00 N ATOM 793 CA THR A 49 5.228 12.426 -0.472 1.00 0.00 C ATOM 794 C THR A 49 6.256 12.519 -1.601 1.00 0.00 C ATOM 795 O THR A 49 5.998 12.074 -2.719 1.00 0.00 O ATOM 796 CB THR A 49 5.530 11.313 0.534 1.00 0.00 C ATOM 797 OG1 THR A 49 5.449 10.117 -0.236 1.00 0.00 O ATOM 798 CG2 THR A 49 4.426 11.157 1.582 1.00 0.00 C ATOM 0 H THR A 49 3.696 11.219 -1.239 1.00 0.00 H new ATOM 0 HA THR A 49 5.279 13.381 0.052 1.00 0.00 H new ATOM 0 HB THR A 49 6.477 11.521 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.633 9.345 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.689 10.355 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.316 12.089 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.486 10.916 1.087 1.00 0.00 H new ATOM 806 N ASP A 50 7.400 13.099 -1.271 1.00 0.00 N ATOM 807 CA ASP A 50 8.468 13.256 -2.243 1.00 0.00 C ATOM 808 C ASP A 50 9.411 12.055 -2.156 1.00 0.00 C ATOM 809 O ASP A 50 10.558 12.129 -2.597 1.00 0.00 O ATOM 810 CB ASP A 50 9.284 14.520 -1.966 1.00 0.00 C ATOM 811 CG ASP A 50 9.198 15.597 -3.049 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.123 15.680 -3.682 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.209 16.312 -3.220 1.00 0.00 O ATOM 0 H ASP A 50 7.611 13.466 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 50 8.016 13.329 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.951 14.949 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.329 14.238 -1.837 1.00 0.00 H new ATOM 818 N ALA A 51 8.895 10.977 -1.585 1.00 0.00 N ATOM 819 CA ALA A 51 9.677 9.762 -1.435 1.00 0.00 C ATOM 820 C ALA A 51 9.140 8.694 -2.390 1.00 0.00 C ATOM 821 O ALA A 51 9.884 8.162 -3.213 1.00 0.00 O ATOM 822 CB ALA A 51 9.641 9.309 0.026 1.00 0.00 C ATOM 0 H ALA A 51 7.944 10.920 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 51 10.720 9.942 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.228 8.397 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.060 10.091 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.610 9.116 0.322 1.00 0.00 H new ATOM 828 N ASN A 52 7.853 8.412 -2.249 1.00 0.00 N ATOM 829 CA ASN A 52 7.209 7.417 -3.089 1.00 0.00 C ATOM 830 C ASN A 52 7.243 7.885 -4.545 1.00 0.00 C ATOM 831 O ASN A 52 7.906 7.274 -5.382 1.00 0.00 O ATOM 832 CB ASN A 52 5.745 7.223 -2.688 1.00 0.00 C ATOM 833 CG ASN A 52 5.062 6.191 -3.589 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.497 5.059 -3.720 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.972 6.644 -4.200 1.00 0.00 N ATOM 0 H ASN A 52 7.239 8.855 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 52 7.744 6.475 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.689 6.898 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.217 8.174 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.445 6.032 -4.823 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.663 7.604 -4.046 1.00 0.00 H new ATOM 842 N ILE A 53 6.520 8.965 -4.802 1.00 0.00 N ATOM 843 CA ILE A 53 6.460 9.523 -6.143 1.00 0.00 C ATOM 844 C ILE A 53 7.854 9.481 -6.772 1.00 0.00 C ATOM 845 O ILE A 53 7.990 9.259 -7.974 1.00 0.00 O ATOM 846 CB ILE A 53 5.840 10.921 -6.114 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.315 10.844 -6.015 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.295 11.747 -7.319 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.715 12.217 -5.708 1.00 0.00 C ATOM 0 H ILE A 53 5.971 9.468 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 53 5.807 8.923 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 53 6.195 11.433 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.905 10.465 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.033 10.137 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.840 12.737 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.380 11.846 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.989 11.248 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.630 12.134 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.108 12.582 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.978 12.915 -6.503 1.00 0.00 H new ATOM 861 N LYS A 54 8.854 9.697 -5.931 1.00 0.00 N ATOM 862 CA LYS A 54 10.233 9.687 -6.389 1.00 0.00 C ATOM 863 C LYS A 54 10.768 8.254 -6.349 1.00 0.00 C ATOM 864 O LYS A 54 11.869 8.012 -5.856 1.00 0.00 O ATOM 865 CB LYS A 54 11.073 10.680 -5.583 1.00 0.00 C ATOM 866 CG LYS A 54 10.477 12.087 -5.656 1.00 0.00 C ATOM 867 CD LYS A 54 10.991 12.837 -6.887 1.00 0.00 C ATOM 868 CE LYS A 54 10.593 14.314 -6.835 1.00 0.00 C ATOM 869 NZ LYS A 54 11.766 15.156 -6.513 1.00 0.00 N ATOM 0 H LYS A 54 8.737 9.880 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 54 10.293 10.022 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.126 10.357 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.094 10.693 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.389 12.024 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.734 12.642 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.076 12.751 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.588 12.380 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.173 14.617 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.816 14.461 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.478 16.155 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.150 14.877 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.496 15.029 -7.243 1.00 0.00 H new ATOM 883 N LYS A 55 9.965 7.341 -6.874 1.00 0.00 N ATOM 884 CA LYS A 55 10.344 5.939 -6.904 1.00 0.00 C ATOM 885 C LYS A 55 9.935 5.333 -8.249 1.00 0.00 C ATOM 886 O LYS A 55 10.749 4.707 -8.925 1.00 0.00 O ATOM 887 CB LYS A 55 9.765 5.201 -5.696 1.00 0.00 C ATOM 888 CG LYS A 55 10.721 4.109 -5.210 1.00 0.00 C ATOM 889 CD LYS A 55 10.759 2.937 -6.193 1.00 0.00 C ATOM 890 CE LYS A 55 12.196 2.467 -6.430 1.00 0.00 C ATOM 891 NZ LYS A 55 12.704 2.984 -7.720 1.00 0.00 N ATOM 0 H LYS A 55 9.053 7.545 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 55 11.426 5.835 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.576 5.909 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.806 4.757 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.723 4.523 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.406 3.755 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.162 2.112 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.310 3.237 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.836 2.810 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.234 1.378 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.912 2.187 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.985 3.596 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.572 3.532 -7.556 1.00 0.00 H new ATOM 905 N ASN A 56 8.673 5.541 -8.595 1.00 0.00 N ATOM 906 CA ASN A 56 8.146 5.023 -9.847 1.00 0.00 C ATOM 907 C ASN A 56 8.209 3.494 -9.828 1.00 0.00 C ATOM 908 O ASN A 56 9.176 2.904 -10.307 1.00 0.00 O ATOM 909 CB ASN A 56 8.970 5.516 -11.037 1.00 0.00 C ATOM 910 CG ASN A 56 8.069 6.124 -12.114 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.934 5.608 -13.211 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.462 7.247 -11.741 1.00 0.00 N ATOM 0 H ASN A 56 8.000 6.061 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 56 7.119 5.372 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.693 6.259 -10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.538 4.687 -11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.840 7.730 -12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.619 7.625 -10.807 1.00 0.00 H new ATOM 919 N VAL A 57 7.166 2.897 -9.270 1.00 0.00 N ATOM 920 CA VAL A 57 7.091 1.449 -9.183 1.00 0.00 C ATOM 921 C VAL A 57 5.704 0.987 -9.632 1.00 0.00 C ATOM 922 O VAL A 57 4.733 1.110 -8.887 1.00 0.00 O ATOM 923 CB VAL A 57 7.445 0.991 -7.767 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.842 0.370 -7.724 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.327 2.147 -6.771 1.00 0.00 C ATOM 0 H VAL A 57 6.366 3.390 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 57 7.819 0.988 -9.850 1.00 0.00 H new ATOM 0 HB VAL A 57 6.729 0.223 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.068 0.053 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.877 -0.493 -8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.578 1.107 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.584 1.794 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.008 2.947 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.304 2.524 -6.771 1.00 0.00 H new ATOM 935 N LEU A 58 5.655 0.464 -10.849 1.00 0.00 N ATOM 936 CA LEU A 58 4.402 -0.018 -11.406 1.00 0.00 C ATOM 937 C LEU A 58 3.877 -1.171 -10.549 1.00 0.00 C ATOM 938 O LEU A 58 4.042 -2.338 -10.903 1.00 0.00 O ATOM 939 CB LEU A 58 4.577 -0.379 -12.882 1.00 0.00 C ATOM 940 CG LEU A 58 3.292 -0.687 -13.654 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.179 0.189 -14.903 1.00 0.00 C ATOM 942 CD2 LEU A 58 3.196 -2.177 -13.988 1.00 0.00 C ATOM 0 H LEU A 58 6.462 0.364 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 58 3.647 0.767 -11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.087 0.446 -13.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.234 -1.246 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 58 2.443 -0.446 -13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.257 -0.050 -15.433 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.168 1.239 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.032 0.003 -15.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.274 -2.368 -14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.049 -2.468 -14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.196 -2.757 -13.065 1.00 0.00 H new ATOM 954 N TRP A 59 3.256 -0.805 -9.437 1.00 0.00 N ATOM 955 CA TRP A 59 2.706 -1.795 -8.526 1.00 0.00 C ATOM 956 C TRP A 59 2.206 -2.977 -9.358 1.00 0.00 C ATOM 957 O TRP A 59 1.378 -2.806 -10.251 1.00 0.00 O ATOM 958 CB TRP A 59 1.617 -1.182 -7.644 1.00 0.00 C ATOM 959 CG TRP A 59 2.046 0.099 -6.924 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.554 1.336 -7.079 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.080 0.218 -5.925 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.193 2.240 -6.255 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.151 1.539 -5.532 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.928 -0.757 -5.372 1.00 0.00 C ATOM 965 CZ2 TRP A 59 4.054 2.005 -4.569 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.825 -0.276 -4.411 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.909 1.051 -4.004 1.00 0.00 C ATOM 0 H TRP A 59 3.122 0.163 -9.146 1.00 0.00 H new ATOM 0 HA TRP A 59 3.471 -2.153 -7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.744 -0.965 -8.260 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.308 -1.918 -6.901 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.758 1.593 -7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.998 3.239 -6.189 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.890 -1.796 -5.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.089 3.044 -4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.499 -0.985 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.630 1.344 -3.256 1.00 0.00 H new ATOM 978 N ASP A 60 2.731 -4.150 -9.036 1.00 0.00 N ATOM 979 CA ASP A 60 2.349 -5.361 -9.743 1.00 0.00 C ATOM 980 C ASP A 60 1.771 -6.367 -8.746 1.00 0.00 C ATOM 981 O ASP A 60 0.584 -6.688 -8.801 1.00 0.00 O ATOM 982 CB ASP A 60 3.558 -6.008 -10.421 1.00 0.00 C ATOM 983 CG ASP A 60 3.304 -6.527 -11.837 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.380 -5.697 -12.768 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.041 -7.743 -11.957 1.00 0.00 O ATOM 0 H ASP A 60 3.418 -4.288 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 60 1.613 -5.091 -10.500 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.368 -5.280 -10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.902 -6.837 -9.803 1.00 0.00 H new ATOM 990 N GLU A 61 2.635 -6.836 -7.859 1.00 0.00 N ATOM 991 CA GLU A 61 2.225 -7.799 -6.851 1.00 0.00 C ATOM 992 C GLU A 61 3.415 -8.187 -5.972 1.00 0.00 C ATOM 993 O GLU A 61 3.260 -8.405 -4.771 1.00 0.00 O ATOM 994 CB GLU A 61 1.595 -9.035 -7.498 1.00 0.00 C ATOM 995 CG GLU A 61 1.238 -10.084 -6.443 1.00 0.00 C ATOM 996 CD GLU A 61 1.108 -11.472 -7.073 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.014 -11.753 -7.608 1.00 0.00 O ATOM 998 OE2 GLU A 61 2.106 -12.222 -7.004 1.00 0.00 O ATOM 0 H GLU A 61 3.618 -6.567 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 61 1.468 -7.334 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.699 -8.746 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.287 -9.464 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.005 -10.102 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.301 -9.812 -5.957 1.00 0.00 H new ATOM 1005 N ASN A 62 4.577 -8.262 -6.604 1.00 0.00 N ATOM 1006 CA ASN A 62 5.794 -8.620 -5.894 1.00 0.00 C ATOM 1007 C ASN A 62 6.471 -7.349 -5.378 1.00 0.00 C ATOM 1008 O ASN A 62 6.622 -7.169 -4.171 1.00 0.00 O ATOM 1009 CB ASN A 62 6.779 -9.339 -6.818 1.00 0.00 C ATOM 1010 CG ASN A 62 8.205 -9.254 -6.270 1.00 0.00 C ATOM 1011 OD1 ASN A 62 8.626 -10.040 -5.437 1.00 0.00 O ATOM 1012 ND2 ASN A 62 8.924 -8.260 -6.783 1.00 0.00 N ATOM 0 H ASN A 62 4.702 -8.081 -7.600 1.00 0.00 H new ATOM 0 HA ASN A 62 5.522 -9.282 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.488 -10.384 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.741 -8.895 -7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.889 -8.120 -6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.511 -7.637 -7.477 1.00 0.00 H new ATOM 1019 N ASN A 63 6.860 -6.500 -6.318 1.00 0.00 N ATOM 1020 CA ASN A 63 7.517 -5.251 -5.974 1.00 0.00 C ATOM 1021 C ASN A 63 6.825 -4.635 -4.756 1.00 0.00 C ATOM 1022 O ASN A 63 7.486 -4.105 -3.864 1.00 0.00 O ATOM 1023 CB ASN A 63 7.430 -4.247 -7.125 1.00 0.00 C ATOM 1024 CG ASN A 63 6.053 -3.581 -7.169 1.00 0.00 C ATOM 1025 OD1 ASN A 63 5.027 -4.227 -7.298 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.090 -2.256 -7.056 1.00 0.00 N ATOM 0 H ASN A 63 6.732 -6.653 -7.318 1.00 0.00 H new ATOM 0 HA ASN A 63 8.564 -5.468 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.202 -3.487 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.623 -4.754 -8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.224 -1.718 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.985 -1.778 -6.951 1.00 0.00 H new ATOM 1033 N MET A 64 5.503 -4.725 -4.758 1.00 0.00 N ATOM 1034 CA MET A 64 4.715 -4.183 -3.664 1.00 0.00 C ATOM 1035 C MET A 64 5.016 -4.916 -2.355 1.00 0.00 C ATOM 1036 O MET A 64 5.450 -4.302 -1.382 1.00 0.00 O ATOM 1037 CB MET A 64 3.226 -4.316 -3.993 1.00 0.00 C ATOM 1038 CG MET A 64 2.364 -4.009 -2.767 1.00 0.00 C ATOM 1039 SD MET A 64 0.867 -3.175 -3.267 1.00 0.00 S ATOM 1040 CE MET A 64 1.561 -1.699 -3.991 1.00 0.00 C ATOM 0 H MET A 64 4.958 -5.165 -5.499 1.00 0.00 H new ATOM 0 HA MET A 64 4.977 -3.132 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.967 -3.635 -4.804 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.017 -5.326 -4.346 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.118 -4.933 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.921 -3.386 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.790 -0.932 -4.064 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.376 -1.335 -3.365 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.942 -1.927 -4.987 1.00 0.00 H new ATOM 1050 N SER A 65 4.774 -6.218 -2.374 1.00 0.00 N ATOM 1051 CA SER A 65 5.014 -7.041 -1.200 1.00 0.00 C ATOM 1052 C SER A 65 6.381 -6.708 -0.598 1.00 0.00 C ATOM 1053 O SER A 65 6.519 -6.609 0.620 1.00 0.00 O ATOM 1054 CB SER A 65 4.935 -8.529 -1.545 1.00 0.00 C ATOM 1055 OG SER A 65 6.080 -8.971 -2.268 1.00 0.00 O ATOM 0 H SER A 65 4.414 -6.724 -3.183 1.00 0.00 H new ATOM 0 HA SER A 65 4.238 -6.824 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.840 -9.109 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.038 -8.717 -2.136 1.00 0.00 H new ATOM 0 HG SER A 65 6.236 -8.375 -3.030 1.00 0.00 H new ATOM 1061 N GLU A 66 7.356 -6.544 -1.480 1.00 0.00 N ATOM 1062 CA GLU A 66 8.707 -6.224 -1.051 1.00 0.00 C ATOM 1063 C GLU A 66 8.708 -4.946 -0.209 1.00 0.00 C ATOM 1064 O GLU A 66 9.477 -4.827 0.743 1.00 0.00 O ATOM 1065 CB GLU A 66 9.646 -6.090 -2.251 1.00 0.00 C ATOM 1066 CG GLU A 66 11.073 -6.497 -1.879 1.00 0.00 C ATOM 1067 CD GLU A 66 11.948 -6.633 -3.127 1.00 0.00 C ATOM 1068 OE1 GLU A 66 12.160 -5.593 -3.787 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.385 -7.773 -3.392 1.00 0.00 O ATOM 0 H GLU A 66 7.237 -6.627 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 66 9.075 -7.043 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.288 -6.715 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.639 -5.061 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.504 -5.754 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.056 -7.443 -1.338 1.00 0.00 H new ATOM 1076 N TYR A 67 7.837 -4.023 -0.591 1.00 0.00 N ATOM 1077 CA TYR A 67 7.728 -2.759 0.117 1.00 0.00 C ATOM 1078 C TYR A 67 6.818 -2.893 1.340 1.00 0.00 C ATOM 1079 O TYR A 67 7.169 -2.444 2.431 1.00 0.00 O ATOM 1080 CB TYR A 67 7.094 -1.777 -0.870 1.00 0.00 C ATOM 1081 CG TYR A 67 6.359 -0.612 -0.203 1.00 0.00 C ATOM 1082 CD1 TYR A 67 7.064 0.495 0.223 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.991 -0.668 -0.028 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.373 1.591 0.851 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.300 0.428 0.599 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.025 1.503 1.008 1.00 0.00 C ATOM 1087 OH TYR A 67 4.372 2.539 1.601 1.00 0.00 O ATOM 0 H TYR A 67 7.201 -4.126 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 67 8.706 -2.428 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.872 -1.378 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.394 -2.318 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.134 0.539 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.439 -1.534 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.913 2.463 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.230 0.397 0.741 1.00 0.00 H new ATOM 0 HH TYR A 67 4.576 3.370 1.124 1.00 0.00 H new ATOM 1097 N LEU A 68 5.668 -3.512 1.118 1.00 0.00 N ATOM 1098 CA LEU A 68 4.706 -3.710 2.189 1.00 0.00 C ATOM 1099 C LEU A 68 5.441 -4.163 3.452 1.00 0.00 C ATOM 1100 O LEU A 68 5.147 -3.690 4.549 1.00 0.00 O ATOM 1101 CB LEU A 68 3.600 -4.669 1.744 1.00 0.00 C ATOM 1102 CG LEU A 68 2.819 -4.258 0.494 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.757 -5.302 0.143 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.216 -2.861 0.659 1.00 0.00 C ATOM 0 H LEU A 68 5.381 -3.883 0.212 1.00 0.00 H new ATOM 0 HA LEU A 68 4.206 -2.772 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.045 -5.648 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.895 -4.786 2.567 1.00 0.00 H new ATOM 0 HG LEU A 68 3.515 -4.212 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.216 -4.985 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.238 -6.262 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.058 -5.404 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.666 -2.593 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.538 -2.856 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.014 -2.138 0.826 1.00 0.00 H new ATOM 1116 N THR A 69 6.383 -5.073 3.256 1.00 0.00 N ATOM 1117 CA THR A 69 7.163 -5.595 4.365 1.00 0.00 C ATOM 1118 C THR A 69 8.138 -4.533 4.878 1.00 0.00 C ATOM 1119 O THR A 69 8.273 -4.342 6.086 1.00 0.00 O ATOM 1120 CB THR A 69 7.853 -6.878 3.896 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.677 -7.251 4.997 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.843 -6.627 2.757 1.00 0.00 C ATOM 0 H THR A 69 6.624 -5.463 2.345 1.00 0.00 H new ATOM 0 HA THR A 69 6.526 -5.843 5.214 1.00 0.00 H new ATOM 0 HB THR A 69 7.101 -7.597 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.160 -8.075 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.305 -7.569 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.316 -6.199 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.615 -5.934 3.092 1.00 0.00 H new ATOM 1130 N ASN A 70 8.791 -3.871 3.935 1.00 0.00 N ATOM 1131 CA ASN A 70 9.749 -2.833 4.276 1.00 0.00 C ATOM 1132 C ASN A 70 9.386 -1.546 3.535 1.00 0.00 C ATOM 1133 O ASN A 70 10.056 -1.168 2.575 1.00 0.00 O ATOM 1134 CB ASN A 70 11.166 -3.234 3.862 1.00 0.00 C ATOM 1135 CG ASN A 70 12.209 -2.593 4.780 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.914 -1.727 5.587 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.441 -3.064 4.612 1.00 0.00 N ATOM 0 H ASN A 70 8.676 -4.033 2.935 1.00 0.00 H new ATOM 0 HA ASN A 70 9.717 -2.686 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.265 -4.319 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.347 -2.929 2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.208 -2.699 5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.619 -3.790 3.918 1.00 0.00 H new ATOM 1144 N PRO A 71 8.298 -0.890 4.020 1.00 0.00 N ATOM 1145 CA PRO A 71 7.837 0.347 3.414 1.00 0.00 C ATOM 1146 C PRO A 71 8.751 1.515 3.790 1.00 0.00 C ATOM 1147 O PRO A 71 8.906 2.394 2.960 1.00 0.00 O ATOM 1148 CB PRO A 71 6.413 0.524 3.914 1.00 0.00 C ATOM 1149 CG PRO A 71 6.287 -0.366 5.140 1.00 0.00 C ATOM 1150 CD PRO A 71 7.480 -1.308 5.155 1.00 0.00 C ATOM 0 HA PRO A 71 7.862 0.316 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.214 1.566 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.692 0.238 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.264 0.236 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.355 -0.930 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.033 -1.231 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.165 -2.347 5.055 1.00 0.00 H new HETATM 1158 N M3L A 72 9.285 1.442 4.999 1.00 0.00 N HETATM 1159 CA M3L A 72 10.159 2.506 5.536 1.00 0.00 C HETATM 1160 CB M3L A 72 10.235 2.355 7.069 1.00 0.00 C HETATM 1161 CG M3L A 72 9.838 3.737 7.589 1.00 0.00 C HETATM 1162 CD M3L A 72 8.310 3.933 7.622 1.00 0.00 C HETATM 1163 CE M3L A 72 7.842 3.383 8.983 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.669 4.449 9.981 1.00 0.00 N HETATM 1165 C M3L A 72 11.572 2.544 5.017 1.00 0.00 C HETATM 1166 O M3L A 72 12.221 3.589 5.009 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.059 3.709 11.112 1.00 0.00 C HETATM 1168 CM2 M3L A 72 8.996 4.993 10.337 1.00 0.00 C HETATM 1169 CM3 M3L A 72 6.791 5.520 9.481 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.226 5.957 8.582 1.00 0.00 H new HETATM 0 HM32 M3L A 72 5.810 5.106 9.245 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.686 6.291 10.245 1.00 0.00 H new HETATM 0 HM23 M3L A 72 9.616 4.198 10.752 1.00 0.00 H new HETATM 0 HM22 M3L A 72 9.474 5.398 9.445 1.00 0.00 H new HETATM 0 HM21 M3L A 72 8.878 5.785 11.077 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.117 3.266 10.791 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.737 2.921 11.440 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.874 4.395 11.938 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.241 3.875 8.592 1.00 0.00 H new HETATM 0 HG2 M3L A 72 10.287 4.503 6.957 1.00 0.00 H new HETATM 0 HE3 M3L A 72 6.899 2.852 8.854 1.00 0.00 H new HETATM 0 HE2 M3L A 72 8.569 2.658 9.350 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.049 4.986 7.516 1.00 0.00 H new HETATM 0 HD2 M3L A 72 7.830 3.401 6.800 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.557 1.581 7.429 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.237 2.077 7.395 1.00 0.00 H new HETATM 0 HA M3L A 72 9.695 3.434 5.201 1.00 0.00 H new HETATM 0 H M3L A 72 8.853 0.769 5.632 1.00 0.00 H new ATOM 1189 N LYS A 73 11.986 1.399 4.495 1.00 0.00 N ATOM 1190 CA LYS A 73 13.285 1.295 3.853 1.00 0.00 C ATOM 1191 C LYS A 73 13.133 1.571 2.356 1.00 0.00 C ATOM 1192 O LYS A 73 13.603 2.594 1.859 1.00 0.00 O ATOM 1193 CB LYS A 73 13.932 -0.055 4.167 1.00 0.00 C ATOM 1194 CG LYS A 73 15.407 -0.064 3.761 1.00 0.00 C ATOM 1195 CD LYS A 73 16.308 -0.303 4.975 1.00 0.00 C ATOM 1196 CE LYS A 73 17.729 0.197 4.710 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.737 1.667 4.532 1.00 0.00 N ATOM 0 H LYS A 73 11.444 0.535 4.504 1.00 0.00 H new ATOM 0 HA LYS A 73 13.966 2.048 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.843 -0.266 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.401 -0.848 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.579 -0.842 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.665 0.886 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.895 0.208 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.331 -1.367 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.378 -0.078 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.130 -0.285 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.409 2.094 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.023 1.897 3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.784 2.044 4.711 1.00 0.00 H new ATOM 1211 N TYR A 74 12.475 0.642 1.680 1.00 0.00 N ATOM 1212 CA TYR A 74 12.255 0.772 0.249 1.00 0.00 C ATOM 1213 C TYR A 74 11.966 2.226 -0.131 1.00 0.00 C ATOM 1214 O TYR A 74 12.577 2.763 -1.053 1.00 0.00 O ATOM 1215 CB TYR A 74 11.024 -0.079 -0.067 1.00 0.00 C ATOM 1216 CG TYR A 74 10.842 -0.382 -1.556 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.774 -1.153 -2.222 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.748 0.116 -2.233 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.603 -1.438 -3.623 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.577 -0.169 -3.634 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.513 -0.932 -4.260 1.00 0.00 C ATOM 1222 OH TYR A 74 10.352 -1.201 -5.583 1.00 0.00 O ATOM 0 H TYR A 74 12.087 -0.204 2.096 1.00 0.00 H new ATOM 0 HA TYR A 74 13.137 0.453 -0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.096 -1.020 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.136 0.435 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.631 -1.542 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.020 0.720 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.324 -2.040 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.725 0.214 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 74 9.597 -1.814 -5.703 1.00 0.00 H new ATOM 1232 N ILE A 75 11.034 2.821 0.599 1.00 0.00 N ATOM 1233 CA ILE A 75 10.657 4.202 0.350 1.00 0.00 C ATOM 1234 C ILE A 75 11.258 5.094 1.438 1.00 0.00 C ATOM 1235 O ILE A 75 10.865 5.012 2.600 1.00 0.00 O ATOM 1236 CB ILE A 75 9.137 4.327 0.221 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.584 3.298 -0.767 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.735 5.755 -0.153 1.00 0.00 C ATOM 1239 CD1 ILE A 75 9.051 3.600 -2.192 1.00 0.00 C ATOM 0 H ILE A 75 10.529 2.372 1.363 1.00 0.00 H new ATOM 0 HA ILE A 75 11.064 4.543 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 75 8.692 4.111 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.910 2.299 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.495 3.301 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.650 5.817 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.078 6.444 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.190 6.023 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.644 2.854 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.703 4.590 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.140 3.572 -2.232 1.00 0.00 H new ATOM 1251 N PRO A 76 12.226 5.948 1.010 1.00 0.00 N ATOM 1252 CA PRO A 76 12.885 6.855 1.935 1.00 0.00 C ATOM 1253 C PRO A 76 11.969 8.024 2.303 1.00 0.00 C ATOM 1254 O PRO A 76 11.887 9.008 1.571 1.00 0.00 O ATOM 1255 CB PRO A 76 14.151 7.296 1.218 1.00 0.00 C ATOM 1256 CG PRO A 76 13.924 6.990 -0.254 1.00 0.00 C ATOM 1257 CD PRO A 76 12.717 6.073 -0.359 1.00 0.00 C ATOM 0 HA PRO A 76 13.126 6.383 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.337 8.359 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.022 6.762 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.754 7.910 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.804 6.513 -0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.956 6.494 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.992 5.102 -0.771 1.00 0.00 H new ATOM 1265 N GLY A 77 11.303 7.876 3.439 1.00 0.00 N ATOM 1266 CA GLY A 77 10.396 8.907 3.914 1.00 0.00 C ATOM 1267 C GLY A 77 8.942 8.543 3.605 1.00 0.00 C ATOM 1268 O GLY A 77 8.201 9.352 3.047 1.00 0.00 O ATOM 0 H GLY A 77 11.373 7.058 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.521 9.039 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.644 9.859 3.445 1.00 0.00 H new ATOM 1272 N THR A 78 8.577 7.326 3.979 1.00 0.00 N ATOM 1273 CA THR A 78 7.226 6.845 3.748 1.00 0.00 C ATOM 1274 C THR A 78 6.335 7.160 4.952 1.00 0.00 C ATOM 1275 O THR A 78 6.532 6.611 6.035 1.00 0.00 O ATOM 1276 CB THR A 78 7.304 5.352 3.424 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.086 5.082 2.735 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.225 4.476 4.676 1.00 0.00 C ATOM 0 H THR A 78 9.194 6.658 4.441 1.00 0.00 H new ATOM 0 HA THR A 78 6.765 7.352 2.900 1.00 0.00 H new ATOM 0 HB THR A 78 8.233 5.144 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.328 5.245 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.285 3.426 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.053 4.718 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.281 4.659 5.189 1.00 0.00 H new ATOM 1286 N LYS A 79 5.374 8.042 4.721 1.00 0.00 N ATOM 1287 CA LYS A 79 4.452 8.437 5.773 1.00 0.00 C ATOM 1288 C LYS A 79 3.755 7.193 6.327 1.00 0.00 C ATOM 1289 O LYS A 79 3.237 7.212 7.442 1.00 0.00 O ATOM 1290 CB LYS A 79 3.486 9.508 5.264 1.00 0.00 C ATOM 1291 CG LYS A 79 2.775 10.202 6.428 1.00 0.00 C ATOM 1292 CD LYS A 79 3.280 11.636 6.602 1.00 0.00 C ATOM 1293 CE LYS A 79 2.550 12.593 5.658 1.00 0.00 C ATOM 1294 NZ LYS A 79 2.355 13.911 6.303 1.00 0.00 N ATOM 0 H LYS A 79 5.214 8.494 3.821 1.00 0.00 H new ATOM 0 HA LYS A 79 4.992 8.896 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.032 10.245 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.749 9.053 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.700 10.210 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.941 9.640 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.132 11.955 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.352 11.674 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.123 12.713 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.584 12.172 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.858 14.548 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.790 13.794 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.280 14.318 6.547 1.00 0.00 H new ATOM 1308 N MET A 80 3.764 6.140 5.522 1.00 0.00 N ATOM 1309 CA MET A 80 3.138 4.890 5.917 1.00 0.00 C ATOM 1310 C MET A 80 3.895 4.241 7.078 1.00 0.00 C ATOM 1311 O MET A 80 4.902 3.567 6.867 1.00 0.00 O ATOM 1312 CB MET A 80 3.113 3.932 4.725 1.00 0.00 C ATOM 1313 CG MET A 80 2.538 2.572 5.126 1.00 0.00 C ATOM 1314 SD MET A 80 2.031 1.670 3.672 1.00 0.00 S ATOM 1315 CE MET A 80 2.301 -0.002 4.234 1.00 0.00 C ATOM 0 H MET A 80 4.195 6.127 4.598 1.00 0.00 H new ATOM 0 HA MET A 80 2.120 5.103 6.245 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.514 4.361 3.922 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.123 3.803 4.336 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.285 2.000 5.676 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.687 2.710 5.793 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.839 -0.700 3.535 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.372 -0.199 4.289 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.857 -0.130 5.221 1.00 0.00 H new ATOM 1325 N ALA A 81 3.382 4.468 8.278 1.00 0.00 N ATOM 1326 CA ALA A 81 3.997 3.915 9.472 1.00 0.00 C ATOM 1327 C ALA A 81 3.381 2.546 9.770 1.00 0.00 C ATOM 1328 O ALA A 81 2.548 2.419 10.667 1.00 0.00 O ATOM 1329 CB ALA A 81 3.829 4.895 10.635 1.00 0.00 C ATOM 0 H ALA A 81 2.547 5.028 8.449 1.00 0.00 H new ATOM 0 HA ALA A 81 5.067 3.770 9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.291 4.479 11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.309 5.841 10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.768 5.063 10.819 1.00 0.00 H new ATOM 1335 N PHE A 82 3.814 1.558 9.002 1.00 0.00 N ATOM 1336 CA PHE A 82 3.315 0.204 9.173 1.00 0.00 C ATOM 1337 C PHE A 82 4.425 -0.732 9.656 1.00 0.00 C ATOM 1338 O PHE A 82 5.588 -0.561 9.294 1.00 0.00 O ATOM 1339 CB PHE A 82 2.827 -0.269 7.802 1.00 0.00 C ATOM 1340 CG PHE A 82 2.542 -1.770 7.727 1.00 0.00 C ATOM 1341 CD1 PHE A 82 3.531 -2.633 7.372 1.00 0.00 C ATOM 1342 CD2 PHE A 82 1.299 -2.242 8.015 1.00 0.00 C ATOM 1343 CE1 PHE A 82 3.267 -4.027 7.302 1.00 0.00 C ATOM 1344 CE2 PHE A 82 1.035 -3.635 7.945 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.024 -4.498 7.590 1.00 0.00 C ATOM 0 H PHE A 82 4.505 1.668 8.260 1.00 0.00 H new ATOM 0 HA PHE A 82 2.517 0.192 9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.919 0.276 7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.577 -0.014 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.518 -2.258 7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.513 -1.557 8.297 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.053 -4.712 7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.048 -4.010 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.822 -5.558 7.537 1.00 0.00 H new ATOM 1355 N GLY A 83 4.026 -1.701 10.467 1.00 0.00 N ATOM 1356 CA GLY A 83 4.972 -2.664 11.004 1.00 0.00 C ATOM 1357 C GLY A 83 5.237 -3.790 10.002 1.00 0.00 C ATOM 1358 O GLY A 83 4.400 -4.673 9.820 1.00 0.00 O ATOM 0 H GLY A 83 3.060 -1.840 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.908 -2.162 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.583 -3.082 11.932 1.00 0.00 H new ATOM 1362 N GLY A 84 6.404 -3.722 9.379 1.00 0.00 N ATOM 1363 CA GLY A 84 6.789 -4.724 8.400 1.00 0.00 C ATOM 1364 C GLY A 84 6.402 -6.128 8.871 1.00 0.00 C ATOM 1365 O GLY A 84 6.885 -6.596 9.900 1.00 0.00 O ATOM 0 H GLY A 84 7.096 -2.988 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.306 -4.510 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.865 -4.677 8.230 1.00 0.00 H new ATOM 1369 N LEU A 85 5.534 -6.759 8.094 1.00 0.00 N ATOM 1370 CA LEU A 85 5.076 -8.099 8.419 1.00 0.00 C ATOM 1371 C LEU A 85 6.249 -9.075 8.308 1.00 0.00 C ATOM 1372 O LEU A 85 6.506 -9.849 9.229 1.00 0.00 O ATOM 1373 CB LEU A 85 3.875 -8.480 7.550 1.00 0.00 C ATOM 1374 CG LEU A 85 2.499 -8.121 8.114 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.452 -8.052 7.001 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.091 -9.089 9.226 1.00 0.00 C ATOM 0 H LEU A 85 5.136 -6.367 7.241 1.00 0.00 H new ATOM 0 HA LEU A 85 4.722 -8.141 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.986 -7.996 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.905 -9.555 7.375 1.00 0.00 H new ATOM 0 HG LEU A 85 2.561 -7.128 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.483 -7.795 7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.742 -7.292 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.384 -9.020 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.109 -8.810 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.051 -10.103 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.821 -9.044 10.034 1.00 0.00 H new ATOM 1388 N LYS A 86 6.930 -9.006 7.174 1.00 0.00 N ATOM 1389 CA LYS A 86 8.070 -9.874 6.931 1.00 0.00 C ATOM 1390 C LYS A 86 7.666 -11.325 7.195 1.00 0.00 C ATOM 1391 O LYS A 86 8.490 -12.137 7.613 1.00 0.00 O ATOM 1392 CB LYS A 86 9.278 -9.413 7.750 1.00 0.00 C ATOM 1393 CG LYS A 86 9.101 -9.759 9.230 1.00 0.00 C ATOM 1394 CD LYS A 86 10.454 -9.847 9.938 1.00 0.00 C ATOM 1395 CE LYS A 86 10.496 -11.039 10.896 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.310 -12.135 10.324 1.00 0.00 N ATOM 0 H LYS A 86 6.714 -8.362 6.413 1.00 0.00 H new ATOM 0 HA LYS A 86 8.379 -9.814 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.183 -9.886 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.409 -8.337 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.483 -9.002 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.575 -10.709 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.250 -9.942 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.640 -8.926 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.914 -10.729 11.854 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.484 -11.393 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.328 -12.936 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.894 -12.442 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.280 -11.798 10.161 1.00 0.00 H new ATOM 1410 N LYS A 87 6.397 -11.609 6.938 1.00 0.00 N ATOM 1411 CA LYS A 87 5.873 -12.949 7.143 1.00 0.00 C ATOM 1412 C LYS A 87 5.180 -13.421 5.863 1.00 0.00 C ATOM 1413 O LYS A 87 3.968 -13.269 5.718 1.00 0.00 O ATOM 1414 CB LYS A 87 4.975 -12.990 8.380 1.00 0.00 C ATOM 1415 CG LYS A 87 5.759 -12.617 9.640 1.00 0.00 C ATOM 1416 CD LYS A 87 6.185 -13.868 10.411 1.00 0.00 C ATOM 1417 CE LYS A 87 6.909 -13.495 11.706 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.576 -14.681 12.288 1.00 0.00 N ATOM 0 H LYS A 87 5.716 -10.934 6.590 1.00 0.00 H new ATOM 0 HA LYS A 87 6.684 -13.649 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.140 -12.302 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.551 -13.988 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.640 -12.037 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.146 -11.982 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.308 -14.473 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.839 -14.478 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.646 -12.717 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.197 -13.083 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.062 -14.410 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.866 -15.411 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.269 -15.057 11.610 1.00 0.00 H new ATOM 1432 N GLU A 88 5.978 -13.985 4.969 1.00 0.00 N ATOM 1433 CA GLU A 88 5.456 -14.481 3.707 1.00 0.00 C ATOM 1434 C GLU A 88 4.087 -15.131 3.917 1.00 0.00 C ATOM 1435 O GLU A 88 3.227 -15.073 3.040 1.00 0.00 O ATOM 1436 CB GLU A 88 6.435 -15.460 3.056 1.00 0.00 C ATOM 1437 CG GLU A 88 7.422 -14.727 2.146 1.00 0.00 C ATOM 1438 CD GLU A 88 7.715 -15.542 0.885 1.00 0.00 C ATOM 1439 OE1 GLU A 88 6.733 -15.910 0.206 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.916 -15.778 0.629 1.00 0.00 O ATOM 0 H GLU A 88 6.983 -14.110 5.093 1.00 0.00 H new ATOM 0 HA GLU A 88 5.334 -13.636 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.981 -16.001 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.883 -16.201 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.013 -13.755 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.350 -14.540 2.686 1.00 0.00 H new ATOM 1447 N LYS A 89 3.928 -15.735 5.086 1.00 0.00 N ATOM 1448 CA LYS A 89 2.678 -16.395 5.422 1.00 0.00 C ATOM 1449 C LYS A 89 1.517 -15.426 5.194 1.00 0.00 C ATOM 1450 O LYS A 89 0.709 -15.622 4.288 1.00 0.00 O ATOM 1451 CB LYS A 89 2.737 -16.962 6.843 1.00 0.00 C ATOM 1452 CG LYS A 89 4.051 -17.708 7.081 1.00 0.00 C ATOM 1453 CD LYS A 89 3.791 -19.157 7.497 1.00 0.00 C ATOM 1454 CE LYS A 89 3.549 -19.260 9.004 1.00 0.00 C ATOM 1455 NZ LYS A 89 4.695 -19.917 9.670 1.00 0.00 N ATOM 0 H LYS A 89 4.644 -15.781 5.811 1.00 0.00 H new ATOM 0 HA LYS A 89 2.511 -17.251 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.638 -16.152 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.897 -17.637 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.654 -17.689 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.626 -17.201 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.926 -19.544 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.643 -19.777 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.399 -18.265 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.637 -19.826 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.514 -19.979 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.820 -20.874 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.558 -19.361 9.504 1.00 0.00 H new ATOM 1469 N ASP A 90 1.470 -14.401 6.033 1.00 0.00 N ATOM 1470 CA ASP A 90 0.421 -13.401 5.934 1.00 0.00 C ATOM 1471 C ASP A 90 0.605 -12.601 4.643 1.00 0.00 C ATOM 1472 O ASP A 90 -0.308 -12.519 3.823 1.00 0.00 O ATOM 1473 CB ASP A 90 0.479 -12.423 7.109 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.450 -12.759 8.277 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.824 -13.948 8.381 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.766 -11.820 9.039 1.00 0.00 O ATOM 0 H ASP A 90 2.142 -14.242 6.784 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.539 -13.918 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.503 -12.384 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.233 -11.426 6.744 1.00 0.00 H new ATOM 1481 N ARG A 91 1.792 -12.030 4.503 1.00 0.00 N ATOM 1482 CA ARG A 91 2.108 -11.239 3.326 1.00 0.00 C ATOM 1483 C ARG A 91 1.510 -11.886 2.075 1.00 0.00 C ATOM 1484 O ARG A 91 0.867 -11.213 1.271 1.00 0.00 O ATOM 1485 CB ARG A 91 3.621 -11.099 3.145 1.00 0.00 C ATOM 1486 CG ARG A 91 4.261 -10.443 4.371 1.00 0.00 C ATOM 1487 CD ARG A 91 5.654 -9.904 4.039 1.00 0.00 C ATOM 1488 NE ARG A 91 6.670 -10.958 4.256 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.870 -10.979 3.660 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.211 -10.004 2.807 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.728 -11.975 3.918 1.00 0.00 N ATOM 0 H ARG A 91 2.547 -12.099 5.185 1.00 0.00 H new ATOM 0 HA ARG A 91 1.677 -10.248 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.064 -12.081 2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.831 -10.502 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.627 -9.630 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.331 -11.169 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.685 -9.566 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.877 -9.039 4.664 1.00 0.00 H new ATOM 0 HE ARG A 91 6.443 -11.716 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.557 -9.246 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.124 -10.020 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.468 -12.717 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.642 -11.991 3.465 1.00 0.00 H new ATOM 1505 N ASN A 92 1.744 -13.184 1.950 1.00 0.00 N ATOM 1506 CA ASN A 92 1.236 -13.930 0.811 1.00 0.00 C ATOM 1507 C ASN A 92 -0.291 -13.839 0.787 1.00 0.00 C ATOM 1508 O ASN A 92 -0.875 -13.398 -0.202 1.00 0.00 O ATOM 1509 CB ASN A 92 1.620 -15.408 0.904 1.00 0.00 C ATOM 1510 CG ASN A 92 3.080 -15.621 0.500 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.629 -14.920 -0.334 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.676 -16.626 1.135 1.00 0.00 N ATOM 0 H ASN A 92 2.279 -13.738 2.619 1.00 0.00 H new ATOM 0 HA ASN A 92 1.669 -13.501 -0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.465 -15.764 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.970 -15.998 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.651 -16.849 0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.158 -17.173 1.822 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.895 -14.262 1.887 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.343 -14.234 2.005 1.00 0.00 C ATOM 1521 C ASP A 93 -2.856 -12.849 1.605 1.00 0.00 C ATOM 1522 O ASP A 93 -3.705 -12.729 0.724 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.784 -14.504 3.445 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.633 -15.955 3.906 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.653 -16.837 3.020 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.502 -16.150 5.134 1.00 0.00 O ATOM 0 H ASP A 93 -0.408 -14.626 2.706 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.749 -15.007 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.206 -13.865 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.829 -14.212 3.550 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.318 -11.839 2.273 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.711 -10.467 1.998 1.00 0.00 C ATOM 1533 C LEU A 94 -2.726 -10.239 0.485 1.00 0.00 C ATOM 1534 O LEU A 94 -3.785 -10.033 -0.104 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.812 -9.490 2.759 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.393 -8.096 3.003 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.835 -8.183 3.506 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.503 -7.290 3.951 1.00 0.00 C ATOM 0 H LEU A 94 -1.614 -11.943 3.003 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.723 -10.280 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.563 -9.932 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.878 -9.381 2.208 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.416 -7.564 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.224 -7.178 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.449 -8.692 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.861 -8.741 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.938 -6.303 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.426 -7.809 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.510 -7.183 3.515 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.537 -10.283 -0.099 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.401 -10.083 -1.532 1.00 0.00 C ATOM 1552 C ILE A 95 -2.542 -10.801 -2.254 1.00 0.00 C ATOM 1553 O ILE A 95 -3.250 -10.197 -3.058 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.009 -10.512 -2.002 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.079 -9.670 -1.334 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.090 -10.471 -3.529 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.373 -10.471 -1.177 1.00 0.00 C ATOM 0 H ILE A 95 -0.660 -10.454 0.394 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.484 -9.025 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 95 0.152 -11.546 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.270 -8.777 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.734 -9.333 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.089 -10.780 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.648 -11.147 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.100 -9.456 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.130 -9.849 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.184 -11.350 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.728 -10.785 -2.159 1.00 0.00 H new ATOM 1569 N THR A 96 -2.686 -12.080 -1.941 1.00 0.00 N ATOM 1570 CA THR A 96 -3.730 -12.887 -2.550 1.00 0.00 C ATOM 1571 C THR A 96 -5.051 -12.116 -2.580 1.00 0.00 C ATOM 1572 O THR A 96 -5.695 -12.022 -3.624 1.00 0.00 O ATOM 1573 CB THR A 96 -3.815 -14.208 -1.782 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.368 -15.184 -2.719 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.258 -14.617 -1.478 1.00 0.00 C ATOM 0 H THR A 96 -2.097 -12.578 -1.273 1.00 0.00 H new ATOM 0 HA THR A 96 -3.498 -13.113 -3.591 1.00 0.00 H new ATOM 0 HB THR A 96 -3.258 -14.122 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.807 -16.040 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.261 -15.560 -0.932 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.735 -13.846 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.807 -14.736 -2.412 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.415 -11.584 -1.423 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.648 -10.824 -1.304 1.00 0.00 C ATOM 1585 C TYR A 97 -6.492 -9.428 -1.910 1.00 0.00 C ATOM 1586 O TYR A 97 -7.348 -8.978 -2.671 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.916 -10.688 0.196 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.891 -9.565 0.555 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -7.420 -8.286 0.775 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.242 -9.830 0.658 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -8.338 -7.229 1.112 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.159 -8.773 0.996 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.662 -7.524 1.206 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.529 -6.526 1.525 1.00 0.00 O ATOM 0 H TYR A 97 -4.878 -11.664 -0.559 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.460 -11.325 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.311 -11.632 0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.971 -10.512 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.363 -8.078 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.611 -10.830 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.983 -6.224 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.218 -8.967 1.081 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.441 -6.883 1.556 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.393 -8.780 -1.550 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.114 -7.445 -2.049 1.00 0.00 C ATOM 1606 C LEU A 98 -5.426 -7.389 -3.546 1.00 0.00 C ATOM 1607 O LEU A 98 -6.168 -6.518 -3.997 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.682 -7.032 -1.704 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.515 -5.642 -1.087 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.017 -4.555 -2.041 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.196 -5.563 0.281 1.00 0.00 C ATOM 0 H LEU A 98 -4.686 -9.156 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.758 -6.714 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.270 -7.767 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.083 -7.079 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.451 -5.465 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.887 -3.577 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.449 -4.596 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.073 -4.718 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.062 -4.564 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.260 -5.770 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.751 -6.298 0.952 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.844 -8.329 -4.275 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.050 -8.398 -5.712 1.00 0.00 C ATOM 1625 C LYS A 99 -6.520 -8.112 -6.026 1.00 0.00 C ATOM 1626 O LYS A 99 -6.825 -7.298 -6.896 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.554 -9.737 -6.261 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.889 -9.879 -7.747 1.00 0.00 C ATOM 1629 CD LYS A 99 -5.224 -11.330 -8.097 1.00 0.00 C ATOM 1630 CE LYS A 99 -3.951 -12.154 -8.297 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.005 -12.890 -9.580 1.00 0.00 N ATOM 0 H LYS A 99 -4.229 -9.050 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.460 -7.634 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.476 -9.816 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.010 -10.554 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.734 -9.237 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.044 -9.542 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.825 -11.770 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.827 -11.359 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.081 -11.498 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.833 -12.857 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.133 -13.444 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.824 -13.530 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.096 -12.214 -10.365 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.391 -8.796 -5.299 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.822 -8.625 -5.489 1.00 0.00 C ATOM 1647 C LYS A 100 -9.272 -7.334 -4.804 1.00 0.00 C ATOM 1648 O LYS A 100 -10.010 -6.541 -5.389 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.577 -9.868 -5.016 1.00 0.00 C ATOM 1650 CG LYS A 100 -11.051 -9.802 -5.421 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.324 -10.681 -6.643 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.696 -10.371 -7.245 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.661 -9.090 -7.984 1.00 0.00 N ATOM 0 H LYS A 100 -7.134 -9.470 -4.577 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.056 -8.522 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.119 -10.760 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.498 -9.956 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.675 -10.126 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.325 -8.770 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.549 -10.519 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.277 -11.732 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.996 -11.176 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.444 -10.321 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.212 -8.376 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.676 -8.768 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.070 -9.224 -8.931 1.00 0.00 H new ATOM 1667 N ALA A 101 -8.810 -7.161 -3.575 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.156 -5.979 -2.804 1.00 0.00 C ATOM 1669 C ALA A 101 -8.974 -4.735 -3.676 1.00 0.00 C ATOM 1670 O ALA A 101 -9.867 -3.893 -3.756 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.304 -5.930 -1.534 1.00 0.00 C ATOM 0 H ALA A 101 -8.198 -7.820 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.201 -6.015 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.564 -5.043 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.492 -6.821 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.249 -5.890 -1.805 1.00 0.00 H new ATOM 1677 N SER A 102 -7.812 -4.659 -4.307 1.00 0.00 N ATOM 1678 CA SER A 102 -7.501 -3.532 -5.171 1.00 0.00 C ATOM 1679 C SER A 102 -8.130 -3.741 -6.550 1.00 0.00 C ATOM 1680 O SER A 102 -8.492 -2.778 -7.223 1.00 0.00 O ATOM 1681 CB SER A 102 -5.989 -3.338 -5.300 1.00 0.00 C ATOM 1682 OG SER A 102 -5.349 -4.484 -5.855 1.00 0.00 O ATOM 0 H SER A 102 -7.074 -5.359 -4.238 1.00 0.00 H new ATOM 0 HA SER A 102 -7.918 -2.631 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.787 -2.470 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.566 -3.126 -4.318 1.00 0.00 H new ATOM 0 HG SER A 102 -5.469 -5.249 -5.254 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.240 -5.006 -6.929 1.00 0.00 N ATOM 1689 CA GLU A 103 -8.819 -5.353 -8.216 1.00 0.00 C ATOM 1690 C GLU A 103 -9.367 -6.781 -8.183 1.00 0.00 C ATOM 1691 O GLU A 103 -10.300 -7.109 -8.915 1.00 0.00 O ATOM 1692 CB GLU A 103 -7.796 -5.184 -9.341 1.00 0.00 C ATOM 1693 CG GLU A 103 -8.409 -5.535 -10.698 1.00 0.00 C ATOM 1694 CD GLU A 103 -7.321 -5.836 -11.730 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -6.255 -5.190 -11.636 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -7.580 -6.705 -12.591 1.00 0.00 O ATOM 0 H GLU A 103 -7.938 -5.803 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.646 -4.672 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.434 -4.156 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.933 -5.823 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.064 -6.400 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.027 -4.708 -11.047 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.200 2.206 3.320 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.969 4.320 1.073 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.648 -0.168 0.885 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.852 -0.207 5.703 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.343 4.512 5.648 1.00 0.00 C HETATM 1709 NA HEC A 104 0.100 2.121 1.422 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.571 3.076 0.604 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.915 2.551 -0.739 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.428 1.310 -0.761 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.048 0.966 0.506 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.507 0.316 -1.982 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.465 3.437 -1.820 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.483 4.631 -2.051 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.057 6.040 -2.043 1.00 0.00 C HETATM 1718 O1A HEC A 104 2.231 6.100 -2.427 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.355 7.010 -1.686 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.676 0.160 3.317 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.021 -0.543 2.169 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.398 -1.877 2.626 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.401 -1.943 3.980 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.993 -0.618 4.365 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.882 -2.979 1.614 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.792 -3.042 4.933 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.924 -4.306 4.828 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.532 2.189 5.328 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.781 1.168 6.194 1.00 0.00 C HETATM 1730 C2C HEC A 104 -1.071 1.503 7.532 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.881 2.839 7.529 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.635 3.280 6.158 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.394 0.608 8.689 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.206 3.920 8.606 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.481 3.637 9.942 1.00 0.00 C HETATM 1736 ND HEC A 104 0.221 4.064 3.375 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.098 4.936 4.451 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.502 6.210 4.072 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.906 6.156 2.792 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.800 4.763 2.364 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.572 7.493 5.019 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.565 7.319 2.010 1.00 0.00 C HETATM 1743 CBD HEC A 104 2.741 6.871 1.174 1.00 0.00 C HETATM 1744 CGD HEC A 104 3.696 5.853 1.769 1.00 0.00 C HETATM 1745 O1D HEC A 104 3.840 5.866 3.021 1.00 0.00 O HETATM 1746 O2D HEC A 104 4.369 5.217 0.926 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.420 7.706 5.417 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.259 7.300 5.843 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.925 8.350 4.445 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.292 0.033 8.464 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.561 -0.073 8.866 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.564 1.212 9.580 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.775 -2.630 1.096 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.094 -3.176 0.887 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.113 -3.896 2.157 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.003 0.753 -2.841 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.551 0.133 -2.235 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.027 -0.626 -1.716 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 2.350 6.458 0.244 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.319 7.757 0.911 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.794 2.666 10.327 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.596 3.632 9.777 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.734 4.413 10.665 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.998 -4.716 3.821 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.115 -4.053 5.041 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.272 -5.047 5.548 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.010 4.477 -3.011 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.290 4.581 -1.284 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 0.821 7.783 1.363 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.896 8.083 2.714 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.450 3.809 -1.537 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.592 2.870 -2.742 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.500 5.322 6.361 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.789 -0.996 6.452 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.870 -0.882 0.092 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.451 4.996 0.366 1.00 0.00 H new HETATM 0 HAB HEC A 104 -2.619 -2.949 5.637 1.00 0.00 H new HETATM 0 H2D HEC A 104 5.280 5.091 1.263 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.518 7.769 -2.284 1.00 0.00 H new