USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=32 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 NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot 121:sc= 0.144 USER MOD Set 1.2: A 104 HEC O2D : rot -93:sc= 1.16 USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -7.06! C(o=-8.1!,f=-7!) USER MOD Set 2.2: A 67 TYR OH : rot -149:sc= 1.41 USER MOD Set 2.3: A 78 THR OG1 : rot 83:sc= 0.791 USER MOD Set 2.4: A 104 HEC O2A : rot 123:sc= -2.12! USER MOD Set 3.1: A 39 HIS :FLIP no HE2:sc= -6.76! C(o=-10!,f=-9.2!) USER MOD Set 3.2: A 56 ASN : amide:sc= -2.39! C(o=-9.2!,f=-11!) USER MOD Set 4.1: A 19 THR OG1 : rot 61:sc= 0.949! USER MOD Set 4.2: A 31 ASN : amide:sc= -5.01! C(o=-4.1!,f=-14!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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+ 156:sc= 0.14 (180deg=-0.368) USER MOD Single : A -5 THR N :NH3+ -155:sc= 0.0912 (180deg=-0.936) USER MOD Single : A -5 THR OG1 : rot 114:sc= 0.352 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 16 GLN : amide:sc= -1.04 K(o=-1,f=-4.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.25 X(o=-2.3,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-8.3!) USER MOD Single : A 40 SER OG : rot -15:sc= 0.306 USER MOD Single : A 42 GLN : amide:sc= -5.9 K(o=-5.9,f=-13!) USER MOD Single : A 47 SER OG : rot 55:sc= 0.325 USER MOD Single : A 48 TYR OH : rot 90:sc= -0.135 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= 0.784 (180deg=0.0158) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.472 F(o=-1.5,f=-0.47) USER MOD Single : A 63 ASN : amide:sc= -3.56! C(o=-3.6!,f=-9.7!) USER MOD Single : A 64 MET CE :methyl -115:sc= -9.59! (180deg=-15.2!) USER MOD Single : A 65 SER OG : rot -168:sc= -2.99! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.66! C(o=-3.7!,f=-7.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -150:sc= -2.38! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -2.16 (180deg=-2.19) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc=-0.00761 (180deg=-0.177) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00397) USER MOD Single : A 92 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.2!) USER MOD Single : A 96 THR OG1 : rot 95:sc= 0.12 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+ 174:sc= 0 (180deg=-0.04) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 8.189 -14.593 -7.523 1.00 0.00 N ATOM 2 CA THR A -5 8.147 -15.808 -8.318 1.00 0.00 C ATOM 3 C THR A -5 7.498 -16.943 -7.524 1.00 0.00 C ATOM 4 O THR A -5 7.486 -16.917 -6.294 1.00 0.00 O ATOM 5 CB THR A -5 9.573 -16.124 -8.774 1.00 0.00 C ATOM 6 OG1 THR A -5 10.318 -16.192 -7.561 1.00 0.00 O ATOM 7 CG2 THR A -5 10.214 -14.964 -9.540 1.00 0.00 C ATOM 0 H1 THR A -5 8.220 -13.766 -8.153 1.00 0.00 H new ATOM 0 H2 THR A -5 7.340 -14.540 -6.925 1.00 0.00 H new ATOM 0 H3 THR A -5 9.037 -14.601 -6.921 1.00 0.00 H new ATOM 0 HA THR A -5 7.527 -15.679 -9.205 1.00 0.00 H new ATOM 0 HB THR A -5 9.564 -17.014 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A -5 10.632 -17.110 -7.421 1.00 0.00 H new ATOM 0 HG21 THR A -5 11.225 -15.241 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A -5 9.620 -14.741 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.254 -14.083 -8.899 1.00 0.00 H new ATOM 15 N GLU A -4 6.973 -17.912 -8.260 1.00 0.00 N ATOM 16 CA GLU A -4 6.324 -19.054 -7.640 1.00 0.00 C ATOM 17 C GLU A -4 5.547 -18.613 -6.398 1.00 0.00 C ATOM 18 O GLU A -4 5.565 -19.296 -5.375 1.00 0.00 O ATOM 19 CB GLU A -4 7.341 -20.142 -7.292 1.00 0.00 C ATOM 20 CG GLU A -4 8.247 -19.699 -6.142 1.00 0.00 C ATOM 21 CD GLU A -4 9.559 -19.115 -6.670 1.00 0.00 C ATOM 22 OE1 GLU A -4 9.528 -18.580 -7.800 1.00 0.00 O ATOM 23 OE2 GLU A -4 10.563 -19.216 -5.933 1.00 0.00 O ATOM 0 H GLU A -4 6.984 -17.929 -9.280 1.00 0.00 H new ATOM 0 HA GLU A -4 5.619 -19.478 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A -4 6.819 -21.058 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A -4 7.947 -20.372 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.732 -18.955 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A -4 8.458 -20.549 -5.493 1.00 0.00 H new ATOM 30 N PHE A -3 4.883 -17.474 -6.527 1.00 0.00 N ATOM 31 CA PHE A -3 4.102 -16.933 -5.428 1.00 0.00 C ATOM 32 C PHE A -3 2.893 -17.821 -5.126 1.00 0.00 C ATOM 33 O PHE A -3 2.223 -18.295 -6.042 1.00 0.00 O ATOM 34 CB PHE A -3 3.609 -15.552 -5.865 1.00 0.00 C ATOM 35 CG PHE A -3 2.311 -15.111 -5.187 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.122 -15.638 -5.586 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.345 -14.193 -4.185 1.00 0.00 C ATOM 38 CE1 PHE A -3 -0.083 -15.228 -4.957 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.140 -13.783 -3.555 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.048 -14.310 -3.954 1.00 0.00 C ATOM 0 H PHE A -3 4.870 -16.910 -7.377 1.00 0.00 H new ATOM 0 HA PHE A -3 4.714 -16.880 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.385 -14.817 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.460 -15.556 -6.945 1.00 0.00 H new ATOM 0 HD1 PHE A -3 1.095 -16.368 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A -3 3.289 -13.775 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -1.027 -15.645 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A -3 1.167 -13.053 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.964 -14.000 -3.474 1.00 0.00 H new ATOM 50 N LYS A -2 2.650 -18.019 -3.839 1.00 0.00 N ATOM 51 CA LYS A -2 1.534 -18.841 -3.405 1.00 0.00 C ATOM 52 C LYS A -2 0.316 -17.950 -3.157 1.00 0.00 C ATOM 53 O LYS A -2 0.417 -16.930 -2.477 1.00 0.00 O ATOM 54 CB LYS A -2 1.931 -19.690 -2.196 1.00 0.00 C ATOM 55 CG LYS A -2 1.491 -21.144 -2.379 1.00 0.00 C ATOM 56 CD LYS A -2 2.681 -22.036 -2.741 1.00 0.00 C ATOM 57 CE LYS A -2 2.897 -22.073 -4.255 1.00 0.00 C ATOM 58 NZ LYS A -2 4.200 -21.466 -4.607 1.00 0.00 N ATOM 0 H LYS A -2 3.208 -17.624 -3.082 1.00 0.00 H new ATOM 0 HA LYS A -2 1.258 -19.550 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.011 -19.648 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.477 -19.280 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A -2 1.027 -21.505 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A -2 0.736 -21.203 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A -2 3.581 -21.665 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.509 -23.046 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A -2 2.862 -23.104 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A -2 2.092 -21.536 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 4.521 -21.840 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 4.095 -20.433 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 4.900 -21.697 -3.873 1.00 0.00 H new ATOM 72 N ALA A -1 -0.808 -18.367 -3.722 1.00 0.00 N ATOM 73 CA ALA A -1 -2.044 -17.618 -3.570 1.00 0.00 C ATOM 74 C ALA A -1 -2.810 -18.147 -2.355 1.00 0.00 C ATOM 75 O ALA A -1 -2.627 -19.295 -1.954 1.00 0.00 O ATOM 76 CB ALA A -1 -2.861 -17.714 -4.860 1.00 0.00 C ATOM 0 H ALA A -1 -0.888 -19.213 -4.285 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.834 -16.563 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.788 -17.152 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.285 -17.300 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -3.093 -18.759 -5.067 1.00 0.00 H new ATOM 82 N GLY A 1 -3.650 -17.284 -1.804 1.00 0.00 N ATOM 83 CA GLY A 1 -4.444 -17.650 -0.643 1.00 0.00 C ATOM 84 C GLY A 1 -5.891 -17.949 -1.040 1.00 0.00 C ATOM 85 O GLY A 1 -6.511 -18.863 -0.499 1.00 0.00 O ATOM 0 H GLY A 1 -3.798 -16.332 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.007 -18.525 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.423 -16.840 0.086 1.00 0.00 H new ATOM 89 N SER A 2 -6.387 -17.161 -1.983 1.00 0.00 N ATOM 90 CA SER A 2 -7.749 -17.331 -2.459 1.00 0.00 C ATOM 91 C SER A 2 -8.718 -16.559 -1.560 1.00 0.00 C ATOM 92 O SER A 2 -9.255 -15.528 -1.961 1.00 0.00 O ATOM 93 CB SER A 2 -8.136 -18.810 -2.508 1.00 0.00 C ATOM 94 OG SER A 2 -8.932 -19.116 -3.650 1.00 0.00 O ATOM 0 H SER A 2 -5.870 -16.404 -2.430 1.00 0.00 H new ATOM 0 HA SER A 2 -7.808 -16.934 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.233 -19.421 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.685 -19.071 -1.603 1.00 0.00 H new ATOM 0 HG SER A 2 -9.157 -20.070 -3.646 1.00 0.00 H new ATOM 100 N ALA A 3 -8.910 -17.088 -0.360 1.00 0.00 N ATOM 101 CA ALA A 3 -9.804 -16.462 0.599 1.00 0.00 C ATOM 102 C ALA A 3 -9.318 -16.766 2.017 1.00 0.00 C ATOM 103 O ALA A 3 -10.122 -16.892 2.939 1.00 0.00 O ATOM 104 CB ALA A 3 -11.235 -16.947 0.356 1.00 0.00 C ATOM 0 H ALA A 3 -8.462 -17.943 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.802 -15.379 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.906 -16.477 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.543 -16.680 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.277 -18.030 0.474 1.00 0.00 H new ATOM 110 N LYS A 4 -8.004 -16.876 2.147 1.00 0.00 N ATOM 111 CA LYS A 4 -7.401 -17.164 3.437 1.00 0.00 C ATOM 112 C LYS A 4 -7.563 -15.949 4.353 1.00 0.00 C ATOM 113 O LYS A 4 -8.440 -15.115 4.134 1.00 0.00 O ATOM 114 CB LYS A 4 -5.948 -17.612 3.262 1.00 0.00 C ATOM 115 CG LYS A 4 -5.847 -18.761 2.257 1.00 0.00 C ATOM 116 CD LYS A 4 -5.586 -20.090 2.969 1.00 0.00 C ATOM 117 CE LYS A 4 -5.930 -21.274 2.063 1.00 0.00 C ATOM 118 NZ LYS A 4 -4.821 -21.545 1.121 1.00 0.00 N ATOM 0 H LYS A 4 -7.340 -16.771 1.380 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.912 -17.998 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.343 -16.772 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.543 -17.928 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.770 -18.828 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.043 -18.560 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.539 -20.148 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.180 -20.141 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.125 -22.159 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.843 -21.061 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.071 -22.351 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.654 -20.705 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.958 -21.769 1.656 1.00 0.00 H new ATOM 132 N LYS A 5 -6.704 -15.888 5.360 1.00 0.00 N ATOM 133 CA LYS A 5 -6.741 -14.790 6.310 1.00 0.00 C ATOM 134 C LYS A 5 -6.153 -13.537 5.658 1.00 0.00 C ATOM 135 O LYS A 5 -5.187 -12.965 6.162 1.00 0.00 O ATOM 136 CB LYS A 5 -6.049 -15.186 7.616 1.00 0.00 C ATOM 137 CG LYS A 5 -7.022 -15.122 8.794 1.00 0.00 C ATOM 138 CD LYS A 5 -7.921 -16.360 8.831 1.00 0.00 C ATOM 139 CE LYS A 5 -7.145 -17.587 9.313 1.00 0.00 C ATOM 140 NZ LYS A 5 -7.922 -18.822 9.063 1.00 0.00 N ATOM 0 H LYS A 5 -5.978 -16.582 5.538 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.771 -14.556 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.646 -16.195 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.205 -14.521 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.464 -15.045 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.636 -14.225 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.769 -16.179 9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.327 -16.549 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.186 -17.643 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.931 -17.494 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.381 -19.646 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.827 -18.772 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.105 -18.917 8.044 1.00 0.00 H new ATOM 154 N GLY A 6 -6.761 -13.146 4.547 1.00 0.00 N ATOM 155 CA GLY A 6 -6.309 -11.972 3.821 1.00 0.00 C ATOM 156 C GLY A 6 -7.198 -10.764 4.125 1.00 0.00 C ATOM 157 O GLY A 6 -6.704 -9.708 4.518 1.00 0.00 O ATOM 0 H GLY A 6 -7.562 -13.622 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.278 -11.747 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.319 -12.176 2.750 1.00 0.00 H new ATOM 161 N ALA A 7 -8.494 -10.959 3.932 1.00 0.00 N ATOM 162 CA ALA A 7 -9.456 -9.900 4.180 1.00 0.00 C ATOM 163 C ALA A 7 -9.325 -9.428 5.630 1.00 0.00 C ATOM 164 O ALA A 7 -9.178 -8.234 5.887 1.00 0.00 O ATOM 165 CB ALA A 7 -10.864 -10.401 3.856 1.00 0.00 C ATOM 0 H ALA A 7 -8.900 -11.836 3.606 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.259 -9.044 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.585 -9.605 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.913 -10.697 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.099 -11.259 4.486 1.00 0.00 H new ATOM 171 N THR A 8 -9.383 -10.390 6.539 1.00 0.00 N ATOM 172 CA THR A 8 -9.273 -10.088 7.956 1.00 0.00 C ATOM 173 C THR A 8 -7.989 -9.304 8.236 1.00 0.00 C ATOM 174 O THR A 8 -7.865 -8.659 9.276 1.00 0.00 O ATOM 175 CB THR A 8 -9.361 -11.405 8.729 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.586 -11.303 9.451 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.294 -11.517 9.820 1.00 0.00 C ATOM 0 H THR A 8 -9.505 -11.379 6.322 1.00 0.00 H new ATOM 0 HA THR A 8 -10.088 -9.445 8.287 1.00 0.00 H new ATOM 0 HB THR A 8 -9.260 -12.240 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.723 -12.117 9.979 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.402 -12.470 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.304 -11.459 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.415 -10.701 10.533 1.00 0.00 H new ATOM 185 N LEU A 9 -7.065 -9.386 7.290 1.00 0.00 N ATOM 186 CA LEU A 9 -5.795 -8.692 7.421 1.00 0.00 C ATOM 187 C LEU A 9 -6.021 -7.188 7.255 1.00 0.00 C ATOM 188 O LEU A 9 -6.051 -6.449 8.238 1.00 0.00 O ATOM 189 CB LEU A 9 -4.766 -9.271 6.449 1.00 0.00 C ATOM 190 CG LEU A 9 -3.352 -9.462 7.004 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.848 -10.882 6.744 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.398 -8.404 6.446 1.00 0.00 C ATOM 0 H LEU A 9 -7.171 -9.923 6.429 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.379 -8.843 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.130 -10.236 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.708 -8.616 5.579 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.388 -9.327 8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.842 -10.991 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.512 -11.598 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.830 -11.071 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.400 -8.562 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.361 -8.484 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.752 -7.412 6.725 1.00 0.00 H new ATOM 204 N PHE A 10 -6.174 -6.780 6.004 1.00 0.00 N ATOM 205 CA PHE A 10 -6.395 -5.377 5.696 1.00 0.00 C ATOM 206 C PHE A 10 -7.279 -4.717 6.756 1.00 0.00 C ATOM 207 O PHE A 10 -7.000 -3.602 7.195 1.00 0.00 O ATOM 208 CB PHE A 10 -7.112 -5.324 4.346 1.00 0.00 C ATOM 209 CG PHE A 10 -7.204 -3.920 3.745 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.071 -3.262 3.377 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.417 -3.329 3.579 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.156 -1.959 2.820 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.502 -2.025 3.021 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.370 -1.368 2.653 1.00 0.00 C ATOM 0 H PHE A 10 -6.149 -7.396 5.192 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.443 -4.846 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.591 -5.975 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.119 -5.724 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.107 -3.731 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.316 -3.851 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.257 -1.437 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.466 -1.556 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.434 -0.377 2.228 1.00 0.00 H new ATOM 224 N LYS A 11 -8.327 -5.433 7.137 1.00 0.00 N ATOM 225 CA LYS A 11 -9.253 -4.930 8.137 1.00 0.00 C ATOM 226 C LYS A 11 -8.468 -4.223 9.244 1.00 0.00 C ATOM 227 O LYS A 11 -8.866 -3.156 9.709 1.00 0.00 O ATOM 228 CB LYS A 11 -10.155 -6.055 8.646 1.00 0.00 C ATOM 229 CG LYS A 11 -11.165 -5.529 9.668 1.00 0.00 C ATOM 230 CD LYS A 11 -12.543 -6.158 9.451 1.00 0.00 C ATOM 231 CE LYS A 11 -13.189 -5.632 8.167 1.00 0.00 C ATOM 232 NZ LYS A 11 -14.145 -6.624 7.624 1.00 0.00 N ATOM 0 H LYS A 11 -8.555 -6.357 6.771 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.922 -4.190 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.684 -6.509 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.546 -6.837 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.815 -5.749 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.239 -4.445 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.447 -7.242 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.186 -5.937 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.705 -4.694 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.418 -5.418 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.574 -6.252 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.643 -7.510 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.890 -6.808 8.326 1.00 0.00 H new ATOM 246 N THR A 12 -7.365 -4.846 9.633 1.00 0.00 N ATOM 247 CA THR A 12 -6.521 -4.290 10.677 1.00 0.00 C ATOM 248 C THR A 12 -5.089 -4.112 10.166 1.00 0.00 C ATOM 249 O THR A 12 -4.630 -4.875 9.317 1.00 0.00 O ATOM 250 CB THR A 12 -6.619 -5.202 11.901 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.214 -6.480 11.416 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.064 -5.418 12.356 1.00 0.00 C ATOM 0 H THR A 12 -7.037 -5.730 9.244 1.00 0.00 H new ATOM 0 HA THR A 12 -6.856 -3.294 10.968 1.00 0.00 H new ATOM 0 HB THR A 12 -6.040 -4.774 12.719 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.247 -7.132 12.146 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.077 -6.072 13.228 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.511 -4.458 12.616 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.635 -5.877 11.549 1.00 0.00 H new ATOM 260 N ARG A 13 -4.425 -3.100 10.704 1.00 0.00 N ATOM 261 CA ARG A 13 -3.055 -2.812 10.313 1.00 0.00 C ATOM 262 C ARG A 13 -3.029 -2.100 8.959 1.00 0.00 C ATOM 263 O ARG A 13 -1.962 -1.900 8.380 1.00 0.00 O ATOM 264 CB ARG A 13 -2.227 -4.095 10.223 1.00 0.00 C ATOM 265 CG ARG A 13 -2.493 -5.005 11.424 1.00 0.00 C ATOM 266 CD ARG A 13 -1.451 -4.782 12.522 1.00 0.00 C ATOM 267 NE ARG A 13 -1.150 -6.062 13.202 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.311 -6.183 14.239 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.316 -5.102 14.723 1.00 0.00 N ATOM 270 NH2 ARG A 13 -0.099 -7.384 14.793 1.00 0.00 N ATOM 0 H ARG A 13 -4.810 -2.469 11.407 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.621 -2.166 11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.468 -4.624 9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.167 -3.845 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.490 -4.810 11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.474 -6.047 11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.540 -4.367 12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.822 -4.055 13.245 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.611 -6.905 12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.154 -4.187 14.302 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.955 -5.194 15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.577 -8.207 14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.540 -7.476 15.583 1.00 0.00 H new ATOM 284 N CYS A 14 -4.215 -1.737 8.494 1.00 0.00 N ATOM 285 CA CYS A 14 -4.341 -1.051 7.219 1.00 0.00 C ATOM 286 C CYS A 14 -5.600 -0.183 7.262 1.00 0.00 C ATOM 287 O CYS A 14 -5.517 1.041 7.178 1.00 0.00 O ATOM 288 CB CYS A 14 -4.366 -2.035 6.047 1.00 0.00 C ATOM 289 SG CYS A 14 -2.859 -2.032 5.009 1.00 0.00 S ATOM 0 H CYS A 14 -5.098 -1.905 8.977 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.469 -0.417 7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.518 -3.041 6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.225 -1.805 5.416 1.00 0.00 H new ATOM 294 N LEU A 15 -6.736 -0.852 7.394 1.00 0.00 N ATOM 295 CA LEU A 15 -8.011 -0.157 7.449 1.00 0.00 C ATOM 296 C LEU A 15 -7.905 1.016 8.426 1.00 0.00 C ATOM 297 O LEU A 15 -8.402 2.107 8.147 1.00 0.00 O ATOM 298 CB LEU A 15 -9.140 -1.134 7.782 1.00 0.00 C ATOM 299 CG LEU A 15 -10.365 -1.081 6.868 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.966 -1.279 5.404 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.427 -2.088 7.314 1.00 0.00 C ATOM 0 H LEU A 15 -6.800 -1.868 7.464 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.260 0.261 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.737 -2.146 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.466 -0.946 8.805 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.809 -0.089 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.856 -1.237 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.274 -0.492 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.484 -2.250 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.287 -2.029 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.010 -3.095 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.741 -1.858 8.332 1.00 0.00 H new ATOM 313 N GLN A 16 -7.255 0.753 9.550 1.00 0.00 N ATOM 314 CA GLN A 16 -7.078 1.773 10.569 1.00 0.00 C ATOM 315 C GLN A 16 -6.542 3.062 9.942 1.00 0.00 C ATOM 316 O GLN A 16 -6.706 4.144 10.503 1.00 0.00 O ATOM 317 CB GLN A 16 -6.153 1.280 11.683 1.00 0.00 C ATOM 318 CG GLN A 16 -4.701 1.224 11.206 1.00 0.00 C ATOM 319 CD GLN A 16 -3.779 0.709 12.314 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.250 -0.389 12.256 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.618 1.560 13.323 1.00 0.00 N ATOM 0 H GLN A 16 -6.844 -0.153 9.777 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.049 1.985 11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.231 1.943 12.545 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.470 0.290 12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.626 0.574 10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.379 2.217 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.090 2.464 13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.022 1.309 14.112 1.00 0.00 H new ATOM 330 N CYS A 17 -5.913 2.903 8.787 1.00 0.00 N ATOM 331 CA CYS A 17 -5.352 4.041 8.078 1.00 0.00 C ATOM 332 C CYS A 17 -6.119 4.214 6.765 1.00 0.00 C ATOM 333 O CYS A 17 -6.736 5.217 6.394 1.00 0.00 O ATOM 334 CB CYS A 17 -3.849 3.876 7.843 1.00 0.00 C ATOM 335 SG CYS A 17 -2.860 3.619 9.361 1.00 0.00 S ATOM 0 H CYS A 17 -5.779 2.004 8.324 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.462 4.941 8.684 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.691 3.029 7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.476 4.762 7.329 1.00 0.00 H new ATOM 340 N HIS A 18 -6.099 3.115 5.928 1.00 0.00 N ATOM 341 CA HIS A 18 -6.450 3.177 4.496 1.00 0.00 C ATOM 342 C HIS A 18 -7.761 2.500 4.122 1.00 0.00 C ATOM 343 O HIS A 18 -8.422 1.797 4.884 1.00 0.00 O ATOM 344 CB HIS A 18 -5.409 2.423 3.657 1.00 0.00 C ATOM 345 CG HIS A 18 -3.962 2.840 3.636 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.485 3.790 2.805 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.881 2.348 4.338 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.257 3.923 3.000 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.787 3.026 3.919 1.00 0.00 N ATOM 0 H HIS A 18 -5.839 2.181 6.244 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.510 4.248 4.301 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.434 1.383 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.759 2.443 2.625 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.037 4.315 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.904 1.567 5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.642 4.658 2.502 1.00 0.00 H new ATOM 357 N THR A 19 -8.103 2.780 2.873 1.00 0.00 N ATOM 358 CA THR A 19 -9.328 2.253 2.296 1.00 0.00 C ATOM 359 C THR A 19 -9.071 1.730 0.882 1.00 0.00 C ATOM 360 O THR A 19 -8.771 2.505 -0.025 1.00 0.00 O ATOM 361 CB THR A 19 -10.389 3.354 2.353 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.036 4.232 1.287 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.265 4.223 3.607 1.00 0.00 C ATOM 0 H THR A 19 -7.553 3.365 2.244 1.00 0.00 H new ATOM 0 HA THR A 19 -9.695 1.397 2.863 1.00 0.00 H new ATOM 0 HB THR A 19 -11.381 2.904 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.069 3.745 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.041 4.988 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.380 3.600 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.285 4.700 3.623 1.00 0.00 H new ATOM 371 N VAL A 20 -9.196 0.419 0.738 1.00 0.00 N ATOM 372 CA VAL A 20 -8.981 -0.217 -0.551 1.00 0.00 C ATOM 373 C VAL A 20 -10.161 0.096 -1.472 1.00 0.00 C ATOM 374 O VAL A 20 -10.005 0.149 -2.691 1.00 0.00 O ATOM 375 CB VAL A 20 -8.751 -1.717 -0.362 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.053 -2.428 0.015 1.00 0.00 C ATOM 377 CG2 VAL A 20 -8.130 -2.339 -1.614 1.00 0.00 C ATOM 0 H VAL A 20 -9.444 -0.221 1.493 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.084 0.178 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.048 -1.847 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.862 -3.493 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.437 -2.013 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.788 -2.284 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.977 -3.406 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.798 -2.193 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.172 -1.862 -1.820 1.00 0.00 H new ATOM 387 N GLU A 21 -11.317 0.295 -0.855 1.00 0.00 N ATOM 388 CA GLU A 21 -12.523 0.601 -1.605 1.00 0.00 C ATOM 389 C GLU A 21 -12.353 1.915 -2.370 1.00 0.00 C ATOM 390 O GLU A 21 -11.483 2.720 -2.042 1.00 0.00 O ATOM 391 CB GLU A 21 -13.743 0.657 -0.683 1.00 0.00 C ATOM 392 CG GLU A 21 -13.664 -0.424 0.397 1.00 0.00 C ATOM 393 CD GLU A 21 -15.060 -0.913 0.787 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.930 -0.919 -0.111 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.226 -1.270 1.973 1.00 0.00 O ATOM 0 H GLU A 21 -11.444 0.250 0.156 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.691 -0.198 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.805 1.640 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.653 0.525 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.069 -1.262 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.155 -0.028 1.276 1.00 0.00 H new ATOM 402 N LYS A 22 -13.199 2.091 -3.375 1.00 0.00 N ATOM 403 CA LYS A 22 -13.153 3.293 -4.189 1.00 0.00 C ATOM 404 C LYS A 22 -13.622 4.487 -3.355 1.00 0.00 C ATOM 405 O LYS A 22 -13.674 4.409 -2.129 1.00 0.00 O ATOM 406 CB LYS A 22 -13.948 3.096 -5.481 1.00 0.00 C ATOM 407 CG LYS A 22 -13.017 3.033 -6.694 1.00 0.00 C ATOM 408 CD LYS A 22 -13.226 4.241 -7.608 1.00 0.00 C ATOM 409 CE LYS A 22 -13.760 3.809 -8.976 1.00 0.00 C ATOM 410 NZ LYS A 22 -13.081 4.557 -10.057 1.00 0.00 N ATOM 0 H LYS A 22 -13.920 1.421 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.130 3.503 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.530 2.177 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.657 3.915 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.980 3.000 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.201 2.115 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.926 4.936 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.283 4.774 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.604 2.739 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.835 3.983 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.455 4.252 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.251 5.576 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.059 4.370 -10.019 1.00 0.00 H new ATOM 424 N GLY A 23 -13.951 5.564 -4.054 1.00 0.00 N ATOM 425 CA GLY A 23 -14.414 6.772 -3.393 1.00 0.00 C ATOM 426 C GLY A 23 -13.662 7.001 -2.080 1.00 0.00 C ATOM 427 O GLY A 23 -14.261 7.384 -1.076 1.00 0.00 O ATOM 0 H GLY A 23 -13.906 5.625 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.272 7.629 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.483 6.696 -3.195 1.00 0.00 H new ATOM 431 N GLY A 24 -12.361 6.756 -2.129 1.00 0.00 N ATOM 432 CA GLY A 24 -11.522 6.931 -0.956 1.00 0.00 C ATOM 433 C GLY A 24 -11.557 8.380 -0.467 1.00 0.00 C ATOM 434 O GLY A 24 -11.175 9.294 -1.196 1.00 0.00 O ATOM 0 H GLY A 24 -11.867 6.438 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.860 6.267 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.496 6.648 -1.193 1.00 0.00 H new ATOM 438 N PRO A 25 -12.032 8.549 0.796 1.00 0.00 N ATOM 439 CA PRO A 25 -12.122 9.872 1.391 1.00 0.00 C ATOM 440 C PRO A 25 -10.741 10.382 1.805 1.00 0.00 C ATOM 441 O PRO A 25 -10.564 11.574 2.054 1.00 0.00 O ATOM 442 CB PRO A 25 -13.073 9.711 2.566 1.00 0.00 C ATOM 443 CG PRO A 25 -13.114 8.221 2.867 1.00 0.00 C ATOM 444 CD PRO A 25 -12.494 7.490 1.688 1.00 0.00 C ATOM 0 HA PRO A 25 -12.495 10.622 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.724 10.275 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.066 10.087 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.566 8.001 3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.141 7.891 3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.669 6.853 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.222 6.846 1.194 1.00 0.00 H new ATOM 452 N HIS A 26 -9.796 9.455 1.865 1.00 0.00 N ATOM 453 CA HIS A 26 -8.436 9.796 2.245 1.00 0.00 C ATOM 454 C HIS A 26 -8.396 10.175 3.727 1.00 0.00 C ATOM 455 O HIS A 26 -8.867 11.245 4.110 1.00 0.00 O ATOM 456 CB HIS A 26 -7.878 10.894 1.337 1.00 0.00 C ATOM 457 CG HIS A 26 -7.898 10.546 -0.132 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.775 9.248 -0.596 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.030 11.339 -1.234 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.831 9.270 -1.920 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.988 10.567 -2.313 1.00 0.00 N ATOM 0 H HIS A 26 -9.946 8.468 1.657 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.789 8.929 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.454 11.806 1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.852 11.111 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.149 12.412 -1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.764 8.412 -2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.061 10.890 -3.278 1.00 0.00 H new ATOM 469 N LYS A 27 -7.830 9.277 4.519 1.00 0.00 N ATOM 470 CA LYS A 27 -7.723 9.503 5.951 1.00 0.00 C ATOM 471 C LYS A 27 -6.246 9.594 6.339 1.00 0.00 C ATOM 472 O LYS A 27 -5.621 10.641 6.178 1.00 0.00 O ATOM 473 CB LYS A 27 -8.497 8.433 6.722 1.00 0.00 C ATOM 474 CG LYS A 27 -9.923 8.899 7.026 1.00 0.00 C ATOM 475 CD LYS A 27 -10.871 7.707 7.167 1.00 0.00 C ATOM 476 CE LYS A 27 -11.888 7.945 8.285 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.267 6.664 8.922 1.00 0.00 N ATOM 0 H LYS A 27 -7.440 8.391 4.197 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.183 10.453 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.528 7.512 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.979 8.205 7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.930 9.484 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.273 9.554 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.393 7.540 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.297 6.805 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.466 8.618 9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.775 8.433 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.958 6.843 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.689 6.034 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.421 6.213 9.325 1.00 0.00 H new ATOM 491 N VAL A 28 -5.730 8.482 6.843 1.00 0.00 N ATOM 492 CA VAL A 28 -4.339 8.423 7.256 1.00 0.00 C ATOM 493 C VAL A 28 -3.458 8.174 6.030 1.00 0.00 C ATOM 494 O VAL A 28 -2.329 8.659 5.962 1.00 0.00 O ATOM 495 CB VAL A 28 -4.160 7.363 8.345 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.702 7.285 8.800 1.00 0.00 C ATOM 497 CG2 VAL A 28 -5.091 7.633 9.529 1.00 0.00 C ATOM 0 H VAL A 28 -6.251 7.615 6.974 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.030 9.373 7.692 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.429 6.396 7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.603 6.524 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.070 7.024 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.393 8.251 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.945 6.866 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.866 8.612 9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.127 7.614 9.189 1.00 0.00 H new ATOM 507 N GLY A 29 -4.007 7.418 5.090 1.00 0.00 N ATOM 508 CA GLY A 29 -3.285 7.098 3.870 1.00 0.00 C ATOM 509 C GLY A 29 -4.207 7.178 2.651 1.00 0.00 C ATOM 510 O GLY A 29 -5.428 7.137 2.789 1.00 0.00 O ATOM 0 H GLY A 29 -4.943 7.018 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.450 7.788 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.862 6.096 3.945 1.00 0.00 H new ATOM 514 N PRO A 30 -3.569 7.292 1.455 1.00 0.00 N ATOM 515 CA PRO A 30 -4.318 7.378 0.213 1.00 0.00 C ATOM 516 C PRO A 30 -4.885 6.012 -0.180 1.00 0.00 C ATOM 517 O PRO A 30 -4.240 4.985 0.027 1.00 0.00 O ATOM 518 CB PRO A 30 -3.332 7.927 -0.804 1.00 0.00 C ATOM 519 CG PRO A 30 -1.950 7.691 -0.214 1.00 0.00 C ATOM 520 CD PRO A 30 -2.124 7.343 1.255 1.00 0.00 C ATOM 0 HA PRO A 30 -5.190 8.027 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.439 7.421 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.505 8.988 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.443 6.882 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.331 8.581 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.657 6.387 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.662 8.093 1.897 1.00 0.00 H new ATOM 528 N ASN A 31 -6.085 6.044 -0.741 1.00 0.00 N ATOM 529 CA ASN A 31 -6.745 4.822 -1.166 1.00 0.00 C ATOM 530 C ASN A 31 -5.725 3.904 -1.841 1.00 0.00 C ATOM 531 O ASN A 31 -4.747 4.376 -2.420 1.00 0.00 O ATOM 532 CB ASN A 31 -7.856 5.118 -2.176 1.00 0.00 C ATOM 533 CG ASN A 31 -9.079 4.235 -1.920 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.950 4.551 -1.127 1.00 0.00 O ATOM 535 ND2 ASN A 31 -9.096 3.114 -2.635 1.00 0.00 N ATOM 0 H ASN A 31 -6.617 6.897 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.176 4.348 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.141 6.168 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.487 4.950 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.871 2.458 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.334 2.910 -3.282 1.00 0.00 H new ATOM 542 N LEU A 32 -5.987 2.609 -1.746 1.00 0.00 N ATOM 543 CA LEU A 32 -5.104 1.620 -2.340 1.00 0.00 C ATOM 544 C LEU A 32 -5.925 0.665 -3.209 1.00 0.00 C ATOM 545 O LEU A 32 -5.806 -0.553 -3.082 1.00 0.00 O ATOM 546 CB LEU A 32 -4.283 0.916 -1.259 1.00 0.00 C ATOM 547 CG LEU A 32 -3.414 1.819 -0.381 1.00 0.00 C ATOM 548 CD1 LEU A 32 -2.851 1.046 0.813 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.310 2.486 -1.203 1.00 0.00 C ATOM 0 H LEU A 32 -6.799 2.221 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.378 2.102 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.966 0.364 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.638 0.182 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.044 2.614 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.237 1.711 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.672 0.659 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.242 0.216 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.707 3.122 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.677 1.720 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.758 3.092 -1.990 1.00 0.00 H new ATOM 561 N HIS A 33 -6.740 1.254 -4.072 1.00 0.00 N ATOM 562 CA HIS A 33 -7.581 0.470 -4.961 1.00 0.00 C ATOM 563 C HIS A 33 -6.743 -0.621 -5.631 1.00 0.00 C ATOM 564 O HIS A 33 -6.168 -0.401 -6.696 1.00 0.00 O ATOM 565 CB HIS A 33 -8.294 1.373 -5.969 1.00 0.00 C ATOM 566 CG HIS A 33 -9.741 1.009 -6.203 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.191 0.443 -7.384 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.834 1.135 -5.396 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.496 0.243 -7.281 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.893 0.673 -6.049 1.00 0.00 N ATOM 0 H HIS A 33 -6.836 2.264 -4.175 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.364 -0.024 -4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.241 2.404 -5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.761 1.331 -6.919 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -9.615 0.218 -8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.837 1.542 -4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.134 -0.186 -8.040 1.00 0.00 H new ATOM 578 N GLY A 34 -6.700 -1.773 -4.979 1.00 0.00 N ATOM 579 CA GLY A 34 -5.943 -2.899 -5.498 1.00 0.00 C ATOM 580 C GLY A 34 -4.819 -2.424 -6.422 1.00 0.00 C ATOM 581 O GLY A 34 -4.672 -2.927 -7.535 1.00 0.00 O ATOM 0 H GLY A 34 -7.177 -1.951 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.522 -3.471 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.608 -3.569 -6.043 1.00 0.00 H new ATOM 585 N ILE A 35 -4.056 -1.461 -5.927 1.00 0.00 N ATOM 586 CA ILE A 35 -2.951 -0.912 -6.695 1.00 0.00 C ATOM 587 C ILE A 35 -2.258 -2.041 -7.460 1.00 0.00 C ATOM 588 O ILE A 35 -1.762 -2.992 -6.857 1.00 0.00 O ATOM 589 CB ILE A 35 -2.011 -0.118 -5.787 1.00 0.00 C ATOM 590 CG1 ILE A 35 -1.477 -0.992 -4.650 1.00 0.00 C ATOM 591 CG2 ILE A 35 -2.693 1.149 -5.265 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.492 -1.085 -3.508 1.00 0.00 C ATOM 0 H ILE A 35 -4.181 -1.047 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.317 -0.201 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.152 0.199 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.256 -1.990 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.541 -0.577 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.003 1.695 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.982 1.780 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.581 0.876 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.088 -1.712 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.693 -0.087 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.419 -1.522 -3.880 1.00 0.00 H new ATOM 604 N PHE A 36 -2.246 -1.899 -8.778 1.00 0.00 N ATOM 605 CA PHE A 36 -1.622 -2.895 -9.632 1.00 0.00 C ATOM 606 C PHE A 36 -1.713 -2.489 -11.104 1.00 0.00 C ATOM 607 O PHE A 36 -2.806 -2.275 -11.627 1.00 0.00 O ATOM 608 CB PHE A 36 -2.389 -4.204 -9.428 1.00 0.00 C ATOM 609 CG PHE A 36 -1.946 -4.999 -8.198 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.622 -5.139 -7.919 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.877 -5.565 -7.383 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.212 -5.877 -6.777 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.466 -6.302 -6.241 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.142 -6.443 -5.963 1.00 0.00 C ATOM 0 H PHE A 36 -2.658 -1.109 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.568 -2.997 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.452 -3.980 -9.340 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.267 -4.827 -10.314 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.117 -4.689 -8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.928 -5.454 -7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.839 -5.989 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.205 -6.751 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.829 -7.005 -5.095 1.00 0.00 H new ATOM 624 N GLY A 37 -0.550 -2.395 -11.732 1.00 0.00 N ATOM 625 CA GLY A 37 -0.485 -2.018 -13.134 1.00 0.00 C ATOM 626 C GLY A 37 -0.169 -0.529 -13.287 1.00 0.00 C ATOM 627 O GLY A 37 -0.159 -0.005 -14.400 1.00 0.00 O ATOM 0 H GLY A 37 0.355 -2.573 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.279 -2.609 -13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.434 -2.244 -13.619 1.00 0.00 H new ATOM 631 N ARG A 38 0.080 0.110 -12.154 1.00 0.00 N ATOM 632 CA ARG A 38 0.395 1.528 -12.148 1.00 0.00 C ATOM 633 C ARG A 38 1.764 1.766 -11.506 1.00 0.00 C ATOM 634 O ARG A 38 2.397 0.829 -11.022 1.00 0.00 O ATOM 635 CB ARG A 38 -0.664 2.325 -11.384 1.00 0.00 C ATOM 636 CG ARG A 38 -1.907 2.553 -12.247 1.00 0.00 C ATOM 637 CD ARG A 38 -1.520 2.987 -13.662 1.00 0.00 C ATOM 638 NE ARG A 38 -2.646 3.706 -14.297 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.650 3.104 -14.950 1.00 0.00 C ATOM 640 NH1 ARG A 38 -3.672 1.769 -15.059 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.630 3.837 -15.495 1.00 0.00 N ATOM 0 H ARG A 38 0.070 -0.328 -11.233 1.00 0.00 H new ATOM 0 HA ARG A 38 0.412 1.867 -13.184 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.941 1.791 -10.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.250 3.285 -11.076 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.496 1.637 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.538 3.315 -11.789 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.641 3.631 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.252 2.115 -14.258 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.659 4.724 -14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.925 1.211 -14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.436 1.310 -15.556 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.612 4.854 -15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.394 3.379 -15.992 1.00 0.00 H new ATOM 655 N HIS A 39 2.179 3.024 -11.523 1.00 0.00 N ATOM 656 CA HIS A 39 3.461 3.396 -10.949 1.00 0.00 C ATOM 657 C HIS A 39 3.240 4.065 -9.591 1.00 0.00 C ATOM 658 O HIS A 39 2.638 5.135 -9.512 1.00 0.00 O ATOM 659 CB HIS A 39 4.257 4.272 -11.918 1.00 0.00 C ATOM 660 CG HIS A 39 4.737 3.544 -13.151 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.724 2.617 -13.312 1.00 0.00 N flip ATOM 662 CD2 HIS A 39 4.181 3.743 -14.403 1.00 0.00 C flip ATOM 663 CE1 HIS A 39 5.769 2.268 -14.592 1.00 0.00 C flip ATOM 664 NE2 HIS A 39 4.813 2.965 -15.270 1.00 0.00 N flip ATOM 0 H HIS A 39 1.651 3.798 -11.925 1.00 0.00 H new ATOM 0 HA HIS A 39 4.062 2.502 -10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.636 5.114 -12.224 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.119 4.685 -11.394 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.326 2.253 -12.573 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.370 4.418 -14.634 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.450 1.550 -15.025 1.00 0.00 H new ATOM 672 N SER A 40 3.739 3.407 -8.555 1.00 0.00 N ATOM 673 CA SER A 40 3.603 3.925 -7.204 1.00 0.00 C ATOM 674 C SER A 40 2.223 4.561 -7.023 1.00 0.00 C ATOM 675 O SER A 40 1.290 4.248 -7.761 1.00 0.00 O ATOM 676 CB SER A 40 4.702 4.942 -6.891 1.00 0.00 C ATOM 677 OG SER A 40 4.530 6.154 -7.620 1.00 0.00 O ATOM 0 H SER A 40 4.238 2.520 -8.624 1.00 0.00 H new ATOM 0 HA SER A 40 3.706 3.093 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.702 5.158 -5.823 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.674 4.510 -7.129 1.00 0.00 H new ATOM 0 HG SER A 40 3.890 6.010 -8.348 1.00 0.00 H new ATOM 683 N GLY A 41 2.138 5.443 -6.038 1.00 0.00 N ATOM 684 CA GLY A 41 0.888 6.126 -5.751 1.00 0.00 C ATOM 685 C GLY A 41 0.376 6.872 -6.985 1.00 0.00 C ATOM 686 O GLY A 41 1.101 7.667 -7.580 1.00 0.00 O ATOM 0 H GLY A 41 2.914 5.700 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.141 5.403 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.033 6.829 -4.931 1.00 0.00 H new ATOM 690 N GLN A 42 -0.871 6.589 -7.332 1.00 0.00 N ATOM 691 CA GLN A 42 -1.490 7.224 -8.484 1.00 0.00 C ATOM 692 C GLN A 42 -2.737 8.000 -8.057 1.00 0.00 C ATOM 693 O GLN A 42 -3.805 7.837 -8.644 1.00 0.00 O ATOM 694 CB GLN A 42 -1.829 6.192 -9.562 1.00 0.00 C ATOM 695 CG GLN A 42 -0.576 5.779 -10.338 1.00 0.00 C ATOM 696 CD GLN A 42 -0.895 5.565 -11.819 1.00 0.00 C ATOM 697 OE1 GLN A 42 -2.037 5.407 -12.219 1.00 0.00 O ATOM 698 NE2 GLN A 42 0.175 5.568 -12.609 1.00 0.00 N ATOM 0 H GLN A 42 -1.470 5.929 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.777 7.929 -8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.282 5.314 -9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.566 6.607 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.190 6.547 -10.235 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.167 4.862 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.103 5.706 -12.210 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.067 5.433 -13.614 1.00 0.00 H new ATOM 707 N ALA A 43 -2.559 8.828 -7.038 1.00 0.00 N ATOM 708 CA ALA A 43 -3.657 9.630 -6.525 1.00 0.00 C ATOM 709 C ALA A 43 -3.224 11.096 -6.458 1.00 0.00 C ATOM 710 O ALA A 43 -2.152 11.408 -5.942 1.00 0.00 O ATOM 711 CB ALA A 43 -4.092 9.088 -5.162 1.00 0.00 C ATOM 0 H ALA A 43 -1.671 8.961 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.519 9.571 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.916 9.690 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.417 8.053 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.253 9.135 -4.467 1.00 0.00 H new ATOM 717 N GLU A 44 -4.080 11.957 -6.988 1.00 0.00 N ATOM 718 CA GLU A 44 -3.799 13.383 -6.995 1.00 0.00 C ATOM 719 C GLU A 44 -4.530 14.074 -5.842 1.00 0.00 C ATOM 720 O GLU A 44 -3.917 14.796 -5.058 1.00 0.00 O ATOM 721 CB GLU A 44 -4.179 14.010 -8.339 1.00 0.00 C ATOM 722 CG GLU A 44 -3.812 15.495 -8.374 1.00 0.00 C ATOM 723 CD GLU A 44 -4.246 16.136 -9.694 1.00 0.00 C ATOM 724 OE1 GLU A 44 -3.565 15.866 -10.707 1.00 0.00 O ATOM 725 OE2 GLU A 44 -5.250 16.880 -9.659 1.00 0.00 O ATOM 0 H GLU A 44 -4.968 11.695 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.727 13.523 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.667 13.486 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.249 13.892 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.289 16.011 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.736 15.610 -8.246 1.00 0.00 H new ATOM 732 N GLY A 45 -5.830 13.827 -5.776 1.00 0.00 N ATOM 733 CA GLY A 45 -6.651 14.417 -4.731 1.00 0.00 C ATOM 734 C GLY A 45 -5.898 14.460 -3.401 1.00 0.00 C ATOM 735 O GLY A 45 -5.862 15.495 -2.737 1.00 0.00 O ATOM 0 H GLY A 45 -6.335 13.227 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.944 15.426 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.568 13.840 -4.615 1.00 0.00 H new ATOM 739 N TYR A 46 -5.314 13.323 -3.050 1.00 0.00 N ATOM 740 CA TYR A 46 -4.563 13.218 -1.811 1.00 0.00 C ATOM 741 C TYR A 46 -3.161 13.810 -1.968 1.00 0.00 C ATOM 742 O TYR A 46 -2.396 13.383 -2.832 1.00 0.00 O ATOM 743 CB TYR A 46 -4.443 11.722 -1.516 1.00 0.00 C ATOM 744 CG TYR A 46 -4.174 11.397 -0.045 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.208 12.095 0.650 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.898 10.406 0.586 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.954 11.790 2.034 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.644 10.100 1.970 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.685 10.807 2.626 1.00 0.00 C ATOM 750 OH TYR A 46 -3.446 10.519 3.933 1.00 0.00 O ATOM 0 H TYR A 46 -5.346 12.466 -3.603 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.064 13.762 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.364 11.226 -1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.638 11.306 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.642 12.871 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.655 9.860 0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.201 12.329 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.203 9.326 2.476 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.269 10.642 4.451 1.00 0.00 H new ATOM 760 N SER A 47 -2.865 14.782 -1.118 1.00 0.00 N ATOM 761 CA SER A 47 -1.568 15.436 -1.151 1.00 0.00 C ATOM 762 C SER A 47 -0.470 14.441 -0.771 1.00 0.00 C ATOM 763 O SER A 47 -0.042 14.393 0.382 1.00 0.00 O ATOM 764 CB SER A 47 -1.536 16.645 -0.214 1.00 0.00 C ATOM 765 OG SER A 47 -1.947 16.307 1.108 1.00 0.00 O ATOM 0 H SER A 47 -3.501 15.133 -0.402 1.00 0.00 H new ATOM 0 HA SER A 47 -1.391 15.792 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.527 17.055 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.187 17.426 -0.607 1.00 0.00 H new ATOM 0 HG SER A 47 -1.397 15.568 1.443 1.00 0.00 H new ATOM 771 N TYR A 48 -0.045 13.670 -1.761 1.00 0.00 N ATOM 772 CA TYR A 48 0.995 12.679 -1.544 1.00 0.00 C ATOM 773 C TYR A 48 2.308 13.343 -1.125 1.00 0.00 C ATOM 774 O TYR A 48 2.353 14.553 -0.905 1.00 0.00 O ATOM 775 CB TYR A 48 1.198 11.980 -2.890 1.00 0.00 C ATOM 776 CG TYR A 48 0.527 10.608 -2.986 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.844 10.518 -3.110 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.294 9.461 -2.949 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.476 9.227 -3.200 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.662 8.170 -3.040 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.691 8.116 -3.161 1.00 0.00 C ATOM 782 OH TYR A 48 -1.287 6.897 -3.246 1.00 0.00 O ATOM 0 H TYR A 48 -0.402 13.712 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 48 0.707 11.988 -0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.809 12.620 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.267 11.864 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.444 11.416 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.367 9.532 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.548 9.143 -3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.250 7.265 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.351 6.629 -4.186 1.00 0.00 H new ATOM 792 N THR A 49 3.344 12.524 -1.027 1.00 0.00 N ATOM 793 CA THR A 49 4.654 13.017 -0.638 1.00 0.00 C ATOM 794 C THR A 49 5.615 12.973 -1.828 1.00 0.00 C ATOM 795 O THR A 49 5.255 12.500 -2.905 1.00 0.00 O ATOM 796 CB THR A 49 5.133 12.195 0.560 1.00 0.00 C ATOM 797 OG1 THR A 49 5.491 10.936 -0.003 1.00 0.00 O ATOM 798 CG2 THR A 49 3.998 11.860 1.530 1.00 0.00 C ATOM 0 H THR A 49 3.303 11.521 -1.210 1.00 0.00 H new ATOM 0 HA THR A 49 4.608 14.063 -0.335 1.00 0.00 H new ATOM 0 HB THR A 49 5.913 12.744 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.815 10.341 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.391 11.276 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.559 12.783 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.234 11.282 1.010 1.00 0.00 H new ATOM 806 N ASP A 50 6.820 13.472 -1.594 1.00 0.00 N ATOM 807 CA ASP A 50 7.836 13.496 -2.632 1.00 0.00 C ATOM 808 C ASP A 50 8.761 12.289 -2.462 1.00 0.00 C ATOM 809 O ASP A 50 9.898 12.303 -2.930 1.00 0.00 O ATOM 810 CB ASP A 50 8.689 14.762 -2.540 1.00 0.00 C ATOM 811 CG ASP A 50 8.563 15.715 -3.730 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.447 16.245 -3.918 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.587 15.892 -4.426 1.00 0.00 O ATOM 0 H ASP A 50 7.116 13.863 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 50 7.331 13.471 -3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.416 15.300 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.734 14.471 -2.436 1.00 0.00 H new ATOM 818 N ALA A 51 8.238 11.273 -1.791 1.00 0.00 N ATOM 819 CA ALA A 51 9.003 10.060 -1.554 1.00 0.00 C ATOM 820 C ALA A 51 8.348 8.895 -2.297 1.00 0.00 C ATOM 821 O ALA A 51 8.987 8.240 -3.119 1.00 0.00 O ATOM 822 CB ALA A 51 9.105 9.808 -0.048 1.00 0.00 C ATOM 0 H ALA A 51 7.294 11.265 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 51 10.018 10.165 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.679 8.898 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.604 10.651 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.105 9.694 0.370 1.00 0.00 H new ATOM 828 N ASN A 52 7.080 8.673 -1.983 1.00 0.00 N ATOM 829 CA ASN A 52 6.331 7.598 -2.612 1.00 0.00 C ATOM 830 C ASN A 52 6.231 7.863 -4.115 1.00 0.00 C ATOM 831 O ASN A 52 6.946 7.250 -4.906 1.00 0.00 O ATOM 832 CB ASN A 52 4.910 7.515 -2.050 1.00 0.00 C ATOM 833 CG ASN A 52 4.680 6.184 -1.333 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.770 6.260 -0.008 1.00 0.00 O flip ATOM 835 ND2 ASN A 52 4.437 5.155 -1.942 1.00 0.00 N flip ATOM 0 H ASN A 52 6.553 9.219 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 52 6.853 6.662 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.741 8.339 -1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.188 7.625 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.382 5.166 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.289 4.284 -1.433 1.00 0.00 H new ATOM 842 N ILE A 53 5.337 8.776 -4.464 1.00 0.00 N ATOM 843 CA ILE A 53 5.134 9.130 -5.859 1.00 0.00 C ATOM 844 C ILE A 53 6.486 9.169 -6.573 1.00 0.00 C ATOM 845 O ILE A 53 6.577 8.849 -7.757 1.00 0.00 O ATOM 846 CB ILE A 53 4.341 10.434 -5.971 1.00 0.00 C ATOM 847 CG1 ILE A 53 2.849 10.191 -5.736 1.00 0.00 C ATOM 848 CG2 ILE A 53 4.606 11.123 -7.311 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.087 11.513 -5.633 1.00 0.00 C ATOM 0 H ILE A 53 4.745 9.282 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 53 4.531 8.373 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 53 4.683 11.110 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.441 9.595 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.711 9.615 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.030 12.047 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.668 11.351 -7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.308 10.462 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.029 11.311 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.481 12.096 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.207 12.075 -6.559 1.00 0.00 H new ATOM 861 N LYS A 54 7.504 9.565 -5.822 1.00 0.00 N ATOM 862 CA LYS A 54 8.848 9.651 -6.369 1.00 0.00 C ATOM 863 C LYS A 54 9.517 8.277 -6.283 1.00 0.00 C ATOM 864 O LYS A 54 10.656 8.164 -5.834 1.00 0.00 O ATOM 865 CB LYS A 54 9.638 10.763 -5.677 1.00 0.00 C ATOM 866 CG LYS A 54 8.925 12.110 -5.817 1.00 0.00 C ATOM 867 CD LYS A 54 9.314 12.803 -7.124 1.00 0.00 C ATOM 868 CE LYS A 54 8.759 14.228 -7.175 1.00 0.00 C ATOM 869 NZ LYS A 54 9.862 15.214 -7.191 1.00 0.00 N ATOM 0 H LYS A 54 7.425 9.830 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 54 8.813 9.925 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.764 10.522 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.636 10.829 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.846 11.959 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.180 12.750 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.400 12.828 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.934 12.231 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.140 14.352 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.117 14.406 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.614 16.002 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.017 15.577 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.731 14.757 -7.533 1.00 0.00 H new ATOM 883 N LYS A 55 8.780 7.267 -6.722 1.00 0.00 N ATOM 884 CA LYS A 55 9.287 5.906 -6.701 1.00 0.00 C ATOM 885 C LYS A 55 8.917 5.208 -8.011 1.00 0.00 C ATOM 886 O LYS A 55 9.759 4.563 -8.634 1.00 0.00 O ATOM 887 CB LYS A 55 8.796 5.171 -5.452 1.00 0.00 C ATOM 888 CG LYS A 55 9.689 3.969 -5.137 1.00 0.00 C ATOM 889 CD LYS A 55 11.062 4.422 -4.635 1.00 0.00 C ATOM 890 CE LYS A 55 12.106 4.344 -5.750 1.00 0.00 C ATOM 891 NZ LYS A 55 13.173 3.381 -5.395 1.00 0.00 N ATOM 0 H LYS A 55 7.835 7.364 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 55 10.375 5.906 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.787 5.855 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.770 4.837 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.211 3.344 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.809 3.356 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.998 5.444 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.372 3.797 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.629 4.040 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.539 5.330 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.873 3.340 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.639 3.687 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.757 2.438 -5.255 1.00 0.00 H new ATOM 905 N ASN A 56 7.656 5.359 -8.389 1.00 0.00 N ATOM 906 CA ASN A 56 7.164 4.751 -9.613 1.00 0.00 C ATOM 907 C ASN A 56 7.171 3.228 -9.460 1.00 0.00 C ATOM 908 O ASN A 56 6.985 2.502 -10.435 1.00 0.00 O ATOM 909 CB ASN A 56 8.055 5.110 -10.804 1.00 0.00 C ATOM 910 CG ASN A 56 7.226 5.682 -11.956 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.194 5.152 -13.054 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.560 6.791 -11.645 1.00 0.00 N ATOM 0 H ASN A 56 6.960 5.894 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 56 6.155 5.123 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.806 5.838 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.591 4.223 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.978 7.250 -12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.631 7.182 -10.706 1.00 0.00 H new ATOM 919 N VAL A 57 7.387 2.790 -8.229 1.00 0.00 N ATOM 920 CA VAL A 57 7.421 1.368 -7.935 1.00 0.00 C ATOM 921 C VAL A 57 6.169 0.703 -8.512 1.00 0.00 C ATOM 922 O VAL A 57 5.134 0.641 -7.851 1.00 0.00 O ATOM 923 CB VAL A 57 7.575 1.147 -6.429 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.535 1.953 -5.648 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.490 -0.340 -6.081 1.00 0.00 C ATOM 0 H VAL A 57 7.540 3.396 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 57 8.285 0.901 -8.408 1.00 0.00 H new ATOM 0 HB VAL A 57 8.563 1.503 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.666 1.778 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.663 3.014 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.534 1.641 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.603 -0.469 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.522 -0.732 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.284 -0.880 -6.596 1.00 0.00 H new ATOM 935 N LEU A 58 6.306 0.222 -9.739 1.00 0.00 N ATOM 936 CA LEU A 58 5.199 -0.436 -10.412 1.00 0.00 C ATOM 937 C LEU A 58 4.679 -1.576 -9.534 1.00 0.00 C ATOM 938 O LEU A 58 5.397 -2.540 -9.272 1.00 0.00 O ATOM 939 CB LEU A 58 5.614 -0.882 -11.816 1.00 0.00 C ATOM 940 CG LEU A 58 4.485 -1.005 -12.841 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.846 0.356 -13.119 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.980 -1.678 -14.123 1.00 0.00 C ATOM 0 H LEU A 58 7.166 0.275 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 58 4.372 0.260 -10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.349 -0.174 -12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.113 -1.848 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 58 3.709 -1.645 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.047 0.240 -13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.435 0.761 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.600 1.039 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.158 -1.753 -14.835 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.784 -1.085 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.351 -2.676 -13.890 1.00 0.00 H new ATOM 954 N TRP A 59 3.435 -1.428 -9.103 1.00 0.00 N ATOM 955 CA TRP A 59 2.810 -2.433 -8.260 1.00 0.00 C ATOM 956 C TRP A 59 2.329 -3.573 -9.160 1.00 0.00 C ATOM 957 O TRP A 59 1.479 -3.369 -10.026 1.00 0.00 O ATOM 958 CB TRP A 59 1.688 -1.822 -7.418 1.00 0.00 C ATOM 959 CG TRP A 59 2.103 -0.570 -6.643 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.594 0.666 -6.738 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.141 -0.482 -5.644 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.225 1.541 -5.878 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.195 0.821 -5.191 1.00 0.00 C ATOM 964 CE3 TRP A 59 4.005 -1.469 -5.140 1.00 0.00 C ATOM 965 CZ2 TRP A 59 4.098 1.255 -4.213 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.901 -1.020 -4.163 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.968 0.288 -3.696 1.00 0.00 C ATOM 0 H TRP A 59 2.843 -0.627 -9.322 1.00 0.00 H new ATOM 0 HA TRP A 59 3.526 -2.834 -7.543 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.852 -1.572 -8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.328 -2.571 -6.713 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.790 0.943 -7.404 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.018 2.534 -5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.980 -2.494 -5.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.122 2.281 -3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.588 -1.739 -3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.688 0.557 -2.938 1.00 0.00 H new ATOM 978 N ASP A 60 2.893 -4.749 -8.925 1.00 0.00 N ATOM 979 CA ASP A 60 2.532 -5.921 -9.704 1.00 0.00 C ATOM 980 C ASP A 60 1.848 -6.942 -8.793 1.00 0.00 C ATOM 981 O ASP A 60 0.667 -7.240 -8.965 1.00 0.00 O ATOM 982 CB ASP A 60 3.771 -6.583 -10.310 1.00 0.00 C ATOM 983 CG ASP A 60 3.483 -7.659 -11.358 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.389 -7.587 -11.959 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.362 -8.530 -11.534 1.00 0.00 O ATOM 0 H ASP A 60 3.597 -4.915 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 60 1.866 -5.601 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.391 -5.811 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.356 -7.028 -9.506 1.00 0.00 H new ATOM 990 N GLU A 61 2.620 -7.451 -7.843 1.00 0.00 N ATOM 991 CA GLU A 61 2.103 -8.433 -6.905 1.00 0.00 C ATOM 992 C GLU A 61 3.189 -8.833 -5.904 1.00 0.00 C ATOM 993 O GLU A 61 2.903 -9.053 -4.728 1.00 0.00 O ATOM 994 CB GLU A 61 1.556 -9.658 -7.640 1.00 0.00 C ATOM 995 CG GLU A 61 0.922 -10.647 -6.659 1.00 0.00 C ATOM 996 CD GLU A 61 0.381 -11.876 -7.393 1.00 0.00 C ATOM 997 OE1 GLU A 61 -0.705 -11.743 -7.998 1.00 0.00 O ATOM 998 OE2 GLU A 61 1.065 -12.920 -7.333 1.00 0.00 O ATOM 0 H GLU A 61 3.599 -7.202 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 61 1.277 -7.982 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.815 -9.345 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.361 -10.148 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.661 -10.956 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.113 -10.158 -6.116 1.00 0.00 H new ATOM 1005 N ASN A 62 4.412 -8.915 -6.408 1.00 0.00 N ATOM 1006 CA ASN A 62 5.542 -9.285 -5.572 1.00 0.00 C ATOM 1007 C ASN A 62 6.245 -8.017 -5.083 1.00 0.00 C ATOM 1008 O ASN A 62 6.284 -7.748 -3.884 1.00 0.00 O ATOM 1009 CB ASN A 62 6.558 -10.117 -6.357 1.00 0.00 C ATOM 1010 CG ASN A 62 7.933 -10.078 -5.687 1.00 0.00 C ATOM 1011 OD1 ASN A 62 8.760 -9.173 -6.202 1.00 0.00 O flip ATOM 1012 ND2 ASN A 62 8.223 -10.821 -4.764 1.00 0.00 N flip ATOM 0 H ASN A 62 4.645 -8.732 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 62 5.165 -9.873 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.213 -11.148 -6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.635 -9.737 -7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.539 -11.494 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.149 -10.770 -4.340 1.00 0.00 H new ATOM 1019 N ASN A 63 6.785 -7.273 -6.037 1.00 0.00 N ATOM 1020 CA ASN A 63 7.485 -6.040 -5.719 1.00 0.00 C ATOM 1021 C ASN A 63 6.730 -5.301 -4.613 1.00 0.00 C ATOM 1022 O ASN A 63 7.340 -4.780 -3.681 1.00 0.00 O ATOM 1023 CB ASN A 63 7.560 -5.119 -6.938 1.00 0.00 C ATOM 1024 CG ASN A 63 6.223 -4.414 -7.175 1.00 0.00 C ATOM 1025 OD1 ASN A 63 5.218 -5.025 -7.497 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.267 -3.096 -6.999 1.00 0.00 N ATOM 0 H ASN A 63 6.752 -7.500 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 63 8.495 -6.298 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.345 -4.377 -6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.831 -5.699 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.426 -2.535 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.142 -2.646 -6.729 1.00 0.00 H new ATOM 1033 N MET A 64 5.412 -5.279 -4.752 1.00 0.00 N ATOM 1034 CA MET A 64 4.567 -4.612 -3.777 1.00 0.00 C ATOM 1035 C MET A 64 4.946 -5.022 -2.352 1.00 0.00 C ATOM 1036 O MET A 64 5.125 -4.170 -1.484 1.00 0.00 O ATOM 1037 CB MET A 64 3.103 -4.970 -4.039 1.00 0.00 C ATOM 1038 CG MET A 64 2.228 -4.617 -2.835 1.00 0.00 C ATOM 1039 SD MET A 64 0.756 -3.766 -3.379 1.00 0.00 S ATOM 1040 CE MET A 64 1.440 -2.153 -3.724 1.00 0.00 C ATOM 0 H MET A 64 4.909 -5.713 -5.526 1.00 0.00 H new ATOM 0 HA MET A 64 4.710 -3.536 -3.876 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.747 -4.437 -4.921 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.018 -6.035 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.955 -5.524 -2.295 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.786 -3.988 -2.141 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.013 -1.422 -3.037 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.522 -2.182 -3.597 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.203 -1.869 -4.749 1.00 0.00 H new ATOM 1050 N SER A 65 5.056 -6.328 -2.156 1.00 0.00 N ATOM 1051 CA SER A 65 5.410 -6.862 -0.852 1.00 0.00 C ATOM 1052 C SER A 65 6.795 -6.360 -0.439 1.00 0.00 C ATOM 1053 O SER A 65 6.973 -5.865 0.673 1.00 0.00 O ATOM 1054 CB SER A 65 5.380 -8.392 -0.856 1.00 0.00 C ATOM 1055 OG SER A 65 4.703 -8.916 0.283 1.00 0.00 O ATOM 0 H SER A 65 4.906 -7.032 -2.879 1.00 0.00 H new ATOM 0 HA SER A 65 4.673 -6.513 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.888 -8.742 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.400 -8.774 -0.879 1.00 0.00 H new ATOM 0 HG SER A 65 4.866 -9.880 0.346 1.00 0.00 H new ATOM 1061 N GLU A 66 7.739 -6.503 -1.357 1.00 0.00 N ATOM 1062 CA GLU A 66 9.103 -6.070 -1.102 1.00 0.00 C ATOM 1063 C GLU A 66 9.104 -4.747 -0.333 1.00 0.00 C ATOM 1064 O GLU A 66 9.994 -4.499 0.479 1.00 0.00 O ATOM 1065 CB GLU A 66 9.892 -5.947 -2.407 1.00 0.00 C ATOM 1066 CG GLU A 66 11.193 -6.750 -2.339 1.00 0.00 C ATOM 1067 CD GLU A 66 11.576 -7.291 -3.718 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.525 -6.490 -4.676 1.00 0.00 O ATOM 1069 OE2 GLU A 66 11.911 -8.494 -3.782 1.00 0.00 O ATOM 0 H GLU A 66 7.587 -6.913 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 66 9.595 -6.825 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.284 -6.303 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.117 -4.899 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.995 -6.118 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.078 -7.577 -1.639 1.00 0.00 H new ATOM 1076 N TYR A 67 8.098 -3.934 -0.616 1.00 0.00 N ATOM 1077 CA TYR A 67 7.972 -2.643 0.038 1.00 0.00 C ATOM 1078 C TYR A 67 7.227 -2.773 1.368 1.00 0.00 C ATOM 1079 O TYR A 67 7.699 -2.294 2.398 1.00 0.00 O ATOM 1080 CB TYR A 67 7.150 -1.767 -0.910 1.00 0.00 C ATOM 1081 CG TYR A 67 6.419 -0.616 -0.217 1.00 0.00 C ATOM 1082 CD1 TYR A 67 7.092 0.553 0.075 1.00 0.00 C ATOM 1083 CD2 TYR A 67 5.086 -0.747 0.116 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.403 1.637 0.727 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.397 0.337 0.769 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.090 1.475 1.042 1.00 0.00 C ATOM 1087 OH TYR A 67 4.440 2.499 1.657 1.00 0.00 O ATOM 0 H TYR A 67 7.362 -4.144 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 67 8.955 -2.222 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.811 -1.357 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.419 -2.392 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.135 0.655 -0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.559 -1.662 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.917 2.557 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.354 0.248 1.036 1.00 0.00 H new ATOM 0 HH TYR A 67 3.742 2.138 2.243 1.00 0.00 H new ATOM 1097 N LEU A 68 6.074 -3.423 1.303 1.00 0.00 N ATOM 1098 CA LEU A 68 5.259 -3.622 2.489 1.00 0.00 C ATOM 1099 C LEU A 68 6.159 -4.018 3.661 1.00 0.00 C ATOM 1100 O LEU A 68 6.002 -3.507 4.769 1.00 0.00 O ATOM 1101 CB LEU A 68 4.139 -4.626 2.207 1.00 0.00 C ATOM 1102 CG LEU A 68 3.138 -4.227 1.121 1.00 0.00 C ATOM 1103 CD1 LEU A 68 2.046 -5.287 0.966 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.556 -2.839 1.394 1.00 0.00 C ATOM 0 H LEU A 68 5.685 -3.819 0.447 1.00 0.00 H new ATOM 0 HA LEU A 68 4.761 -2.694 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.592 -5.576 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.591 -4.798 3.133 1.00 0.00 H new ATOM 0 HG LEU A 68 3.669 -4.171 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.348 -4.979 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.500 -6.239 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.512 -5.399 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.848 -2.580 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.044 -2.842 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.361 -2.104 1.413 1.00 0.00 H new ATOM 1116 N THR A 69 7.083 -4.924 3.376 1.00 0.00 N ATOM 1117 CA THR A 69 8.008 -5.395 4.393 1.00 0.00 C ATOM 1118 C THR A 69 8.915 -4.253 4.857 1.00 0.00 C ATOM 1119 O THR A 69 9.129 -4.074 6.055 1.00 0.00 O ATOM 1120 CB THR A 69 8.777 -6.586 3.818 1.00 0.00 C ATOM 1121 OG1 THR A 69 9.756 -6.880 4.811 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.599 -6.212 2.583 1.00 0.00 C ATOM 0 H THR A 69 7.211 -5.344 2.455 1.00 0.00 H new ATOM 0 HA THR A 69 7.479 -5.732 5.284 1.00 0.00 H new ATOM 0 HB THR A 69 8.076 -7.380 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.299 -7.642 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.125 -7.093 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.936 -5.834 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.323 -5.442 2.848 1.00 0.00 H new ATOM 1130 N ASN A 70 9.424 -3.512 3.884 1.00 0.00 N ATOM 1131 CA ASN A 70 10.303 -2.393 4.179 1.00 0.00 C ATOM 1132 C ASN A 70 9.798 -1.147 3.448 1.00 0.00 C ATOM 1133 O ASN A 70 10.393 -0.717 2.461 1.00 0.00 O ATOM 1134 CB ASN A 70 11.730 -2.673 3.703 1.00 0.00 C ATOM 1135 CG ASN A 70 12.754 -1.968 4.594 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.541 -0.868 5.078 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.873 -2.660 4.784 1.00 0.00 N ATOM 0 H ASN A 70 9.245 -3.664 2.891 1.00 0.00 H new ATOM 0 HA ASN A 70 10.305 -2.242 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.915 -3.747 3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.846 -2.336 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.618 -2.275 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.986 -3.576 4.349 1.00 0.00 H new ATOM 1144 N PRO A 71 8.675 -0.588 3.974 1.00 0.00 N ATOM 1145 CA PRO A 71 8.083 0.600 3.383 1.00 0.00 C ATOM 1146 C PRO A 71 8.903 1.847 3.719 1.00 0.00 C ATOM 1147 O PRO A 71 8.892 2.759 2.911 1.00 0.00 O ATOM 1148 CB PRO A 71 6.669 0.652 3.938 1.00 0.00 C ATOM 1149 CG PRO A 71 6.671 -0.237 5.170 1.00 0.00 C ATOM 1150 CD PRO A 71 7.943 -1.070 5.142 1.00 0.00 C ATOM 0 HA PRO A 71 8.069 0.565 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.387 1.673 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.947 0.298 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.630 0.367 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.792 -0.882 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.523 -0.938 6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.718 -2.133 5.058 1.00 0.00 H new HETATM 1158 N M3L A 72 9.549 1.798 4.874 1.00 0.00 N HETATM 1159 CA M3L A 72 10.354 2.933 5.370 1.00 0.00 C HETATM 1160 CB M3L A 72 10.519 2.792 6.897 1.00 0.00 C HETATM 1161 CG M3L A 72 9.144 3.176 7.446 1.00 0.00 C HETATM 1162 CD M3L A 72 8.938 2.696 8.895 1.00 0.00 C HETATM 1163 CE M3L A 72 9.340 3.881 9.795 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.172 4.537 10.400 1.00 0.00 N HETATM 1165 C M3L A 72 11.731 3.091 4.782 1.00 0.00 C HETATM 1166 O M3L A 72 12.310 4.177 4.792 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.460 5.051 9.206 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.373 3.525 11.120 1.00 0.00 C HETATM 1169 CM3 M3L A 72 8.574 5.620 11.314 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.192 5.211 12.113 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.143 6.369 10.763 1.00 0.00 H new HETATM 0 HM31 M3L A 72 7.685 6.083 11.743 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.042 2.757 10.420 1.00 0.00 H new HETATM 0 HM22 M3L A 72 7.982 3.067 11.899 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.504 4.002 11.573 1.00 0.00 H new HETATM 0 HM13 M3L A 72 8.107 5.742 8.666 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.194 4.219 8.555 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.554 5.571 9.518 1.00 0.00 H new HETATM 0 HG3 M3L A 72 9.028 4.259 7.405 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.369 2.748 6.810 1.00 0.00 H new HETATM 0 HE3 M3L A 72 10.005 3.528 10.583 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.900 4.608 9.207 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.901 2.409 9.067 1.00 0.00 H new HETATM 0 HD2 M3L A 72 9.551 1.820 9.107 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.793 1.775 7.178 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.300 3.450 7.278 1.00 0.00 H new HETATM 0 HA M3L A 72 9.796 3.817 5.061 1.00 0.00 H new HETATM 0 H M3L A 72 9.208 1.091 5.526 1.00 0.00 H new ATOM 1189 N LYS A 73 12.191 2.001 4.185 1.00 0.00 N ATOM 1190 CA LYS A 73 13.458 2.015 3.473 1.00 0.00 C ATOM 1191 C LYS A 73 13.195 2.204 1.978 1.00 0.00 C ATOM 1192 O LYS A 73 13.549 3.235 1.407 1.00 0.00 O ATOM 1193 CB LYS A 73 14.271 0.762 3.802 1.00 0.00 C ATOM 1194 CG LYS A 73 15.678 0.850 3.207 1.00 0.00 C ATOM 1195 CD LYS A 73 16.653 -0.049 3.971 1.00 0.00 C ATOM 1196 CE LYS A 73 17.515 -0.866 3.007 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.898 -0.339 2.974 1.00 0.00 N ATOM 0 H LYS A 73 11.709 1.102 4.180 1.00 0.00 H new ATOM 0 HA LYS A 73 14.069 2.857 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.336 0.640 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.762 -0.119 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.652 0.556 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.027 1.882 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.293 0.561 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.097 -0.720 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.525 -1.911 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.083 -0.833 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.470 -0.905 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.885 0.652 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.313 -0.393 3.926 1.00 0.00 H new ATOM 1211 N TYR A 74 12.577 1.193 1.386 1.00 0.00 N ATOM 1212 CA TYR A 74 12.264 1.234 -0.032 1.00 0.00 C ATOM 1213 C TYR A 74 11.856 2.645 -0.462 1.00 0.00 C ATOM 1214 O TYR A 74 12.351 3.160 -1.464 1.00 0.00 O ATOM 1215 CB TYR A 74 11.076 0.291 -0.229 1.00 0.00 C ATOM 1216 CG TYR A 74 10.819 -0.090 -1.689 1.00 0.00 C ATOM 1217 CD1 TYR A 74 10.544 0.891 -2.620 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.862 -1.414 -2.075 1.00 0.00 C ATOM 1219 CE1 TYR A 74 10.302 0.533 -3.993 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.620 -1.772 -3.448 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.352 -0.781 -4.340 1.00 0.00 C ATOM 1222 OH TYR A 74 10.123 -1.119 -5.637 1.00 0.00 O ATOM 0 H TYR A 74 12.284 0.340 1.863 1.00 0.00 H new ATOM 0 HA TYR A 74 13.131 0.944 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.247 -0.618 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.180 0.762 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.510 1.927 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.077 -2.182 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.086 1.291 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.651 -2.805 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 74 9.724 -2.013 -5.676 1.00 0.00 H new ATOM 1232 N ILE A 75 10.956 3.229 0.316 1.00 0.00 N ATOM 1233 CA ILE A 75 10.476 4.570 0.028 1.00 0.00 C ATOM 1234 C ILE A 75 11.007 5.536 1.089 1.00 0.00 C ATOM 1235 O ILE A 75 10.461 5.617 2.188 1.00 0.00 O ATOM 1236 CB ILE A 75 8.952 4.577 -0.102 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.506 3.836 -1.365 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.403 6.004 -0.052 1.00 0.00 C ATOM 1239 CD1 ILE A 75 6.985 3.670 -1.395 1.00 0.00 C ATOM 0 H ILE A 75 10.547 2.798 1.145 1.00 0.00 H new ATOM 0 HA ILE A 75 10.857 4.912 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 75 8.535 4.042 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.833 4.385 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.983 2.857 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.317 5.980 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.674 6.465 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.826 6.585 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.695 3.141 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.664 3.099 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.511 4.652 -1.380 1.00 0.00 H new ATOM 1251 N PRO A 76 12.093 6.263 0.713 1.00 0.00 N ATOM 1252 CA PRO A 76 12.703 7.221 1.619 1.00 0.00 C ATOM 1253 C PRO A 76 11.852 8.487 1.734 1.00 0.00 C ATOM 1254 O PRO A 76 12.035 9.433 0.971 1.00 0.00 O ATOM 1255 CB PRO A 76 14.085 7.484 1.042 1.00 0.00 C ATOM 1256 CG PRO A 76 14.024 7.028 -0.407 1.00 0.00 C ATOM 1257 CD PRO A 76 12.766 6.194 -0.581 1.00 0.00 C ATOM 0 HA PRO A 76 12.777 6.846 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.341 8.541 1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.849 6.935 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.008 7.887 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.908 6.443 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.135 6.590 -1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.007 5.165 -0.848 1.00 0.00 H new ATOM 1265 N GLY A 77 10.940 8.463 2.695 1.00 0.00 N ATOM 1266 CA GLY A 77 10.060 9.597 2.920 1.00 0.00 C ATOM 1267 C GLY A 77 8.593 9.166 2.895 1.00 0.00 C ATOM 1268 O GLY A 77 7.745 9.869 2.347 1.00 0.00 O ATOM 0 H GLY A 77 10.792 7.676 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.291 10.056 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.233 10.354 2.155 1.00 0.00 H new ATOM 1272 N THR A 78 8.337 8.012 3.494 1.00 0.00 N ATOM 1273 CA THR A 78 6.987 7.479 3.547 1.00 0.00 C ATOM 1274 C THR A 78 6.382 7.695 4.936 1.00 0.00 C ATOM 1275 O THR A 78 6.884 7.163 5.925 1.00 0.00 O ATOM 1276 CB THR A 78 7.043 6.008 3.131 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.788 5.779 2.495 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.031 5.059 4.332 1.00 0.00 C ATOM 0 H THR A 78 9.043 7.431 3.947 1.00 0.00 H new ATOM 0 HA THR A 78 6.328 8.003 2.855 1.00 0.00 H new ATOM 0 HB THR A 78 7.941 5.832 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.835 6.075 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.072 4.028 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.895 5.262 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.117 5.211 4.906 1.00 0.00 H new ATOM 1286 N LYS A 79 5.313 8.477 4.965 1.00 0.00 N ATOM 1287 CA LYS A 79 4.635 8.770 6.216 1.00 0.00 C ATOM 1288 C LYS A 79 4.004 7.488 6.762 1.00 0.00 C ATOM 1289 O LYS A 79 3.545 7.455 7.903 1.00 0.00 O ATOM 1290 CB LYS A 79 3.637 9.915 6.029 1.00 0.00 C ATOM 1291 CG LYS A 79 4.268 11.259 6.399 1.00 0.00 C ATOM 1292 CD LYS A 79 3.644 11.825 7.676 1.00 0.00 C ATOM 1293 CE LYS A 79 4.677 12.603 8.493 1.00 0.00 C ATOM 1294 NZ LYS A 79 4.153 12.900 9.845 1.00 0.00 N ATOM 0 H LYS A 79 4.900 8.917 4.142 1.00 0.00 H new ATOM 0 HA LYS A 79 5.348 9.118 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.298 9.941 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.757 9.740 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.342 11.134 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.133 11.966 5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.811 12.479 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.237 11.012 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.597 12.024 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.928 13.532 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.867 13.428 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.287 13.471 9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.936 12.010 10.336 1.00 0.00 H new ATOM 1308 N MET A 80 4.002 6.463 5.922 1.00 0.00 N ATOM 1309 CA MET A 80 3.435 5.182 6.306 1.00 0.00 C ATOM 1310 C MET A 80 4.153 4.610 7.531 1.00 0.00 C ATOM 1311 O MET A 80 5.193 3.966 7.401 1.00 0.00 O ATOM 1312 CB MET A 80 3.555 4.200 5.139 1.00 0.00 C ATOM 1313 CG MET A 80 3.007 2.824 5.522 1.00 0.00 C ATOM 1314 SD MET A 80 2.577 1.907 4.052 1.00 0.00 S ATOM 1315 CE MET A 80 2.878 0.244 4.624 1.00 0.00 C ATOM 0 H MET A 80 4.384 6.494 4.977 1.00 0.00 H new ATOM 0 HA MET A 80 2.386 5.332 6.560 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.010 4.585 4.277 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.600 4.109 4.841 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.751 2.275 6.098 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.130 2.937 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.640 -0.463 3.829 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.927 0.139 4.902 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.251 0.038 5.491 1.00 0.00 H new ATOM 1325 N ALA A 81 3.568 4.866 8.692 1.00 0.00 N ATOM 1326 CA ALA A 81 4.139 4.384 9.939 1.00 0.00 C ATOM 1327 C ALA A 81 3.602 2.982 10.232 1.00 0.00 C ATOM 1328 O ALA A 81 2.836 2.791 11.175 1.00 0.00 O ATOM 1329 CB ALA A 81 3.823 5.375 11.061 1.00 0.00 C ATOM 0 H ALA A 81 2.705 5.400 8.796 1.00 0.00 H new ATOM 0 HA ALA A 81 5.224 4.312 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.251 5.014 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.250 6.348 10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.743 5.470 11.169 1.00 0.00 H new ATOM 1335 N PHE A 82 4.027 2.036 9.407 1.00 0.00 N ATOM 1336 CA PHE A 82 3.599 0.657 9.566 1.00 0.00 C ATOM 1337 C PHE A 82 4.802 -0.280 9.691 1.00 0.00 C ATOM 1338 O PHE A 82 5.885 0.025 9.193 1.00 0.00 O ATOM 1339 CB PHE A 82 2.808 0.286 8.310 1.00 0.00 C ATOM 1340 CG PHE A 82 2.670 -1.221 8.083 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.930 -1.973 8.942 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.287 -1.808 7.024 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.801 -3.371 8.731 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.159 -3.207 6.813 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.419 -3.959 7.672 1.00 0.00 C ATOM 0 H PHE A 82 4.663 2.198 8.626 1.00 0.00 H new ATOM 0 HA PHE A 82 2.998 0.556 10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.813 0.725 8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.295 0.731 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.441 -1.507 9.784 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.875 -1.211 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.212 -3.968 9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.649 -3.673 5.971 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.322 -5.023 7.513 1.00 0.00 H new ATOM 1355 N GLY A 83 4.572 -1.401 10.358 1.00 0.00 N ATOM 1356 CA GLY A 83 5.624 -2.384 10.555 1.00 0.00 C ATOM 1357 C GLY A 83 5.406 -3.607 9.662 1.00 0.00 C ATOM 1358 O GLY A 83 4.619 -4.491 9.996 1.00 0.00 O ATOM 0 H GLY A 83 3.673 -1.651 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.592 -1.935 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.648 -2.692 11.600 1.00 0.00 H new ATOM 1362 N GLY A 84 6.117 -3.618 8.544 1.00 0.00 N ATOM 1363 CA GLY A 84 6.011 -4.717 7.600 1.00 0.00 C ATOM 1364 C GLY A 84 5.893 -6.057 8.330 1.00 0.00 C ATOM 1365 O GLY A 84 6.795 -6.446 9.070 1.00 0.00 O ATOM 0 H GLY A 84 6.769 -2.883 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.141 -4.569 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.886 -4.729 6.950 1.00 0.00 H new ATOM 1369 N LEU A 85 4.774 -6.726 8.096 1.00 0.00 N ATOM 1370 CA LEU A 85 4.526 -8.013 8.722 1.00 0.00 C ATOM 1371 C LEU A 85 5.724 -8.933 8.477 1.00 0.00 C ATOM 1372 O LEU A 85 6.321 -9.446 9.423 1.00 0.00 O ATOM 1373 CB LEU A 85 3.196 -8.596 8.241 1.00 0.00 C ATOM 1374 CG LEU A 85 2.025 -7.615 8.157 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.696 -7.278 6.701 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.806 -8.149 8.911 1.00 0.00 C ATOM 0 H LEU A 85 4.028 -6.400 7.481 1.00 0.00 H new ATOM 0 HA LEU A 85 4.426 -7.898 9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.349 -9.033 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.915 -9.409 8.910 1.00 0.00 H new ATOM 0 HG LEU A 85 2.322 -6.686 8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.860 -6.579 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.566 -6.825 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.427 -8.190 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.012 -7.432 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.497 -9.099 8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.063 -8.297 9.960 1.00 0.00 H new ATOM 1388 N LYS A 86 6.041 -9.114 7.204 1.00 0.00 N ATOM 1389 CA LYS A 86 7.157 -9.962 6.823 1.00 0.00 C ATOM 1390 C LYS A 86 6.741 -11.430 6.945 1.00 0.00 C ATOM 1391 O LYS A 86 7.511 -12.259 7.429 1.00 0.00 O ATOM 1392 CB LYS A 86 8.403 -9.606 7.637 1.00 0.00 C ATOM 1393 CG LYS A 86 9.666 -10.165 6.979 1.00 0.00 C ATOM 1394 CD LYS A 86 10.580 -10.822 8.015 1.00 0.00 C ATOM 1395 CE LYS A 86 11.386 -9.771 8.780 1.00 0.00 C ATOM 1396 NZ LYS A 86 12.560 -9.341 7.989 1.00 0.00 N ATOM 0 H LYS A 86 5.544 -8.687 6.422 1.00 0.00 H new ATOM 0 HA LYS A 86 7.426 -9.792 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.485 -8.523 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.308 -10.005 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.391 -10.894 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.202 -9.362 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.982 -11.407 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.259 -11.516 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.755 -8.911 9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.714 -10.180 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.096 -8.627 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.170 -10.162 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.240 -8.931 7.088 1.00 0.00 H new ATOM 1410 N LYS A 87 5.525 -11.706 6.498 1.00 0.00 N ATOM 1411 CA LYS A 87 4.998 -13.059 6.552 1.00 0.00 C ATOM 1412 C LYS A 87 4.402 -13.424 5.190 1.00 0.00 C ATOM 1413 O LYS A 87 3.186 -13.381 5.009 1.00 0.00 O ATOM 1414 CB LYS A 87 4.012 -13.205 7.713 1.00 0.00 C ATOM 1415 CG LYS A 87 4.703 -12.946 9.054 1.00 0.00 C ATOM 1416 CD LYS A 87 5.588 -14.129 9.452 1.00 0.00 C ATOM 1417 CE LYS A 87 6.203 -13.913 10.836 1.00 0.00 C ATOM 1418 NZ LYS A 87 5.164 -14.011 11.886 1.00 0.00 N ATOM 0 H LYS A 87 4.890 -11.016 6.097 1.00 0.00 H new ATOM 0 HA LYS A 87 5.798 -13.771 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.186 -12.505 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.584 -14.207 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.307 -12.041 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.953 -12.772 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.998 -15.045 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.380 -14.259 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.980 -14.656 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.681 -12.934 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.619 -14.083 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.562 -13.163 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.581 -14.856 11.719 1.00 0.00 H new ATOM 1432 N GLU A 88 5.286 -13.773 4.268 1.00 0.00 N ATOM 1433 CA GLU A 88 4.863 -14.145 2.928 1.00 0.00 C ATOM 1434 C GLU A 88 3.566 -14.954 2.987 1.00 0.00 C ATOM 1435 O GLU A 88 2.722 -14.845 2.099 1.00 0.00 O ATOM 1436 CB GLU A 88 5.962 -14.923 2.202 1.00 0.00 C ATOM 1437 CG GLU A 88 6.645 -14.052 1.146 1.00 0.00 C ATOM 1438 CD GLU A 88 8.137 -14.376 1.048 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.844 -14.100 2.040 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.536 -14.894 -0.018 1.00 0.00 O ATOM 0 H GLU A 88 6.294 -13.806 4.422 1.00 0.00 H new ATOM 0 HA GLU A 88 4.674 -13.233 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.701 -15.273 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.534 -15.807 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.171 -14.210 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.514 -13.000 1.397 1.00 0.00 H new ATOM 1447 N LYS A 89 3.448 -15.748 4.042 1.00 0.00 N ATOM 1448 CA LYS A 89 2.268 -16.575 4.228 1.00 0.00 C ATOM 1449 C LYS A 89 1.016 -15.702 4.114 1.00 0.00 C ATOM 1450 O LYS A 89 0.249 -15.832 3.161 1.00 0.00 O ATOM 1451 CB LYS A 89 2.360 -17.351 5.543 1.00 0.00 C ATOM 1452 CG LYS A 89 3.735 -18.003 5.700 1.00 0.00 C ATOM 1453 CD LYS A 89 3.608 -19.521 5.842 1.00 0.00 C ATOM 1454 CE LYS A 89 3.359 -19.916 7.299 1.00 0.00 C ATOM 1455 NZ LYS A 89 1.926 -20.211 7.519 1.00 0.00 N ATOM 0 H LYS A 89 4.150 -15.836 4.776 1.00 0.00 H new ATOM 0 HA LYS A 89 2.203 -17.329 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.175 -16.678 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.585 -18.117 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.355 -17.765 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.238 -17.593 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.789 -19.881 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.518 -20.001 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.959 -20.790 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.676 -19.109 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.780 -20.510 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.363 -19.358 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.626 -20.973 6.878 1.00 0.00 H new ATOM 1469 N ASP A 90 0.848 -14.833 5.100 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.297 -13.940 5.123 1.00 0.00 C ATOM 1471 C ASP A 90 -0.203 -12.966 3.946 1.00 0.00 C ATOM 1472 O ASP A 90 -1.129 -12.867 3.142 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.330 -13.119 6.414 1.00 0.00 C ATOM 1474 CG ASP A 90 0.251 -13.822 7.642 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.050 -15.024 7.803 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.984 -13.141 8.391 1.00 0.00 O ATOM 0 H ASP A 90 1.486 -14.729 5.889 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.199 -14.548 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.219 -12.192 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.363 -12.845 6.626 1.00 0.00 H new ATOM 1481 N ARG A 91 0.924 -12.272 3.882 1.00 0.00 N ATOM 1482 CA ARG A 91 1.151 -11.310 2.817 1.00 0.00 C ATOM 1483 C ARG A 91 0.688 -11.884 1.476 1.00 0.00 C ATOM 1484 O ARG A 91 0.031 -11.195 0.697 1.00 0.00 O ATOM 1485 CB ARG A 91 2.631 -10.936 2.720 1.00 0.00 C ATOM 1486 CG ARG A 91 3.146 -10.384 4.051 1.00 0.00 C ATOM 1487 CD ARG A 91 4.486 -9.669 3.867 1.00 0.00 C ATOM 1488 NE ARG A 91 5.572 -10.662 3.711 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.740 -10.408 3.106 1.00 0.00 C ATOM 1490 NH1 ARG A 91 6.981 -9.193 2.596 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.668 -11.370 3.011 1.00 0.00 N ATOM 0 H ARG A 91 1.690 -12.357 4.550 1.00 0.00 H new ATOM 0 HA ARG A 91 0.576 -10.414 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.213 -11.813 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.771 -10.193 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.415 -9.692 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.260 -11.198 4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.445 -9.022 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.687 -9.029 4.726 1.00 0.00 H new ATOM 0 HE ARG A 91 5.422 -11.598 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.275 -8.460 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.871 -9.000 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.485 -12.295 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.557 -11.177 2.550 1.00 0.00 H new ATOM 1505 N ASN A 92 1.048 -13.138 1.249 1.00 0.00 N ATOM 1506 CA ASN A 92 0.678 -13.812 0.017 1.00 0.00 C ATOM 1507 C ASN A 92 -0.837 -13.713 -0.179 1.00 0.00 C ATOM 1508 O ASN A 92 -1.305 -13.371 -1.264 1.00 0.00 O ATOM 1509 CB ASN A 92 1.052 -15.295 0.065 1.00 0.00 C ATOM 1510 CG ASN A 92 2.484 -15.515 -0.425 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.044 -14.722 -1.164 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.044 -16.634 0.026 1.00 0.00 N ATOM 0 H ASN A 92 1.593 -13.706 1.898 1.00 0.00 H new ATOM 0 HA ASN A 92 1.213 -13.332 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.952 -15.666 1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.360 -15.868 -0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.998 -16.872 -0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.519 -17.255 0.642 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.560 -14.018 0.888 1.00 0.00 N ATOM 1520 CA ASP A 93 -3.012 -13.967 0.848 1.00 0.00 C ATOM 1521 C ASP A 93 -3.457 -12.562 0.439 1.00 0.00 C ATOM 1522 O ASP A 93 -4.182 -12.398 -0.542 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.612 -14.272 2.222 1.00 0.00 C ATOM 1524 CG ASP A 93 -3.233 -15.635 2.805 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.893 -16.524 1.995 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -3.292 -15.757 4.047 1.00 0.00 O ATOM 0 H ASP A 93 -1.168 -14.301 1.786 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.356 -14.712 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.298 -13.495 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.698 -14.214 2.148 1.00 0.00 H new ATOM 1531 N LEU A 94 -3.006 -11.584 1.211 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.350 -10.199 0.941 1.00 0.00 C ATOM 1533 C LEU A 94 -2.955 -9.850 -0.496 1.00 0.00 C ATOM 1534 O LEU A 94 -3.798 -9.444 -1.294 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.725 -9.278 1.991 1.00 0.00 C ATOM 1536 CG LEU A 94 -3.706 -8.475 2.848 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.989 -7.343 3.587 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -4.875 -7.961 2.007 1.00 0.00 C ATOM 0 H LEU A 94 -2.405 -11.724 2.023 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.427 -10.052 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.105 -9.883 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.061 -8.579 1.483 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.122 -9.140 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.709 -6.788 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.220 -7.762 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.527 -6.672 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.557 -7.394 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.497 -7.317 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.406 -8.805 1.567 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.673 -10.022 -0.781 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.156 -9.731 -2.108 1.00 0.00 C ATOM 1552 C ILE A 95 -2.159 -10.214 -3.158 1.00 0.00 C ATOM 1553 O ILE A 95 -2.248 -9.643 -4.244 1.00 0.00 O ATOM 1554 CB ILE A 95 0.245 -10.321 -2.279 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.275 -9.531 -1.469 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.625 -10.412 -3.758 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.599 -10.292 -1.373 1.00 0.00 C ATOM 0 H ILE A 95 -0.977 -10.359 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.042 -8.656 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 95 0.238 -11.338 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.443 -8.560 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.887 -9.341 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.625 -10.835 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.089 -11.051 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.609 -9.416 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.313 -9.708 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.432 -11.252 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.996 -10.459 -2.374 1.00 0.00 H new ATOM 1569 N THR A 96 -2.888 -11.260 -2.797 1.00 0.00 N ATOM 1570 CA THR A 96 -3.881 -11.825 -3.695 1.00 0.00 C ATOM 1571 C THR A 96 -5.222 -11.109 -3.527 1.00 0.00 C ATOM 1572 O THR A 96 -5.829 -10.681 -4.508 1.00 0.00 O ATOM 1573 CB THR A 96 -3.958 -13.330 -3.427 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.434 -13.921 -4.613 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.399 -13.840 -3.362 1.00 0.00 C ATOM 0 H THR A 96 -2.811 -11.731 -1.895 1.00 0.00 H new ATOM 0 HA THR A 96 -3.599 -11.679 -4.738 1.00 0.00 H new ATOM 0 HB THR A 96 -3.450 -13.558 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.480 -14.108 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.397 -14.913 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.930 -13.329 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.898 -13.642 -4.311 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.645 -10.999 -2.276 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.903 -10.341 -1.967 1.00 0.00 C ATOM 1585 C TYR A 97 -6.902 -8.894 -2.463 1.00 0.00 C ATOM 1586 O TYR A 97 -7.874 -8.439 -3.064 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.017 -10.344 -0.441 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.325 -9.752 0.087 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -8.422 -8.395 0.323 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.407 -10.573 0.327 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -9.653 -7.837 0.820 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.638 -10.015 0.824 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.700 -8.675 1.046 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.863 -8.148 1.515 1.00 0.00 O ATOM 0 H TYR A 97 -5.139 -11.354 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.734 -10.856 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.923 -11.369 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.181 -9.782 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.575 -7.752 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.331 -11.634 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.743 -6.777 1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.493 -10.647 1.016 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.524 -8.863 1.629 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.799 -8.210 -2.193 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.659 -6.824 -2.605 1.00 0.00 C ATOM 1606 C LEU A 98 -5.891 -6.718 -4.113 1.00 0.00 C ATOM 1607 O LEU A 98 -6.560 -5.797 -4.579 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.310 -6.264 -2.149 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.366 -5.027 -1.250 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.409 -5.167 -0.065 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.101 -3.753 -2.053 1.00 0.00 C ATOM 0 H LEU A 98 -4.995 -8.590 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.415 -6.205 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.773 -7.050 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.723 -6.019 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.374 -4.947 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.468 -4.275 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.686 -6.041 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.390 -5.286 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.147 -2.889 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.112 -3.809 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.855 -3.652 -2.834 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.325 -7.674 -4.835 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.462 -7.700 -6.281 1.00 0.00 C ATOM 1625 C LYS A 99 -6.933 -7.907 -6.647 1.00 0.00 C ATOM 1626 O LYS A 99 -7.323 -7.717 -7.798 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.525 -8.746 -6.889 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.810 -8.937 -8.381 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.855 -9.963 -8.994 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.626 -11.149 -9.577 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.595 -11.112 -11.056 1.00 0.00 N ATOM 0 H LYS A 99 -4.771 -8.436 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.158 -6.745 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.489 -8.436 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.647 -9.695 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.840 -9.266 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.707 -7.984 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.261 -9.491 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.158 -10.316 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.191 -12.083 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.659 -11.126 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.123 -11.924 -11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.031 -10.229 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.609 -11.157 -11.384 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.710 -8.292 -5.645 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.130 -8.526 -5.846 1.00 0.00 C ATOM 1647 C LYS A 100 -9.922 -7.342 -5.288 1.00 0.00 C ATOM 1648 O LYS A 100 -11.036 -7.071 -5.732 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.540 -9.875 -5.252 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.718 -10.477 -6.021 1.00 0.00 C ATOM 1651 CD LYS A 100 -12.015 -10.358 -5.217 1.00 0.00 C ATOM 1652 CE LYS A 100 -13.201 -10.918 -6.005 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.132 -12.395 -6.066 1.00 0.00 N ATOM 0 H LYS A 100 -7.383 -8.448 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.359 -8.590 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.694 -10.561 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.812 -9.748 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.831 -9.967 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.516 -11.526 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.913 -10.896 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.199 -9.313 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.135 -10.611 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.202 -10.506 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.994 -12.765 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.302 -12.681 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.051 -12.779 -5.103 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.315 -6.668 -4.322 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.949 -5.519 -3.698 1.00 0.00 C ATOM 1669 C ALA A 101 -10.459 -4.571 -4.785 1.00 0.00 C ATOM 1670 O ALA A 101 -11.620 -4.166 -4.765 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.958 -4.841 -2.750 1.00 0.00 C ATOM 0 H ALA A 101 -8.391 -6.896 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.808 -5.830 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.434 -3.979 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.649 -5.548 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.084 -4.512 -3.312 1.00 0.00 H new ATOM 1677 N SER A 102 -9.565 -4.244 -5.707 1.00 0.00 N ATOM 1678 CA SER A 102 -9.910 -3.351 -6.800 1.00 0.00 C ATOM 1679 C SER A 102 -11.184 -3.839 -7.492 1.00 0.00 C ATOM 1680 O SER A 102 -11.870 -3.064 -8.157 1.00 0.00 O ATOM 1681 CB SER A 102 -8.765 -3.246 -7.808 1.00 0.00 C ATOM 1682 OG SER A 102 -8.375 -4.523 -8.308 1.00 0.00 O ATOM 0 H SER A 102 -8.603 -4.581 -5.719 1.00 0.00 H new ATOM 0 HA SER A 102 -10.086 -2.358 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.070 -2.609 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.909 -2.765 -7.335 1.00 0.00 H new ATOM 0 HG SER A 102 -7.643 -4.413 -8.950 1.00 0.00 H new ATOM 1688 N GLU A 103 -11.463 -5.122 -7.312 1.00 0.00 N ATOM 1689 CA GLU A 103 -12.643 -5.723 -7.912 1.00 0.00 C ATOM 1690 C GLU A 103 -13.451 -6.475 -6.853 1.00 0.00 C ATOM 1691 O GLU A 103 -14.577 -6.899 -7.111 1.00 0.00 O ATOM 1692 CB GLU A 103 -12.259 -6.647 -9.069 1.00 0.00 C ATOM 1693 CG GLU A 103 -11.731 -7.986 -8.549 1.00 0.00 C ATOM 1694 CD GLU A 103 -11.496 -8.967 -9.700 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.476 -9.230 -10.430 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -10.342 -9.431 -9.823 1.00 0.00 O ATOM 0 H GLU A 103 -10.893 -5.762 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.267 -4.927 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.126 -6.817 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.499 -6.167 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.799 -7.827 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.443 -8.412 -7.843 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.123 2.707 4.355 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.233 5.225 2.241 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.105 0.693 1.563 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.444 0.167 6.345 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.219 4.889 6.766 1.00 0.00 C HETATM 1709 NA HEC A 104 0.489 2.957 2.345 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.925 4.013 1.641 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.338 3.644 0.265 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.927 2.386 0.106 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.436 1.892 1.316 1.00 0.00 C HETATM 1714 CMA HEC A 104 1.101 1.524 -1.202 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.864 4.663 -0.705 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.829 5.827 -0.835 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.307 7.242 -0.548 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.632 7.831 0.304 1.00 0.00 O HETATM 1719 O2A HEC A 104 2.305 7.708 -1.138 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.222 0.777 4.013 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.491 0.173 2.791 1.00 0.00 C HETATM 1722 C2B HEC A 104 -0.800 -1.220 3.103 1.00 0.00 C HETATM 1723 C3B HEC A 104 -0.839 -1.419 4.444 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.522 -0.118 4.969 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.188 -2.242 1.973 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.190 -2.628 5.271 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.311 -3.858 4.994 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.258 2.601 6.215 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.470 1.487 6.969 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.818 1.671 8.323 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.708 3.010 8.456 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.450 3.598 7.143 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.119 0.650 9.376 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.128 3.959 9.621 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.414 3.597 10.943 1.00 0.00 C HETATM 1736 ND HEC A 104 0.437 4.700 4.481 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.231 5.453 5.631 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.568 6.779 5.392 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.011 6.876 4.128 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.001 5.529 3.563 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.533 7.965 6.461 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.621 8.147 3.485 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.718 9.352 3.600 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.504 10.208 2.365 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.211 9.943 1.356 1.00 0.00 O HETATM 1746 O2D HEC A 104 -0.238 11.200 2.543 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.481 8.081 6.843 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.207 7.732 7.286 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.850 8.893 5.985 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.974 0.049 9.066 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.252 0.004 9.515 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.350 1.153 10.315 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.085 -1.895 1.461 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.370 -2.321 1.257 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.378 -3.220 2.416 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.591 2.014 -2.031 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.161 1.426 -1.435 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.671 0.535 -1.046 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -0.258 9.005 3.938 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 1.118 9.994 4.385 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.668 2.576 11.226 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.665 3.678 10.808 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.734 4.281 11.729 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.409 -4.147 3.948 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.730 -3.617 5.207 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.630 -4.684 5.630 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.431 5.808 -1.850 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.002 5.612 -0.163 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.576 8.367 3.962 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.828 7.953 2.433 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.823 5.050 -0.361 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 2.036 4.202 -1.678 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.447 5.614 7.547 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.355 -0.688 7.016 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.261 0.049 0.698 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.693 5.993 1.620 1.00 0.00 H new HETATM 0 H2D HEC A 104 -1.160 10.965 2.310 1.00 0.00 H new HETATM 0 H2A HEC A 104 2.053 8.530 -1.609 1.00 0.00 H new