USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 877 hydrogens (32 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 49 THR OG1 : rot 69:sc= 0.211 USER MOD Set 1.2: A 78 THR OG1 : rot -163:sc= -0.773 USER MOD Set 2.1: A 67 HIS : no HE2:sc= -1.7! C(o=-3.1!,f=-26!) USER MOD Set 2.2: A 80 MET CE :methyl 161:sc= -1.42 (180deg=-0.00355) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.843 K(o=-3,f=-4.9) USER MOD Set 3.2: A 74 TYR OH : rot -60:sc= -3.82! USER MOD Set 4.1: A 40 SER OG : rot -102:sc= -2.83! USER MOD Set 4.2: A 52 ASN : amide:sc= -2.74! C(o=-5.6!,f=-15!) USER MOD Set 5.1: A 19 THR OG1 : rot 107:sc= -2.31! USER MOD Set 5.2: A 31 ASN : amide:sc= -10.5! C(o=-13!,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 -51:sc= 1.15 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -137:sc= 0.0705 (180deg=-0.488) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0436 (180deg=-0.422) USER MOD Single : A 12 THR OG1 : rot -21:sc= 0.508 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 39 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-1.3) USER MOD Single : A 42 GLN :FLIP amide:sc= -1.19 F(o=-4.5!,f=-1.2) USER MOD Single : A 46 TYR OH : rot 74:sc= 0.106 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -111:sc= -4.61! USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00217) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -0.0779 (180deg=-0.623) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.811 F(o=-7!,f=-0.81) USER MOD Single : A 62 ASN : amide:sc= -0.694 X(o=-0.69,f=-1.1!) USER MOD Single : A 64 MET CE :methyl -139:sc= -0.601 (180deg=-2.45) USER MOD Single : A 65 SER OG : rot 77:sc= -0.838 USER MOD Single : A 69 THR OG1 : rot 74:sc= -2.83! USER MOD Single : A 70 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.01 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= -1.5! (180deg=-1.76!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -170:sc= -0.0546 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -19.964 -4.508 4.234 1.00 0.00 N ATOM 2 CA THR A -5 -19.540 -4.112 2.861 1.00 0.00 C ATOM 3 C THR A -5 -18.453 -5.068 2.368 1.00 0.00 C ATOM 4 O THR A -5 -18.043 -5.972 3.068 1.00 0.00 O ATOM 5 CB THR A -5 -18.988 -2.684 2.890 1.00 0.00 C ATOM 6 OG1 THR A -5 -17.919 -2.609 3.822 1.00 0.00 O ATOM 7 CG2 THR A -5 -20.097 -1.715 3.303 1.00 0.00 C ATOM 0 H1 THR A -5 -21.000 -4.457 4.306 1.00 0.00 H new ATOM 0 H2 THR A -5 -19.651 -5.481 4.427 1.00 0.00 H new ATOM 0 H3 THR A -5 -19.537 -3.863 4.929 1.00 0.00 H new ATOM 0 HA THR A -5 -20.397 -4.157 2.189 1.00 0.00 H new ATOM 0 HB THR A -5 -18.624 -2.415 1.898 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.564 -1.696 3.840 1.00 0.00 H new ATOM 0 HG21 THR A -5 -19.703 -0.699 3.323 1.00 0.00 H new ATOM 0 HG22 THR A -5 -20.916 -1.772 2.586 1.00 0.00 H new ATOM 0 HG23 THR A -5 -20.463 -1.982 4.294 1.00 0.00 H new ATOM 17 N GLU A -4 -17.983 -4.876 1.165 1.00 0.00 N ATOM 18 CA GLU A -4 -16.922 -5.773 0.627 1.00 0.00 C ATOM 19 C GLU A -4 -15.702 -5.735 1.551 1.00 0.00 C ATOM 20 O GLU A -4 -14.999 -6.713 1.705 1.00 0.00 O ATOM 21 CB GLU A -4 -16.517 -5.305 -0.772 1.00 0.00 C ATOM 22 CG GLU A -4 -15.534 -6.306 -1.382 1.00 0.00 C ATOM 23 CD GLU A -4 -15.053 -5.789 -2.739 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.468 -4.707 -3.119 1.00 0.00 O ATOM 25 OE2 GLU A -4 -14.278 -6.486 -3.374 1.00 0.00 O ATOM 0 H GLU A -4 -18.288 -4.137 0.532 1.00 0.00 H new ATOM 0 HA GLU A -4 -17.304 -6.792 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -17.399 -5.214 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.060 -4.317 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -14.685 -6.450 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.015 -7.277 -1.501 1.00 0.00 H new ATOM 32 N PHE A -3 -15.448 -4.613 2.165 1.00 0.00 N ATOM 33 CA PHE A -3 -14.274 -4.513 3.078 1.00 0.00 C ATOM 34 C PHE A -3 -14.731 -4.704 4.524 1.00 0.00 C ATOM 35 O PHE A -3 -15.654 -4.060 4.986 1.00 0.00 O ATOM 36 CB PHE A -3 -13.628 -3.134 2.927 1.00 0.00 C ATOM 37 CG PHE A -3 -12.398 -3.055 3.798 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.168 -3.522 3.321 1.00 0.00 C ATOM 39 CD2 PHE A -3 -12.489 -2.512 5.086 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.029 -3.448 4.132 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.349 -2.436 5.896 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.119 -2.905 5.419 1.00 0.00 C ATOM 0 H PHE A -3 -16.002 -3.761 2.075 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.550 -5.286 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.360 -2.958 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.337 -2.356 3.210 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.097 -3.939 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -13.438 -2.152 5.454 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.080 -3.810 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.419 -2.016 6.888 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.240 -2.848 6.044 1.00 0.00 H new ATOM 52 N LYS A -2 -14.090 -5.581 5.247 1.00 0.00 N ATOM 53 CA LYS A -2 -14.483 -5.813 6.665 1.00 0.00 C ATOM 54 C LYS A -2 -13.653 -4.908 7.577 1.00 0.00 C ATOM 55 O LYS A -2 -12.446 -4.834 7.461 1.00 0.00 O ATOM 56 CB LYS A -2 -14.229 -7.275 7.032 1.00 0.00 C ATOM 57 CG LYS A -2 -14.881 -7.584 8.382 1.00 0.00 C ATOM 58 CD LYS A -2 -14.397 -8.946 8.884 1.00 0.00 C ATOM 59 CE LYS A -2 -14.905 -10.050 7.951 1.00 0.00 C ATOM 60 NZ LYS A -2 -15.354 -11.216 8.762 1.00 0.00 N ATOM 0 H LYS A -2 -13.309 -6.148 4.916 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.542 -5.586 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.635 -7.930 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -13.157 -7.468 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -14.630 -6.808 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.966 -7.587 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.308 -8.963 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -14.757 -9.119 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -15.729 -9.677 7.343 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -14.115 -10.353 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -15.699 -11.966 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.556 -11.576 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -16.121 -10.921 9.400 1.00 0.00 H new ATOM 74 N ALA A -1 -14.287 -4.218 8.485 1.00 0.00 N ATOM 75 CA ALA A -1 -13.526 -3.326 9.402 1.00 0.00 C ATOM 76 C ALA A -1 -12.393 -4.120 10.053 1.00 0.00 C ATOM 77 O ALA A -1 -12.593 -4.826 11.020 1.00 0.00 O ATOM 78 CB ALA A -1 -14.459 -2.786 10.486 1.00 0.00 C ATOM 0 H ALA A -1 -15.296 -4.234 8.631 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.111 -2.492 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.899 -2.133 11.156 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.268 -2.222 10.022 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.876 -3.617 11.054 1.00 0.00 H new ATOM 84 N GLY A 1 -11.206 -4.012 9.525 1.00 0.00 N ATOM 85 CA GLY A 1 -10.062 -4.765 10.109 1.00 0.00 C ATOM 86 C GLY A 1 -9.678 -4.156 11.458 1.00 0.00 C ATOM 87 O GLY A 1 -9.944 -3.001 11.726 1.00 0.00 O ATOM 0 H GLY A 1 -10.979 -3.435 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.331 -5.813 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.210 -4.735 9.430 1.00 0.00 H new ATOM 91 N SER A 2 -9.052 -4.921 12.309 1.00 0.00 N ATOM 92 CA SER A 2 -8.648 -4.383 13.638 1.00 0.00 C ATOM 93 C SER A 2 -7.778 -3.143 13.433 1.00 0.00 C ATOM 94 O SER A 2 -7.809 -2.212 14.214 1.00 0.00 O ATOM 95 CB SER A 2 -7.854 -5.446 14.400 1.00 0.00 C ATOM 96 OG SER A 2 -8.623 -6.638 14.483 1.00 0.00 O ATOM 0 H SER A 2 -8.803 -5.896 12.141 1.00 0.00 H new ATOM 0 HA SER A 2 -9.536 -4.117 14.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.910 -5.644 13.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.610 -5.087 15.400 1.00 0.00 H new ATOM 0 HG SER A 2 -8.116 -7.321 14.969 1.00 0.00 H new ATOM 102 N ALA A 3 -7.005 -3.123 12.382 1.00 0.00 N ATOM 103 CA ALA A 3 -6.135 -1.945 12.115 1.00 0.00 C ATOM 104 C ALA A 3 -4.980 -1.913 13.115 1.00 0.00 C ATOM 105 O ALA A 3 -3.855 -1.619 12.767 1.00 0.00 O ATOM 106 CB ALA A 3 -6.962 -0.667 12.249 1.00 0.00 C ATOM 0 H ALA A 3 -6.939 -3.874 11.695 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.730 -2.017 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.329 0.198 12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.781 -0.686 11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.367 -0.600 13.259 1.00 0.00 H new ATOM 112 N LYS A 4 -5.244 -2.209 14.358 1.00 0.00 N ATOM 113 CA LYS A 4 -4.150 -2.187 15.368 1.00 0.00 C ATOM 114 C LYS A 4 -3.054 -3.170 14.952 1.00 0.00 C ATOM 115 O LYS A 4 -1.890 -2.825 14.884 1.00 0.00 O ATOM 116 CB LYS A 4 -4.708 -2.597 16.735 1.00 0.00 C ATOM 117 CG LYS A 4 -3.619 -2.447 17.797 1.00 0.00 C ATOM 118 CD LYS A 4 -4.156 -2.920 19.150 1.00 0.00 C ATOM 119 CE LYS A 4 -3.118 -2.642 20.239 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.770 -1.939 21.379 1.00 0.00 N ATOM 0 H LYS A 4 -6.165 -2.464 14.716 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.734 -1.181 15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.567 -1.976 16.990 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.059 -3.629 16.702 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.742 -3.030 17.518 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.302 -1.406 17.863 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.089 -2.406 19.382 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.381 -3.986 19.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.674 -3.577 20.580 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.308 -2.033 19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.065 -1.750 22.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.173 -1.040 21.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.528 -2.536 21.767 1.00 0.00 H new ATOM 134 N LYS A 5 -3.414 -4.390 14.658 1.00 0.00 N ATOM 135 CA LYS A 5 -2.388 -5.382 14.234 1.00 0.00 C ATOM 136 C LYS A 5 -1.768 -4.923 12.915 1.00 0.00 C ATOM 137 O LYS A 5 -0.570 -4.982 12.723 1.00 0.00 O ATOM 138 CB LYS A 5 -3.047 -6.751 14.042 1.00 0.00 C ATOM 139 CG LYS A 5 -3.588 -7.249 15.383 1.00 0.00 C ATOM 140 CD LYS A 5 -4.142 -8.666 15.216 1.00 0.00 C ATOM 141 CE LYS A 5 -4.795 -9.118 16.522 1.00 0.00 C ATOM 142 NZ LYS A 5 -6.261 -9.288 16.312 1.00 0.00 N ATOM 0 H LYS A 5 -4.371 -4.741 14.693 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.614 -5.461 14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.856 -6.678 13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.324 -7.462 13.643 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.796 -7.243 16.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.371 -6.581 15.742 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.871 -8.689 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.340 -9.351 14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.353 -10.057 16.856 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.612 -8.383 17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.706 -9.596 17.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.676 -8.383 16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.426 -10.005 15.576 1.00 0.00 H new ATOM 156 N GLY A 6 -2.583 -4.462 12.005 1.00 0.00 N ATOM 157 CA GLY A 6 -2.054 -3.990 10.695 1.00 0.00 C ATOM 158 C GLY A 6 -1.171 -2.763 10.908 1.00 0.00 C ATOM 159 O GLY A 6 -0.212 -2.546 10.193 1.00 0.00 O ATOM 0 H GLY A 6 -3.595 -4.392 12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.481 -4.784 10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.879 -3.745 10.026 1.00 0.00 H new ATOM 163 N ALA A 7 -1.485 -1.953 11.882 1.00 0.00 N ATOM 164 CA ALA A 7 -0.657 -0.740 12.127 1.00 0.00 C ATOM 165 C ALA A 7 0.791 -1.164 12.352 1.00 0.00 C ATOM 166 O ALA A 7 1.713 -0.562 11.837 1.00 0.00 O ATOM 167 CB ALA A 7 -1.174 -0.007 13.367 1.00 0.00 C ATOM 0 H ALA A 7 -2.275 -2.078 12.515 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.717 -0.074 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.567 0.881 13.545 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.211 0.289 13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.113 -0.667 14.232 1.00 0.00 H new ATOM 173 N THR A 8 0.999 -2.207 13.105 1.00 0.00 N ATOM 174 CA THR A 8 2.385 -2.677 13.349 1.00 0.00 C ATOM 175 C THR A 8 2.909 -3.367 12.089 1.00 0.00 C ATOM 176 O THR A 8 4.079 -3.296 11.773 1.00 0.00 O ATOM 177 CB THR A 8 2.385 -3.664 14.516 1.00 0.00 C ATOM 178 OG1 THR A 8 1.661 -4.829 14.147 1.00 0.00 O ATOM 179 CG2 THR A 8 1.727 -3.016 15.735 1.00 0.00 C ATOM 0 H THR A 8 0.268 -2.753 13.561 1.00 0.00 H new ATOM 0 HA THR A 8 3.027 -1.830 13.593 1.00 0.00 H new ATOM 0 HB THR A 8 3.411 -3.936 14.763 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.785 -4.571 13.792 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.728 -3.721 16.566 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.283 -2.122 16.017 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.700 -2.743 15.492 1.00 0.00 H new ATOM 187 N LEU A 9 2.050 -4.027 11.356 1.00 0.00 N ATOM 188 CA LEU A 9 2.509 -4.705 10.112 1.00 0.00 C ATOM 189 C LEU A 9 3.081 -3.636 9.183 1.00 0.00 C ATOM 190 O LEU A 9 4.117 -3.807 8.573 1.00 0.00 O ATOM 191 CB LEU A 9 1.310 -5.392 9.444 1.00 0.00 C ATOM 192 CG LEU A 9 1.781 -6.557 8.566 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.825 -6.072 7.560 1.00 0.00 C ATOM 194 CD2 LEU A 9 2.400 -7.644 9.449 1.00 0.00 C ATOM 0 H LEU A 9 1.056 -4.124 11.565 1.00 0.00 H new ATOM 0 HA LEU A 9 3.268 -5.456 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.622 -5.758 10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.761 -4.671 8.838 1.00 0.00 H new ATOM 0 HG LEU A 9 0.924 -6.960 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.151 -6.909 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.388 -5.301 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.681 -5.660 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.735 -8.473 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.251 -7.231 9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.656 -8.003 10.160 1.00 0.00 H new ATOM 206 N PHE A 10 2.414 -2.520 9.102 1.00 0.00 N ATOM 207 CA PHE A 10 2.902 -1.405 8.249 1.00 0.00 C ATOM 208 C PHE A 10 4.173 -0.824 8.872 1.00 0.00 C ATOM 209 O PHE A 10 5.167 -0.603 8.208 1.00 0.00 O ATOM 210 CB PHE A 10 1.816 -0.325 8.189 1.00 0.00 C ATOM 211 CG PHE A 10 2.252 0.802 7.288 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.968 0.756 5.918 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.939 1.897 7.824 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.371 1.804 5.085 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.341 2.945 6.990 1.00 0.00 C ATOM 216 CZ PHE A 10 3.057 2.900 5.622 1.00 0.00 C ATOM 0 H PHE A 10 1.542 -2.332 9.596 1.00 0.00 H new ATOM 0 HA PHE A 10 3.122 -1.762 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.885 -0.755 7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.617 0.057 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.438 -0.089 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.159 1.933 8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.153 1.768 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.871 3.790 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.367 3.711 4.979 1.00 0.00 H new ATOM 226 N LYS A 11 4.134 -0.572 10.152 1.00 0.00 N ATOM 227 CA LYS A 11 5.315 0.001 10.857 1.00 0.00 C ATOM 228 C LYS A 11 6.499 -0.966 10.788 1.00 0.00 C ATOM 229 O LYS A 11 7.637 -0.562 10.650 1.00 0.00 O ATOM 230 CB LYS A 11 4.952 0.231 12.326 1.00 0.00 C ATOM 231 CG LYS A 11 6.046 1.060 13.000 1.00 0.00 C ATOM 232 CD LYS A 11 5.709 1.242 14.481 1.00 0.00 C ATOM 233 CE LYS A 11 6.707 2.212 15.116 1.00 0.00 C ATOM 234 NZ LYS A 11 8.091 1.680 14.956 1.00 0.00 N ATOM 0 H LYS A 11 3.323 -0.741 10.747 1.00 0.00 H new ATOM 0 HA LYS A 11 5.593 0.940 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.994 0.746 12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.839 -0.725 12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.011 0.564 12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.132 2.032 12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.694 1.625 14.590 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.744 0.281 14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.627 3.192 14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.478 2.346 16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.729 2.167 15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.096 0.660 15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.414 1.841 13.981 1.00 0.00 H new ATOM 248 N THR A 12 6.242 -2.236 10.917 1.00 0.00 N ATOM 249 CA THR A 12 7.351 -3.233 10.898 1.00 0.00 C ATOM 250 C THR A 12 7.978 -3.345 9.505 1.00 0.00 C ATOM 251 O THR A 12 9.157 -3.613 9.378 1.00 0.00 O ATOM 252 CB THR A 12 6.807 -4.600 11.316 1.00 0.00 C ATOM 253 OG1 THR A 12 5.819 -5.021 10.386 1.00 0.00 O ATOM 254 CG2 THR A 12 6.192 -4.504 12.713 1.00 0.00 C ATOM 0 H THR A 12 5.309 -2.630 11.035 1.00 0.00 H new ATOM 0 HA THR A 12 8.121 -2.900 11.594 1.00 0.00 H new ATOM 0 HB THR A 12 7.621 -5.325 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.466 -4.241 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.805 -5.479 13.008 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.954 -4.185 13.425 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.378 -3.779 12.703 1.00 0.00 H new ATOM 262 N ARG A 13 7.221 -3.170 8.456 1.00 0.00 N ATOM 263 CA ARG A 13 7.827 -3.304 7.101 1.00 0.00 C ATOM 264 C ARG A 13 7.107 -2.423 6.073 1.00 0.00 C ATOM 265 O ARG A 13 6.624 -2.905 5.070 1.00 0.00 O ATOM 266 CB ARG A 13 7.742 -4.767 6.652 1.00 0.00 C ATOM 267 CG ARG A 13 8.644 -5.636 7.534 1.00 0.00 C ATOM 268 CD ARG A 13 8.687 -7.058 6.972 1.00 0.00 C ATOM 269 NE ARG A 13 9.392 -7.950 7.934 1.00 0.00 N ATOM 270 CZ ARG A 13 9.545 -9.217 7.659 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.079 -9.702 6.539 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.161 -9.999 8.501 1.00 0.00 N ATOM 0 H ARG A 13 6.227 -2.944 8.476 1.00 0.00 H new ATOM 0 HA ARG A 13 8.866 -2.980 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.711 -5.117 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.045 -4.855 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.649 -5.217 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.268 -5.649 8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.675 -7.422 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.200 -7.065 6.010 1.00 0.00 H new ATOM 0 HE ARG A 13 9.756 -7.571 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.596 -9.091 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.198 -10.692 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.524 -9.621 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.280 -10.989 8.285 1.00 0.00 H new ATOM 286 N CYS A 14 7.048 -1.137 6.291 1.00 0.00 N ATOM 287 CA CYS A 14 6.376 -0.258 5.290 1.00 0.00 C ATOM 288 C CYS A 14 6.627 1.212 5.628 1.00 0.00 C ATOM 289 O CYS A 14 6.910 2.017 4.761 1.00 0.00 O ATOM 290 CB CYS A 14 4.871 -0.535 5.275 1.00 0.00 C ATOM 291 SG CYS A 14 4.178 0.062 3.712 1.00 0.00 S ATOM 0 H CYS A 14 7.431 -0.661 7.108 1.00 0.00 H new ATOM 0 HA CYS A 14 6.788 -0.472 4.304 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.684 -1.603 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.388 -0.037 6.116 1.00 0.00 H new ATOM 296 N LEU A 15 6.527 1.574 6.875 1.00 0.00 N ATOM 297 CA LEU A 15 6.761 2.997 7.260 1.00 0.00 C ATOM 298 C LEU A 15 8.170 3.419 6.839 1.00 0.00 C ATOM 299 O LEU A 15 8.399 4.545 6.448 1.00 0.00 O ATOM 300 CB LEU A 15 6.607 3.145 8.778 1.00 0.00 C ATOM 301 CG LEU A 15 6.753 4.618 9.188 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.452 5.373 8.900 1.00 0.00 C ATOM 303 CD2 LEU A 15 7.057 4.696 10.685 1.00 0.00 C ATOM 0 H LEU A 15 6.294 0.948 7.646 1.00 0.00 H new ATOM 0 HA LEU A 15 6.033 3.634 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.633 2.769 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.359 2.543 9.287 1.00 0.00 H new ATOM 0 HG LEU A 15 7.565 5.070 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.564 6.417 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.228 5.318 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.637 4.922 9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.162 5.740 10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.242 4.240 11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.985 4.164 10.896 1.00 0.00 H new ATOM 315 N GLN A 16 9.120 2.528 6.925 1.00 0.00 N ATOM 316 CA GLN A 16 10.513 2.890 6.540 1.00 0.00 C ATOM 317 C GLN A 16 10.544 3.377 5.088 1.00 0.00 C ATOM 318 O GLN A 16 11.281 4.280 4.746 1.00 0.00 O ATOM 319 CB GLN A 16 11.412 1.661 6.683 1.00 0.00 C ATOM 320 CG GLN A 16 11.479 1.246 8.153 1.00 0.00 C ATOM 321 CD GLN A 16 12.344 -0.008 8.291 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.609 -0.689 7.320 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.800 -0.346 9.467 1.00 0.00 N ATOM 0 H GLN A 16 8.992 1.568 7.244 1.00 0.00 H new ATOM 0 HA GLN A 16 10.871 3.687 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.023 0.841 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.412 1.884 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.896 2.056 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.476 1.052 8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.579 0.224 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.378 -1.180 9.569 1.00 0.00 H new ATOM 332 N CYS A 17 9.759 2.785 4.231 1.00 0.00 N ATOM 333 CA CYS A 17 9.761 3.220 2.803 1.00 0.00 C ATOM 334 C CYS A 17 8.675 4.269 2.564 1.00 0.00 C ATOM 335 O CYS A 17 8.877 5.231 1.849 1.00 0.00 O ATOM 336 CB CYS A 17 9.488 2.018 1.899 1.00 0.00 C ATOM 337 SG CYS A 17 10.900 0.889 1.936 1.00 0.00 S ATOM 0 H CYS A 17 9.119 2.023 4.454 1.00 0.00 H new ATOM 0 HA CYS A 17 10.737 3.649 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.588 1.500 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.306 2.353 0.878 1.00 0.00 H new ATOM 342 N HIS A 18 7.517 4.081 3.137 1.00 0.00 N ATOM 343 CA HIS A 18 6.411 5.057 2.920 1.00 0.00 C ATOM 344 C HIS A 18 6.175 5.886 4.185 1.00 0.00 C ATOM 345 O HIS A 18 5.985 5.358 5.262 1.00 0.00 O ATOM 346 CB HIS A 18 5.140 4.282 2.567 1.00 0.00 C ATOM 347 CG HIS A 18 5.260 3.734 1.176 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.225 4.541 0.044 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.401 2.453 0.718 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.340 3.736 -1.032 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.449 2.459 -0.668 1.00 0.00 N ATOM 0 H HIS A 18 7.289 3.295 3.745 1.00 0.00 H new ATOM 0 HA HIS A 18 6.677 5.735 2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.987 3.470 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.271 4.936 2.638 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.130 5.556 0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.465 1.572 1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.343 4.081 -2.055 1.00 0.00 H new ATOM 359 N THR A 19 6.182 7.186 4.055 1.00 0.00 N ATOM 360 CA THR A 19 5.952 8.060 5.240 1.00 0.00 C ATOM 361 C THR A 19 4.449 8.296 5.421 1.00 0.00 C ATOM 362 O THR A 19 3.991 8.649 6.489 1.00 0.00 O ATOM 363 CB THR A 19 6.660 9.400 5.025 1.00 0.00 C ATOM 364 OG1 THR A 19 6.027 10.105 3.966 1.00 0.00 O ATOM 365 CG2 THR A 19 8.128 9.153 4.671 1.00 0.00 C ATOM 0 H THR A 19 6.338 7.681 3.177 1.00 0.00 H new ATOM 0 HA THR A 19 6.349 7.576 6.132 1.00 0.00 H new ATOM 0 HB THR A 19 6.604 9.991 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.510 10.852 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.631 10.108 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.613 8.614 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.187 8.561 3.758 1.00 0.00 H new ATOM 373 N VAL A 20 3.678 8.099 4.385 1.00 0.00 N ATOM 374 CA VAL A 20 2.205 8.305 4.495 1.00 0.00 C ATOM 375 C VAL A 20 1.904 9.736 4.949 1.00 0.00 C ATOM 376 O VAL A 20 0.908 9.991 5.597 1.00 0.00 O ATOM 377 CB VAL A 20 1.627 7.325 5.516 1.00 0.00 C ATOM 378 CG1 VAL A 20 0.103 7.283 5.379 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.199 5.931 5.261 1.00 0.00 C ATOM 0 H VAL A 20 4.006 7.804 3.465 1.00 0.00 H new ATOM 0 HA VAL A 20 1.752 8.135 3.518 1.00 0.00 H new ATOM 0 HB VAL A 20 1.892 7.650 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.309 6.584 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.306 8.277 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.163 6.958 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.788 5.231 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.933 5.607 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.284 5.960 5.358 1.00 0.00 H new ATOM 389 N GLU A 21 2.749 10.673 4.613 1.00 0.00 N ATOM 390 CA GLU A 21 2.500 12.084 5.028 1.00 0.00 C ATOM 391 C GLU A 21 1.997 12.885 3.823 1.00 0.00 C ATOM 392 O GLU A 21 2.351 12.612 2.694 1.00 0.00 O ATOM 393 CB GLU A 21 3.799 12.702 5.548 1.00 0.00 C ATOM 394 CG GLU A 21 4.297 11.905 6.754 1.00 0.00 C ATOM 395 CD GLU A 21 5.554 12.569 7.322 1.00 0.00 C ATOM 396 OE1 GLU A 21 6.063 13.472 6.679 1.00 0.00 O ATOM 397 OE2 GLU A 21 5.984 12.163 8.388 1.00 0.00 O ATOM 0 H GLU A 21 3.599 10.523 4.070 1.00 0.00 H new ATOM 0 HA GLU A 21 1.750 12.105 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.554 12.702 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.632 13.742 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.521 11.858 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.517 10.879 6.459 1.00 0.00 H new ATOM 404 N LYS A 22 1.176 13.874 4.056 1.00 0.00 N ATOM 405 CA LYS A 22 0.654 14.689 2.921 1.00 0.00 C ATOM 406 C LYS A 22 1.825 15.351 2.192 1.00 0.00 C ATOM 407 O LYS A 22 1.818 15.490 0.985 1.00 0.00 O ATOM 408 CB LYS A 22 -0.292 15.765 3.461 1.00 0.00 C ATOM 409 CG LYS A 22 0.486 16.732 4.358 1.00 0.00 C ATOM 410 CD LYS A 22 -0.479 17.754 4.965 1.00 0.00 C ATOM 411 CE LYS A 22 -1.430 17.055 5.939 1.00 0.00 C ATOM 412 NZ LYS A 22 -1.881 18.025 6.976 1.00 0.00 N ATOM 0 H LYS A 22 0.845 14.152 4.980 1.00 0.00 H new ATOM 0 HA LYS A 22 0.112 14.047 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.750 16.309 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.101 15.302 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.994 16.181 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.256 17.242 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.080 18.532 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.048 18.244 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.290 16.656 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.928 16.210 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.527 17.550 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.056 18.386 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.375 18.818 6.519 1.00 0.00 H new ATOM 426 N GLY A 23 2.831 15.754 2.919 1.00 0.00 N ATOM 427 CA GLY A 23 4.012 16.403 2.282 1.00 0.00 C ATOM 428 C GLY A 23 5.278 15.662 2.707 1.00 0.00 C ATOM 429 O GLY A 23 6.295 16.259 3.000 1.00 0.00 O ATOM 0 H GLY A 23 2.886 15.661 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.912 16.384 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.071 17.450 2.579 1.00 0.00 H new ATOM 433 N GLY A 24 5.222 14.357 2.747 1.00 0.00 N ATOM 434 CA GLY A 24 6.418 13.573 3.161 1.00 0.00 C ATOM 435 C GLY A 24 7.558 13.805 2.168 1.00 0.00 C ATOM 436 O GLY A 24 7.338 14.160 1.028 1.00 0.00 O ATOM 0 H GLY A 24 4.399 13.802 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.730 13.869 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.172 12.512 3.205 1.00 0.00 H new ATOM 440 N PRO A 25 8.773 13.598 2.605 1.00 0.00 N ATOM 441 CA PRO A 25 9.985 13.780 1.752 1.00 0.00 C ATOM 442 C PRO A 25 10.117 12.684 0.695 1.00 0.00 C ATOM 443 O PRO A 25 11.011 12.709 -0.126 1.00 0.00 O ATOM 444 CB PRO A 25 11.143 13.685 2.744 1.00 0.00 C ATOM 445 CG PRO A 25 10.622 12.861 3.870 1.00 0.00 C ATOM 446 CD PRO A 25 9.128 13.162 3.965 1.00 0.00 C ATOM 0 HA PRO A 25 9.951 14.720 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.017 13.221 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.450 14.673 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.794 11.800 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.129 13.111 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.560 12.281 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.922 13.939 4.701 1.00 0.00 H new ATOM 454 N HIS A 26 9.248 11.712 0.729 1.00 0.00 N ATOM 455 CA HIS A 26 9.333 10.599 -0.256 1.00 0.00 C ATOM 456 C HIS A 26 10.678 9.897 -0.090 1.00 0.00 C ATOM 457 O HIS A 26 11.524 9.939 -0.961 1.00 0.00 O ATOM 458 CB HIS A 26 9.205 11.137 -1.685 1.00 0.00 C ATOM 459 CG HIS A 26 7.973 11.991 -1.799 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.726 11.453 -2.082 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.780 13.346 -1.681 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.847 12.468 -2.126 1.00 0.00 C ATOM 463 NE2 HIS A 26 6.438 13.640 -1.888 1.00 0.00 N ATOM 0 H HIS A 26 8.481 11.641 1.398 1.00 0.00 H new ATOM 0 HA HIS A 26 8.519 9.897 -0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.088 11.721 -1.944 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.151 10.309 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.551 14.070 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.793 12.350 -2.329 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.997 14.559 -1.863 1.00 0.00 H new ATOM 472 N LYS A 27 10.887 9.264 1.031 1.00 0.00 N ATOM 473 CA LYS A 27 12.185 8.569 1.268 1.00 0.00 C ATOM 474 C LYS A 27 12.435 7.544 0.156 1.00 0.00 C ATOM 475 O LYS A 27 12.554 7.890 -1.003 1.00 0.00 O ATOM 476 CB LYS A 27 12.142 7.866 2.629 1.00 0.00 C ATOM 477 CG LYS A 27 13.553 7.423 3.023 1.00 0.00 C ATOM 478 CD LYS A 27 13.500 6.666 4.352 1.00 0.00 C ATOM 479 CE LYS A 27 14.922 6.374 4.831 1.00 0.00 C ATOM 480 NZ LYS A 27 15.104 6.917 6.207 1.00 0.00 N ATOM 0 H LYS A 27 10.214 9.197 1.795 1.00 0.00 H new ATOM 0 HA LYS A 27 12.995 9.298 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.737 8.539 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.478 7.002 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.975 6.786 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.206 8.291 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.968 7.257 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.948 5.734 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.106 5.300 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.646 6.825 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.071 6.719 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.945 7.945 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.422 6.467 6.851 1.00 0.00 H new ATOM 494 N VAL A 28 12.525 6.287 0.493 1.00 0.00 N ATOM 495 CA VAL A 28 12.777 5.252 -0.549 1.00 0.00 C ATOM 496 C VAL A 28 11.602 5.209 -1.527 1.00 0.00 C ATOM 497 O VAL A 28 11.784 5.071 -2.722 1.00 0.00 O ATOM 498 CB VAL A 28 12.937 3.883 0.117 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.122 2.809 -0.957 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.163 3.904 1.033 1.00 0.00 C ATOM 0 H VAL A 28 12.435 5.932 1.445 1.00 0.00 H new ATOM 0 HA VAL A 28 13.689 5.502 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 28 12.046 3.658 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.236 1.835 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.250 2.794 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.012 3.032 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.279 2.930 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.053 4.129 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.032 4.668 1.799 1.00 0.00 H new ATOM 510 N GLY A 29 10.398 5.320 -1.031 1.00 0.00 N ATOM 511 CA GLY A 29 9.208 5.282 -1.930 1.00 0.00 C ATOM 512 C GLY A 29 8.347 6.524 -1.699 1.00 0.00 C ATOM 513 O GLY A 29 8.474 7.201 -0.697 1.00 0.00 O ATOM 0 H GLY A 29 10.187 5.436 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.528 5.238 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.624 4.382 -1.738 1.00 0.00 H new ATOM 517 N PRO A 30 7.475 6.815 -2.624 1.00 0.00 N ATOM 518 CA PRO A 30 6.564 7.995 -2.538 1.00 0.00 C ATOM 519 C PRO A 30 5.649 7.924 -1.311 1.00 0.00 C ATOM 520 O PRO A 30 5.302 6.857 -0.847 1.00 0.00 O ATOM 521 CB PRO A 30 5.738 7.933 -3.828 1.00 0.00 C ATOM 522 CG PRO A 30 5.908 6.547 -4.358 1.00 0.00 C ATOM 523 CD PRO A 30 7.260 6.049 -3.857 1.00 0.00 C ATOM 0 HA PRO A 30 7.122 8.926 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.688 8.149 -3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.085 8.672 -4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.104 5.898 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.873 6.542 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.246 4.976 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.050 6.232 -4.586 1.00 0.00 H new ATOM 531 N ASN A 31 5.257 9.051 -0.781 1.00 0.00 N ATOM 532 CA ASN A 31 4.369 9.041 0.414 1.00 0.00 C ATOM 533 C ASN A 31 2.919 8.819 -0.034 1.00 0.00 C ATOM 534 O ASN A 31 2.486 9.346 -1.038 1.00 0.00 O ATOM 535 CB ASN A 31 4.479 10.385 1.138 1.00 0.00 C ATOM 536 CG ASN A 31 5.949 10.809 1.222 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.277 11.949 0.959 1.00 0.00 O ATOM 538 ND2 ASN A 31 6.856 9.939 1.578 1.00 0.00 N ATOM 0 H ASN A 31 5.514 9.977 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 31 4.669 8.239 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.902 11.143 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 31 4.056 10.305 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.836 10.218 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.585 8.981 1.800 1.00 0.00 H new ATOM 545 N LEU A 32 2.167 8.042 0.700 1.00 0.00 N ATOM 546 CA LEU A 32 0.750 7.787 0.306 1.00 0.00 C ATOM 547 C LEU A 32 -0.187 8.701 1.099 1.00 0.00 C ATOM 548 O LEU A 32 0.004 8.937 2.275 1.00 0.00 O ATOM 549 CB LEU A 32 0.383 6.327 0.590 1.00 0.00 C ATOM 550 CG LEU A 32 1.205 5.399 -0.312 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.649 5.307 0.191 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.578 4.004 -0.306 1.00 0.00 C ATOM 0 H LEU A 32 2.472 7.574 1.553 1.00 0.00 H new ATOM 0 HA LEU A 32 0.643 7.991 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.572 6.092 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.681 6.170 0.415 1.00 0.00 H new ATOM 0 HG LEU A 32 1.209 5.802 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.220 4.645 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.100 6.299 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.656 4.912 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.160 3.341 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.571 3.612 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.445 4.063 -0.679 1.00 0.00 H new ATOM 564 N HIS A 33 -1.207 9.207 0.460 1.00 0.00 N ATOM 565 CA HIS A 33 -2.169 10.097 1.167 1.00 0.00 C ATOM 566 C HIS A 33 -3.367 10.362 0.255 1.00 0.00 C ATOM 567 O HIS A 33 -3.327 11.219 -0.606 1.00 0.00 O ATOM 568 CB HIS A 33 -1.487 11.421 1.517 1.00 0.00 C ATOM 569 CG HIS A 33 -2.429 12.275 2.320 1.00 0.00 C ATOM 570 ND1 HIS A 33 -2.842 11.922 3.597 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.049 13.468 2.041 1.00 0.00 C ATOM 572 CE1 HIS A 33 -3.672 12.887 4.036 1.00 0.00 C ATOM 573 NE2 HIS A 33 -3.830 13.848 3.126 1.00 0.00 N ATOM 0 H HIS A 33 -1.415 9.041 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.505 9.616 2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.576 11.234 2.085 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.193 11.943 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.946 14.025 1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.150 12.883 5.004 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.404 14.687 3.209 1.00 0.00 H new ATOM 582 N GLY A 34 -4.430 9.627 0.429 1.00 0.00 N ATOM 583 CA GLY A 34 -5.625 9.830 -0.437 1.00 0.00 C ATOM 584 C GLY A 34 -5.486 8.960 -1.686 1.00 0.00 C ATOM 585 O GLY A 34 -6.274 9.042 -2.605 1.00 0.00 O ATOM 0 H GLY A 34 -4.523 8.895 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.533 9.567 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.714 10.880 -0.717 1.00 0.00 H new ATOM 589 N ILE A 35 -4.481 8.128 -1.721 1.00 0.00 N ATOM 590 CA ILE A 35 -4.276 7.249 -2.905 1.00 0.00 C ATOM 591 C ILE A 35 -5.509 6.369 -3.117 1.00 0.00 C ATOM 592 O ILE A 35 -5.761 5.890 -4.205 1.00 0.00 O ATOM 593 CB ILE A 35 -3.051 6.360 -2.671 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.647 5.688 -3.986 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.386 5.290 -1.631 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.247 5.090 -3.845 1.00 0.00 C ATOM 0 H ILE A 35 -3.791 8.020 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.119 7.867 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.225 6.971 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.363 4.907 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.663 6.415 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.514 4.658 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.670 5.769 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.214 4.679 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.960 4.612 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.536 5.881 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.246 4.350 -3.044 1.00 0.00 H new ATOM 608 N PHE A 36 -6.276 6.146 -2.086 1.00 0.00 N ATOM 609 CA PHE A 36 -7.484 5.293 -2.234 1.00 0.00 C ATOM 610 C PHE A 36 -8.488 5.984 -3.160 1.00 0.00 C ATOM 611 O PHE A 36 -8.760 7.160 -3.032 1.00 0.00 O ATOM 612 CB PHE A 36 -8.117 5.081 -0.859 1.00 0.00 C ATOM 613 CG PHE A 36 -7.226 4.190 -0.028 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.350 2.799 -0.122 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.275 4.751 0.838 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.526 1.967 0.646 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.451 3.919 1.606 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.579 2.527 1.509 1.00 0.00 C ATOM 0 H PHE A 36 -6.117 6.518 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.205 4.330 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.258 6.040 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.103 4.629 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.082 2.367 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.179 5.824 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.622 0.894 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.718 4.350 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.945 1.885 2.102 1.00 0.00 H new ATOM 628 N GLY A 37 -9.038 5.258 -4.097 1.00 0.00 N ATOM 629 CA GLY A 37 -10.020 5.870 -5.034 1.00 0.00 C ATOM 630 C GLY A 37 -9.279 6.771 -6.023 1.00 0.00 C ATOM 631 O GLY A 37 -9.851 7.668 -6.610 1.00 0.00 O ATOM 0 H GLY A 37 -8.849 4.268 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.563 5.091 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.758 6.449 -4.479 1.00 0.00 H new ATOM 635 N ARG A 38 -8.006 6.540 -6.209 1.00 0.00 N ATOM 636 CA ARG A 38 -7.225 7.387 -7.155 1.00 0.00 C ATOM 637 C ARG A 38 -6.330 6.501 -8.022 1.00 0.00 C ATOM 638 O ARG A 38 -6.057 5.363 -7.694 1.00 0.00 O ATOM 639 CB ARG A 38 -6.354 8.370 -6.366 1.00 0.00 C ATOM 640 CG ARG A 38 -7.228 9.233 -5.449 1.00 0.00 C ATOM 641 CD ARG A 38 -8.034 10.237 -6.279 1.00 0.00 C ATOM 642 NE ARG A 38 -8.638 11.254 -5.373 1.00 0.00 N ATOM 643 CZ ARG A 38 -9.622 10.923 -4.583 1.00 0.00 C ATOM 644 NH1 ARG A 38 -10.079 9.700 -4.587 1.00 0.00 N ATOM 645 NH2 ARG A 38 -10.150 11.814 -3.789 1.00 0.00 N ATOM 0 H ARG A 38 -7.475 5.802 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.914 7.941 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.621 7.823 -5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.797 9.006 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.904 8.598 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.602 9.763 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.388 10.723 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.815 9.721 -6.837 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.282 12.210 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.667 9.004 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.848 9.441 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.793 12.770 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.919 11.555 -3.172 1.00 0.00 H new ATOM 659 N HIS A 39 -5.867 7.018 -9.128 1.00 0.00 N ATOM 660 CA HIS A 39 -4.987 6.213 -10.021 1.00 0.00 C ATOM 661 C HIS A 39 -3.529 6.395 -9.596 1.00 0.00 C ATOM 662 O HIS A 39 -3.171 7.374 -8.971 1.00 0.00 O ATOM 663 CB HIS A 39 -5.159 6.684 -11.466 1.00 0.00 C ATOM 664 CG HIS A 39 -6.558 6.386 -11.929 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.599 7.290 -11.767 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.105 5.291 -12.552 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.709 6.727 -12.282 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.460 5.512 -12.772 1.00 0.00 N ATOM 0 H HIS A 39 -6.061 7.966 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.259 5.160 -9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.962 7.754 -11.537 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.437 6.183 -12.111 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.566 4.397 -12.828 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.680 7.201 -12.296 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.124 4.878 -13.215 1.00 0.00 H new ATOM 677 N SER A 40 -2.684 5.456 -9.924 1.00 0.00 N ATOM 678 CA SER A 40 -1.250 5.572 -9.533 1.00 0.00 C ATOM 679 C SER A 40 -0.644 6.822 -10.172 1.00 0.00 C ATOM 680 O SER A 40 -1.037 7.238 -11.245 1.00 0.00 O ATOM 681 CB SER A 40 -0.489 4.338 -10.016 1.00 0.00 C ATOM 682 OG SER A 40 0.643 4.131 -9.181 1.00 0.00 O ATOM 0 H SER A 40 -2.925 4.613 -10.446 1.00 0.00 H new ATOM 0 HA SER A 40 -1.176 5.646 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.138 3.463 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.173 4.472 -11.051 1.00 0.00 H new ATOM 0 HG SER A 40 1.449 4.452 -9.637 1.00 0.00 H new ATOM 688 N GLY A 41 0.316 7.422 -9.524 1.00 0.00 N ATOM 689 CA GLY A 41 0.956 8.640 -10.093 1.00 0.00 C ATOM 690 C GLY A 41 0.320 9.893 -9.487 1.00 0.00 C ATOM 691 O GLY A 41 0.749 11.000 -9.744 1.00 0.00 O ATOM 0 H GLY A 41 0.685 7.120 -8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.026 8.629 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.840 8.650 -11.177 1.00 0.00 H new ATOM 695 N GLN A 42 -0.697 9.733 -8.685 1.00 0.00 N ATOM 696 CA GLN A 42 -1.348 10.925 -8.071 1.00 0.00 C ATOM 697 C GLN A 42 -0.336 11.686 -7.215 1.00 0.00 C ATOM 698 O GLN A 42 -0.332 12.901 -7.178 1.00 0.00 O ATOM 699 CB GLN A 42 -2.519 10.483 -7.191 1.00 0.00 C ATOM 700 CG GLN A 42 -3.257 11.722 -6.679 1.00 0.00 C ATOM 701 CD GLN A 42 -4.336 11.300 -5.680 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.565 11.702 -5.858 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -4.060 10.598 -4.727 1.00 0.00 N flip ATOM 0 H GLN A 42 -1.104 8.833 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.715 11.574 -8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.199 9.849 -7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.156 9.889 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.554 12.406 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.709 12.259 -7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.100 10.283 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.788 10.324 -4.068 1.00 0.00 H new ATOM 712 N ALA A 43 0.519 10.988 -6.519 1.00 0.00 N ATOM 713 CA ALA A 43 1.518 11.688 -5.666 1.00 0.00 C ATOM 714 C ALA A 43 2.322 12.655 -6.531 1.00 0.00 C ATOM 715 O ALA A 43 2.688 12.347 -7.647 1.00 0.00 O ATOM 716 CB ALA A 43 2.460 10.666 -5.028 1.00 0.00 C ATOM 0 H ALA A 43 0.569 9.969 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 43 1.004 12.239 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.189 11.183 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.884 9.974 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.979 10.112 -5.810 1.00 0.00 H new ATOM 722 N GLU A 44 2.595 13.827 -6.024 1.00 0.00 N ATOM 723 CA GLU A 44 3.371 14.825 -6.811 1.00 0.00 C ATOM 724 C GLU A 44 4.680 15.139 -6.085 1.00 0.00 C ATOM 725 O GLU A 44 4.763 15.069 -4.875 1.00 0.00 O ATOM 726 CB GLU A 44 2.541 16.105 -6.954 1.00 0.00 C ATOM 727 CG GLU A 44 1.248 15.792 -7.711 1.00 0.00 C ATOM 728 CD GLU A 44 1.584 15.314 -9.125 1.00 0.00 C ATOM 729 OE1 GLU A 44 2.692 15.565 -9.567 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.724 14.708 -9.743 1.00 0.00 O ATOM 0 H GLU A 44 2.312 14.136 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 44 3.596 14.423 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.309 16.513 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.113 16.864 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.682 15.025 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.617 16.680 -7.757 1.00 0.00 H new ATOM 737 N GLY A 45 5.705 15.485 -6.814 1.00 0.00 N ATOM 738 CA GLY A 45 7.008 15.803 -6.166 1.00 0.00 C ATOM 739 C GLY A 45 7.895 14.557 -6.158 1.00 0.00 C ATOM 740 O GLY A 45 8.994 14.570 -5.641 1.00 0.00 O ATOM 0 H GLY A 45 5.696 15.561 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.505 16.612 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.843 16.151 -5.146 1.00 0.00 H new ATOM 744 N TYR A 46 7.429 13.479 -6.731 1.00 0.00 N ATOM 745 CA TYR A 46 8.250 12.234 -6.756 1.00 0.00 C ATOM 746 C TYR A 46 8.174 11.605 -8.150 1.00 0.00 C ATOM 747 O TYR A 46 7.253 11.854 -8.904 1.00 0.00 O ATOM 748 CB TYR A 46 7.721 11.242 -5.716 1.00 0.00 C ATOM 749 CG TYR A 46 8.688 10.088 -5.591 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.840 10.225 -4.808 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.438 8.882 -6.259 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.739 9.160 -4.688 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.338 7.815 -6.140 1.00 0.00 C ATOM 754 CZ TYR A 46 10.487 7.955 -5.355 1.00 0.00 C ATOM 755 OH TYR A 46 11.375 6.904 -5.237 1.00 0.00 O ATOM 0 H TYR A 46 6.517 13.407 -7.182 1.00 0.00 H new ATOM 0 HA TYR A 46 9.286 12.479 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.601 11.737 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.737 10.877 -6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.035 11.155 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.551 8.775 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.626 9.267 -4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.145 6.885 -6.654 1.00 0.00 H new ATOM 0 HH TYR A 46 11.283 6.496 -4.351 1.00 0.00 H new ATOM 765 N SER A 47 9.136 10.796 -8.500 1.00 0.00 N ATOM 766 CA SER A 47 9.121 10.158 -9.848 1.00 0.00 C ATOM 767 C SER A 47 8.571 8.734 -9.737 1.00 0.00 C ATOM 768 O SER A 47 8.741 8.070 -8.733 1.00 0.00 O ATOM 769 CB SER A 47 10.544 10.112 -10.405 1.00 0.00 C ATOM 770 OG SER A 47 10.512 9.612 -11.735 1.00 0.00 O ATOM 0 H SER A 47 9.932 10.549 -7.912 1.00 0.00 H new ATOM 0 HA SER A 47 8.486 10.740 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.985 11.109 -10.389 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.171 9.476 -9.780 1.00 0.00 H new ATOM 0 HG SER A 47 11.423 9.583 -12.096 1.00 0.00 H new ATOM 776 N TYR A 48 7.911 8.265 -10.762 1.00 0.00 N ATOM 777 CA TYR A 48 7.343 6.885 -10.724 1.00 0.00 C ATOM 778 C TYR A 48 8.116 5.974 -11.677 1.00 0.00 C ATOM 779 O TYR A 48 8.507 6.370 -12.757 1.00 0.00 O ATOM 780 CB TYR A 48 5.872 6.925 -11.145 1.00 0.00 C ATOM 781 CG TYR A 48 5.024 7.375 -9.982 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.929 8.735 -9.664 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.335 6.426 -9.216 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.142 9.145 -8.581 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.549 6.837 -8.134 1.00 0.00 C ATOM 786 CZ TYR A 48 3.452 8.196 -7.816 1.00 0.00 C ATOM 787 OH TYR A 48 2.675 8.599 -6.750 1.00 0.00 O ATOM 0 H TYR A 48 7.740 8.779 -11.626 1.00 0.00 H new ATOM 0 HA TYR A 48 7.425 6.496 -9.709 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.743 7.605 -11.987 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.553 5.938 -11.481 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.462 9.467 -10.253 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.411 5.377 -9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.067 10.194 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.017 6.105 -7.544 1.00 0.00 H new ATOM 0 HH TYR A 48 3.091 8.305 -5.913 1.00 0.00 H new ATOM 797 N THR A 49 8.334 4.748 -11.284 1.00 0.00 N ATOM 798 CA THR A 49 9.075 3.798 -12.159 1.00 0.00 C ATOM 799 C THR A 49 8.175 3.371 -13.319 1.00 0.00 C ATOM 800 O THR A 49 6.971 3.271 -13.179 1.00 0.00 O ATOM 801 CB THR A 49 9.480 2.564 -11.346 1.00 0.00 C ATOM 802 OG1 THR A 49 10.220 2.975 -10.205 1.00 0.00 O ATOM 803 CG2 THR A 49 10.340 1.641 -12.210 1.00 0.00 C ATOM 0 H THR A 49 8.029 4.363 -10.390 1.00 0.00 H new ATOM 0 HA THR A 49 9.969 4.284 -12.550 1.00 0.00 H new ATOM 0 HB THR A 49 8.586 2.028 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.628 3.449 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.627 0.764 -11.631 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.771 1.327 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.235 2.173 -12.531 1.00 0.00 H new ATOM 811 N ASP A 50 8.744 3.126 -14.465 1.00 0.00 N ATOM 812 CA ASP A 50 7.919 2.714 -15.635 1.00 0.00 C ATOM 813 C ASP A 50 7.020 1.537 -15.246 1.00 0.00 C ATOM 814 O ASP A 50 5.896 1.429 -15.694 1.00 0.00 O ATOM 815 CB ASP A 50 8.837 2.297 -16.782 1.00 0.00 C ATOM 816 CG ASP A 50 9.580 3.522 -17.316 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.210 4.622 -16.945 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.507 3.338 -18.087 1.00 0.00 O ATOM 0 H ASP A 50 9.746 3.193 -14.643 1.00 0.00 H new ATOM 0 HA ASP A 50 7.297 3.552 -15.951 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.550 1.549 -16.437 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.253 1.837 -17.579 1.00 0.00 H new ATOM 823 N ALA A 51 7.508 0.651 -14.421 1.00 0.00 N ATOM 824 CA ALA A 51 6.683 -0.522 -14.010 1.00 0.00 C ATOM 825 C ALA A 51 5.247 -0.076 -13.714 1.00 0.00 C ATOM 826 O ALA A 51 4.333 -0.370 -14.457 1.00 0.00 O ATOM 827 CB ALA A 51 7.287 -1.151 -12.752 1.00 0.00 C ATOM 0 H ALA A 51 8.442 0.688 -14.013 1.00 0.00 H new ATOM 0 HA ALA A 51 6.671 -1.252 -14.820 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.686 -2.009 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.306 -1.478 -12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.300 -0.415 -11.948 1.00 0.00 H new ATOM 833 N ASN A 52 5.041 0.625 -12.631 1.00 0.00 N ATOM 834 CA ASN A 52 3.660 1.080 -12.287 1.00 0.00 C ATOM 835 C ASN A 52 3.033 1.823 -13.471 1.00 0.00 C ATOM 836 O ASN A 52 1.863 1.668 -13.757 1.00 0.00 O ATOM 837 CB ASN A 52 3.712 2.012 -11.075 1.00 0.00 C ATOM 838 CG ASN A 52 2.300 2.505 -10.742 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.967 3.644 -11.007 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.446 1.696 -10.170 1.00 0.00 N ATOM 0 H ASN A 52 5.767 0.902 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 52 3.052 0.206 -12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.136 1.487 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.364 2.860 -11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.505 2.021 -9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.721 0.740 -9.946 1.00 0.00 H new ATOM 847 N ILE A 53 3.789 2.634 -14.160 1.00 0.00 N ATOM 848 CA ILE A 53 3.213 3.377 -15.309 1.00 0.00 C ATOM 849 C ILE A 53 2.616 2.385 -16.308 1.00 0.00 C ATOM 850 O ILE A 53 1.459 2.475 -16.670 1.00 0.00 O ATOM 851 CB ILE A 53 4.319 4.179 -15.987 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.935 5.155 -14.980 1.00 0.00 C ATOM 853 CG2 ILE A 53 3.729 4.963 -17.154 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.131 5.863 -15.619 1.00 0.00 C ATOM 0 H ILE A 53 4.776 2.812 -13.976 1.00 0.00 H new ATOM 0 HA ILE A 53 2.431 4.051 -14.959 1.00 0.00 H new ATOM 0 HB ILE A 53 5.090 3.500 -16.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.191 5.887 -14.666 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.252 4.619 -14.086 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.517 5.538 -17.641 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.288 4.271 -17.871 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.960 5.642 -16.785 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.569 6.557 -14.902 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.878 5.124 -15.911 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.800 6.412 -16.500 1.00 0.00 H new ATOM 866 N LYS A 54 3.390 1.431 -16.747 1.00 0.00 N ATOM 867 CA LYS A 54 2.860 0.428 -17.712 1.00 0.00 C ATOM 868 C LYS A 54 1.722 -0.350 -17.050 1.00 0.00 C ATOM 869 O LYS A 54 0.730 -0.673 -17.670 1.00 0.00 O ATOM 870 CB LYS A 54 3.976 -0.538 -18.112 1.00 0.00 C ATOM 871 CG LYS A 54 3.470 -1.476 -19.211 1.00 0.00 C ATOM 872 CD LYS A 54 4.565 -2.481 -19.570 1.00 0.00 C ATOM 873 CE LYS A 54 4.118 -3.315 -20.774 1.00 0.00 C ATOM 874 NZ LYS A 54 4.373 -2.552 -22.028 1.00 0.00 N ATOM 0 H LYS A 54 4.366 1.303 -16.479 1.00 0.00 H new ATOM 0 HA LYS A 54 2.489 0.936 -18.602 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.844 0.019 -18.465 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.299 -1.116 -17.246 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.577 -2.001 -18.872 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.187 -0.901 -20.092 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.493 -1.957 -19.801 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.770 -3.131 -18.719 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.658 -4.261 -20.795 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.058 -3.555 -20.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.681 -2.833 -22.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.282 -1.533 -21.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.334 -2.757 -22.370 1.00 0.00 H new ATOM 888 N LYS A 55 1.865 -0.651 -15.788 1.00 0.00 N ATOM 889 CA LYS A 55 0.803 -1.408 -15.070 1.00 0.00 C ATOM 890 C LYS A 55 -0.064 -0.438 -14.265 1.00 0.00 C ATOM 891 O LYS A 55 -0.661 -0.809 -13.274 1.00 0.00 O ATOM 892 CB LYS A 55 1.448 -2.419 -14.119 1.00 0.00 C ATOM 893 CG LYS A 55 2.254 -3.437 -14.927 1.00 0.00 C ATOM 894 CD LYS A 55 2.792 -4.521 -13.992 1.00 0.00 C ATOM 895 CE LYS A 55 3.692 -5.473 -14.783 1.00 0.00 C ATOM 896 NZ LYS A 55 2.928 -6.037 -15.932 1.00 0.00 N ATOM 0 H LYS A 55 2.676 -0.403 -15.222 1.00 0.00 H new ATOM 0 HA LYS A 55 0.183 -1.934 -15.796 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.098 -1.905 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.680 -2.927 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.626 -3.885 -15.697 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.079 -2.940 -15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.353 -4.067 -13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.966 -5.073 -13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.573 -4.942 -15.143 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.046 -6.277 -14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.190 -7.035 -16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.909 -5.970 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.152 -5.501 -16.795 1.00 0.00 H new ATOM 910 N ASN A 56 -0.133 0.802 -14.672 1.00 0.00 N ATOM 911 CA ASN A 56 -0.959 1.781 -13.912 1.00 0.00 C ATOM 912 C ASN A 56 -2.291 1.129 -13.544 1.00 0.00 C ATOM 913 O ASN A 56 -2.988 0.598 -14.385 1.00 0.00 O ATOM 914 CB ASN A 56 -1.215 3.022 -14.769 1.00 0.00 C ATOM 915 CG ASN A 56 -1.679 4.167 -13.868 1.00 0.00 C ATOM 916 OD1 ASN A 56 -1.838 3.951 -12.590 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -1.899 5.270 -14.330 1.00 0.00 N flip ATOM 0 H ASN A 56 0.344 1.176 -15.492 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.430 2.079 -13.007 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.306 3.306 -15.300 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.971 2.808 -15.524 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.775 5.439 -15.328 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.208 6.026 -13.719 1.00 0.00 H new ATOM 924 N VAL A 57 -2.639 1.149 -12.287 1.00 0.00 N ATOM 925 CA VAL A 57 -3.912 0.512 -11.853 1.00 0.00 C ATOM 926 C VAL A 57 -4.654 1.429 -10.879 1.00 0.00 C ATOM 927 O VAL A 57 -4.058 2.210 -10.166 1.00 0.00 O ATOM 928 CB VAL A 57 -3.595 -0.809 -11.155 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.762 -0.527 -9.907 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.900 -1.500 -10.753 1.00 0.00 C ATOM 0 H VAL A 57 -2.094 1.581 -11.540 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.541 0.335 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.037 -1.457 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.532 -1.466 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.834 -0.032 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.325 0.118 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.674 -2.443 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.459 -0.856 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.498 -1.694 -11.643 1.00 0.00 H new ATOM 940 N LEU A 58 -5.955 1.327 -10.836 1.00 0.00 N ATOM 941 CA LEU A 58 -6.741 2.178 -9.899 1.00 0.00 C ATOM 942 C LEU A 58 -6.497 1.689 -8.472 1.00 0.00 C ATOM 943 O LEU A 58 -6.530 0.506 -8.200 1.00 0.00 O ATOM 944 CB LEU A 58 -8.232 2.065 -10.235 1.00 0.00 C ATOM 945 CG LEU A 58 -9.054 2.912 -9.258 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.706 4.389 -9.438 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.542 2.705 -9.540 1.00 0.00 C ATOM 0 H LEU A 58 -6.507 0.690 -11.410 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.433 3.219 -9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.409 2.399 -11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.548 1.023 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.826 2.609 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.292 4.988 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.644 4.539 -9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.933 4.694 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.131 3.306 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.764 3.009 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.794 1.652 -9.412 1.00 0.00 H new ATOM 959 N TRP A 59 -6.239 2.585 -7.561 1.00 0.00 N ATOM 960 CA TRP A 59 -5.982 2.155 -6.162 1.00 0.00 C ATOM 961 C TRP A 59 -7.262 2.263 -5.336 1.00 0.00 C ATOM 962 O TRP A 59 -7.874 3.310 -5.238 1.00 0.00 O ATOM 963 CB TRP A 59 -4.895 3.043 -5.555 1.00 0.00 C ATOM 964 CG TRP A 59 -3.605 2.781 -6.261 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.005 3.628 -7.129 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.752 1.605 -6.180 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.835 3.045 -7.584 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.637 1.797 -7.029 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.836 0.403 -5.460 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.641 0.829 -7.158 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.836 -0.573 -5.587 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.741 -0.360 -6.436 1.00 0.00 C ATOM 0 H TRP A 59 -6.195 3.591 -7.725 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.651 1.117 -6.158 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.170 4.093 -5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.790 2.836 -4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.378 4.599 -7.419 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.197 3.484 -8.248 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.676 0.228 -4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.201 0.999 -7.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.910 -1.494 -5.027 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.024 -1.116 -6.531 1.00 0.00 H new ATOM 983 N ASP A 60 -7.662 1.175 -4.737 1.00 0.00 N ATOM 984 CA ASP A 60 -8.894 1.169 -3.900 1.00 0.00 C ATOM 985 C ASP A 60 -8.762 0.073 -2.837 1.00 0.00 C ATOM 986 O ASP A 60 -7.791 -0.652 -2.803 1.00 0.00 O ATOM 987 CB ASP A 60 -10.115 0.900 -4.781 1.00 0.00 C ATOM 988 CG ASP A 60 -9.960 -0.457 -5.460 1.00 0.00 C ATOM 989 OD1 ASP A 60 -9.021 -1.157 -5.123 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.773 -0.770 -6.312 1.00 0.00 O ATOM 0 H ASP A 60 -7.180 0.278 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.019 2.137 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.023 0.916 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.216 1.685 -5.531 1.00 0.00 H new ATOM 995 N GLU A 61 -9.718 -0.047 -1.959 1.00 0.00 N ATOM 996 CA GLU A 61 -9.619 -1.085 -0.892 1.00 0.00 C ATOM 997 C GLU A 61 -9.529 -2.486 -1.507 1.00 0.00 C ATOM 998 O GLU A 61 -8.799 -3.333 -1.032 1.00 0.00 O ATOM 999 CB GLU A 61 -10.861 -1.007 -0.003 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.911 0.360 0.682 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.124 0.421 1.611 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.908 -0.513 1.592 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.249 1.402 2.322 1.00 0.00 O ATOM 0 H GLU A 61 -10.561 0.526 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.719 -0.901 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.760 -1.160 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.837 -1.800 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.996 0.528 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.972 1.151 -0.065 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.265 -2.745 -2.553 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.216 -4.099 -3.179 1.00 0.00 C ATOM 1012 C ASN A 62 -8.872 -4.316 -3.882 1.00 0.00 C ATOM 1013 O ASN A 62 -8.162 -5.264 -3.614 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.341 -4.218 -4.207 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.369 -5.638 -4.772 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.860 -6.550 -4.136 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.848 -5.865 -5.947 1.00 0.00 N ATOM 0 H ASN A 62 -10.896 -2.081 -3.001 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.335 -4.852 -2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.298 -3.981 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.190 -3.498 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.852 -6.809 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.436 -5.098 -6.479 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.534 -3.449 -4.792 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.252 -3.596 -5.540 1.00 0.00 C ATOM 1026 C ASN A 63 -6.061 -3.578 -4.579 1.00 0.00 C ATOM 1027 O ASN A 63 -5.101 -4.301 -4.757 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.121 -2.444 -6.537 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.957 -2.720 -7.488 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.949 -3.713 -8.189 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.963 -1.874 -7.545 1.00 0.00 N ATOM 0 H ASN A 63 -9.094 -2.637 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.257 -4.550 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.046 -2.331 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.956 -1.507 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.182 -2.047 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.968 -1.040 -6.957 1.00 0.00 H new ATOM 1038 N MET A 64 -6.105 -2.756 -3.571 1.00 0.00 N ATOM 1039 CA MET A 64 -4.960 -2.697 -2.617 1.00 0.00 C ATOM 1040 C MET A 64 -4.741 -4.069 -1.979 1.00 0.00 C ATOM 1041 O MET A 64 -3.623 -4.505 -1.799 1.00 0.00 O ATOM 1042 CB MET A 64 -5.260 -1.670 -1.526 1.00 0.00 C ATOM 1043 CG MET A 64 -5.184 -0.265 -2.121 1.00 0.00 C ATOM 1044 SD MET A 64 -3.461 0.280 -2.154 1.00 0.00 S ATOM 1045 CE MET A 64 -3.775 2.011 -1.736 1.00 0.00 C ATOM 0 H MET A 64 -6.879 -2.124 -3.365 1.00 0.00 H new ATOM 0 HA MET A 64 -4.059 -2.406 -3.157 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.250 -1.847 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.545 -1.771 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.597 -0.262 -3.130 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.784 0.426 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.137 2.653 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.821 2.249 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.557 2.176 -0.681 1.00 0.00 H new ATOM 1055 N SER A 65 -5.795 -4.753 -1.636 1.00 0.00 N ATOM 1056 CA SER A 65 -5.629 -6.095 -1.011 1.00 0.00 C ATOM 1057 C SER A 65 -4.883 -7.020 -1.976 1.00 0.00 C ATOM 1058 O SER A 65 -4.028 -7.788 -1.583 1.00 0.00 O ATOM 1059 CB SER A 65 -7.005 -6.683 -0.695 1.00 0.00 C ATOM 1060 OG SER A 65 -7.713 -5.790 0.154 1.00 0.00 O ATOM 0 H SER A 65 -6.759 -4.444 -1.760 1.00 0.00 H new ATOM 0 HA SER A 65 -5.056 -5.999 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.564 -6.847 -1.617 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.896 -7.654 -0.211 1.00 0.00 H new ATOM 0 HG SER A 65 -8.058 -5.040 -0.375 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.192 -6.951 -3.240 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.495 -7.822 -4.223 1.00 0.00 C ATOM 1068 C GLU A 66 -3.019 -7.421 -4.303 1.00 0.00 C ATOM 1069 O GLU A 66 -2.150 -8.240 -4.527 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.142 -7.643 -5.595 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.586 -8.146 -5.549 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.599 -9.645 -5.248 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.567 -10.273 -5.421 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -7.641 -10.140 -4.850 1.00 0.00 O ATOM 0 H GLU A 66 -5.897 -6.329 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.572 -8.863 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.121 -6.592 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.578 -8.193 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.145 -7.607 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.080 -7.952 -6.501 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.738 -6.159 -4.134 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.328 -5.682 -4.212 1.00 0.00 C ATOM 1083 C HIS A 67 -0.471 -6.379 -3.155 1.00 0.00 C ATOM 1084 O HIS A 67 0.607 -6.863 -3.436 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.309 -4.174 -3.964 1.00 0.00 C ATOM 1086 CG HIS A 67 0.043 -3.619 -4.312 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.506 -3.571 -5.620 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.042 -3.074 -3.541 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.729 -3.015 -5.598 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.101 -2.695 -4.357 1.00 0.00 N ATOM 0 H HIS A 67 -3.429 -5.433 -3.944 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.922 -5.911 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.078 -3.688 -4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.541 -3.965 -2.920 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.008 -3.898 -6.448 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.009 -2.958 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.336 -2.848 -6.476 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.938 -6.426 -1.940 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.153 -7.081 -0.856 1.00 0.00 C ATOM 1101 C LEU A 68 -0.068 -8.593 -1.090 1.00 0.00 C ATOM 1102 O LEU A 68 0.890 -9.229 -0.706 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.820 -6.801 0.491 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.438 -5.396 0.966 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.749 -4.381 -0.135 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.241 -5.044 2.219 1.00 0.00 C ATOM 0 H LEU A 68 -1.835 -6.037 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 68 0.859 -6.675 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.903 -6.883 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.507 -7.543 1.226 1.00 0.00 H new ATOM 0 HG LEU A 68 0.627 -5.370 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.477 -3.381 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.178 -4.629 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.814 -4.409 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.969 -4.044 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.306 -5.072 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.021 -5.765 3.006 1.00 0.00 H new ATOM 1118 N THR A 69 -1.058 -9.178 -1.700 1.00 0.00 N ATOM 1119 CA THR A 69 -1.012 -10.651 -1.932 1.00 0.00 C ATOM 1120 C THR A 69 0.197 -11.018 -2.801 1.00 0.00 C ATOM 1121 O THR A 69 0.838 -12.026 -2.590 1.00 0.00 O ATOM 1122 CB THR A 69 -2.296 -11.102 -2.631 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.422 -10.630 -1.903 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.333 -12.630 -2.694 1.00 0.00 C ATOM 0 H THR A 69 -1.893 -8.706 -2.047 1.00 0.00 H new ATOM 0 HA THR A 69 -0.921 -11.154 -0.969 1.00 0.00 H new ATOM 0 HB THR A 69 -2.321 -10.696 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.527 -9.667 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.248 -12.952 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.470 -12.992 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.308 -13.037 -1.683 1.00 0.00 H new ATOM 1132 N ASN A 70 0.509 -10.215 -3.783 1.00 0.00 N ATOM 1133 CA ASN A 70 1.671 -10.532 -4.666 1.00 0.00 C ATOM 1134 C ASN A 70 2.231 -9.237 -5.274 1.00 0.00 C ATOM 1135 O ASN A 70 2.136 -9.020 -6.466 1.00 0.00 O ATOM 1136 CB ASN A 70 1.207 -11.455 -5.795 1.00 0.00 C ATOM 1137 CG ASN A 70 0.032 -10.809 -6.533 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -0.478 -9.789 -6.113 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -0.421 -11.362 -7.624 1.00 0.00 N ATOM 0 H ASN A 70 0.011 -9.355 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 70 2.448 -11.022 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.028 -11.640 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.908 -12.421 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.203 -10.938 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.006 -12.218 -7.977 1.00 0.00 H new ATOM 1146 N PRO A 71 2.798 -8.381 -4.464 1.00 0.00 N ATOM 1147 CA PRO A 71 3.368 -7.083 -4.936 1.00 0.00 C ATOM 1148 C PRO A 71 4.539 -7.260 -5.910 1.00 0.00 C ATOM 1149 O PRO A 71 4.860 -6.372 -6.674 1.00 0.00 O ATOM 1150 CB PRO A 71 3.842 -6.386 -3.657 1.00 0.00 C ATOM 1151 CG PRO A 71 3.944 -7.454 -2.620 1.00 0.00 C ATOM 1152 CD PRO A 71 2.959 -8.551 -3.013 1.00 0.00 C ATOM 0 HA PRO A 71 2.623 -6.513 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.805 -5.899 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.139 -5.611 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.959 -7.847 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.706 -7.057 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.345 -9.540 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.009 -8.440 -2.490 1.00 0.00 H new ATOM 1160 N ALA A 72 5.187 -8.394 -5.887 1.00 0.00 N ATOM 1161 CA ALA A 72 6.340 -8.607 -6.810 1.00 0.00 C ATOM 1162 C ALA A 72 5.860 -8.520 -8.263 1.00 0.00 C ATOM 1163 O ALA A 72 6.141 -7.567 -8.963 1.00 0.00 O ATOM 1164 CB ALA A 72 6.946 -9.988 -6.556 1.00 0.00 C ATOM 0 H ALA A 72 4.970 -9.179 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 72 7.093 -7.839 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.788 -10.145 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.290 -10.050 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.192 -10.755 -6.734 1.00 0.00 H new ATOM 1170 N LYS A 73 5.139 -9.506 -8.718 1.00 0.00 N ATOM 1171 CA LYS A 73 4.637 -9.480 -10.122 1.00 0.00 C ATOM 1172 C LYS A 73 3.755 -8.248 -10.326 1.00 0.00 C ATOM 1173 O LYS A 73 3.573 -7.775 -11.429 1.00 0.00 O ATOM 1174 CB LYS A 73 3.821 -10.747 -10.394 1.00 0.00 C ATOM 1175 CG LYS A 73 4.731 -11.972 -10.297 1.00 0.00 C ATOM 1176 CD LYS A 73 3.944 -13.226 -10.681 1.00 0.00 C ATOM 1177 CE LYS A 73 4.819 -14.463 -10.469 1.00 0.00 C ATOM 1178 NZ LYS A 73 4.408 -15.154 -9.215 1.00 0.00 N ATOM 0 H LYS A 73 4.875 -10.330 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 73 5.481 -9.437 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.006 -10.829 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.368 -10.695 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.590 -11.853 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.119 -12.070 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.039 -13.300 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.628 -13.165 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.722 -15.140 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.868 -14.174 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.003 -15.995 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.522 -14.507 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.412 -15.443 -9.289 1.00 0.00 H new ATOM 1192 N TYR A 74 3.191 -7.739 -9.267 1.00 0.00 N ATOM 1193 CA TYR A 74 2.304 -6.547 -9.380 1.00 0.00 C ATOM 1194 C TYR A 74 3.055 -5.399 -10.075 1.00 0.00 C ATOM 1195 O TYR A 74 2.534 -4.761 -10.967 1.00 0.00 O ATOM 1196 CB TYR A 74 1.899 -6.113 -7.971 1.00 0.00 C ATOM 1197 CG TYR A 74 0.726 -5.165 -8.024 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.919 -3.826 -8.375 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.554 -5.624 -7.695 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.165 -2.944 -8.395 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.642 -4.743 -7.720 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.445 -3.402 -8.069 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.511 -2.530 -8.081 1.00 0.00 O ATOM 0 H TYR A 74 3.307 -8.100 -8.320 1.00 0.00 H new ATOM 0 HA TYR A 74 1.421 -6.796 -9.968 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.640 -6.988 -7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.742 -5.630 -7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.907 -3.472 -8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.703 -6.658 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.014 -1.909 -8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.631 -5.098 -7.470 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.349 -1.807 -7.440 1.00 0.00 H new ATOM 1213 N ILE A 75 4.273 -5.134 -9.675 1.00 0.00 N ATOM 1214 CA ILE A 75 5.048 -4.026 -10.318 1.00 0.00 C ATOM 1215 C ILE A 75 6.520 -4.426 -10.447 1.00 0.00 C ATOM 1216 O ILE A 75 7.355 -4.006 -9.672 1.00 0.00 O ATOM 1217 CB ILE A 75 4.955 -2.763 -9.464 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.906 -3.158 -7.988 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.696 -1.967 -9.828 1.00 0.00 C ATOM 1220 CD1 ILE A 75 4.987 -1.901 -7.124 1.00 0.00 C ATOM 0 H ILE A 75 4.764 -5.634 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 75 4.629 -3.835 -11.306 1.00 0.00 H new ATOM 0 HB ILE A 75 5.829 -2.139 -9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.984 -3.700 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.732 -3.829 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.642 -1.069 -9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.736 -1.683 -10.880 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.813 -2.582 -9.652 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.952 -2.180 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.921 -1.378 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.146 -1.247 -7.354 1.00 0.00 H new ATOM 1232 N PRO A 76 6.828 -5.224 -11.423 1.00 0.00 N ATOM 1233 CA PRO A 76 8.218 -5.694 -11.680 1.00 0.00 C ATOM 1234 C PRO A 76 9.124 -4.560 -12.175 1.00 0.00 C ATOM 1235 O PRO A 76 8.737 -3.767 -13.010 1.00 0.00 O ATOM 1236 CB PRO A 76 8.064 -6.766 -12.770 1.00 0.00 C ATOM 1237 CG PRO A 76 6.594 -7.013 -12.917 1.00 0.00 C ATOM 1238 CD PRO A 76 5.883 -5.768 -12.395 1.00 0.00 C ATOM 0 HA PRO A 76 8.686 -6.072 -10.771 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.497 -6.427 -13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.585 -7.681 -12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.335 -7.197 -13.960 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.292 -7.896 -12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.676 -5.058 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.927 -6.015 -11.932 1.00 0.00 H new ATOM 1246 N GLY A 77 10.329 -4.485 -11.681 1.00 0.00 N ATOM 1247 CA GLY A 77 11.256 -3.414 -12.139 1.00 0.00 C ATOM 1248 C GLY A 77 11.195 -2.209 -11.193 1.00 0.00 C ATOM 1249 O GLY A 77 11.844 -1.207 -11.419 1.00 0.00 O ATOM 0 H GLY A 77 10.711 -5.120 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.275 -3.800 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.991 -3.104 -13.150 1.00 0.00 H new ATOM 1253 N THR A 78 10.430 -2.291 -10.138 1.00 0.00 N ATOM 1254 CA THR A 78 10.347 -1.136 -9.195 1.00 0.00 C ATOM 1255 C THR A 78 11.271 -1.381 -7.996 1.00 0.00 C ATOM 1256 O THR A 78 11.816 -2.454 -7.828 1.00 0.00 O ATOM 1257 CB THR A 78 8.900 -0.957 -8.723 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.771 0.303 -8.081 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.522 -2.068 -7.743 1.00 0.00 C ATOM 0 H THR A 78 9.862 -3.101 -9.888 1.00 0.00 H new ATOM 0 HA THR A 78 10.665 -0.227 -9.705 1.00 0.00 H new ATOM 0 HB THR A 78 8.235 -1.005 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.948 0.316 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.492 -1.929 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.619 -3.036 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.185 -2.032 -6.879 1.00 0.00 H new ATOM 1267 N LYS A 79 11.465 -0.386 -7.172 1.00 0.00 N ATOM 1268 CA LYS A 79 12.370 -0.548 -5.996 1.00 0.00 C ATOM 1269 C LYS A 79 11.581 -1.026 -4.769 1.00 0.00 C ATOM 1270 O LYS A 79 12.069 -0.979 -3.657 1.00 0.00 O ATOM 1271 CB LYS A 79 13.032 0.797 -5.684 1.00 0.00 C ATOM 1272 CG LYS A 79 13.878 1.240 -6.879 1.00 0.00 C ATOM 1273 CD LYS A 79 14.648 2.513 -6.519 1.00 0.00 C ATOM 1274 CE LYS A 79 13.669 3.680 -6.363 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.408 4.967 -6.476 1.00 0.00 N ATOM 0 H LYS A 79 11.035 0.534 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 79 13.129 -1.293 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.271 1.547 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.657 0.709 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.574 0.449 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.239 1.422 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.203 2.365 -5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.379 2.740 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.895 3.624 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.167 3.620 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.743 5.760 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.131 5.019 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.868 5.023 -7.407 1.00 0.00 H new ATOM 1289 N MET A 80 10.371 -1.482 -4.953 1.00 0.00 N ATOM 1290 CA MET A 80 9.573 -1.955 -3.782 1.00 0.00 C ATOM 1291 C MET A 80 10.103 -3.316 -3.323 1.00 0.00 C ATOM 1292 O MET A 80 10.153 -4.262 -4.085 1.00 0.00 O ATOM 1293 CB MET A 80 8.098 -2.085 -4.181 1.00 0.00 C ATOM 1294 CG MET A 80 7.243 -2.371 -2.942 1.00 0.00 C ATOM 1295 SD MET A 80 5.718 -1.397 -3.028 1.00 0.00 S ATOM 1296 CE MET A 80 4.553 -2.734 -2.673 1.00 0.00 C ATOM 0 H MET A 80 9.902 -1.548 -5.856 1.00 0.00 H new ATOM 0 HA MET A 80 9.662 -1.236 -2.968 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.761 -1.167 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.979 -2.888 -4.908 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.007 -3.434 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.798 -2.120 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.603 -2.311 -2.347 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.396 -3.329 -3.573 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.957 -3.369 -1.885 1.00 0.00 H new ATOM 1306 N ALA A 81 10.507 -3.417 -2.084 1.00 0.00 N ATOM 1307 CA ALA A 81 11.046 -4.712 -1.569 1.00 0.00 C ATOM 1308 C ALA A 81 10.096 -5.295 -0.522 1.00 0.00 C ATOM 1309 O ALA A 81 10.510 -5.975 0.395 1.00 0.00 O ATOM 1310 CB ALA A 81 12.410 -4.467 -0.926 1.00 0.00 C ATOM 0 H ALA A 81 10.487 -2.657 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 81 11.143 -5.415 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.809 -5.409 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.094 -4.056 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.302 -3.762 -0.102 1.00 0.00 H new ATOM 1316 N PHE A 82 8.825 -5.036 -0.646 1.00 0.00 N ATOM 1317 CA PHE A 82 7.855 -5.577 0.348 1.00 0.00 C ATOM 1318 C PHE A 82 7.367 -6.951 -0.114 1.00 0.00 C ATOM 1319 O PHE A 82 6.969 -7.129 -1.249 1.00 0.00 O ATOM 1320 CB PHE A 82 6.657 -4.633 0.460 1.00 0.00 C ATOM 1321 CG PHE A 82 5.750 -5.087 1.578 1.00 0.00 C ATOM 1322 CD1 PHE A 82 6.007 -4.695 2.895 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.643 -5.896 1.295 1.00 0.00 C ATOM 1324 CE1 PHE A 82 5.159 -5.113 3.930 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.797 -6.315 2.327 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.054 -5.922 3.645 1.00 0.00 C ATOM 0 H PHE A 82 8.415 -4.474 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 82 8.344 -5.666 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.000 -3.616 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.108 -4.615 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.860 -4.070 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.442 -6.197 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.359 -4.810 4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.946 -6.942 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.400 -6.243 4.442 1.00 0.00 H new ATOM 1336 N GLY A 83 7.389 -7.923 0.755 1.00 0.00 N ATOM 1337 CA GLY A 83 6.920 -9.280 0.362 1.00 0.00 C ATOM 1338 C GLY A 83 5.405 -9.363 0.549 1.00 0.00 C ATOM 1339 O GLY A 83 4.781 -8.435 1.024 1.00 0.00 O ATOM 0 H GLY A 83 7.711 -7.836 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.182 -9.481 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.415 -10.039 0.968 1.00 0.00 H new ATOM 1343 N GLY A 84 4.807 -10.462 0.184 1.00 0.00 N ATOM 1344 CA GLY A 84 3.331 -10.587 0.350 1.00 0.00 C ATOM 1345 C GLY A 84 3.022 -11.229 1.704 1.00 0.00 C ATOM 1346 O GLY A 84 3.857 -11.883 2.295 1.00 0.00 O ATOM 0 H GLY A 84 5.272 -11.275 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.863 -9.605 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.914 -11.192 -0.455 1.00 0.00 H new ATOM 1350 N LEU A 85 1.826 -11.050 2.200 1.00 0.00 N ATOM 1351 CA LEU A 85 1.471 -11.656 3.514 1.00 0.00 C ATOM 1352 C LEU A 85 0.649 -12.924 3.280 1.00 0.00 C ATOM 1353 O LEU A 85 -0.386 -12.898 2.645 1.00 0.00 O ATOM 1354 CB LEU A 85 0.647 -10.657 4.331 1.00 0.00 C ATOM 1355 CG LEU A 85 1.418 -9.343 4.464 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.641 -8.384 5.366 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.792 -9.617 5.080 1.00 0.00 C ATOM 0 H LEU A 85 1.083 -10.512 1.753 1.00 0.00 H new ATOM 0 HA LEU A 85 2.381 -11.906 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.313 -10.480 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.434 -11.067 5.318 1.00 0.00 H new ATOM 0 HG LEU A 85 1.543 -8.896 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.191 -7.448 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.338 -8.187 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.516 -8.832 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.342 -8.680 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.666 -10.065 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.348 -10.301 4.439 1.00 0.00 H new ATOM 1369 N LYS A 86 1.104 -14.035 3.790 1.00 0.00 N ATOM 1370 CA LYS A 86 0.351 -15.308 3.600 1.00 0.00 C ATOM 1371 C LYS A 86 -1.008 -15.224 4.299 1.00 0.00 C ATOM 1372 O LYS A 86 -1.990 -15.762 3.828 1.00 0.00 O ATOM 1373 CB LYS A 86 1.156 -16.468 4.187 1.00 0.00 C ATOM 1374 CG LYS A 86 2.482 -16.602 3.438 1.00 0.00 C ATOM 1375 CD LYS A 86 3.182 -17.895 3.864 1.00 0.00 C ATOM 1376 CE LYS A 86 3.544 -17.817 5.348 1.00 0.00 C ATOM 1377 NZ LYS A 86 4.869 -18.462 5.570 1.00 0.00 N ATOM 0 H LYS A 86 1.965 -14.117 4.331 1.00 0.00 H new ATOM 0 HA LYS A 86 0.193 -15.473 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.341 -16.296 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.587 -17.395 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.305 -16.609 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.120 -15.744 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.531 -18.750 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.081 -18.047 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.575 -16.777 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.781 -18.314 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.116 -18.409 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.824 -19.459 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.593 -17.969 5.010 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.074 -14.563 5.425 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.373 -14.466 6.148 1.00 0.00 C ATOM 1393 C LYS A 87 -3.147 -13.234 5.683 1.00 0.00 C ATOM 1394 O LYS A 87 -2.638 -12.130 5.670 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.120 -14.366 7.652 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.486 -15.664 8.150 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.397 -15.628 9.676 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.654 -16.869 10.174 1.00 0.00 C ATOM 1399 NZ LYS A 87 -0.681 -16.898 11.665 1.00 0.00 N ATOM 0 H LYS A 87 -0.289 -14.089 5.872 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.960 -15.359 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.463 -13.523 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.057 -14.181 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.080 -16.519 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.492 -15.786 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.877 -14.726 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.397 -15.592 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.119 -17.770 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.376 -16.857 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.176 -17.741 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.219 -16.044 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.667 -16.929 11.994 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.381 -13.421 5.310 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.213 -12.275 4.847 1.00 0.00 C ATOM 1415 C GLU A 88 -5.646 -11.426 6.048 1.00 0.00 C ATOM 1416 O GLU A 88 -5.884 -10.240 5.926 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.455 -12.807 4.128 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.031 -13.547 2.858 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.274 -14.021 2.104 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.356 -13.914 2.658 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.125 -14.484 0.986 1.00 0.00 O ATOM 0 H GLU A 88 -4.853 -14.325 5.306 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.627 -11.659 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.009 -13.478 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.123 -11.984 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.436 -12.890 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.401 -14.399 3.114 1.00 0.00 H new ATOM 1428 N LYS A 89 -5.772 -12.028 7.201 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.215 -11.256 8.397 1.00 0.00 C ATOM 1430 C LYS A 89 -5.291 -10.058 8.624 1.00 0.00 C ATOM 1431 O LYS A 89 -5.744 -8.949 8.830 1.00 0.00 O ATOM 1432 CB LYS A 89 -6.177 -12.164 9.628 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.194 -13.295 9.462 1.00 0.00 C ATOM 1434 CD LYS A 89 -7.239 -14.133 10.741 1.00 0.00 C ATOM 1435 CE LYS A 89 -8.174 -15.328 10.540 1.00 0.00 C ATOM 1436 NZ LYS A 89 -7.641 -16.505 11.281 1.00 0.00 N ATOM 0 H LYS A 89 -5.588 -13.018 7.365 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.231 -10.896 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.177 -12.577 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.402 -11.587 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.181 -12.883 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.921 -13.922 8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.238 -14.481 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.586 -13.523 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.175 -15.084 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.260 -15.561 9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.276 -17.317 11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.694 -16.742 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.580 -16.279 12.294 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.003 -10.258 8.583 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.074 -9.116 8.791 1.00 0.00 C ATOM 1452 C ASP A 90 -3.258 -8.114 7.651 1.00 0.00 C ATOM 1453 O ASP A 90 -3.222 -6.916 7.845 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.632 -9.621 8.799 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.423 -10.556 9.992 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.261 -10.547 10.880 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.430 -11.265 9.997 1.00 0.00 O ATOM 0 H ASP A 90 -3.556 -11.159 8.415 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.289 -8.635 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.415 -10.147 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.942 -8.780 8.858 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.446 -8.607 6.458 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.627 -7.701 5.291 1.00 0.00 C ATOM 1464 C ARG A 91 -4.865 -6.821 5.484 1.00 0.00 C ATOM 1465 O ARG A 91 -4.842 -5.638 5.208 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.799 -8.545 4.028 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.896 -7.625 2.812 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.037 -8.470 1.547 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.371 -9.131 1.537 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.552 -10.223 0.847 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.566 -10.737 0.165 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -6.723 -10.803 0.838 1.00 0.00 N ATOM 0 H ARG A 91 -3.482 -9.603 6.241 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.751 -7.059 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.956 -9.227 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.697 -9.158 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.752 -6.958 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.008 -6.997 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.924 -7.842 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.247 -9.220 1.508 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.143 -8.730 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.652 -10.285 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.709 -11.591 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.495 -10.402 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.865 -11.657 0.299 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.951 -7.384 5.945 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.180 -6.564 6.137 1.00 0.00 C ATOM 1488 C ASN A 92 -6.886 -5.418 7.101 1.00 0.00 C ATOM 1489 O ASN A 92 -7.224 -4.278 6.848 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.293 -7.438 6.717 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.603 -6.646 6.746 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -10.031 -6.196 7.789 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -10.261 -6.458 5.634 1.00 0.00 N ATOM 0 H ASN A 92 -6.039 -8.369 6.195 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.496 -6.160 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.414 -8.339 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.029 -7.761 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.135 -5.933 5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.901 -6.836 4.758 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.254 -5.708 8.204 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.934 -4.635 9.178 1.00 0.00 C ATOM 1502 C ASP A 93 -4.914 -3.677 8.565 1.00 0.00 C ATOM 1503 O ASP A 93 -4.983 -2.477 8.752 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.348 -5.265 10.443 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.420 -6.107 11.138 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.576 -5.974 10.776 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -6.063 -6.872 12.020 1.00 0.00 O ATOM 0 H ASP A 93 -5.946 -6.643 8.471 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.840 -4.084 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.490 -5.887 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.988 -4.487 11.116 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.957 -4.196 7.844 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.924 -3.314 7.235 1.00 0.00 C ATOM 1514 C LEU A 94 -3.597 -2.279 6.331 1.00 0.00 C ATOM 1515 O LEU A 94 -3.294 -1.104 6.389 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.956 -4.165 6.413 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.730 -3.328 6.032 1.00 0.00 C ATOM 1518 CD1 LEU A 94 0.390 -4.249 5.547 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -1.086 -2.331 4.921 1.00 0.00 C ATOM 0 H LEU A 94 -3.847 -5.192 7.651 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.376 -2.796 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.648 -5.039 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.452 -4.532 5.514 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.398 -2.775 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.261 -3.652 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.659 -4.944 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.049 -4.809 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.204 -1.745 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.431 -2.874 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.875 -1.665 5.269 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.521 -2.696 5.507 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.212 -1.715 4.625 1.00 0.00 C ATOM 1533 C ILE A 95 -6.012 -0.758 5.505 1.00 0.00 C ATOM 1534 O ILE A 95 -6.115 0.422 5.233 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.156 -2.447 3.671 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.358 -3.442 2.823 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.842 -1.434 2.752 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.317 -4.251 1.948 1.00 0.00 C ATOM 0 H ILE A 95 -4.824 -3.665 5.408 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.479 -1.163 4.036 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.909 -2.983 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.640 -2.910 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.787 -4.109 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.515 -1.957 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.412 -0.725 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.089 -0.897 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.749 -4.959 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.017 -4.794 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.869 -3.577 1.293 1.00 0.00 H new ATOM 1550 N THR A 96 -6.578 -1.267 6.564 1.00 0.00 N ATOM 1551 CA THR A 96 -7.376 -0.409 7.481 1.00 0.00 C ATOM 1552 C THR A 96 -6.506 0.744 7.993 1.00 0.00 C ATOM 1553 O THR A 96 -6.950 1.870 8.087 1.00 0.00 O ATOM 1554 CB THR A 96 -7.856 -1.252 8.666 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.500 -2.421 8.179 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.839 -0.442 9.508 1.00 0.00 C ATOM 0 H THR A 96 -6.521 -2.249 6.835 1.00 0.00 H new ATOM 0 HA THR A 96 -8.235 -0.002 6.947 1.00 0.00 H new ATOM 0 HB THR A 96 -7.002 -1.533 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.826 -3.054 7.853 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.179 -1.044 10.350 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.346 0.456 9.880 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.695 -0.159 8.896 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.270 0.474 8.324 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.387 1.565 8.826 1.00 0.00 C ATOM 1566 C TYR A 97 -4.217 2.621 7.732 1.00 0.00 C ATOM 1567 O TYR A 97 -4.455 3.794 7.946 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.020 0.987 9.201 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.170 2.066 9.826 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.309 2.365 11.187 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.243 2.767 9.047 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.519 3.364 11.769 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.453 3.768 9.628 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.593 4.066 10.989 1.00 0.00 C ATOM 1575 OH TYR A 97 0.185 5.053 11.563 1.00 0.00 O ATOM 0 H TYR A 97 -4.837 -0.448 8.269 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.837 2.023 9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.143 0.157 9.897 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.526 0.589 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.026 1.825 11.788 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.136 2.536 7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.624 3.593 12.819 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.263 4.309 9.027 1.00 0.00 H new ATOM 0 HH TYR A 97 0.776 5.440 10.884 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.829 2.214 6.554 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.675 3.198 5.447 1.00 0.00 C ATOM 1587 C LEU A 98 -5.052 3.753 5.098 1.00 0.00 C ATOM 1588 O LEU A 98 -5.199 4.897 4.716 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.069 2.511 4.221 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.640 2.062 4.534 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.052 1.353 3.313 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.785 3.287 4.863 1.00 0.00 C ATOM 0 H LEU A 98 -3.613 1.247 6.312 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.013 4.007 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.676 1.652 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.068 3.195 3.372 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.650 1.381 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.034 1.032 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.662 0.483 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.041 2.038 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.234 2.970 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.775 3.964 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.203 3.801 5.729 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.064 2.943 5.231 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.440 3.407 4.917 1.00 0.00 C ATOM 1606 C LYS A 99 -7.750 4.653 5.749 1.00 0.00 C ATOM 1607 O LYS A 99 -8.301 5.619 5.261 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.432 2.300 5.279 1.00 0.00 C ATOM 1609 CG LYS A 99 -9.841 2.700 4.846 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.842 1.656 5.348 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.260 2.067 4.946 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.195 3.142 3.915 1.00 0.00 N ATOM 0 H LYS A 99 -5.995 1.975 5.545 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.520 3.644 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.144 1.368 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.411 2.118 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.091 3.682 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.892 2.776 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.604 0.678 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.773 1.564 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.802 1.206 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.809 2.419 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.159 3.444 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.664 3.953 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.717 2.780 3.065 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.393 4.635 7.004 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.657 5.813 7.877 1.00 0.00 C ATOM 1628 C LYS A 100 -6.917 7.032 7.328 1.00 0.00 C ATOM 1629 O LYS A 100 -7.424 8.136 7.331 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.152 5.511 9.286 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.509 6.667 10.219 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.896 6.404 11.593 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.422 7.432 12.596 1.00 0.00 C ATOM 1634 NZ LYS A 100 -6.400 7.660 13.657 1.00 0.00 N ATOM 0 H LYS A 100 -6.928 3.852 7.464 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.727 6.019 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.596 4.585 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.072 5.362 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.135 7.607 9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.592 6.764 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.144 5.396 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.809 6.462 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.649 8.369 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.352 7.078 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.758 8.359 14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.205 6.765 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.524 8.016 13.224 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.718 6.835 6.863 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.927 7.976 6.318 1.00 0.00 C ATOM 1650 C ALA A 101 -5.688 8.625 5.158 1.00 0.00 C ATOM 1651 O ALA A 101 -5.519 9.794 4.873 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.576 7.464 5.816 1.00 0.00 C ATOM 0 H ALA A 101 -5.247 5.930 6.836 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.770 8.714 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.997 8.297 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.031 7.005 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.736 6.725 5.031 1.00 0.00 H new ATOM 1658 N THR A 102 -6.522 7.880 4.485 1.00 0.00 N ATOM 1659 CA THR A 102 -7.285 8.463 3.346 1.00 0.00 C ATOM 1660 C THR A 102 -8.006 9.733 3.808 1.00 0.00 C ATOM 1661 O THR A 102 -8.075 10.713 3.093 1.00 0.00 O ATOM 1662 CB THR A 102 -8.305 7.441 2.832 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.586 7.704 1.464 1.00 0.00 O ATOM 1664 CG2 THR A 102 -9.600 7.534 3.644 1.00 0.00 C ATOM 0 H THR A 102 -6.707 6.895 4.674 1.00 0.00 H new ATOM 0 HA THR A 102 -6.596 8.716 2.540 1.00 0.00 H new ATOM 0 HB THR A 102 -7.890 6.439 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.348 7.159 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.317 6.803 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.387 7.329 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.019 8.536 3.548 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.545 9.724 4.996 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.260 10.931 5.499 1.00 0.00 C ATOM 1674 C GLU A 103 -8.374 12.164 5.314 1.00 0.00 C ATOM 1675 O GLU A 103 -8.849 13.281 5.268 1.00 0.00 O ATOM 1676 CB GLU A 103 -9.581 10.752 6.984 1.00 0.00 C ATOM 1677 CG GLU A 103 -10.439 11.923 7.467 1.00 0.00 C ATOM 1678 CD GLU A 103 -10.675 11.797 8.973 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -10.159 10.858 9.556 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -11.368 12.640 9.517 1.00 0.00 O ATOM 0 H GLU A 103 -8.521 8.933 5.640 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.186 11.063 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.109 9.812 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.659 10.701 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.943 12.867 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.392 11.931 6.938 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.566 0.676 -1.768 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.993 2.364 -4.640 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.239 0.199 -1.388 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.128 -0.959 1.130 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.896 1.110 -2.181 1.00 0.00 C HETATM 1693 NA HEC A 201 3.970 1.178 -2.784 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.901 1.882 -3.966 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.541 2.022 -4.422 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.761 1.486 -3.457 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.654 0.908 -2.484 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.293 1.688 -3.291 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.107 2.367 -5.806 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.417 3.823 -6.166 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.108 4.602 -6.320 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.046 5.719 -5.837 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.190 4.067 -6.921 1.00 0.00 O HETATM 1704 NB HEC A 201 4.435 -0.205 -0.433 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.066 -0.327 -0.429 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.596 -1.067 0.718 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.696 -1.281 1.502 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.824 -0.819 0.732 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.295 -1.794 0.776 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.737 -1.538 2.983 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.425 -2.025 3.598 1.00 0.00 C HETATM 1712 NC HEC A 201 7.164 0.178 -0.749 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.225 -0.507 0.442 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.589 -0.718 0.866 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.369 -0.051 -0.014 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.484 0.440 -1.053 1.00 0.00 C HETATM 1717 CMC HEC A 201 9.059 -1.755 1.828 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.795 0.339 0.211 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.773 -0.817 -0.011 1.00 0.00 C HETATM 1720 ND HEC A 201 6.691 1.550 -3.106 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.064 1.625 -3.142 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.525 2.299 -4.330 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.420 2.740 -4.967 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.295 2.215 -4.244 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.884 2.188 -4.924 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.376 3.771 -6.039 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.290 3.152 -7.434 1.00 0.00 C HETATM 1728 CGD HEC A 201 7.440 4.247 -8.488 1.00 0.00 C HETATM 1729 O1D HEC A 201 8.491 4.864 -8.526 1.00 0.00 O HETATM 1730 O2D HEC A 201 6.501 4.449 -9.240 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.626 2.523 -4.200 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.081 1.150 -5.191 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.942 2.809 -5.818 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.570 -1.606 2.791 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.812 -2.745 1.445 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.139 -1.673 1.953 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.478 -1.090 0.620 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.270 -2.557 -0.002 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.186 -2.267 1.752 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.086 2.748 -3.146 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.226 1.336 -4.182 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.055 1.128 -2.423 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.071 2.402 -7.559 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 6.335 2.641 -7.558 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.539 -1.629 0.678 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.686 -1.175 -1.037 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.791 -0.471 0.167 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.648 -1.278 3.435 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.130 -2.964 3.129 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.560 -2.180 4.668 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.033 4.277 -5.390 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.989 3.866 -7.093 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.517 4.422 -5.879 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.266 4.397 -5.975 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.604 1.706 -6.516 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.036 2.191 -5.903 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.969 1.242 -2.323 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.309 -1.473 2.074 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.167 0.040 -1.269 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.810 2.910 -5.566 1.00 0.00 H new