USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=28 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 -2 LYS NZ :NH3+ -153:sc= -0.152 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -166:sc= -0.0769 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.971 K(o=-3.5,f=-5.1) USER MOD Set 2.2: A 74 TYR OH : rot -54:sc= -4.47! USER MOD Set 3.1: A 67 HIS : no HE2:sc= -1.08! C(o=-2!,f=-20!) USER MOD Set 3.2: A 80 MET CE :methyl 163:sc= -0.94 (180deg=-0.0199) USER MOD Set 4.1: A 49 THR OG1 : rot -136:sc= 0.124 USER MOD Set 4.2: A 78 THR OG1 : rot -110:sc= -0.636 USER MOD Set 5.1: A 40 SER OG : rot -65:sc= -0.969! USER MOD Set 5.2: A 52 ASN : amide:sc= -1.94! C(o=-6.7!,f=-13!) USER MOD Set 5.3: A 56 ASN : amide:sc= -3.84! K(o=-6.7!,f=-3.4) USER MOD Set 6.1: A 19 THR OG1 : rot -170:sc= -4.05! USER MOD Set 6.2: A 31 ASN : amide:sc= -9.47! C(o=-14!,f=-8.7!) USER MOD Set 7.1: A -5 THR OG1 : rot 147:sc= 0.549 USER MOD Set 7.2: A 62 ASN : amide:sc= -1.12 K(o=-0.57,f=-9.3!) USER MOD Single : A 2 SER OG : rot 92:sc= -0.558 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0472 (180deg=-0.39) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A -5 THR N :NH3+ -176:sc= -1.07 (180deg=-1.12) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -27:sc= 0.836 USER MOD Single : A 16 GLN : amide:sc=-0.00028 K(o=-0.00028,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-2.6!) USER MOD Single : A 39 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-2.1!) USER MOD Single : A 42 GLN : amide:sc= -4.73! K(o=-4.7!,f=-1.5) USER MOD Single : A 46 TYR OH : rot 75:sc= 0.195 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -130:sc= -3.18! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0713 (180deg=-0.486) USER MOD Single : A 64 MET CE :methyl -169:sc= -2.17 (180deg=-2.47) USER MOD Single : A 65 SER OG : rot 75:sc= -1.31 USER MOD Single : A 69 THR OG1 : rot 58:sc= -1.32 USER MOD Single : A 70 ASN : amide:sc= 0.0171 K(o=0.017,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.0973 (180deg=-0.848) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= -6.97! (180deg=-6.98!) 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 92 ASN : amide:sc= -0.0497 K(o=-0.05,f=-2.2) USER MOD Single : A 96 THR OG1 : rot 79:sc= 0.735 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -130:sc= -0.0736 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -12.418 -11.023 -1.179 1.00 0.00 N ATOM 2 CA THR A -5 -11.874 -9.657 -0.937 1.00 0.00 C ATOM 3 C THR A -5 -12.803 -8.899 0.013 1.00 0.00 C ATOM 4 O THR A -5 -12.779 -7.685 0.083 1.00 0.00 O ATOM 5 CB THR A -5 -11.775 -8.903 -2.266 1.00 0.00 C ATOM 6 OG1 THR A -5 -13.013 -8.260 -2.536 1.00 0.00 O ATOM 7 CG2 THR A -5 -11.455 -9.889 -3.389 1.00 0.00 C ATOM 0 H1 THR A -5 -11.753 -11.562 -1.770 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.547 -11.511 -0.270 1.00 0.00 H new ATOM 0 H3 THR A -5 -13.334 -10.951 -1.666 1.00 0.00 H new ATOM 0 HA THR A -5 -10.883 -9.735 -0.490 1.00 0.00 H new ATOM 0 HB THR A -5 -10.983 -8.156 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A -5 -12.848 -7.419 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A -5 -11.385 -9.352 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A -5 -10.506 -10.383 -3.180 1.00 0.00 H new ATOM 0 HG23 THR A -5 -12.246 -10.636 -3.454 1.00 0.00 H new ATOM 17 N GLU A -4 -13.623 -9.604 0.744 1.00 0.00 N ATOM 18 CA GLU A -4 -14.553 -8.923 1.689 1.00 0.00 C ATOM 19 C GLU A -4 -13.747 -8.074 2.673 1.00 0.00 C ATOM 20 O GLU A -4 -12.656 -8.433 3.067 1.00 0.00 O ATOM 21 CB GLU A -4 -15.357 -9.974 2.459 1.00 0.00 C ATOM 22 CG GLU A -4 -16.213 -10.783 1.481 1.00 0.00 C ATOM 23 CD GLU A -4 -17.222 -9.860 0.796 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.459 -8.783 1.317 1.00 0.00 O ATOM 25 OE2 GLU A -4 -17.740 -10.246 -0.239 1.00 0.00 O ATOM 0 H GLU A -4 -13.689 -10.622 0.728 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.235 -8.282 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -14.683 -10.636 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.993 -9.489 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.578 -11.261 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.735 -11.579 2.012 1.00 0.00 H new ATOM 32 N PHE A -3 -14.275 -6.950 3.073 1.00 0.00 N ATOM 33 CA PHE A -3 -13.537 -6.080 4.032 1.00 0.00 C ATOM 34 C PHE A -3 -14.040 -6.341 5.451 1.00 0.00 C ATOM 35 O PHE A -3 -15.225 -6.312 5.717 1.00 0.00 O ATOM 36 CB PHE A -3 -13.770 -4.611 3.672 1.00 0.00 C ATOM 37 CG PHE A -3 -12.953 -3.728 4.586 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.630 -3.408 4.254 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.519 -3.229 5.765 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.875 -2.589 5.103 1.00 0.00 C ATOM 41 CE2 PHE A -3 -12.763 -2.409 6.612 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.441 -2.091 6.282 1.00 0.00 C ATOM 0 H PHE A -3 -15.185 -6.596 2.778 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.472 -6.304 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.492 -4.432 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.828 -4.367 3.765 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.193 -3.792 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.539 -3.476 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.855 -2.342 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -13.201 -2.022 7.520 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.857 -1.461 6.937 1.00 0.00 H new ATOM 52 N LYS A -2 -13.145 -6.592 6.367 1.00 0.00 N ATOM 53 CA LYS A -2 -13.563 -6.851 7.771 1.00 0.00 C ATOM 54 C LYS A -2 -13.662 -5.522 8.520 1.00 0.00 C ATOM 55 O LYS A -2 -13.290 -4.485 8.006 1.00 0.00 O ATOM 56 CB LYS A -2 -12.522 -7.739 8.451 1.00 0.00 C ATOM 57 CG LYS A -2 -12.508 -9.114 7.781 1.00 0.00 C ATOM 58 CD LYS A -2 -11.377 -9.955 8.372 1.00 0.00 C ATOM 59 CE LYS A -2 -11.560 -10.055 9.886 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.876 -11.280 10.389 1.00 0.00 N ATOM 0 H LYS A -2 -12.139 -6.629 6.201 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.532 -7.350 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.536 -7.279 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.753 -7.842 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.465 -9.614 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -12.371 -9.005 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.378 -10.950 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -10.413 -9.503 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.149 -9.170 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.621 -10.090 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -11.343 -11.606 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -10.927 -12.027 9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -9.879 -11.063 10.592 1.00 0.00 H new ATOM 74 N ALA A -1 -14.164 -5.541 9.725 1.00 0.00 N ATOM 75 CA ALA A -1 -14.286 -4.277 10.506 1.00 0.00 C ATOM 76 C ALA A -1 -13.034 -3.427 10.289 1.00 0.00 C ATOM 77 O ALA A -1 -13.046 -2.224 10.469 1.00 0.00 O ATOM 78 CB ALA A -1 -14.427 -4.605 11.993 1.00 0.00 C ATOM 0 H ALA A -1 -14.495 -6.379 10.203 1.00 0.00 H new ATOM 0 HA ALA A -1 -15.166 -3.726 10.173 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.516 -3.680 12.563 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.317 -5.214 12.148 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -13.548 -5.155 12.329 1.00 0.00 H new ATOM 84 N GLY A 1 -11.953 -4.043 9.897 1.00 0.00 N ATOM 85 CA GLY A 1 -10.700 -3.275 9.658 1.00 0.00 C ATOM 86 C GLY A 1 -10.027 -2.951 10.992 1.00 0.00 C ATOM 87 O GLY A 1 -10.157 -1.862 11.514 1.00 0.00 O ATOM 0 H GLY A 1 -11.884 -5.047 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.023 -3.853 9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.925 -2.354 9.121 1.00 0.00 H new ATOM 91 N SER A 2 -9.301 -3.884 11.546 1.00 0.00 N ATOM 92 CA SER A 2 -8.615 -3.617 12.839 1.00 0.00 C ATOM 93 C SER A 2 -7.449 -2.661 12.588 1.00 0.00 C ATOM 94 O SER A 2 -7.067 -2.426 11.460 1.00 0.00 O ATOM 95 CB SER A 2 -8.089 -4.928 13.425 1.00 0.00 C ATOM 96 OG SER A 2 -6.927 -5.328 12.715 1.00 0.00 O ATOM 0 H SER A 2 -9.154 -4.816 11.159 1.00 0.00 H new ATOM 0 HA SER A 2 -9.316 -3.171 13.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.857 -4.799 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.854 -5.702 13.359 1.00 0.00 H new ATOM 0 HG SER A 2 -6.132 -4.964 13.157 1.00 0.00 H new ATOM 102 N ALA A 3 -6.889 -2.100 13.626 1.00 0.00 N ATOM 103 CA ALA A 3 -5.750 -1.155 13.441 1.00 0.00 C ATOM 104 C ALA A 3 -4.598 -1.547 14.364 1.00 0.00 C ATOM 105 O ALA A 3 -3.741 -0.747 14.677 1.00 0.00 O ATOM 106 CB ALA A 3 -6.207 0.267 13.774 1.00 0.00 C ATOM 0 H ALA A 3 -7.171 -2.255 14.594 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.413 -1.198 12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.375 0.958 13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.025 0.551 13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.547 0.307 14.809 1.00 0.00 H new ATOM 112 N LYS A 4 -4.571 -2.772 14.803 1.00 0.00 N ATOM 113 CA LYS A 4 -3.473 -3.211 15.705 1.00 0.00 C ATOM 114 C LYS A 4 -2.335 -3.814 14.878 1.00 0.00 C ATOM 115 O LYS A 4 -1.272 -3.240 14.756 1.00 0.00 O ATOM 116 CB LYS A 4 -4.005 -4.262 16.681 1.00 0.00 C ATOM 117 CG LYS A 4 -2.922 -4.604 17.705 1.00 0.00 C ATOM 118 CD LYS A 4 -3.483 -5.585 18.738 1.00 0.00 C ATOM 119 CE LYS A 4 -3.760 -6.932 18.069 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.796 -8.003 19.106 1.00 0.00 N ATOM 0 H LYS A 4 -5.261 -3.488 14.577 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.098 -2.352 16.261 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.894 -3.886 17.188 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.303 -5.159 16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.059 -5.042 17.204 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.576 -3.697 18.200 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.774 -5.713 19.556 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.401 -5.187 19.171 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.709 -6.896 17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.987 -7.150 17.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.984 -8.920 18.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.880 -8.042 19.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.549 -7.796 19.793 1.00 0.00 H new ATOM 134 N LYS A 5 -2.548 -4.975 14.320 1.00 0.00 N ATOM 135 CA LYS A 5 -1.475 -5.623 13.510 1.00 0.00 C ATOM 136 C LYS A 5 -1.154 -4.772 12.278 1.00 0.00 C ATOM 137 O LYS A 5 -0.005 -4.553 11.948 1.00 0.00 O ATOM 138 CB LYS A 5 -1.950 -7.006 13.058 1.00 0.00 C ATOM 139 CG LYS A 5 -2.157 -7.901 14.282 1.00 0.00 C ATOM 140 CD LYS A 5 -2.520 -9.315 13.825 1.00 0.00 C ATOM 141 CE LYS A 5 -2.851 -10.177 15.044 1.00 0.00 C ATOM 142 NZ LYS A 5 -1.644 -10.295 15.911 1.00 0.00 N ATOM 0 H LYS A 5 -3.418 -5.503 14.390 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.577 -5.718 14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.881 -6.917 12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.216 -7.453 12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.250 -7.924 14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.949 -7.496 14.912 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.373 -9.282 13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.690 -9.754 13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.673 -9.732 15.605 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.181 -11.166 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.773 -11.081 16.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.808 -10.477 15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.508 -9.409 16.439 1.00 0.00 H new ATOM 156 N GLY A 6 -2.158 -4.298 11.591 1.00 0.00 N ATOM 157 CA GLY A 6 -1.906 -3.471 10.378 1.00 0.00 C ATOM 158 C GLY A 6 -1.110 -2.216 10.745 1.00 0.00 C ATOM 159 O GLY A 6 -0.235 -1.793 10.017 1.00 0.00 O ATOM 0 H GLY A 6 -3.141 -4.448 11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.357 -4.055 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.854 -3.188 9.920 1.00 0.00 H new ATOM 163 N ALA A 7 -1.409 -1.613 11.862 1.00 0.00 N ATOM 164 CA ALA A 7 -0.670 -0.382 12.260 1.00 0.00 C ATOM 165 C ALA A 7 0.810 -0.706 12.467 1.00 0.00 C ATOM 166 O ALA A 7 1.679 -0.042 11.939 1.00 0.00 O ATOM 167 CB ALA A 7 -1.257 0.166 13.562 1.00 0.00 C ATOM 0 H ALA A 7 -2.131 -1.918 12.515 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.767 0.364 11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.717 1.067 13.854 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.310 0.406 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.163 -0.584 14.347 1.00 0.00 H new ATOM 173 N THR A 8 1.104 -1.719 13.230 1.00 0.00 N ATOM 174 CA THR A 8 2.526 -2.082 13.466 1.00 0.00 C ATOM 175 C THR A 8 3.099 -2.756 12.218 1.00 0.00 C ATOM 176 O THR A 8 4.252 -2.575 11.881 1.00 0.00 O ATOM 177 CB THR A 8 2.611 -3.042 14.653 1.00 0.00 C ATOM 178 OG1 THR A 8 1.968 -4.264 14.317 1.00 0.00 O ATOM 179 CG2 THR A 8 1.922 -2.417 15.867 1.00 0.00 C ATOM 0 H THR A 8 0.420 -2.312 13.701 1.00 0.00 H new ATOM 0 HA THR A 8 3.101 -1.182 13.683 1.00 0.00 H new ATOM 0 HB THR A 8 3.657 -3.235 14.892 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.022 -4.882 15.076 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.983 -3.102 16.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.416 -1.480 16.123 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.875 -2.223 15.632 1.00 0.00 H new ATOM 187 N LEU A 9 2.305 -3.525 11.522 1.00 0.00 N ATOM 188 CA LEU A 9 2.821 -4.189 10.294 1.00 0.00 C ATOM 189 C LEU A 9 3.339 -3.109 9.350 1.00 0.00 C ATOM 190 O LEU A 9 4.373 -3.248 8.729 1.00 0.00 O ATOM 191 CB LEU A 9 1.691 -4.965 9.612 1.00 0.00 C ATOM 192 CG LEU A 9 2.259 -5.786 8.452 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.734 -7.144 8.971 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.174 -5.998 7.393 1.00 0.00 C ATOM 0 H LEU A 9 1.330 -3.720 11.749 1.00 0.00 H new ATOM 0 HA LEU A 9 3.621 -4.884 10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.202 -5.622 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.932 -4.274 9.245 1.00 0.00 H new ATOM 0 HG LEU A 9 3.099 -5.251 8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.138 -7.728 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.509 -6.995 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.894 -7.678 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.580 -6.583 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.333 -6.531 7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.835 -5.031 7.020 1.00 0.00 H new ATOM 206 N PHE A 10 2.624 -2.024 9.256 1.00 0.00 N ATOM 207 CA PHE A 10 3.060 -0.909 8.377 1.00 0.00 C ATOM 208 C PHE A 10 4.395 -0.373 8.898 1.00 0.00 C ATOM 209 O PHE A 10 5.334 -0.163 8.154 1.00 0.00 O ATOM 210 CB PHE A 10 2.005 0.199 8.436 1.00 0.00 C ATOM 211 CG PHE A 10 2.321 1.279 7.430 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.918 1.134 6.096 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.007 2.429 7.833 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.206 2.141 5.166 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.292 3.433 6.904 1.00 0.00 C ATOM 216 CZ PHE A 10 2.893 3.291 5.572 1.00 0.00 C ATOM 0 H PHE A 10 1.749 -1.862 9.755 1.00 0.00 H new ATOM 0 HA PHE A 10 3.177 -1.251 7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.018 -0.218 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.972 0.625 9.439 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.386 0.247 5.785 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.316 2.541 8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.898 2.030 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.822 4.321 7.216 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.115 4.069 4.856 1.00 0.00 H new ATOM 226 N LYS A 11 4.474 -0.154 10.181 1.00 0.00 N ATOM 227 CA LYS A 11 5.726 0.366 10.791 1.00 0.00 C ATOM 228 C LYS A 11 6.860 -0.651 10.620 1.00 0.00 C ATOM 229 O LYS A 11 8.000 -0.295 10.394 1.00 0.00 O ATOM 230 CB LYS A 11 5.491 0.596 12.287 1.00 0.00 C ATOM 231 CG LYS A 11 6.664 1.385 12.876 1.00 0.00 C ATOM 232 CD LYS A 11 6.457 1.559 14.381 1.00 0.00 C ATOM 233 CE LYS A 11 7.541 2.483 14.941 1.00 0.00 C ATOM 234 NZ LYS A 11 8.276 1.783 16.032 1.00 0.00 N ATOM 0 H LYS A 11 3.713 -0.316 10.840 1.00 0.00 H new ATOM 0 HA LYS A 11 6.002 1.299 10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.560 1.141 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.388 -0.360 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.601 0.861 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.740 2.359 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.470 1.978 14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.497 0.590 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.232 2.772 14.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.091 3.400 15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.013 2.411 16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.612 1.529 16.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.717 0.920 15.655 1.00 0.00 H new ATOM 248 N THR A 12 6.556 -1.910 10.762 1.00 0.00 N ATOM 249 CA THR A 12 7.612 -2.957 10.648 1.00 0.00 C ATOM 250 C THR A 12 8.131 -3.077 9.211 1.00 0.00 C ATOM 251 O THR A 12 9.294 -3.353 8.994 1.00 0.00 O ATOM 252 CB THR A 12 7.032 -4.304 11.086 1.00 0.00 C ATOM 253 OG1 THR A 12 6.013 -4.697 10.177 1.00 0.00 O ATOM 254 CG2 THR A 12 6.443 -4.174 12.491 1.00 0.00 C ATOM 0 H THR A 12 5.618 -2.262 10.953 1.00 0.00 H new ATOM 0 HA THR A 12 8.446 -2.671 11.289 1.00 0.00 H new ATOM 0 HB THR A 12 7.822 -5.055 11.094 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.616 -3.901 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.030 -5.133 12.803 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.226 -3.873 13.187 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.653 -3.423 12.486 1.00 0.00 H new ATOM 262 N ARG A 13 7.295 -2.898 8.225 1.00 0.00 N ATOM 263 CA ARG A 13 7.786 -3.039 6.822 1.00 0.00 C ATOM 264 C ARG A 13 6.966 -2.168 5.867 1.00 0.00 C ATOM 265 O ARG A 13 6.352 -2.663 4.942 1.00 0.00 O ATOM 266 CB ARG A 13 7.672 -4.502 6.389 1.00 0.00 C ATOM 267 CG ARG A 13 8.658 -5.362 7.185 1.00 0.00 C ATOM 268 CD ARG A 13 8.661 -6.784 6.622 1.00 0.00 C ATOM 269 NE ARG A 13 9.458 -7.670 7.519 1.00 0.00 N ATOM 270 CZ ARG A 13 8.955 -8.070 8.654 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.756 -7.696 9.005 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.653 -8.846 9.438 1.00 0.00 N ATOM 0 H ARG A 13 6.307 -2.664 8.325 1.00 0.00 H new ATOM 0 HA ARG A 13 8.826 -2.715 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.654 -4.859 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.878 -4.591 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.659 -4.934 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.377 -5.377 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.640 -7.156 6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.085 -6.789 5.618 1.00 0.00 H new ATOM 0 HE ARG A 13 10.396 -7.963 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.211 -7.090 8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.363 -8.009 9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.591 -9.139 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.261 -9.160 10.326 1.00 0.00 H new ATOM 286 N CYS A 14 6.958 -0.880 6.064 1.00 0.00 N ATOM 287 CA CYS A 14 6.186 0.002 5.143 1.00 0.00 C ATOM 288 C CYS A 14 6.476 1.468 5.472 1.00 0.00 C ATOM 289 O CYS A 14 6.746 2.269 4.598 1.00 0.00 O ATOM 290 CB CYS A 14 4.692 -0.280 5.296 1.00 0.00 C ATOM 291 SG CYS A 14 3.826 0.206 3.780 1.00 0.00 S ATOM 0 H CYS A 14 7.449 -0.401 6.818 1.00 0.00 H new ATOM 0 HA CYS A 14 6.484 -0.199 4.114 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.530 -1.339 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.293 0.270 6.148 1.00 0.00 H new ATOM 296 N LEU A 15 6.421 1.825 6.723 1.00 0.00 N ATOM 297 CA LEU A 15 6.692 3.240 7.110 1.00 0.00 C ATOM 298 C LEU A 15 8.105 3.634 6.670 1.00 0.00 C ATOM 299 O LEU A 15 8.348 4.753 6.262 1.00 0.00 O ATOM 300 CB LEU A 15 6.567 3.380 8.633 1.00 0.00 C ATOM 301 CG LEU A 15 6.794 4.838 9.059 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.551 5.677 8.755 1.00 0.00 C ATOM 303 CD2 LEU A 15 7.066 4.880 10.562 1.00 0.00 C ATOM 0 H LEU A 15 6.200 1.199 7.497 1.00 0.00 H new ATOM 0 HA LEU A 15 5.971 3.896 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.579 3.050 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.294 2.734 9.125 1.00 0.00 H new ATOM 0 HG LEU A 15 7.643 5.243 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.724 6.709 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.344 5.646 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.698 5.275 9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.228 5.912 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.210 4.469 11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.953 4.289 10.788 1.00 0.00 H new ATOM 315 N GLN A 16 9.042 2.732 6.761 1.00 0.00 N ATOM 316 CA GLN A 16 10.439 3.066 6.360 1.00 0.00 C ATOM 317 C GLN A 16 10.474 3.514 4.896 1.00 0.00 C ATOM 318 O GLN A 16 11.212 4.407 4.531 1.00 0.00 O ATOM 319 CB GLN A 16 11.326 1.831 6.533 1.00 0.00 C ATOM 320 CG GLN A 16 11.394 1.457 8.015 1.00 0.00 C ATOM 321 CD GLN A 16 12.245 0.197 8.185 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.502 -0.509 7.232 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.696 -0.115 9.369 1.00 0.00 N ATOM 0 H GLN A 16 8.902 1.779 7.095 1.00 0.00 H new ATOM 0 HA GLN A 16 10.806 3.876 6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.926 0.998 5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.327 2.032 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.823 2.278 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.390 1.286 8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.480 0.479 10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.265 -0.952 9.494 1.00 0.00 H new ATOM 332 N CYS A 17 9.687 2.903 4.054 1.00 0.00 N ATOM 333 CA CYS A 17 9.692 3.298 2.617 1.00 0.00 C ATOM 334 C CYS A 17 8.605 4.341 2.353 1.00 0.00 C ATOM 335 O CYS A 17 8.804 5.281 1.611 1.00 0.00 O ATOM 336 CB CYS A 17 9.413 2.074 1.746 1.00 0.00 C ATOM 337 SG CYS A 17 10.802 0.919 1.843 1.00 0.00 S ATOM 0 H CYS A 17 9.043 2.150 4.297 1.00 0.00 H new ATOM 0 HA CYS A 17 10.669 3.717 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.497 1.583 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.256 2.381 0.712 1.00 0.00 H new ATOM 342 N HIS A 18 7.451 4.170 2.940 1.00 0.00 N ATOM 343 CA HIS A 18 6.343 5.140 2.705 1.00 0.00 C ATOM 344 C HIS A 18 6.137 6.012 3.943 1.00 0.00 C ATOM 345 O HIS A 18 6.075 5.527 5.054 1.00 0.00 O ATOM 346 CB HIS A 18 5.061 4.364 2.400 1.00 0.00 C ATOM 347 CG HIS A 18 5.157 3.760 1.030 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.044 4.518 -0.131 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.340 2.468 0.616 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.158 3.676 -1.177 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.338 2.423 -0.769 1.00 0.00 N ATOM 0 H HIS A 18 7.228 3.401 3.572 1.00 0.00 H new ATOM 0 HA HIS A 18 6.595 5.784 1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.911 3.582 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.199 5.028 2.457 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.901 5.527 -0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.466 1.616 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.109 3.979 -2.212 1.00 0.00 H new ATOM 359 N THR A 19 6.029 7.299 3.756 1.00 0.00 N ATOM 360 CA THR A 19 5.826 8.208 4.917 1.00 0.00 C ATOM 361 C THR A 19 4.361 8.646 4.972 1.00 0.00 C ATOM 362 O THR A 19 3.938 9.324 5.889 1.00 0.00 O ATOM 363 CB THR A 19 6.725 9.435 4.759 1.00 0.00 C ATOM 364 OG1 THR A 19 6.240 10.243 3.696 1.00 0.00 O ATOM 365 CG2 THR A 19 8.153 8.983 4.448 1.00 0.00 C ATOM 0 H THR A 19 6.073 7.760 2.847 1.00 0.00 H new ATOM 0 HA THR A 19 6.080 7.687 5.840 1.00 0.00 H new ATOM 0 HB THR A 19 6.720 10.012 5.684 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.896 10.941 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.795 9.857 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.524 8.363 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.159 8.407 3.523 1.00 0.00 H new ATOM 373 N VAL A 20 3.579 8.256 4.002 1.00 0.00 N ATOM 374 CA VAL A 20 2.139 8.641 3.997 1.00 0.00 C ATOM 375 C VAL A 20 1.994 10.130 4.322 1.00 0.00 C ATOM 376 O VAL A 20 0.925 10.595 4.663 1.00 0.00 O ATOM 377 CB VAL A 20 1.392 7.816 5.046 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.109 7.833 4.745 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.899 6.373 5.014 1.00 0.00 C ATOM 0 H VAL A 20 3.877 7.686 3.211 1.00 0.00 H new ATOM 0 HA VAL A 20 1.720 8.449 3.009 1.00 0.00 H new ATOM 0 HB VAL A 20 1.567 8.245 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.637 7.244 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.473 8.860 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.287 7.407 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.367 5.784 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.725 5.948 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.967 6.358 5.232 1.00 0.00 H new ATOM 389 N GLU A 21 3.056 10.883 4.216 1.00 0.00 N ATOM 390 CA GLU A 21 2.967 12.341 4.518 1.00 0.00 C ATOM 391 C GLU A 21 2.966 13.135 3.207 1.00 0.00 C ATOM 392 O GLU A 21 3.716 12.846 2.297 1.00 0.00 O ATOM 393 CB GLU A 21 4.166 12.761 5.372 1.00 0.00 C ATOM 394 CG GLU A 21 3.985 14.210 5.830 1.00 0.00 C ATOM 395 CD GLU A 21 5.218 14.655 6.618 1.00 0.00 C ATOM 396 OE1 GLU A 21 6.135 13.860 6.745 1.00 0.00 O ATOM 397 OE2 GLU A 21 5.225 15.783 7.080 1.00 0.00 O ATOM 0 H GLU A 21 3.979 10.553 3.934 1.00 0.00 H new ATOM 0 HA GLU A 21 2.046 12.543 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.258 12.104 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.087 12.662 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.838 14.859 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.093 14.298 6.450 1.00 0.00 H new ATOM 404 N LYS A 22 2.129 14.131 3.105 1.00 0.00 N ATOM 405 CA LYS A 22 2.080 14.937 1.851 1.00 0.00 C ATOM 406 C LYS A 22 3.268 15.899 1.804 1.00 0.00 C ATOM 407 O LYS A 22 4.316 15.584 1.277 1.00 0.00 O ATOM 408 CB LYS A 22 0.778 15.741 1.822 1.00 0.00 C ATOM 409 CG LYS A 22 0.748 16.611 0.566 1.00 0.00 C ATOM 410 CD LYS A 22 -0.610 17.310 0.459 1.00 0.00 C ATOM 411 CE LYS A 22 -0.749 18.335 1.588 1.00 0.00 C ATOM 412 NZ LYS A 22 -1.795 19.332 1.226 1.00 0.00 N ATOM 0 H LYS A 22 1.478 14.422 3.834 1.00 0.00 H new ATOM 0 HA LYS A 22 2.125 14.269 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.079 15.067 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.703 16.365 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.547 17.351 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.924 15.998 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.701 17.804 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.414 16.576 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.016 17.834 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.204 18.837 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.890 20.029 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.522 19.818 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.704 18.846 1.085 1.00 0.00 H new ATOM 426 N GLY A 23 3.111 17.070 2.355 1.00 0.00 N ATOM 427 CA GLY A 23 4.226 18.057 2.347 1.00 0.00 C ATOM 428 C GLY A 23 5.497 17.395 2.882 1.00 0.00 C ATOM 429 O GLY A 23 6.591 17.888 2.697 1.00 0.00 O ATOM 0 H GLY A 23 2.256 17.387 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.393 18.425 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.967 18.920 2.961 1.00 0.00 H new ATOM 433 N GLY A 24 5.355 16.283 3.549 1.00 0.00 N ATOM 434 CA GLY A 24 6.549 15.583 4.105 1.00 0.00 C ATOM 435 C GLY A 24 7.692 15.618 3.089 1.00 0.00 C ATOM 436 O GLY A 24 7.496 15.907 1.925 1.00 0.00 O ATOM 0 H GLY A 24 4.461 15.827 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.862 16.060 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.297 14.550 4.346 1.00 0.00 H new ATOM 440 N PRO A 25 8.881 15.321 3.538 1.00 0.00 N ATOM 441 CA PRO A 25 10.102 15.311 2.679 1.00 0.00 C ATOM 442 C PRO A 25 10.017 14.260 1.571 1.00 0.00 C ATOM 443 O PRO A 25 10.814 14.243 0.655 1.00 0.00 O ATOM 444 CB PRO A 25 11.237 14.965 3.650 1.00 0.00 C ATOM 445 CG PRO A 25 10.572 14.320 4.819 1.00 0.00 C ATOM 446 CD PRO A 25 9.192 14.956 4.926 1.00 0.00 C ATOM 0 HA PRO A 25 10.242 16.264 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.959 14.292 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.783 15.859 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.494 13.242 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.147 14.480 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.459 14.260 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.200 15.828 5.579 1.00 0.00 H new ATOM 454 N HIS A 26 9.062 13.375 1.659 1.00 0.00 N ATOM 455 CA HIS A 26 8.922 12.314 0.623 1.00 0.00 C ATOM 456 C HIS A 26 10.190 11.460 0.602 1.00 0.00 C ATOM 457 O HIS A 26 11.182 11.813 -0.002 1.00 0.00 O ATOM 458 CB HIS A 26 8.703 12.950 -0.755 1.00 0.00 C ATOM 459 CG HIS A 26 7.243 12.886 -1.111 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.694 11.811 -1.797 1.00 0.00 N ATOM 461 CD2 HIS A 26 6.205 13.756 -0.885 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.381 12.061 -1.959 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.035 13.231 -1.421 1.00 0.00 N ATOM 0 H HIS A 26 8.370 13.342 2.408 1.00 0.00 H new ATOM 0 HA HIS A 26 8.062 11.688 0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.041 13.986 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.295 12.427 -1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.285 14.702 -0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.694 11.397 -2.462 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.106 13.652 -1.406 1.00 0.00 H new ATOM 472 N LYS A 27 10.163 10.335 1.264 1.00 0.00 N ATOM 473 CA LYS A 27 11.360 9.450 1.294 1.00 0.00 C ATOM 474 C LYS A 27 11.514 8.731 -0.049 1.00 0.00 C ATOM 475 O LYS A 27 10.883 9.081 -1.028 1.00 0.00 O ATOM 476 CB LYS A 27 11.209 8.429 2.422 1.00 0.00 C ATOM 477 CG LYS A 27 11.399 9.132 3.768 1.00 0.00 C ATOM 478 CD LYS A 27 11.337 8.102 4.899 1.00 0.00 C ATOM 479 CE LYS A 27 11.401 8.820 6.247 1.00 0.00 C ATOM 480 NZ LYS A 27 12.824 9.080 6.606 1.00 0.00 N ATOM 0 H LYS A 27 9.358 9.990 1.788 1.00 0.00 H new ATOM 0 HA LYS A 27 12.251 10.053 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.224 7.963 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.944 7.632 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.358 9.650 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.626 9.887 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.417 7.522 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.165 7.398 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.850 9.759 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.926 8.213 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.867 9.568 7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.336 8.177 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.263 9.676 5.875 1.00 0.00 H new ATOM 494 N VAL A 28 12.365 7.740 -0.108 1.00 0.00 N ATOM 495 CA VAL A 28 12.577 7.013 -1.393 1.00 0.00 C ATOM 496 C VAL A 28 11.231 6.591 -1.983 1.00 0.00 C ATOM 497 O VAL A 28 10.977 6.765 -3.158 1.00 0.00 O ATOM 498 CB VAL A 28 13.427 5.768 -1.134 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.431 4.883 -2.380 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.860 6.189 -0.801 1.00 0.00 C ATOM 0 H VAL A 28 12.922 7.404 0.678 1.00 0.00 H new ATOM 0 HA VAL A 28 13.087 7.671 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 28 13.008 5.211 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.037 3.996 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.410 4.582 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.849 5.439 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.466 5.302 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.279 6.747 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.857 6.818 0.089 1.00 0.00 H new ATOM 510 N GLY A 29 10.361 6.041 -1.182 1.00 0.00 N ATOM 511 CA GLY A 29 9.035 5.617 -1.712 1.00 0.00 C ATOM 512 C GLY A 29 8.070 6.806 -1.662 1.00 0.00 C ATOM 513 O GLY A 29 8.173 7.656 -0.801 1.00 0.00 O ATOM 0 H GLY A 29 10.510 5.867 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.137 5.259 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.642 4.789 -1.122 1.00 0.00 H new ATOM 517 N PRO A 30 7.133 6.869 -2.576 1.00 0.00 N ATOM 518 CA PRO A 30 6.136 7.979 -2.624 1.00 0.00 C ATOM 519 C PRO A 30 5.241 7.991 -1.383 1.00 0.00 C ATOM 520 O PRO A 30 4.954 6.962 -0.805 1.00 0.00 O ATOM 521 CB PRO A 30 5.312 7.694 -3.885 1.00 0.00 C ATOM 522 CG PRO A 30 5.536 6.252 -4.200 1.00 0.00 C ATOM 523 CD PRO A 30 6.918 5.895 -3.656 1.00 0.00 C ATOM 0 HA PRO A 30 6.618 8.956 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.255 7.898 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.630 8.329 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.767 5.631 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.486 6.078 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.949 4.871 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.684 5.977 -4.427 1.00 0.00 H new ATOM 531 N ASN A 31 4.798 9.143 -0.963 1.00 0.00 N ATOM 532 CA ASN A 31 3.926 9.207 0.242 1.00 0.00 C ATOM 533 C ASN A 31 2.475 8.945 -0.164 1.00 0.00 C ATOM 534 O ASN A 31 2.008 9.424 -1.178 1.00 0.00 O ATOM 535 CB ASN A 31 4.033 10.596 0.876 1.00 0.00 C ATOM 536 CG ASN A 31 5.470 10.843 1.335 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.775 11.887 1.879 1.00 0.00 O ATOM 538 ND2 ASN A 31 6.377 9.925 1.139 1.00 0.00 N ATOM 0 H ASN A 31 5.002 10.041 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 31 4.245 8.453 0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.734 11.359 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.352 10.673 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.338 10.085 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.125 9.048 0.683 1.00 0.00 H new ATOM 545 N LEU A 32 1.757 8.186 0.619 1.00 0.00 N ATOM 546 CA LEU A 32 0.336 7.896 0.275 1.00 0.00 C ATOM 547 C LEU A 32 -0.578 8.902 0.976 1.00 0.00 C ATOM 548 O LEU A 32 -0.361 9.266 2.114 1.00 0.00 O ATOM 549 CB LEU A 32 -0.026 6.480 0.731 1.00 0.00 C ATOM 550 CG LEU A 32 0.844 5.462 -0.011 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.298 5.579 0.454 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.331 4.050 0.280 1.00 0.00 C ATOM 0 H LEU A 32 2.092 7.755 1.480 1.00 0.00 H new ATOM 0 HA LEU A 32 0.206 7.975 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.123 6.385 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.080 6.283 0.536 1.00 0.00 H new ATOM 0 HG LEU A 32 0.793 5.660 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.910 4.851 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.666 6.584 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.354 5.385 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.949 3.323 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.380 3.859 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.702 3.961 -0.057 1.00 0.00 H new ATOM 564 N HIS A 33 -1.600 9.351 0.302 1.00 0.00 N ATOM 565 CA HIS A 33 -2.534 10.332 0.924 1.00 0.00 C ATOM 566 C HIS A 33 -3.710 10.572 -0.022 1.00 0.00 C ATOM 567 O HIS A 33 -3.670 11.440 -0.871 1.00 0.00 O ATOM 568 CB HIS A 33 -1.799 11.650 1.175 1.00 0.00 C ATOM 569 CG HIS A 33 -1.343 12.228 -0.137 1.00 0.00 C ATOM 570 ND1 HIS A 33 -0.282 11.690 -0.853 1.00 0.00 N ATOM 571 CD2 HIS A 33 -1.792 13.295 -0.876 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.129 12.429 -1.969 1.00 0.00 C ATOM 573 NE2 HIS A 33 -1.024 13.418 -2.028 1.00 0.00 N ATOM 0 H HIS A 33 -1.829 9.081 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.901 9.940 1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.456 12.354 1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.943 11.482 1.828 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.279 10.882 -0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.615 13.939 -0.604 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.623 12.245 -2.722 1.00 0.00 H new ATOM 582 N GLY A 34 -4.755 9.803 0.112 1.00 0.00 N ATOM 583 CA GLY A 34 -5.930 9.981 -0.785 1.00 0.00 C ATOM 584 C GLY A 34 -5.783 9.052 -1.991 1.00 0.00 C ATOM 585 O GLY A 34 -6.576 9.077 -2.910 1.00 0.00 O ATOM 0 H GLY A 34 -4.846 9.059 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.851 9.757 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.998 11.018 -1.115 1.00 0.00 H new ATOM 589 N ILE A 35 -4.769 8.230 -1.993 1.00 0.00 N ATOM 590 CA ILE A 35 -4.564 7.296 -3.136 1.00 0.00 C ATOM 591 C ILE A 35 -5.798 6.408 -3.299 1.00 0.00 C ATOM 592 O ILE A 35 -6.052 5.872 -4.357 1.00 0.00 O ATOM 593 CB ILE A 35 -3.336 6.424 -2.865 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.923 5.700 -4.150 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.673 5.391 -1.789 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.498 5.162 -3.997 1.00 0.00 C ATOM 0 H ILE A 35 -4.072 8.165 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.409 7.868 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.515 7.055 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.612 4.881 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.976 6.383 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.799 4.769 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.965 5.903 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.496 4.764 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.204 4.647 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.814 5.990 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.460 4.465 -3.160 1.00 0.00 H new ATOM 608 N PHE A 36 -6.570 6.248 -2.258 1.00 0.00 N ATOM 609 CA PHE A 36 -7.785 5.393 -2.358 1.00 0.00 C ATOM 610 C PHE A 36 -8.784 6.030 -3.325 1.00 0.00 C ATOM 611 O PHE A 36 -9.055 7.213 -3.265 1.00 0.00 O ATOM 612 CB PHE A 36 -8.426 5.271 -0.974 1.00 0.00 C ATOM 613 CG PHE A 36 -7.570 4.401 -0.086 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.779 3.016 -0.058 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.571 4.974 0.714 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.993 2.205 0.767 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.784 4.160 1.539 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.995 2.777 1.564 1.00 0.00 C ATOM 0 H PHE A 36 -6.411 6.672 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.507 4.405 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.540 6.259 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.425 4.844 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.548 2.574 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.408 6.042 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.156 1.138 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.014 4.600 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.387 2.150 2.199 1.00 0.00 H new ATOM 628 N GLY A 37 -9.340 5.251 -4.214 1.00 0.00 N ATOM 629 CA GLY A 37 -10.328 5.806 -5.181 1.00 0.00 C ATOM 630 C GLY A 37 -9.607 6.656 -6.229 1.00 0.00 C ATOM 631 O GLY A 37 -10.180 7.556 -6.809 1.00 0.00 O ATOM 0 H GLY A 37 -9.152 4.253 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.870 4.995 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.066 6.411 -4.654 1.00 0.00 H new ATOM 635 N ARG A 38 -8.354 6.384 -6.476 1.00 0.00 N ATOM 636 CA ARG A 38 -7.608 7.187 -7.486 1.00 0.00 C ATOM 637 C ARG A 38 -6.597 6.305 -8.222 1.00 0.00 C ATOM 638 O ARG A 38 -6.342 5.180 -7.839 1.00 0.00 O ATOM 639 CB ARG A 38 -6.888 8.343 -6.792 1.00 0.00 C ATOM 640 CG ARG A 38 -7.927 9.339 -6.269 1.00 0.00 C ATOM 641 CD ARG A 38 -7.218 10.552 -5.667 1.00 0.00 C ATOM 642 NE ARG A 38 -8.228 11.481 -5.082 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.897 11.138 -4.014 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.684 9.978 -3.455 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.779 11.954 -3.506 1.00 0.00 N ATOM 0 H ARG A 38 -7.817 5.644 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.314 7.588 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.280 7.967 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.211 8.837 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.583 9.654 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.556 8.863 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.516 10.231 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.638 11.065 -6.434 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.397 12.388 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.995 9.339 -3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.206 9.710 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.946 12.860 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.301 11.686 -2.672 1.00 0.00 H new ATOM 659 N HIS A 39 -6.029 6.806 -9.285 1.00 0.00 N ATOM 660 CA HIS A 39 -5.045 6.001 -10.063 1.00 0.00 C ATOM 661 C HIS A 39 -3.618 6.379 -9.658 1.00 0.00 C ATOM 662 O HIS A 39 -3.366 7.451 -9.147 1.00 0.00 O ATOM 663 CB HIS A 39 -5.235 6.270 -11.557 1.00 0.00 C ATOM 664 CG HIS A 39 -6.594 5.789 -11.987 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.709 6.616 -11.974 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.033 4.572 -12.447 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.755 5.891 -12.416 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.394 4.643 -12.717 1.00 0.00 N ATOM 0 H HIS A 39 -6.205 7.742 -9.649 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.207 4.944 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.134 7.336 -11.761 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.460 5.761 -12.130 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.416 3.695 -12.579 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.760 6.273 -12.514 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.992 3.897 -13.071 1.00 0.00 H new ATOM 677 N SER A 40 -2.683 5.496 -9.887 1.00 0.00 N ATOM 678 CA SER A 40 -1.266 5.784 -9.520 1.00 0.00 C ATOM 679 C SER A 40 -0.771 7.006 -10.297 1.00 0.00 C ATOM 680 O SER A 40 -1.362 7.415 -11.277 1.00 0.00 O ATOM 681 CB SER A 40 -0.395 4.582 -9.876 1.00 0.00 C ATOM 682 OG SER A 40 -1.072 3.385 -9.523 1.00 0.00 O ATOM 0 H SER A 40 -2.841 4.583 -10.314 1.00 0.00 H new ATOM 0 HA SER A 40 -1.205 5.981 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.171 4.585 -10.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.558 4.642 -9.350 1.00 0.00 H new ATOM 0 HG SER A 40 -1.185 3.348 -8.550 1.00 0.00 H new ATOM 688 N GLY A 41 0.317 7.586 -9.870 1.00 0.00 N ATOM 689 CA GLY A 41 0.860 8.776 -10.583 1.00 0.00 C ATOM 690 C GLY A 41 0.440 10.053 -9.853 1.00 0.00 C ATOM 691 O GLY A 41 0.859 11.140 -10.196 1.00 0.00 O ATOM 0 H GLY A 41 0.854 7.286 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.947 8.716 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.493 8.795 -11.609 1.00 0.00 H new ATOM 695 N GLN A 42 -0.386 9.933 -8.851 1.00 0.00 N ATOM 696 CA GLN A 42 -0.831 11.143 -8.106 1.00 0.00 C ATOM 697 C GLN A 42 0.370 11.828 -7.450 1.00 0.00 C ATOM 698 O GLN A 42 0.455 13.040 -7.409 1.00 0.00 O ATOM 699 CB GLN A 42 -1.832 10.739 -7.024 1.00 0.00 C ATOM 700 CG GLN A 42 -2.445 11.997 -6.409 1.00 0.00 C ATOM 701 CD GLN A 42 -3.323 11.610 -5.220 1.00 0.00 C ATOM 702 OE1 GLN A 42 -2.826 11.369 -4.137 1.00 0.00 O ATOM 703 NE2 GLN A 42 -4.615 11.531 -5.376 1.00 0.00 N ATOM 0 H GLN A 42 -0.772 9.050 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.302 11.834 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.614 10.111 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.335 10.149 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.657 12.677 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.038 12.527 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.032 11.733 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.208 11.267 -4.590 1.00 0.00 H new ATOM 712 N ALA A 43 1.296 11.069 -6.930 1.00 0.00 N ATOM 713 CA ALA A 43 2.480 11.692 -6.272 1.00 0.00 C ATOM 714 C ALA A 43 3.365 12.349 -7.328 1.00 0.00 C ATOM 715 O ALA A 43 4.395 11.828 -7.706 1.00 0.00 O ATOM 716 CB ALA A 43 3.284 10.625 -5.533 1.00 0.00 C ATOM 0 H ALA A 43 1.284 10.049 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 43 2.138 12.444 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.148 11.087 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.656 10.157 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.623 9.869 -6.241 1.00 0.00 H new ATOM 722 N GLU A 44 2.970 13.493 -7.800 1.00 0.00 N ATOM 723 CA GLU A 44 3.780 14.197 -8.830 1.00 0.00 C ATOM 724 C GLU A 44 5.144 14.565 -8.238 1.00 0.00 C ATOM 725 O GLU A 44 6.145 14.585 -8.925 1.00 0.00 O ATOM 726 CB GLU A 44 3.050 15.471 -9.264 1.00 0.00 C ATOM 727 CG GLU A 44 1.733 15.096 -9.944 1.00 0.00 C ATOM 728 CD GLU A 44 1.033 16.365 -10.438 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.492 17.441 -10.096 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.051 16.237 -11.151 1.00 0.00 O ATOM 0 H GLU A 44 2.117 13.975 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 44 3.922 13.547 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.857 16.105 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.674 16.046 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.922 14.423 -10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.090 14.562 -9.245 1.00 0.00 H new ATOM 737 N GLY A 45 5.187 14.858 -6.966 1.00 0.00 N ATOM 738 CA GLY A 45 6.481 15.227 -6.327 1.00 0.00 C ATOM 739 C GLY A 45 7.501 14.103 -6.527 1.00 0.00 C ATOM 740 O GLY A 45 8.680 14.349 -6.687 1.00 0.00 O ATOM 0 H GLY A 45 4.380 14.857 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.859 16.154 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.332 15.409 -5.263 1.00 0.00 H new ATOM 744 N TYR A 46 7.057 12.873 -6.515 1.00 0.00 N ATOM 745 CA TYR A 46 8.004 11.733 -6.700 1.00 0.00 C ATOM 746 C TYR A 46 7.702 11.032 -8.026 1.00 0.00 C ATOM 747 O TYR A 46 6.562 10.779 -8.362 1.00 0.00 O ATOM 748 CB TYR A 46 7.838 10.742 -5.546 1.00 0.00 C ATOM 749 CG TYR A 46 8.912 9.681 -5.635 1.00 0.00 C ATOM 750 CD1 TYR A 46 10.191 9.941 -5.131 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.626 8.442 -6.218 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.188 8.960 -5.211 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.623 7.460 -6.299 1.00 0.00 C ATOM 754 CZ TYR A 46 10.903 7.720 -5.795 1.00 0.00 C ATOM 755 OH TYR A 46 11.885 6.753 -5.874 1.00 0.00 O ATOM 0 H TYR A 46 6.080 12.609 -6.385 1.00 0.00 H new ATOM 0 HA TYR A 46 9.028 12.106 -6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.906 11.264 -4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.851 10.281 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.410 10.898 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.638 8.242 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.176 9.160 -4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.404 6.503 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 46 12.029 6.360 -4.988 1.00 0.00 H new ATOM 765 N SER A 47 8.717 10.722 -8.788 1.00 0.00 N ATOM 766 CA SER A 47 8.491 10.045 -10.095 1.00 0.00 C ATOM 767 C SER A 47 8.078 8.589 -9.864 1.00 0.00 C ATOM 768 O SER A 47 8.277 8.038 -8.800 1.00 0.00 O ATOM 769 CB SER A 47 9.782 10.083 -10.916 1.00 0.00 C ATOM 770 OG SER A 47 10.717 9.168 -10.360 1.00 0.00 O ATOM 0 H SER A 47 9.693 10.909 -8.560 1.00 0.00 H new ATOM 0 HA SER A 47 7.697 10.561 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.575 9.824 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.197 11.091 -10.916 1.00 0.00 H new ATOM 0 HG SER A 47 11.545 9.188 -10.884 1.00 0.00 H new ATOM 776 N TYR A 48 7.508 7.965 -10.860 1.00 0.00 N ATOM 777 CA TYR A 48 7.080 6.544 -10.718 1.00 0.00 C ATOM 778 C TYR A 48 7.908 5.663 -11.654 1.00 0.00 C ATOM 779 O TYR A 48 8.313 6.082 -12.720 1.00 0.00 O ATOM 780 CB TYR A 48 5.599 6.416 -11.083 1.00 0.00 C ATOM 781 CG TYR A 48 4.748 6.992 -9.977 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.549 8.375 -9.890 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.157 6.139 -9.039 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.758 8.903 -8.864 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.366 6.667 -8.013 1.00 0.00 C ATOM 786 CZ TYR A 48 3.166 8.048 -7.926 1.00 0.00 C ATOM 787 OH TYR A 48 2.382 8.568 -6.915 1.00 0.00 O ATOM 0 H TYR A 48 7.320 8.382 -11.772 1.00 0.00 H new ATOM 0 HA TYR A 48 7.231 6.224 -9.687 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.399 6.939 -12.018 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.344 5.368 -11.243 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.006 9.034 -10.614 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.311 5.072 -9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.604 9.970 -8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.910 6.008 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 48 2.672 8.200 -6.054 1.00 0.00 H new ATOM 797 N THR A 49 8.159 4.442 -11.268 1.00 0.00 N ATOM 798 CA THR A 49 8.960 3.536 -12.138 1.00 0.00 C ATOM 799 C THR A 49 8.093 3.059 -13.305 1.00 0.00 C ATOM 800 O THR A 49 6.881 3.118 -13.255 1.00 0.00 O ATOM 801 CB THR A 49 9.433 2.325 -11.327 1.00 0.00 C ATOM 802 OG1 THR A 49 8.307 1.545 -10.947 1.00 0.00 O ATOM 803 CG2 THR A 49 10.177 2.797 -10.076 1.00 0.00 C ATOM 0 H THR A 49 7.844 4.033 -10.388 1.00 0.00 H new ATOM 0 HA THR A 49 9.827 4.074 -12.520 1.00 0.00 H new ATOM 0 HB THR A 49 10.107 1.722 -11.936 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.395 1.280 -10.008 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.511 1.932 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.041 3.393 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.510 3.403 -9.463 1.00 0.00 H new ATOM 811 N ASP A 50 8.705 2.588 -14.356 1.00 0.00 N ATOM 812 CA ASP A 50 7.920 2.112 -15.528 1.00 0.00 C ATOM 813 C ASP A 50 6.936 1.025 -15.086 1.00 0.00 C ATOM 814 O ASP A 50 5.840 0.920 -15.598 1.00 0.00 O ATOM 815 CB ASP A 50 8.871 1.538 -16.577 1.00 0.00 C ATOM 816 CG ASP A 50 9.722 2.665 -17.164 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.400 3.814 -16.918 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.685 2.357 -17.849 1.00 0.00 O ATOM 0 H ASP A 50 9.718 2.512 -14.453 1.00 0.00 H new ATOM 0 HA ASP A 50 7.366 2.949 -15.953 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.512 0.780 -16.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.304 1.046 -17.367 1.00 0.00 H new ATOM 823 N ALA A 51 7.325 0.209 -14.146 1.00 0.00 N ATOM 824 CA ALA A 51 6.422 -0.880 -13.675 1.00 0.00 C ATOM 825 C ALA A 51 5.012 -0.335 -13.428 1.00 0.00 C ATOM 826 O ALA A 51 4.100 -0.579 -14.193 1.00 0.00 O ATOM 827 CB ALA A 51 6.974 -1.464 -12.375 1.00 0.00 C ATOM 0 H ALA A 51 8.232 0.249 -13.682 1.00 0.00 H new ATOM 0 HA ALA A 51 6.371 -1.654 -14.440 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.317 -2.261 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.971 -1.867 -12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.028 -0.681 -11.618 1.00 0.00 H new ATOM 833 N ASN A 52 4.818 0.387 -12.358 1.00 0.00 N ATOM 834 CA ASN A 52 3.457 0.930 -12.060 1.00 0.00 C ATOM 835 C ASN A 52 2.903 1.685 -13.271 1.00 0.00 C ATOM 836 O ASN A 52 1.741 1.562 -13.604 1.00 0.00 O ATOM 837 CB ASN A 52 3.532 1.880 -10.863 1.00 0.00 C ATOM 838 CG ASN A 52 2.140 2.453 -10.575 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.873 3.597 -10.881 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.236 1.704 -10.001 1.00 0.00 N ATOM 0 H ASN A 52 5.539 0.625 -11.677 1.00 0.00 H new ATOM 0 HA ASN A 52 2.794 0.096 -11.829 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.906 1.350 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.233 2.688 -11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.307 2.081 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.459 0.743 -9.743 1.00 0.00 H new ATOM 847 N ILE A 53 3.710 2.466 -13.935 1.00 0.00 N ATOM 848 CA ILE A 53 3.201 3.214 -15.112 1.00 0.00 C ATOM 849 C ILE A 53 2.632 2.228 -16.134 1.00 0.00 C ATOM 850 O ILE A 53 1.501 2.345 -16.560 1.00 0.00 O ATOM 851 CB ILE A 53 4.351 4.000 -15.741 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.890 5.011 -14.727 1.00 0.00 C ATOM 853 CG2 ILE A 53 3.843 4.735 -16.972 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.145 5.679 -15.292 1.00 0.00 C ATOM 0 H ILE A 53 4.694 2.616 -13.713 1.00 0.00 H new ATOM 0 HA ILE A 53 2.415 3.903 -14.801 1.00 0.00 H new ATOM 0 HB ILE A 53 5.149 3.316 -16.029 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.132 5.763 -14.509 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.123 4.511 -13.787 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.661 5.297 -17.423 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.457 4.014 -17.693 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.047 5.421 -16.683 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.530 6.400 -14.570 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.904 4.921 -15.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.897 6.193 -16.221 1.00 0.00 H new ATOM 866 N LYS A 54 3.405 1.250 -16.521 1.00 0.00 N ATOM 867 CA LYS A 54 2.904 0.252 -17.505 1.00 0.00 C ATOM 868 C LYS A 54 1.717 -0.500 -16.901 1.00 0.00 C ATOM 869 O LYS A 54 0.751 -0.804 -17.574 1.00 0.00 O ATOM 870 CB LYS A 54 4.020 -0.741 -17.839 1.00 0.00 C ATOM 871 CG LYS A 54 3.552 -1.680 -18.953 1.00 0.00 C ATOM 872 CD LYS A 54 4.645 -2.712 -19.243 1.00 0.00 C ATOM 873 CE LYS A 54 4.249 -3.547 -20.462 1.00 0.00 C ATOM 874 NZ LYS A 54 5.427 -4.322 -20.937 1.00 0.00 N ATOM 0 H LYS A 54 4.361 1.100 -16.198 1.00 0.00 H new ATOM 0 HA LYS A 54 2.589 0.762 -18.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.916 -0.205 -18.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.287 -1.316 -16.952 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.631 -2.183 -18.657 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.327 -1.109 -19.854 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.595 -2.210 -19.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.788 -3.359 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.435 -4.224 -20.203 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.883 -2.898 -21.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.158 -4.890 -21.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.191 -3.667 -21.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.757 -4.952 -20.178 1.00 0.00 H new ATOM 888 N LYS A 55 1.785 -0.804 -15.634 1.00 0.00 N ATOM 889 CA LYS A 55 0.671 -1.541 -14.976 1.00 0.00 C ATOM 890 C LYS A 55 -0.191 -0.568 -14.167 1.00 0.00 C ATOM 891 O LYS A 55 -0.792 -0.939 -13.179 1.00 0.00 O ATOM 892 CB LYS A 55 1.241 -2.609 -14.040 1.00 0.00 C ATOM 893 CG LYS A 55 2.015 -3.645 -14.858 1.00 0.00 C ATOM 894 CD LYS A 55 2.470 -4.783 -13.944 1.00 0.00 C ATOM 895 CE LYS A 55 3.317 -5.773 -14.748 1.00 0.00 C ATOM 896 NZ LYS A 55 2.493 -6.357 -15.843 1.00 0.00 N ATOM 0 H LYS A 55 2.569 -0.572 -15.024 1.00 0.00 H new ATOM 0 HA LYS A 55 0.059 -2.016 -15.743 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.898 -2.148 -13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.434 -3.093 -13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.386 -4.036 -15.657 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.878 -3.178 -15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.049 -4.385 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.604 -5.290 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.189 -5.268 -15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.688 -6.564 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.953 -7.218 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.549 -6.595 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.402 -5.666 -16.615 1.00 0.00 H new ATOM 910 N ASN A 56 -0.255 0.673 -14.570 1.00 0.00 N ATOM 911 CA ASN A 56 -1.081 1.652 -13.806 1.00 0.00 C ATOM 912 C ASN A 56 -2.417 1.002 -13.449 1.00 0.00 C ATOM 913 O ASN A 56 -3.100 0.460 -14.294 1.00 0.00 O ATOM 914 CB ASN A 56 -1.330 2.898 -14.658 1.00 0.00 C ATOM 915 CG ASN A 56 -2.034 3.960 -13.812 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.793 4.757 -14.324 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.814 4.001 -12.526 1.00 0.00 N ATOM 0 H ASN A 56 0.225 1.049 -15.388 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.555 1.943 -12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.385 3.287 -15.038 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.941 2.644 -15.524 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.280 4.703 -11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.176 3.331 -12.096 1.00 0.00 H new ATOM 924 N VAL A 57 -2.782 1.031 -12.196 1.00 0.00 N ATOM 925 CA VAL A 57 -4.062 0.394 -11.775 1.00 0.00 C ATOM 926 C VAL A 57 -4.827 1.316 -10.825 1.00 0.00 C ATOM 927 O VAL A 57 -4.251 2.123 -10.124 1.00 0.00 O ATOM 928 CB VAL A 57 -3.755 -0.921 -11.062 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.958 -0.632 -9.790 1.00 0.00 C ATOM 930 CG2 VAL A 57 -5.066 -1.620 -10.695 1.00 0.00 C ATOM 0 H VAL A 57 -2.248 1.469 -11.445 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.675 0.209 -12.657 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.172 -1.566 -11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.737 -1.569 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.025 -0.132 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.543 0.011 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.848 -2.559 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.649 -0.977 -10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.636 -1.823 -11.601 1.00 0.00 H new ATOM 940 N LEU A 58 -6.126 1.190 -10.790 1.00 0.00 N ATOM 941 CA LEU A 58 -6.941 2.042 -9.878 1.00 0.00 C ATOM 942 C LEU A 58 -6.688 1.599 -8.439 1.00 0.00 C ATOM 943 O LEU A 58 -6.646 0.422 -8.143 1.00 0.00 O ATOM 944 CB LEU A 58 -8.428 1.870 -10.217 1.00 0.00 C ATOM 945 CG LEU A 58 -9.290 2.689 -9.250 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.014 4.179 -9.445 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.767 2.405 -9.527 1.00 0.00 C ATOM 0 H LEU A 58 -6.660 0.531 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.665 3.090 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.614 2.190 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.703 0.817 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.047 2.411 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.629 4.756 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.961 4.383 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.254 4.462 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.384 2.986 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.005 2.684 -10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.966 1.343 -9.384 1.00 0.00 H new ATOM 959 N TRP A 59 -6.507 2.529 -7.542 1.00 0.00 N ATOM 960 CA TRP A 59 -6.245 2.142 -6.132 1.00 0.00 C ATOM 961 C TRP A 59 -7.533 2.207 -5.316 1.00 0.00 C ATOM 962 O TRP A 59 -8.221 3.210 -5.280 1.00 0.00 O ATOM 963 CB TRP A 59 -5.202 3.086 -5.533 1.00 0.00 C ATOM 964 CG TRP A 59 -3.886 2.818 -6.179 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.199 3.693 -6.946 1.00 0.00 C ATOM 966 CD2 TRP A 59 -3.092 1.599 -6.139 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.033 3.088 -7.377 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.922 1.796 -6.907 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.275 0.354 -5.517 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.966 0.793 -7.053 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.315 -0.658 -5.660 1.00 0.00 C ATOM 972 CH2 TRP A 59 -1.162 -0.439 -6.427 1.00 0.00 C ATOM 0 H TRP A 59 -6.529 3.532 -7.725 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.869 1.119 -6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.496 4.123 -5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.131 2.936 -4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.510 4.700 -7.183 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.339 3.542 -7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.160 0.175 -4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.080 0.967 -7.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.465 -1.612 -5.176 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.426 -1.223 -6.533 1.00 0.00 H new ATOM 983 N ASP A 60 -7.847 1.130 -4.655 1.00 0.00 N ATOM 984 CA ASP A 60 -9.073 1.072 -3.814 1.00 0.00 C ATOM 985 C ASP A 60 -8.816 0.088 -2.672 1.00 0.00 C ATOM 986 O ASP A 60 -7.888 -0.693 -2.721 1.00 0.00 O ATOM 987 CB ASP A 60 -10.254 0.587 -4.657 1.00 0.00 C ATOM 988 CG ASP A 60 -11.552 0.759 -3.865 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.492 1.321 -2.784 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.583 0.327 -4.353 1.00 0.00 O ATOM 0 H ASP A 60 -7.296 0.272 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.309 2.060 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.306 1.152 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.116 -0.460 -4.927 1.00 0.00 H new ATOM 995 N GLU A 61 -9.613 0.114 -1.644 1.00 0.00 N ATOM 996 CA GLU A 61 -9.373 -0.827 -0.515 1.00 0.00 C ATOM 997 C GLU A 61 -9.328 -2.259 -1.049 1.00 0.00 C ATOM 998 O GLU A 61 -8.522 -3.066 -0.627 1.00 0.00 O ATOM 999 CB GLU A 61 -10.509 -0.695 0.501 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.511 0.721 1.078 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.605 0.841 2.137 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.374 -0.095 2.274 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.655 1.868 2.793 1.00 0.00 O ATOM 0 H GLU A 61 -10.412 0.738 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.424 -0.590 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.466 -0.906 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.384 -1.425 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.539 0.947 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.679 1.448 0.283 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.182 -2.584 -1.979 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.181 -3.961 -2.547 1.00 0.00 C ATOM 1012 C ASN A 62 -8.909 -4.195 -3.368 1.00 0.00 C ATOM 1013 O ASN A 62 -8.247 -5.207 -3.235 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.399 -4.129 -3.457 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.392 -5.533 -4.062 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.890 -6.468 -3.467 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.838 -5.720 -5.229 1.00 0.00 N ATOM 0 H ASN A 62 -10.882 -1.954 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.217 -4.682 -1.730 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.316 -3.971 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.381 -3.380 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.823 -6.652 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.420 -4.934 -5.727 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.574 -3.272 -4.226 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.359 -3.441 -5.073 1.00 0.00 C ATOM 1026 C ASN A 63 -6.105 -3.545 -4.203 1.00 0.00 C ATOM 1027 O ASN A 63 -5.213 -4.322 -4.483 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.233 -2.245 -6.016 1.00 0.00 C ATOM 1029 CG ASN A 63 -6.176 -2.545 -7.081 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -6.331 -3.460 -7.866 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -5.101 -1.808 -7.142 1.00 0.00 N ATOM 0 H ASN A 63 -9.090 -2.406 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.456 -4.360 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.193 -2.038 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.956 -1.353 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.391 -2.000 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.971 -1.040 -6.483 1.00 0.00 H new ATOM 1038 N MET A 64 -6.019 -2.771 -3.158 1.00 0.00 N ATOM 1039 CA MET A 64 -4.808 -2.840 -2.292 1.00 0.00 C ATOM 1040 C MET A 64 -4.657 -4.248 -1.726 1.00 0.00 C ATOM 1041 O MET A 64 -3.565 -4.764 -1.608 1.00 0.00 O ATOM 1042 CB MET A 64 -4.932 -1.836 -1.144 1.00 0.00 C ATOM 1043 CG MET A 64 -4.832 -0.418 -1.701 1.00 0.00 C ATOM 1044 SD MET A 64 -4.754 0.768 -0.340 1.00 0.00 S ATOM 1045 CE MET A 64 -4.636 2.258 -1.359 1.00 0.00 C ATOM 0 H MET A 64 -6.728 -2.098 -2.867 1.00 0.00 H new ATOM 0 HA MET A 64 -3.930 -2.596 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.883 -1.971 -0.629 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.145 -2.007 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.945 -0.325 -2.328 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.694 -0.204 -2.333 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.381 3.110 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.863 2.121 -2.115 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.593 2.442 -1.847 1.00 0.00 H new ATOM 1055 N SER A 65 -5.742 -4.883 -1.378 1.00 0.00 N ATOM 1056 CA SER A 65 -5.639 -6.260 -0.824 1.00 0.00 C ATOM 1057 C SER A 65 -4.956 -7.164 -1.854 1.00 0.00 C ATOM 1058 O SER A 65 -4.119 -7.981 -1.523 1.00 0.00 O ATOM 1059 CB SER A 65 -7.039 -6.795 -0.522 1.00 0.00 C ATOM 1060 OG SER A 65 -7.702 -5.899 0.362 1.00 0.00 O ATOM 0 H SER A 65 -6.689 -4.510 -1.453 1.00 0.00 H new ATOM 0 HA SER A 65 -5.054 -6.244 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.608 -6.901 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.973 -7.786 -0.073 1.00 0.00 H new ATOM 0 HG SER A 65 -7.985 -5.102 -0.132 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.301 -7.018 -3.102 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.672 -7.858 -4.157 1.00 0.00 C ATOM 1068 C GLU A 66 -3.201 -7.466 -4.320 1.00 0.00 C ATOM 1069 O GLU A 66 -2.360 -8.283 -4.640 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.405 -7.632 -5.477 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.845 -8.128 -5.356 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.848 -9.638 -5.109 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.834 -10.264 -5.369 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -7.866 -10.143 -4.665 1.00 0.00 O ATOM 0 H GLU A 66 -5.995 -6.350 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.735 -8.908 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.395 -6.573 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.895 -8.160 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.350 -7.614 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.398 -7.897 -6.267 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.892 -6.215 -4.120 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.485 -5.749 -4.279 1.00 0.00 C ATOM 1083 C HIS A 67 -0.555 -6.549 -3.365 1.00 0.00 C ATOM 1084 O HIS A 67 0.474 -7.039 -3.785 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.416 -4.267 -3.906 1.00 0.00 C ATOM 1086 CG HIS A 67 -0.057 -3.716 -4.240 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.431 -3.703 -5.537 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.922 -3.141 -3.463 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.651 -3.137 -5.505 1.00 0.00 C ATOM 1090 NE2 HIS A 67 1.996 -2.779 -4.267 1.00 0.00 N ATOM 0 H HIS A 67 -3.558 -5.490 -3.851 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.168 -5.894 -5.312 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.185 -3.712 -4.444 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.617 -4.141 -2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.048 -4.058 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.865 -2.994 -2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.274 -2.990 -6.375 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.906 -6.679 -2.119 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.042 -7.440 -1.177 1.00 0.00 C ATOM 1101 C LEU A 68 -0.149 -8.941 -1.451 1.00 0.00 C ATOM 1102 O LEU A 68 0.712 -9.708 -1.081 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.467 -7.135 0.255 1.00 0.00 C ATOM 1104 CG LEU A 68 0.058 -5.754 0.642 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.627 -4.690 -0.213 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.242 -5.488 2.113 1.00 0.00 C ATOM 0 H LEU A 68 -1.756 -6.290 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 68 0.996 -7.139 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.553 -7.163 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.074 -7.892 0.934 1.00 0.00 H new ATOM 0 HG LEU A 68 1.135 -5.718 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.252 -3.704 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.415 -4.877 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.704 -4.728 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.133 -4.502 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.319 -5.525 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.245 -6.246 2.727 1.00 0.00 H new ATOM 1118 N THR A 69 -1.193 -9.375 -2.093 1.00 0.00 N ATOM 1119 CA THR A 69 -1.314 -10.833 -2.374 1.00 0.00 C ATOM 1120 C THR A 69 -0.092 -11.298 -3.177 1.00 0.00 C ATOM 1121 O THR A 69 0.396 -12.396 -2.997 1.00 0.00 O ATOM 1122 CB THR A 69 -2.590 -11.101 -3.177 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.700 -10.527 -2.505 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.796 -12.613 -3.308 1.00 0.00 C ATOM 0 H THR A 69 -1.960 -8.794 -2.433 1.00 0.00 H new ATOM 0 HA THR A 69 -1.363 -11.381 -1.433 1.00 0.00 H new ATOM 0 HB THR A 69 -2.499 -10.658 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.554 -9.564 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.704 -12.808 -3.879 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.942 -13.053 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.889 -13.055 -2.316 1.00 0.00 H new ATOM 1132 N ASN A 70 0.401 -10.475 -4.065 1.00 0.00 N ATOM 1133 CA ASN A 70 1.587 -10.875 -4.880 1.00 0.00 C ATOM 1134 C ASN A 70 2.287 -9.623 -5.438 1.00 0.00 C ATOM 1135 O ASN A 70 2.268 -9.382 -6.628 1.00 0.00 O ATOM 1136 CB ASN A 70 1.123 -11.751 -6.045 1.00 0.00 C ATOM 1137 CG ASN A 70 -0.197 -11.212 -6.595 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -1.259 -11.581 -6.130 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -0.180 -10.347 -7.571 1.00 0.00 N ATOM 0 H ASN A 70 0.034 -9.544 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 70 2.285 -11.428 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.879 -11.761 -6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.997 -12.781 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.056 -9.981 -7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.710 -10.037 -7.962 1.00 0.00 H new ATOM 1146 N PRO A 71 2.894 -8.828 -4.589 1.00 0.00 N ATOM 1147 CA PRO A 71 3.599 -7.580 -5.017 1.00 0.00 C ATOM 1148 C PRO A 71 4.805 -7.853 -5.921 1.00 0.00 C ATOM 1149 O PRO A 71 5.288 -6.973 -6.605 1.00 0.00 O ATOM 1150 CB PRO A 71 4.057 -6.937 -3.705 1.00 0.00 C ATOM 1151 CG PRO A 71 4.057 -8.036 -2.697 1.00 0.00 C ATOM 1152 CD PRO A 71 2.979 -9.021 -3.133 1.00 0.00 C ATOM 0 HA PRO A 71 2.940 -6.945 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.050 -6.500 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.385 -6.132 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.032 -8.522 -2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.848 -7.648 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.249 -10.047 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.026 -8.813 -2.646 1.00 0.00 H new ATOM 1160 N ALA A 72 5.310 -9.056 -5.918 1.00 0.00 N ATOM 1161 CA ALA A 72 6.497 -9.363 -6.766 1.00 0.00 C ATOM 1162 C ALA A 72 6.165 -9.152 -8.247 1.00 0.00 C ATOM 1163 O ALA A 72 6.879 -8.475 -8.960 1.00 0.00 O ATOM 1164 CB ALA A 72 6.914 -10.819 -6.544 1.00 0.00 C ATOM 0 H ALA A 72 4.954 -9.837 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 72 7.312 -8.694 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.782 -11.047 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.167 -10.969 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.090 -11.479 -6.817 1.00 0.00 H new ATOM 1170 N LYS A 73 5.094 -9.728 -8.721 1.00 0.00 N ATOM 1171 CA LYS A 73 4.736 -9.557 -10.160 1.00 0.00 C ATOM 1172 C LYS A 73 3.750 -8.398 -10.325 1.00 0.00 C ATOM 1173 O LYS A 73 3.394 -8.029 -11.425 1.00 0.00 O ATOM 1174 CB LYS A 73 4.096 -10.845 -10.680 1.00 0.00 C ATOM 1175 CG LYS A 73 5.119 -11.982 -10.621 1.00 0.00 C ATOM 1176 CD LYS A 73 4.519 -13.242 -11.250 1.00 0.00 C ATOM 1177 CE LYS A 73 5.495 -14.408 -11.087 1.00 0.00 C ATOM 1178 NZ LYS A 73 6.861 -13.973 -11.493 1.00 0.00 N ATOM 0 H LYS A 73 4.453 -10.307 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 73 5.640 -9.338 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.221 -11.097 -10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.751 -10.705 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.028 -11.696 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.401 -12.178 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.568 -13.481 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.313 -13.071 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.503 -14.748 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.174 -15.253 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.415 -14.801 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.791 -13.301 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.332 -13.512 -10.688 1.00 0.00 H new ATOM 1192 N TYR A 74 3.298 -7.827 -9.243 1.00 0.00 N ATOM 1193 CA TYR A 74 2.326 -6.700 -9.348 1.00 0.00 C ATOM 1194 C TYR A 74 2.990 -5.510 -10.055 1.00 0.00 C ATOM 1195 O TYR A 74 2.417 -4.906 -10.941 1.00 0.00 O ATOM 1196 CB TYR A 74 1.892 -6.283 -7.945 1.00 0.00 C ATOM 1197 CG TYR A 74 0.695 -5.364 -8.026 1.00 0.00 C ATOM 1198 CD1 TYR A 74 0.874 -4.010 -8.323 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.588 -5.864 -7.782 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -0.230 -3.154 -8.380 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.695 -5.008 -7.840 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.515 -3.653 -8.139 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.601 -2.806 -8.188 1.00 0.00 O ATOM 0 H TYR A 74 3.558 -8.090 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 74 1.456 -7.018 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.644 -7.165 -7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.714 -5.779 -7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.866 -3.625 -8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.725 -6.910 -7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.091 -2.108 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.687 -5.393 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.453 -2.048 -7.584 1.00 0.00 H new ATOM 1213 N ILE A 75 4.192 -5.168 -9.670 1.00 0.00 N ATOM 1214 CA ILE A 75 4.889 -4.017 -10.323 1.00 0.00 C ATOM 1215 C ILE A 75 6.350 -4.377 -10.591 1.00 0.00 C ATOM 1216 O ILE A 75 7.247 -3.881 -9.939 1.00 0.00 O ATOM 1217 CB ILE A 75 4.849 -2.795 -9.401 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.903 -3.267 -7.944 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.569 -1.984 -9.634 1.00 0.00 C ATOM 1220 CD1 ILE A 75 5.143 -2.070 -7.021 1.00 0.00 C ATOM 0 H ILE A 75 4.721 -5.634 -8.933 1.00 0.00 H new ATOM 0 HA ILE A 75 4.384 -3.792 -11.262 1.00 0.00 H new ATOM 0 HB ILE A 75 5.705 -2.156 -9.619 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.969 -3.762 -7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.700 -4.000 -7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.560 -1.120 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.536 -1.646 -10.670 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.700 -2.609 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.181 -2.410 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.088 -1.594 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.331 -1.352 -7.138 1.00 0.00 H new ATOM 1232 N PRO A 76 6.586 -5.217 -11.550 1.00 0.00 N ATOM 1233 CA PRO A 76 7.963 -5.641 -11.926 1.00 0.00 C ATOM 1234 C PRO A 76 8.801 -4.455 -12.419 1.00 0.00 C ATOM 1235 O PRO A 76 8.336 -3.635 -13.185 1.00 0.00 O ATOM 1236 CB PRO A 76 7.754 -6.655 -13.059 1.00 0.00 C ATOM 1237 CG PRO A 76 6.306 -7.027 -13.022 1.00 0.00 C ATOM 1238 CD PRO A 76 5.565 -5.858 -12.379 1.00 0.00 C ATOM 0 HA PRO A 76 8.504 -6.059 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.020 -6.222 -14.023 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.385 -7.532 -12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.930 -7.217 -14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.157 -7.942 -12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.169 -5.173 -13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.720 -6.199 -11.781 1.00 0.00 H new ATOM 1246 N GLY A 77 10.034 -4.362 -11.998 1.00 0.00 N ATOM 1247 CA GLY A 77 10.888 -3.231 -12.459 1.00 0.00 C ATOM 1248 C GLY A 77 10.822 -2.068 -11.463 1.00 0.00 C ATOM 1249 O GLY A 77 11.206 -0.958 -11.775 1.00 0.00 O ATOM 0 H GLY A 77 10.484 -5.017 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.919 -3.567 -12.567 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.557 -2.895 -13.442 1.00 0.00 H new ATOM 1253 N THR A 78 10.343 -2.308 -10.268 1.00 0.00 N ATOM 1254 CA THR A 78 10.261 -1.210 -9.257 1.00 0.00 C ATOM 1255 C THR A 78 11.149 -1.552 -8.054 1.00 0.00 C ATOM 1256 O THR A 78 11.610 -2.667 -7.908 1.00 0.00 O ATOM 1257 CB THR A 78 8.807 -1.031 -8.807 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.677 0.209 -8.124 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.400 -2.171 -7.875 1.00 0.00 C ATOM 0 H THR A 78 10.005 -3.216 -9.949 1.00 0.00 H new ATOM 0 HA THR A 78 10.610 -0.278 -9.702 1.00 0.00 H new ATOM 0 HB THR A 78 8.158 -1.041 -9.683 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.522 0.043 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.365 -2.033 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.497 -3.122 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.047 -2.173 -6.998 1.00 0.00 H new ATOM 1267 N LYS A 79 11.420 -0.590 -7.212 1.00 0.00 N ATOM 1268 CA LYS A 79 12.308 -0.841 -6.038 1.00 0.00 C ATOM 1269 C LYS A 79 11.513 -1.392 -4.847 1.00 0.00 C ATOM 1270 O LYS A 79 12.043 -1.545 -3.764 1.00 0.00 O ATOM 1271 CB LYS A 79 12.974 0.474 -5.633 1.00 0.00 C ATOM 1272 CG LYS A 79 13.798 1.009 -6.805 1.00 0.00 C ATOM 1273 CD LYS A 79 14.549 2.267 -6.370 1.00 0.00 C ATOM 1274 CE LYS A 79 13.542 3.365 -6.015 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.365 3.416 -4.536 1.00 0.00 N ATOM 0 H LYS A 79 11.063 0.363 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 79 13.057 -1.581 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.217 1.203 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.615 0.318 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.504 0.250 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.146 1.236 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.182 2.047 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.206 2.606 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.893 4.329 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.586 3.167 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.656 4.138 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.044 2.488 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.271 3.657 -4.086 1.00 0.00 H new ATOM 1289 N MET A 80 10.255 -1.690 -5.022 1.00 0.00 N ATOM 1290 CA MET A 80 9.465 -2.226 -3.872 1.00 0.00 C ATOM 1291 C MET A 80 9.859 -3.685 -3.623 1.00 0.00 C ATOM 1292 O MET A 80 9.666 -4.542 -4.463 1.00 0.00 O ATOM 1293 CB MET A 80 7.966 -2.142 -4.189 1.00 0.00 C ATOM 1294 CG MET A 80 7.144 -2.448 -2.930 1.00 0.00 C ATOM 1295 SD MET A 80 5.591 -1.517 -2.984 1.00 0.00 S ATOM 1296 CE MET A 80 4.486 -2.866 -2.507 1.00 0.00 C ATOM 0 H MET A 80 9.743 -1.588 -5.898 1.00 0.00 H new ATOM 0 HA MET A 80 9.674 -1.635 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.720 -1.147 -4.561 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.713 -2.849 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.938 -3.517 -2.868 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.711 -2.180 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.528 -2.456 -2.186 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.330 -3.527 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.932 -3.429 -1.687 1.00 0.00 H new ATOM 1306 N ALA A 81 10.417 -3.968 -2.473 1.00 0.00 N ATOM 1307 CA ALA A 81 10.836 -5.365 -2.161 1.00 0.00 C ATOM 1308 C ALA A 81 9.950 -5.934 -1.050 1.00 0.00 C ATOM 1309 O ALA A 81 10.381 -6.742 -0.252 1.00 0.00 O ATOM 1310 CB ALA A 81 12.290 -5.362 -1.692 1.00 0.00 C ATOM 0 H ALA A 81 10.600 -3.288 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 81 10.736 -5.980 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.600 -6.381 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.926 -4.958 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.383 -4.745 -0.798 1.00 0.00 H new ATOM 1316 N PHE A 82 8.720 -5.518 -0.993 1.00 0.00 N ATOM 1317 CA PHE A 82 7.805 -6.028 0.068 1.00 0.00 C ATOM 1318 C PHE A 82 7.179 -7.350 -0.385 1.00 0.00 C ATOM 1319 O PHE A 82 6.684 -7.467 -1.488 1.00 0.00 O ATOM 1320 CB PHE A 82 6.698 -5.001 0.312 1.00 0.00 C ATOM 1321 CG PHE A 82 5.771 -5.489 1.400 1.00 0.00 C ATOM 1322 CD1 PHE A 82 6.128 -5.344 2.745 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.548 -6.081 1.060 1.00 0.00 C ATOM 1324 CE1 PHE A 82 5.264 -5.793 3.751 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.684 -6.529 2.068 1.00 0.00 C ATOM 1326 CZ PHE A 82 4.041 -6.384 3.412 1.00 0.00 C ATOM 0 H PHE A 82 8.304 -4.844 -1.636 1.00 0.00 H new ATOM 0 HA PHE A 82 8.368 -6.191 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.135 -4.044 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.137 -4.834 -0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.070 -4.886 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.271 -6.192 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.541 -5.683 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.741 -6.987 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.374 -6.728 4.188 1.00 0.00 H new ATOM 1336 N GLY A 83 7.196 -8.345 0.462 1.00 0.00 N ATOM 1337 CA GLY A 83 6.598 -9.655 0.081 1.00 0.00 C ATOM 1338 C GLY A 83 5.088 -9.604 0.313 1.00 0.00 C ATOM 1339 O GLY A 83 4.561 -8.621 0.794 1.00 0.00 O ATOM 0 H GLY A 83 7.598 -8.306 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.810 -9.875 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.042 -10.457 0.671 1.00 0.00 H new ATOM 1343 N GLY A 84 4.385 -10.647 -0.024 1.00 0.00 N ATOM 1344 CA GLY A 84 2.909 -10.637 0.180 1.00 0.00 C ATOM 1345 C GLY A 84 2.561 -11.324 1.502 1.00 0.00 C ATOM 1346 O GLY A 84 3.380 -11.993 2.100 1.00 0.00 O ATOM 0 H GLY A 84 4.765 -11.502 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.541 -9.611 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.415 -11.148 -0.646 1.00 0.00 H new ATOM 1350 N LEU A 85 1.347 -11.165 1.960 1.00 0.00 N ATOM 1351 CA LEU A 85 0.941 -11.811 3.241 1.00 0.00 C ATOM 1352 C LEU A 85 0.014 -12.992 2.944 1.00 0.00 C ATOM 1353 O LEU A 85 -1.000 -12.849 2.290 1.00 0.00 O ATOM 1354 CB LEU A 85 0.204 -10.789 4.109 1.00 0.00 C ATOM 1355 CG LEU A 85 1.084 -9.553 4.297 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.378 -8.557 5.217 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.416 -9.970 4.925 1.00 0.00 C ATOM 0 H LEU A 85 0.620 -10.616 1.502 1.00 0.00 H new ATOM 0 HA LEU A 85 1.825 -12.169 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.739 -10.509 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.039 -11.226 5.077 1.00 0.00 H new ATOM 0 HG LEU A 85 1.266 -9.086 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.006 -7.676 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.572 -8.261 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.196 -9.023 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.046 -9.091 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.232 -10.437 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.921 -10.680 4.270 1.00 0.00 H new ATOM 1369 N LYS A 86 0.355 -14.158 3.417 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.501 -15.350 3.162 1.00 0.00 C ATOM 1371 C LYS A 86 -1.866 -15.180 3.840 1.00 0.00 C ATOM 1372 O LYS A 86 -2.882 -15.575 3.308 1.00 0.00 O ATOM 1373 CB LYS A 86 0.189 -16.599 3.717 1.00 0.00 C ATOM 1374 CG LYS A 86 -0.576 -17.846 3.269 1.00 0.00 C ATOM 1375 CD LYS A 86 -0.084 -19.061 4.058 1.00 0.00 C ATOM 1376 CE LYS A 86 1.361 -19.386 3.664 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.479 -20.841 3.369 1.00 0.00 N ATOM 0 H LYS A 86 1.192 -14.337 3.971 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.650 -15.455 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.219 -16.645 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.226 -16.554 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.645 -17.705 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.431 -18.010 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.142 -18.859 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.726 -19.919 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.651 -18.802 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.040 -19.111 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.459 -21.063 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.218 -21.389 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.842 -21.089 2.585 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.897 -14.608 5.016 1.00 0.00 N ATOM 1392 CA LYS A 87 -3.201 -14.438 5.720 1.00 0.00 C ATOM 1393 C LYS A 87 -3.891 -13.157 5.257 1.00 0.00 C ATOM 1394 O LYS A 87 -3.318 -12.086 5.267 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.966 -14.368 7.229 1.00 0.00 C ATOM 1396 CG LYS A 87 -2.424 -15.707 7.724 1.00 0.00 C ATOM 1397 CD LYS A 87 -2.360 -15.690 9.251 1.00 0.00 C ATOM 1398 CE LYS A 87 -1.705 -16.979 9.752 1.00 0.00 C ATOM 1399 NZ LYS A 87 -0.361 -16.666 10.313 1.00 0.00 N ATOM 0 H LYS A 87 -1.081 -14.254 5.516 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.838 -15.291 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.261 -13.570 7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.898 -14.129 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.065 -16.520 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.433 -15.888 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.791 -14.825 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.363 -15.595 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.330 -17.445 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.612 -17.694 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.085 -17.541 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.233 -16.240 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.462 -15.998 11.104 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.127 -13.266 4.856 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.881 -12.067 4.393 1.00 0.00 C ATOM 1415 C GLU A 88 -6.345 -11.239 5.596 1.00 0.00 C ATOM 1416 O GLU A 88 -6.443 -10.030 5.527 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.098 -12.513 3.583 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.635 -13.225 2.311 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.851 -13.612 1.468 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.958 -13.475 1.963 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.655 -14.038 0.342 1.00 0.00 O ATOM 0 H GLU A 88 -5.651 -14.141 4.829 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.228 -11.455 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.720 -13.180 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.712 -11.650 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.975 -12.574 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.061 -14.115 2.569 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.652 -11.880 6.694 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.133 -11.124 7.887 1.00 0.00 C ATOM 1430 C LYS A 89 -6.099 -10.072 8.294 1.00 0.00 C ATOM 1431 O LYS A 89 -6.420 -8.914 8.473 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.351 -12.096 9.048 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.471 -13.076 8.690 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.768 -13.973 9.893 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.799 -15.033 9.496 1.00 0.00 C ATOM 1436 NZ LYS A 89 -11.172 -14.471 9.645 1.00 0.00 N ATOM 0 H LYS A 89 -6.591 -12.891 6.815 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.071 -10.626 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.430 -12.640 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.610 -11.546 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.368 -12.529 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.177 -13.683 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.852 -14.452 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.146 -13.375 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.634 -15.349 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.687 -15.918 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.869 -15.242 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.248 -13.978 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.358 -13.800 8.873 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.860 -10.458 8.429 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.820 -9.466 8.810 1.00 0.00 C ATOM 1452 C ASP A 90 -3.721 -8.410 7.710 1.00 0.00 C ATOM 1453 O ASP A 90 -3.559 -7.235 7.968 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.476 -10.178 8.962 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.534 -11.130 10.159 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.475 -11.026 10.927 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.637 -11.947 10.285 1.00 0.00 O ATOM 0 H ASP A 90 -4.526 -11.412 8.293 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.084 -8.990 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.242 -10.733 8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.680 -9.447 9.103 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.823 -8.835 6.482 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.743 -7.882 5.341 1.00 0.00 C ATOM 1464 C ARG A 91 -4.858 -6.840 5.452 1.00 0.00 C ATOM 1465 O ARG A 91 -4.660 -5.672 5.184 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.906 -8.665 4.040 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.751 -7.724 2.846 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.917 -8.525 1.554 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.336 -8.956 1.415 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.647 -9.921 0.592 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.715 -10.507 -0.109 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -6.890 -10.300 0.471 1.00 0.00 N ATOM 0 H ARG A 91 -3.960 -9.811 6.218 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.780 -7.371 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.162 -9.460 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.885 -9.143 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.495 -6.929 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.772 -7.245 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.625 -7.918 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.261 -9.395 1.566 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.064 -8.498 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.743 -10.211 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.958 -11.261 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.618 -9.842 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.133 -11.054 -0.172 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.036 -7.257 5.831 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.170 -6.293 5.942 1.00 0.00 C ATOM 1488 C ASN A 92 -6.815 -5.167 6.918 1.00 0.00 C ATOM 1489 O ASN A 92 -7.075 -4.010 6.660 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.411 -7.028 6.451 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.618 -6.089 6.404 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -10.051 -5.584 7.420 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -10.185 -5.834 5.256 1.00 0.00 N ATOM 0 H ASN A 92 -6.263 -8.223 6.069 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.368 -5.864 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.600 -7.910 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.247 -7.376 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.991 -5.211 5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.822 -6.258 4.402 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.227 -5.494 8.037 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.867 -4.435 9.019 1.00 0.00 C ATOM 1502 C ASP A 93 -4.855 -3.468 8.401 1.00 0.00 C ATOM 1503 O ASP A 93 -4.915 -2.274 8.619 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.265 -5.081 10.268 1.00 0.00 C ATOM 1505 CG ASP A 93 -4.948 -3.998 11.300 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -4.886 -2.841 10.915 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -4.764 -4.344 12.456 1.00 0.00 O ATOM 0 H ASP A 93 -5.982 -6.445 8.312 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.765 -3.881 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.963 -5.805 10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.358 -5.626 10.007 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.920 -3.970 7.643 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.904 -3.071 7.028 1.00 0.00 C ATOM 1514 C LEU A 94 -3.589 -2.026 6.143 1.00 0.00 C ATOM 1515 O LEU A 94 -3.272 -0.854 6.200 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.939 -3.902 6.184 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.857 -2.992 5.608 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.046 -2.379 6.748 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.068 -3.813 4.714 1.00 0.00 C ATOM 0 H LEU A 94 -3.816 -4.961 7.423 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.356 -2.559 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.486 -4.684 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.479 -4.399 5.378 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.322 -2.197 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.727 -1.729 6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.705 -1.796 7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.420 -3.173 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.842 -3.167 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.532 -4.606 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.509 -4.254 3.901 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.525 -2.431 5.328 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.214 -1.439 4.455 1.00 0.00 C ATOM 1533 C ILE A 95 -6.008 -0.474 5.336 1.00 0.00 C ATOM 1534 O ILE A 95 -6.071 0.712 5.081 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.160 -2.166 3.496 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.374 -3.210 2.699 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.781 -1.156 2.527 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.339 -4.022 1.832 1.00 0.00 C ATOM 0 H ILE A 95 -4.840 -3.396 5.229 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.479 -0.884 3.872 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.948 -2.657 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.629 -2.720 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.834 -3.870 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.455 -1.674 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.339 -0.408 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.992 -0.666 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.780 -4.766 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.067 -4.524 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.859 -3.355 1.144 1.00 0.00 H new ATOM 1550 N THR A 96 -6.614 -0.983 6.375 1.00 0.00 N ATOM 1551 CA THR A 96 -7.406 -0.115 7.286 1.00 0.00 C ATOM 1552 C THR A 96 -6.505 0.979 7.872 1.00 0.00 C ATOM 1553 O THR A 96 -6.910 2.115 8.013 1.00 0.00 O ATOM 1554 CB THR A 96 -7.981 -0.964 8.422 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.671 -2.078 7.874 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.952 -0.123 9.253 1.00 0.00 C ATOM 0 H THR A 96 -6.593 -1.970 6.631 1.00 0.00 H new ATOM 0 HA THR A 96 -8.219 0.349 6.727 1.00 0.00 H new ATOM 0 HB THR A 96 -7.169 -1.313 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.025 -2.768 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.360 -0.730 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.424 0.733 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.765 0.228 8.617 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.288 0.654 8.218 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.389 1.695 8.792 1.00 0.00 C ATOM 1566 C TYR A 97 -4.229 2.827 7.774 1.00 0.00 C ATOM 1567 O TYR A 97 -4.397 3.989 8.093 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.024 1.078 9.107 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.144 2.115 9.766 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.279 2.381 11.133 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.193 2.808 9.008 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.462 3.340 11.743 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.377 3.768 9.618 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.512 4.034 10.986 1.00 0.00 C ATOM 1575 OH TYR A 97 0.293 4.981 11.587 1.00 0.00 O ATOM 0 H TYR A 97 -4.881 -0.277 8.129 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.818 2.090 9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.145 0.217 9.764 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.556 0.717 8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.013 1.847 11.717 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.089 2.602 7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.565 3.544 12.798 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.357 4.303 9.034 1.00 0.00 H new ATOM 0 HH TYR A 97 0.898 5.367 10.920 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.938 2.499 6.544 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.805 3.558 5.507 1.00 0.00 C ATOM 1587 C LEU A 98 -5.186 4.149 5.244 1.00 0.00 C ATOM 1588 O LEU A 98 -5.329 5.314 4.927 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.247 2.958 4.214 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.822 2.453 4.446 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.279 1.858 3.147 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.935 3.623 4.873 1.00 0.00 C ATOM 0 H LEU A 98 -3.787 1.546 6.215 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.122 4.334 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.883 2.138 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.252 3.708 3.423 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.826 1.691 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.263 1.497 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.913 1.029 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.273 2.623 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.082 3.267 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.930 4.381 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.323 4.056 5.795 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.205 3.345 5.373 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.584 3.844 5.131 1.00 0.00 C ATOM 1606 C LYS A 99 -7.842 5.049 6.039 1.00 0.00 C ATOM 1607 O LYS A 99 -8.392 6.048 5.622 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.583 2.734 5.473 1.00 0.00 C ATOM 1609 CG LYS A 99 -9.988 3.148 5.041 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.999 2.116 5.545 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.411 2.540 5.135 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.156 3.011 6.338 1.00 0.00 N ATOM 0 H LYS A 99 -6.140 2.362 5.636 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.698 4.135 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.297 1.809 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.566 2.535 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.228 4.133 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.039 3.223 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.769 1.134 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.935 2.028 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.362 3.334 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.935 1.702 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.116 3.300 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.213 2.241 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.659 3.822 6.759 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.442 4.959 7.277 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.654 6.097 8.216 1.00 0.00 C ATOM 1628 C LYS A 100 -6.902 7.322 7.705 1.00 0.00 C ATOM 1629 O LYS A 100 -7.406 8.428 7.711 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.103 5.719 9.589 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.908 4.558 10.166 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.374 4.228 11.557 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.191 3.087 12.165 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.182 3.207 13.651 1.00 0.00 N ATOM 0 H LYS A 100 -6.977 4.146 7.680 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.719 6.319 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.053 5.440 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.152 6.577 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.964 4.822 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.831 3.686 9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.324 3.944 11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.429 5.109 12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.215 3.120 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.774 2.126 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.737 2.431 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.203 3.155 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.600 4.118 13.928 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.693 7.126 7.265 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.885 8.270 6.752 1.00 0.00 C ATOM 1650 C ALA A 101 -5.598 8.913 5.560 1.00 0.00 C ATOM 1651 O ALA A 101 -5.468 10.097 5.316 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.511 7.762 6.310 1.00 0.00 C ATOM 0 H ALA A 101 -5.225 6.220 7.237 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.765 9.011 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.918 8.596 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.001 7.307 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.634 7.020 5.521 1.00 0.00 H new ATOM 1658 N THR A 102 -6.347 8.148 4.816 1.00 0.00 N ATOM 1659 CA THR A 102 -7.060 8.725 3.640 1.00 0.00 C ATOM 1660 C THR A 102 -8.049 9.792 4.119 1.00 0.00 C ATOM 1661 O THR A 102 -8.304 10.765 3.438 1.00 0.00 O ATOM 1662 CB THR A 102 -7.801 7.610 2.889 1.00 0.00 C ATOM 1663 OG1 THR A 102 -7.656 7.811 1.491 1.00 0.00 O ATOM 1664 CG2 THR A 102 -9.289 7.614 3.253 1.00 0.00 C ATOM 0 H THR A 102 -6.497 7.151 4.970 1.00 0.00 H new ATOM 0 HA THR A 102 -6.341 9.186 2.963 1.00 0.00 H new ATOM 0 HB THR A 102 -7.374 6.648 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.535 7.763 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.798 6.817 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.402 7.453 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.727 8.574 2.982 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.612 9.615 5.284 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.584 10.620 5.800 1.00 0.00 C ATOM 1674 C GLU A 103 -8.973 12.019 5.702 1.00 0.00 C ATOM 1675 O GLU A 103 -9.292 12.903 6.474 1.00 0.00 O ATOM 1676 CB GLU A 103 -9.910 10.309 7.263 1.00 0.00 C ATOM 1677 CG GLU A 103 -10.572 8.932 7.357 1.00 0.00 C ATOM 1678 CD GLU A 103 -10.964 8.651 8.808 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -10.568 9.422 9.668 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -11.653 7.671 9.036 1.00 0.00 O ATOM 0 H GLU A 103 -8.441 8.820 5.899 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.497 10.580 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.999 10.328 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.574 11.072 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.454 8.897 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.888 8.163 6.999 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.448 0.602 -1.802 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.851 2.197 -4.726 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.125 0.151 -1.371 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.036 -0.923 1.149 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.776 1.017 -2.260 1.00 0.00 C HETATM 1693 NA HEC A 201 3.845 1.071 -2.819 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.766 1.739 -4.022 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.399 1.869 -4.466 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.630 1.362 -3.475 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.531 0.816 -2.498 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.163 1.558 -3.304 1.00 0.00 C HETATM 1699 CAA HEC A 201 1.952 2.188 -5.851 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.327 3.612 -6.266 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.055 4.409 -6.562 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.978 5.547 -6.130 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.179 3.866 -7.213 1.00 0.00 O HETATM 1704 NB HEC A 201 4.328 -0.224 -0.421 1.00 0.00 N HETATM 1705 C1B HEC A 201 2.958 -0.342 -0.398 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.495 -1.036 0.779 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.600 -1.227 1.563 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.726 -0.794 0.764 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.188 -1.752 0.879 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.643 -1.446 3.056 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.405 -2.120 3.652 1.00 0.00 C HETATM 1712 NC HEC A 201 7.053 0.140 -0.782 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.124 -0.501 0.431 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.490 -0.701 0.849 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.265 -0.073 -0.061 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.371 0.384 -1.107 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.960 -1.698 1.848 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.695 0.313 0.141 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.662 -0.857 -0.045 1.00 0.00 C HETATM 1720 ND HEC A 201 6.564 1.429 -3.181 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.938 1.502 -3.230 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.392 2.141 -4.438 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.285 2.560 -5.087 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.158 2.058 -4.337 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.757 2.039 -5.022 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.246 3.552 -6.197 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.271 2.881 -7.574 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.114 3.408 -8.423 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.382 4.109 -9.384 1.00 0.00 O HETATM 1730 O2D HEC A 201 4.978 3.100 -8.097 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.488 2.417 -4.307 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 9.978 0.996 -5.250 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.806 2.629 -5.937 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.481 -1.505 2.808 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.703 -2.702 1.509 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.041 -1.619 1.960 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.374 -1.048 0.707 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.148 -2.543 0.130 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.087 -2.188 1.873 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.052 2.621 -3.196 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.360 1.169 -4.178 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.174 1.027 -2.414 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.220 3.082 -8.070 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.191 1.799 -7.464 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.427 -1.642 0.674 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.566 -1.251 -1.057 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.684 -0.513 0.115 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.526 -1.507 3.454 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.272 -3.102 3.199 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.534 -2.232 4.728 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.895 4.096 -5.472 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.968 3.588 -7.148 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.346 4.160 -6.107 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.097 4.227 -6.108 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.399 1.479 -6.548 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 0.871 2.064 -5.920 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.848 1.143 -2.414 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.228 -1.403 2.109 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.054 0.001 -1.236 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.659 2.711 -5.668 1.00 0.00 H new