USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 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 86 LYS NZ :NH3+ -140:sc= -0.691 (180deg=-1.46) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -162:sc= -0.107 (180deg=-0.282) USER MOD Set 2.1: A 70 ASN :FLIP amide:sc= 0.943 F(o=-4,f=2.2) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 67 HIS : no HE2:sc= -0.841 K(o=-2.6,f=-22!) USER MOD Set 3.2: A 80 MET CE :methyl 163:sc= -1.81 (180deg=0) USER MOD Set 4.1: A 63 ASN : amide:sc= -1.58 K(o=-6.2,f=-7.8!) USER MOD Set 4.2: A 74 TYR OH : rot -76:sc= -4.66! USER MOD Set 5.1: A 40 SER OG : rot -109:sc= -2.65! USER MOD Set 5.2: A 52 ASN : amide:sc= -2.07 K(o=-4.7,f=-14!) USER MOD Set 6.1: A 19 THR OG1 : rot -75:sc= 1.3 USER MOD Set 6.2: A 31 ASN :FLIP amide:sc= 0.473 F(o=0.72,f=1.8) USER MOD Single : A 2 SER OG : rot 73:sc= 0.456 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.0109 (180deg=-0.284) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0649 (180deg=-0.637) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -154:sc= -0.137 (180deg=-0.873) USER MOD Single : A -5 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -25:sc= 0.297 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,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= -0.754 K(o=-0.75,f=-3.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=-0.043) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 42 GLN : amide:sc= -2.23! C(o=-2.2!,f=-11!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 49 THR OG1 : rot 154:sc= -0.625 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -1.21 (180deg=-1.41!) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.192 (180deg=-1.19) USER MOD Single : A 56 ASN : amide:sc= -3.15 K(o=-3.1,f=-5.1!) USER MOD Single : A 62 ASN : amide:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 64 MET CE :methyl -163:sc= -1.32 (180deg=-1.73) USER MOD Single : A 65 SER OG : rot 75:sc= -1.28 USER MOD Single : A 69 THR OG1 : rot -110:sc= -2.35! USER MOD Single : A 78 THR OG1 : rot -81:sc= 1.11 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot 173:sc= -0.915 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0.868 (180deg=0.66) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -25:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -17.551 -2.301 1.748 1.00 0.00 N ATOM 2 CA THR A -5 -16.698 -3.130 2.647 1.00 0.00 C ATOM 3 C THR A -5 -16.072 -4.272 1.844 1.00 0.00 C ATOM 4 O THR A -5 -16.580 -5.376 1.816 1.00 0.00 O ATOM 5 CB THR A -5 -17.557 -3.710 3.774 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.436 -4.690 3.240 1.00 0.00 O ATOM 7 CG2 THR A -5 -18.371 -2.591 4.425 1.00 0.00 C ATOM 0 H1 THR A -5 -17.616 -1.334 2.125 1.00 0.00 H new ATOM 0 H2 THR A -5 -17.130 -2.274 0.797 1.00 0.00 H new ATOM 0 H3 THR A -5 -18.503 -2.716 1.693 1.00 0.00 H new ATOM 0 HA THR A -5 -15.910 -2.510 3.074 1.00 0.00 H new ATOM 0 HB THR A -5 -16.913 -4.169 4.523 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.913 -5.437 2.881 1.00 0.00 H new ATOM 0 HG21 THR A -5 -18.982 -3.005 5.227 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.695 -1.840 4.834 1.00 0.00 H new ATOM 0 HG23 THR A -5 -19.017 -2.129 3.678 1.00 0.00 H new ATOM 17 N GLU A -4 -14.972 -4.016 1.189 1.00 0.00 N ATOM 18 CA GLU A -4 -14.315 -5.088 0.389 1.00 0.00 C ATOM 19 C GLU A -4 -13.896 -6.231 1.316 1.00 0.00 C ATOM 20 O GLU A -4 -13.880 -7.381 0.925 1.00 0.00 O ATOM 21 CB GLU A -4 -13.078 -4.517 -0.312 1.00 0.00 C ATOM 22 CG GLU A -4 -13.509 -3.465 -1.338 1.00 0.00 C ATOM 23 CD GLU A -4 -14.375 -4.122 -2.416 1.00 0.00 C ATOM 24 OE1 GLU A -4 -14.321 -5.335 -2.534 1.00 0.00 O ATOM 25 OE2 GLU A -4 -15.077 -3.400 -3.104 1.00 0.00 O ATOM 0 H GLU A -4 -14.501 -3.112 1.173 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.013 -5.464 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -12.406 -4.071 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -12.526 -5.317 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -14.067 -2.669 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -12.632 -3.005 -1.793 1.00 0.00 H new ATOM 32 N PHE A -3 -13.556 -5.921 2.540 1.00 0.00 N ATOM 33 CA PHE A -3 -13.135 -6.984 3.496 1.00 0.00 C ATOM 34 C PHE A -3 -14.024 -6.943 4.743 1.00 0.00 C ATOM 35 O PHE A -3 -14.820 -6.043 4.924 1.00 0.00 O ATOM 36 CB PHE A -3 -11.669 -6.771 3.878 1.00 0.00 C ATOM 37 CG PHE A -3 -11.464 -5.373 4.408 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.165 -4.326 3.528 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.558 -5.126 5.780 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.960 -3.031 4.022 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.356 -3.832 6.275 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.057 -2.785 5.397 1.00 0.00 C ATOM 0 H PHE A -3 -13.552 -4.974 2.918 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.241 -7.962 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.373 -7.500 4.632 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.032 -6.935 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.092 -4.517 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.787 -5.934 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.728 -2.224 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.431 -3.642 7.336 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.901 -1.787 5.780 1.00 0.00 H new ATOM 52 N LYS A -2 -13.915 -7.932 5.591 1.00 0.00 N ATOM 53 CA LYS A -2 -14.773 -7.981 6.813 1.00 0.00 C ATOM 54 C LYS A -2 -14.732 -6.652 7.571 1.00 0.00 C ATOM 55 O LYS A -2 -15.755 -6.042 7.809 1.00 0.00 O ATOM 56 CB LYS A -2 -14.268 -9.097 7.731 1.00 0.00 C ATOM 57 CG LYS A -2 -15.142 -9.162 8.985 1.00 0.00 C ATOM 58 CD LYS A -2 -14.711 -10.351 9.848 1.00 0.00 C ATOM 59 CE LYS A -2 -13.312 -10.094 10.414 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.095 -10.955 11.611 1.00 0.00 N ATOM 0 H LYS A -2 -13.266 -8.712 5.490 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.802 -8.171 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.294 -10.053 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -13.230 -8.913 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -15.052 -8.236 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.191 -9.263 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -15.422 -10.500 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -14.712 -11.264 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.557 -10.308 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.205 -9.043 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.145 -10.781 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.808 -10.730 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.181 -11.955 11.339 1.00 0.00 H new ATOM 74 N ALA A -1 -13.570 -6.201 7.958 1.00 0.00 N ATOM 75 CA ALA A -1 -13.483 -4.916 8.710 1.00 0.00 C ATOM 76 C ALA A -1 -12.142 -4.846 9.445 1.00 0.00 C ATOM 77 O ALA A -1 -12.019 -4.213 10.475 1.00 0.00 O ATOM 78 CB ALA A -1 -14.620 -4.848 9.728 1.00 0.00 C ATOM 0 H ALA A -1 -12.678 -6.666 7.787 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.562 -4.081 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.559 -3.910 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.577 -4.902 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.536 -5.683 10.423 1.00 0.00 H new ATOM 84 N GLY A 1 -11.141 -5.496 8.921 1.00 0.00 N ATOM 85 CA GLY A 1 -9.805 -5.478 9.579 1.00 0.00 C ATOM 86 C GLY A 1 -9.521 -4.078 10.117 1.00 0.00 C ATOM 87 O GLY A 1 -9.100 -3.201 9.395 1.00 0.00 O ATOM 0 H GLY A 1 -11.191 -6.042 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.778 -6.204 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.033 -5.769 8.867 1.00 0.00 H new ATOM 91 N SER A 2 -9.752 -3.862 11.380 1.00 0.00 N ATOM 92 CA SER A 2 -9.500 -2.518 11.974 1.00 0.00 C ATOM 93 C SER A 2 -8.647 -2.676 13.230 1.00 0.00 C ATOM 94 O SER A 2 -8.807 -1.956 14.195 1.00 0.00 O ATOM 95 CB SER A 2 -10.834 -1.864 12.341 1.00 0.00 C ATOM 96 OG SER A 2 -11.331 -2.454 13.534 1.00 0.00 O ATOM 0 H SER A 2 -10.107 -4.562 12.032 1.00 0.00 H new ATOM 0 HA SER A 2 -8.977 -1.891 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.701 -0.791 12.480 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.551 -1.994 11.531 1.00 0.00 H new ATOM 0 HG SER A 2 -10.796 -2.150 14.297 1.00 0.00 H new ATOM 102 N ALA A 3 -7.752 -3.624 13.233 1.00 0.00 N ATOM 103 CA ALA A 3 -6.904 -3.837 14.436 1.00 0.00 C ATOM 104 C ALA A 3 -5.533 -3.188 14.240 1.00 0.00 C ATOM 105 O ALA A 3 -5.025 -3.095 13.139 1.00 0.00 O ATOM 106 CB ALA A 3 -6.727 -5.338 14.678 1.00 0.00 C ATOM 0 H ALA A 3 -7.572 -4.259 12.455 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.392 -3.380 15.297 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.105 -5.494 15.560 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.702 -5.799 14.836 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.247 -5.792 13.811 1.00 0.00 H new ATOM 112 N LYS A 4 -4.934 -2.740 15.309 1.00 0.00 N ATOM 113 CA LYS A 4 -3.596 -2.095 15.215 1.00 0.00 C ATOM 114 C LYS A 4 -2.606 -3.052 14.547 1.00 0.00 C ATOM 115 O LYS A 4 -1.626 -2.633 13.965 1.00 0.00 O ATOM 116 CB LYS A 4 -3.100 -1.746 16.618 1.00 0.00 C ATOM 117 CG LYS A 4 -1.790 -0.965 16.518 1.00 0.00 C ATOM 118 CD LYS A 4 -1.258 -0.673 17.923 1.00 0.00 C ATOM 119 CE LYS A 4 -0.028 0.233 17.826 1.00 0.00 C ATOM 120 NZ LYS A 4 -0.452 1.607 17.438 1.00 0.00 N ATOM 0 H LYS A 4 -5.319 -2.794 16.252 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.675 -1.186 14.619 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.849 -1.154 17.143 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.949 -2.656 17.199 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.056 -1.538 15.952 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.951 -0.032 15.978 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.030 -0.192 18.523 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.998 -1.605 18.426 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.494 0.259 18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.672 -0.164 17.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.314 2.279 17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.664 1.630 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.302 1.873 17.975 1.00 0.00 H new ATOM 134 N LYS A 5 -2.841 -4.333 14.636 1.00 0.00 N ATOM 135 CA LYS A 5 -1.894 -5.299 14.013 1.00 0.00 C ATOM 136 C LYS A 5 -1.538 -4.819 12.606 1.00 0.00 C ATOM 137 O LYS A 5 -0.380 -4.713 12.255 1.00 0.00 O ATOM 138 CB LYS A 5 -2.550 -6.678 13.932 1.00 0.00 C ATOM 139 CG LYS A 5 -2.818 -7.202 15.344 1.00 0.00 C ATOM 140 CD LYS A 5 -3.366 -8.629 15.265 1.00 0.00 C ATOM 141 CE LYS A 5 -3.747 -9.107 16.667 1.00 0.00 C ATOM 142 NZ LYS A 5 -2.563 -9.007 17.565 1.00 0.00 N ATOM 0 H LYS A 5 -3.642 -4.750 15.110 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.989 -5.365 14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.484 -6.616 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.902 -7.369 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.899 -7.186 15.929 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.532 -6.555 15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.236 -8.660 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.618 -9.294 14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.566 -8.503 17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.101 -10.137 16.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.715 -9.597 18.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.716 -9.336 17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.430 -8.017 17.855 1.00 0.00 H new ATOM 156 N GLY A 6 -2.516 -4.510 11.798 1.00 0.00 N ATOM 157 CA GLY A 6 -2.209 -4.020 10.428 1.00 0.00 C ATOM 158 C GLY A 6 -1.392 -2.732 10.530 1.00 0.00 C ATOM 159 O GLY A 6 -0.525 -2.467 9.720 1.00 0.00 O ATOM 0 H GLY A 6 -3.508 -4.576 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.652 -4.776 9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.132 -3.837 9.878 1.00 0.00 H new ATOM 163 N ALA A 7 -1.663 -1.926 11.522 1.00 0.00 N ATOM 164 CA ALA A 7 -0.905 -0.652 11.677 1.00 0.00 C ATOM 165 C ALA A 7 0.569 -0.964 11.933 1.00 0.00 C ATOM 166 O ALA A 7 1.447 -0.429 11.288 1.00 0.00 O ATOM 167 CB ALA A 7 -1.469 0.136 12.859 1.00 0.00 C ATOM 0 H ALA A 7 -2.376 -2.095 12.231 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.000 -0.061 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.915 1.068 12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.521 0.359 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.374 -0.456 13.769 1.00 0.00 H new ATOM 173 N THR A 8 0.847 -1.833 12.864 1.00 0.00 N ATOM 174 CA THR A 8 2.257 -2.183 13.153 1.00 0.00 C ATOM 175 C THR A 8 2.879 -2.793 11.898 1.00 0.00 C ATOM 176 O THR A 8 4.017 -2.531 11.565 1.00 0.00 O ATOM 177 CB THR A 8 2.297 -3.197 14.297 1.00 0.00 C ATOM 178 OG1 THR A 8 1.524 -2.709 15.386 1.00 0.00 O ATOM 179 CG2 THR A 8 3.738 -3.399 14.748 1.00 0.00 C ATOM 0 H THR A 8 0.154 -2.315 13.436 1.00 0.00 H new ATOM 0 HA THR A 8 2.816 -1.293 13.442 1.00 0.00 H new ATOM 0 HB THR A 8 1.888 -4.148 13.955 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.547 -3.358 16.120 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.766 -4.122 15.563 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.332 -3.771 13.913 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.149 -2.449 15.091 1.00 0.00 H new ATOM 187 N LEU A 9 2.131 -3.596 11.189 1.00 0.00 N ATOM 188 CA LEU A 9 2.675 -4.206 9.946 1.00 0.00 C ATOM 189 C LEU A 9 3.194 -3.080 9.059 1.00 0.00 C ATOM 190 O LEU A 9 4.250 -3.171 8.466 1.00 0.00 O ATOM 191 CB LEU A 9 1.558 -4.958 9.217 1.00 0.00 C ATOM 192 CG LEU A 9 2.137 -5.701 8.009 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.617 -7.084 8.448 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.063 -5.857 6.930 1.00 0.00 C ATOM 0 H LEU A 9 1.171 -3.854 11.417 1.00 0.00 H new ATOM 0 HA LEU A 9 3.477 -4.905 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.080 -5.665 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.788 -4.258 8.891 1.00 0.00 H new ATOM 0 HG LEU A 9 2.973 -5.131 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.030 -7.615 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.386 -6.976 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.778 -7.648 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.482 -6.386 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.223 -6.424 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.718 -4.872 6.615 1.00 0.00 H new ATOM 206 N PHE A 10 2.459 -2.007 8.986 1.00 0.00 N ATOM 207 CA PHE A 10 2.897 -0.850 8.164 1.00 0.00 C ATOM 208 C PHE A 10 4.224 -0.339 8.724 1.00 0.00 C ATOM 209 O PHE A 10 5.175 -0.100 8.004 1.00 0.00 O ATOM 210 CB PHE A 10 1.835 0.251 8.264 1.00 0.00 C ATOM 211 CG PHE A 10 2.170 1.382 7.324 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.805 1.305 5.975 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.840 2.512 7.805 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.115 2.357 5.107 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.146 3.564 6.936 1.00 0.00 C ATOM 216 CZ PHE A 10 2.785 3.487 5.588 1.00 0.00 C ATOM 0 H PHE A 10 1.567 -1.883 9.465 1.00 0.00 H new ATOM 0 HA PHE A 10 3.023 -1.140 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.854 -0.156 8.020 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.780 0.622 9.287 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.285 0.434 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.121 2.572 8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.837 2.297 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.662 4.437 7.307 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.023 4.300 4.918 1.00 0.00 H new ATOM 226 N LYS A 11 4.286 -0.180 10.017 1.00 0.00 N ATOM 227 CA LYS A 11 5.536 0.304 10.665 1.00 0.00 C ATOM 228 C LYS A 11 6.656 -0.720 10.468 1.00 0.00 C ATOM 229 O LYS A 11 7.806 -0.374 10.286 1.00 0.00 O ATOM 230 CB LYS A 11 5.280 0.480 12.164 1.00 0.00 C ATOM 231 CG LYS A 11 6.450 1.231 12.801 1.00 0.00 C ATOM 232 CD LYS A 11 6.219 1.354 14.308 1.00 0.00 C ATOM 233 CE LYS A 11 7.297 2.250 14.920 1.00 0.00 C ATOM 234 NZ LYS A 11 6.891 2.648 16.298 1.00 0.00 N ATOM 0 H LYS A 11 3.515 -0.367 10.659 1.00 0.00 H new ATOM 0 HA LYS A 11 5.833 1.252 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.352 1.030 12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.158 -0.494 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.383 0.702 12.608 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.546 2.221 12.355 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.231 1.772 14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.245 0.368 14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.250 1.722 14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.442 3.136 14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.624 3.257 16.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.991 3.167 16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.774 1.797 16.885 1.00 0.00 H new ATOM 248 N THR A 12 6.326 -1.981 10.534 1.00 0.00 N ATOM 249 CA THR A 12 7.366 -3.041 10.387 1.00 0.00 C ATOM 250 C THR A 12 7.926 -3.078 8.961 1.00 0.00 C ATOM 251 O THR A 12 9.096 -3.340 8.762 1.00 0.00 O ATOM 252 CB THR A 12 6.744 -4.400 10.717 1.00 0.00 C ATOM 253 OG1 THR A 12 5.762 -4.719 9.742 1.00 0.00 O ATOM 254 CG2 THR A 12 6.095 -4.348 12.100 1.00 0.00 C ATOM 0 H THR A 12 5.377 -2.325 10.684 1.00 0.00 H new ATOM 0 HA THR A 12 8.185 -2.817 11.071 1.00 0.00 H new ATOM 0 HB THR A 12 7.522 -5.164 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.414 -3.893 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.653 -5.317 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.850 -4.106 12.848 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.318 -3.584 12.109 1.00 0.00 H new ATOM 262 N ARG A 13 7.116 -2.844 7.963 1.00 0.00 N ATOM 263 CA ARG A 13 7.644 -2.900 6.569 1.00 0.00 C ATOM 264 C ARG A 13 6.841 -1.979 5.649 1.00 0.00 C ATOM 265 O ARG A 13 6.239 -2.423 4.692 1.00 0.00 O ATOM 266 CB ARG A 13 7.547 -4.336 6.042 1.00 0.00 C ATOM 267 CG ARG A 13 8.491 -5.245 6.832 1.00 0.00 C ATOM 268 CD ARG A 13 8.523 -6.631 6.186 1.00 0.00 C ATOM 269 NE ARG A 13 9.286 -7.568 7.058 1.00 0.00 N ATOM 270 CZ ARG A 13 8.728 -8.064 8.128 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.502 -7.740 8.435 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.397 -8.883 8.892 1.00 0.00 N ATOM 0 H ARG A 13 6.125 -2.619 8.050 1.00 0.00 H new ATOM 0 HA ARG A 13 8.683 -2.572 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.522 -4.697 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.804 -4.362 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.494 -4.818 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.158 -5.322 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.508 -6.999 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.987 -6.574 5.201 1.00 0.00 H new ATOM 0 HE ARG A 13 10.244 -7.822 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.979 -7.099 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.066 -8.128 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.356 -9.135 8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.961 -9.271 9.729 1.00 0.00 H new ATOM 286 N CYS A 14 6.830 -0.703 5.915 1.00 0.00 N ATOM 287 CA CYS A 14 6.067 0.221 5.029 1.00 0.00 C ATOM 288 C CYS A 14 6.348 1.675 5.416 1.00 0.00 C ATOM 289 O CYS A 14 6.613 2.510 4.574 1.00 0.00 O ATOM 290 CB CYS A 14 4.572 -0.064 5.162 1.00 0.00 C ATOM 291 SG CYS A 14 3.719 0.479 3.659 1.00 0.00 S ATOM 0 H CYS A 14 7.311 -0.263 6.699 1.00 0.00 H new ATOM 0 HA CYS A 14 6.380 0.063 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.407 -1.129 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.168 0.456 6.031 1.00 0.00 H new ATOM 296 N LEU A 15 6.287 1.987 6.679 1.00 0.00 N ATOM 297 CA LEU A 15 6.544 3.391 7.115 1.00 0.00 C ATOM 298 C LEU A 15 7.931 3.835 6.644 1.00 0.00 C ATOM 299 O LEU A 15 8.132 4.972 6.266 1.00 0.00 O ATOM 300 CB LEU A 15 6.468 3.470 8.644 1.00 0.00 C ATOM 301 CG LEU A 15 6.675 4.916 9.118 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.404 5.735 8.884 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.994 4.910 10.611 1.00 0.00 C ATOM 0 H LEU A 15 6.070 1.332 7.430 1.00 0.00 H new ATOM 0 HA LEU A 15 5.793 4.049 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.500 3.104 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.227 2.824 9.086 1.00 0.00 H new ATOM 0 HG LEU A 15 7.497 5.362 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.563 6.758 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.164 5.739 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.578 5.292 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.142 5.933 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.166 4.459 11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.902 4.333 10.787 1.00 0.00 H new ATOM 315 N GLN A 16 8.891 2.956 6.674 1.00 0.00 N ATOM 316 CA GLN A 16 10.262 3.339 6.236 1.00 0.00 C ATOM 317 C GLN A 16 10.225 3.841 4.791 1.00 0.00 C ATOM 318 O GLN A 16 10.964 4.731 4.415 1.00 0.00 O ATOM 319 CB GLN A 16 11.181 2.119 6.326 1.00 0.00 C ATOM 320 CG GLN A 16 11.312 1.688 7.787 1.00 0.00 C ATOM 321 CD GLN A 16 12.196 0.443 7.875 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.436 -0.218 6.885 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.694 0.091 9.029 1.00 0.00 N ATOM 0 H GLN A 16 8.787 1.989 6.982 1.00 0.00 H new ATOM 0 HA GLN A 16 10.638 4.132 6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.777 1.301 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.162 2.358 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.744 2.496 8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.327 1.478 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.493 0.645 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.284 -0.738 9.098 1.00 0.00 H new ATOM 332 N CYS A 17 9.383 3.273 3.973 1.00 0.00 N ATOM 333 CA CYS A 17 9.318 3.714 2.550 1.00 0.00 C ATOM 334 C CYS A 17 8.189 4.731 2.349 1.00 0.00 C ATOM 335 O CYS A 17 8.351 5.713 1.651 1.00 0.00 O ATOM 336 CB CYS A 17 9.064 2.501 1.658 1.00 0.00 C ATOM 337 SG CYS A 17 10.478 1.374 1.754 1.00 0.00 S ATOM 0 H CYS A 17 8.738 2.524 4.227 1.00 0.00 H new ATOM 0 HA CYS A 17 10.265 4.184 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.155 1.989 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.909 2.820 0.627 1.00 0.00 H new ATOM 342 N HIS A 18 7.044 4.500 2.938 1.00 0.00 N ATOM 343 CA HIS A 18 5.908 5.454 2.759 1.00 0.00 C ATOM 344 C HIS A 18 5.659 6.218 4.063 1.00 0.00 C ATOM 345 O HIS A 18 5.438 5.635 5.103 1.00 0.00 O ATOM 346 CB HIS A 18 4.650 4.667 2.378 1.00 0.00 C ATOM 347 CG HIS A 18 4.801 4.101 0.993 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.720 4.884 -0.157 1.00 0.00 N ATOM 349 CD2 HIS A 18 4.997 2.819 0.557 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.863 4.060 -1.218 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.031 2.798 -0.830 1.00 0.00 N ATOM 0 H HIS A 18 6.847 3.695 3.533 1.00 0.00 H new ATOM 0 HA HIS A 18 6.152 6.167 1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.484 3.862 3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.776 5.317 2.421 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.579 5.894 -0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.108 1.955 1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.844 4.384 -2.248 1.00 0.00 H new ATOM 359 N THR A 19 5.691 7.524 4.012 1.00 0.00 N ATOM 360 CA THR A 19 5.454 8.328 5.245 1.00 0.00 C ATOM 361 C THR A 19 3.956 8.610 5.399 1.00 0.00 C ATOM 362 O THR A 19 3.486 8.955 6.467 1.00 0.00 O ATOM 363 CB THR A 19 6.215 9.650 5.147 1.00 0.00 C ATOM 364 OG1 THR A 19 5.629 10.457 4.135 1.00 0.00 O ATOM 365 CG2 THR A 19 7.678 9.375 4.798 1.00 0.00 C ATOM 0 H THR A 19 5.871 8.068 3.168 1.00 0.00 H new ATOM 0 HA THR A 19 5.806 7.769 6.112 1.00 0.00 H new ATOM 0 HB THR A 19 6.164 10.170 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.876 10.107 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.219 10.319 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.127 8.756 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.732 8.854 3.842 1.00 0.00 H new ATOM 373 N VAL A 20 3.203 8.468 4.343 1.00 0.00 N ATOM 374 CA VAL A 20 1.736 8.728 4.425 1.00 0.00 C ATOM 375 C VAL A 20 1.480 10.189 4.807 1.00 0.00 C ATOM 376 O VAL A 20 0.358 10.656 4.778 1.00 0.00 O ATOM 377 CB VAL A 20 1.113 7.818 5.484 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.397 7.727 5.257 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.725 6.420 5.376 1.00 0.00 C ATOM 0 H VAL A 20 3.541 8.182 3.424 1.00 0.00 H new ATOM 0 HA VAL A 20 1.288 8.526 3.452 1.00 0.00 H new ATOM 0 HB VAL A 20 1.308 8.229 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.840 7.078 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.837 8.722 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.592 7.316 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.282 5.770 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.528 6.012 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.801 6.481 5.536 1.00 0.00 H new ATOM 389 N GLU A 21 2.502 10.919 5.167 1.00 0.00 N ATOM 390 CA GLU A 21 2.293 12.345 5.546 1.00 0.00 C ATOM 391 C GLU A 21 1.705 13.110 4.359 1.00 0.00 C ATOM 392 O GLU A 21 2.131 12.946 3.231 1.00 0.00 O ATOM 393 CB GLU A 21 3.632 12.968 5.947 1.00 0.00 C ATOM 394 CG GLU A 21 4.166 12.264 7.196 1.00 0.00 C ATOM 395 CD GLU A 21 5.476 12.923 7.633 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.982 13.744 6.885 1.00 0.00 O ATOM 397 OE2 GLU A 21 5.950 12.597 8.709 1.00 0.00 O ATOM 0 H GLU A 21 3.467 10.591 5.215 1.00 0.00 H new ATOM 0 HA GLU A 21 1.602 12.399 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.348 12.876 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.506 14.033 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.432 12.321 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.330 11.207 6.988 1.00 0.00 H new ATOM 404 N LYS A 22 0.729 13.941 4.599 1.00 0.00 N ATOM 405 CA LYS A 22 0.112 14.711 3.481 1.00 0.00 C ATOM 406 C LYS A 22 1.010 15.894 3.106 1.00 0.00 C ATOM 407 O LYS A 22 1.172 16.217 1.946 1.00 0.00 O ATOM 408 CB LYS A 22 -1.264 15.226 3.915 1.00 0.00 C ATOM 409 CG LYS A 22 -1.100 16.288 5.003 1.00 0.00 C ATOM 410 CD LYS A 22 -2.475 16.682 5.542 1.00 0.00 C ATOM 411 CE LYS A 22 -2.351 17.951 6.390 1.00 0.00 C ATOM 412 NZ LYS A 22 -3.016 19.084 5.689 1.00 0.00 N ATOM 0 H LYS A 22 0.331 14.121 5.521 1.00 0.00 H new ATOM 0 HA LYS A 22 0.000 14.060 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.791 15.647 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.870 14.401 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.478 15.903 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.592 17.163 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.166 16.851 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.888 15.871 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.809 17.795 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.300 18.184 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.932 19.946 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.560 19.238 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.021 18.861 5.545 1.00 0.00 H new ATOM 426 N GLY A 23 1.590 16.546 4.076 1.00 0.00 N ATOM 427 CA GLY A 23 2.469 17.711 3.769 1.00 0.00 C ATOM 428 C GLY A 23 3.935 17.277 3.791 1.00 0.00 C ATOM 429 O GLY A 23 4.819 18.031 3.434 1.00 0.00 O ATOM 0 H GLY A 23 1.494 16.323 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.217 18.120 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.304 18.504 4.499 1.00 0.00 H new ATOM 433 N GLY A 24 4.205 16.072 4.208 1.00 0.00 N ATOM 434 CA GLY A 24 5.618 15.601 4.251 1.00 0.00 C ATOM 435 C GLY A 24 6.122 15.369 2.824 1.00 0.00 C ATOM 436 O GLY A 24 5.350 15.134 1.918 1.00 0.00 O ATOM 0 H GLY A 24 3.510 15.394 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.243 16.339 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.688 14.678 4.827 1.00 0.00 H new ATOM 440 N PRO A 25 7.415 15.433 2.628 1.00 0.00 N ATOM 441 CA PRO A 25 8.039 15.222 1.290 1.00 0.00 C ATOM 442 C PRO A 25 8.040 13.748 0.885 1.00 0.00 C ATOM 443 O PRO A 25 7.375 12.929 1.486 1.00 0.00 O ATOM 444 CB PRO A 25 9.471 15.716 1.482 1.00 0.00 C ATOM 445 CG PRO A 25 9.755 15.501 2.930 1.00 0.00 C ATOM 446 CD PRO A 25 8.428 15.709 3.661 1.00 0.00 C ATOM 0 HA PRO A 25 7.497 15.742 0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.169 15.161 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.567 16.768 1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.143 14.498 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.510 16.202 3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.328 15.033 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.339 16.724 4.049 1.00 0.00 H new ATOM 454 N HIS A 26 8.789 13.402 -0.126 1.00 0.00 N ATOM 455 CA HIS A 26 8.834 11.980 -0.558 1.00 0.00 C ATOM 456 C HIS A 26 10.113 11.331 -0.029 1.00 0.00 C ATOM 457 O HIS A 26 11.140 11.345 -0.677 1.00 0.00 O ATOM 458 CB HIS A 26 8.832 11.908 -2.086 1.00 0.00 C ATOM 459 CG HIS A 26 7.552 12.487 -2.618 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.380 11.746 -2.690 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.240 13.730 -3.113 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.429 12.542 -3.212 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.902 13.757 -3.486 1.00 0.00 N ATOM 0 H HIS A 26 9.369 14.041 -0.669 1.00 0.00 H new ATOM 0 HA HIS A 26 7.963 11.455 -0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.685 12.456 -2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.937 10.873 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.928 14.558 -3.199 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.409 12.234 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.389 14.543 -3.886 1.00 0.00 H new ATOM 472 N LYS A 27 10.062 10.756 1.141 1.00 0.00 N ATOM 473 CA LYS A 27 11.281 10.107 1.696 1.00 0.00 C ATOM 474 C LYS A 27 11.729 8.998 0.741 1.00 0.00 C ATOM 475 O LYS A 27 12.900 8.833 0.469 1.00 0.00 O ATOM 476 CB LYS A 27 10.966 9.508 3.067 1.00 0.00 C ATOM 477 CG LYS A 27 12.258 9.007 3.715 1.00 0.00 C ATOM 478 CD LYS A 27 11.932 8.342 5.055 1.00 0.00 C ATOM 479 CE LYS A 27 13.232 7.991 5.780 1.00 0.00 C ATOM 480 NZ LYS A 27 13.579 9.083 6.734 1.00 0.00 N ATOM 0 H LYS A 27 9.233 10.708 1.733 1.00 0.00 H new ATOM 0 HA LYS A 27 12.076 10.845 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.495 10.257 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.257 8.687 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.756 8.296 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.947 9.838 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.330 9.012 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.340 7.442 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.119 7.048 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.038 7.854 5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.463 8.845 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.703 9.974 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.813 9.193 7.429 1.00 0.00 H new ATOM 494 N VAL A 28 10.795 8.246 0.224 1.00 0.00 N ATOM 495 CA VAL A 28 11.150 7.150 -0.723 1.00 0.00 C ATOM 496 C VAL A 28 9.992 6.936 -1.700 1.00 0.00 C ATOM 497 O VAL A 28 10.081 7.262 -2.868 1.00 0.00 O ATOM 498 CB VAL A 28 11.399 5.853 0.054 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.331 4.949 -0.753 1.00 0.00 C ATOM 500 CG2 VAL A 28 12.048 6.174 1.403 1.00 0.00 C ATOM 0 H VAL A 28 9.798 8.344 0.417 1.00 0.00 H new ATOM 0 HA VAL A 28 12.053 7.423 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 28 10.449 5.346 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.509 4.026 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.870 4.715 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.279 5.460 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.223 5.249 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.997 6.683 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.386 6.819 1.981 1.00 0.00 H new ATOM 510 N GLY A 29 8.902 6.389 -1.231 1.00 0.00 N ATOM 511 CA GLY A 29 7.736 6.150 -2.129 1.00 0.00 C ATOM 512 C GLY A 29 6.995 7.468 -2.384 1.00 0.00 C ATOM 513 O GLY A 29 7.120 8.416 -1.635 1.00 0.00 O ATOM 0 H GLY A 29 8.769 6.097 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.075 5.724 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.060 5.424 -1.677 1.00 0.00 H new ATOM 517 N PRO A 30 6.228 7.515 -3.441 1.00 0.00 N ATOM 518 CA PRO A 30 5.438 8.724 -3.829 1.00 0.00 C ATOM 519 C PRO A 30 4.502 9.204 -2.717 1.00 0.00 C ATOM 520 O PRO A 30 3.726 10.117 -2.901 1.00 0.00 O ATOM 521 CB PRO A 30 4.632 8.271 -5.054 1.00 0.00 C ATOM 522 CG PRO A 30 4.705 6.780 -5.059 1.00 0.00 C ATOM 523 CD PRO A 30 6.027 6.419 -4.394 1.00 0.00 C ATOM 0 HA PRO A 30 6.092 9.573 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.599 8.612 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.049 8.686 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.865 6.347 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.662 6.391 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.976 5.453 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.840 6.360 -5.118 1.00 0.00 H new ATOM 531 N ASN A 31 4.574 8.606 -1.564 1.00 0.00 N ATOM 532 CA ASN A 31 3.695 9.044 -0.443 1.00 0.00 C ATOM 533 C ASN A 31 2.225 8.780 -0.791 1.00 0.00 C ATOM 534 O ASN A 31 1.717 9.262 -1.784 1.00 0.00 O ATOM 535 CB ASN A 31 3.895 10.541 -0.184 1.00 0.00 C ATOM 536 CG ASN A 31 4.416 10.751 1.239 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.509 10.145 1.617 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 3.825 11.475 2.016 1.00 0.00 N flip ATOM 0 H ASN A 31 5.203 7.833 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 31 3.958 8.480 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.601 10.954 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.953 11.073 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.971 11.949 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.183 11.608 2.962 1.00 0.00 H new ATOM 545 N LEU A 32 1.536 8.021 0.024 1.00 0.00 N ATOM 546 CA LEU A 32 0.097 7.731 -0.257 1.00 0.00 C ATOM 547 C LEU A 32 -0.792 8.703 0.523 1.00 0.00 C ATOM 548 O LEU A 32 -0.500 9.068 1.644 1.00 0.00 O ATOM 549 CB LEU A 32 -0.240 6.302 0.170 1.00 0.00 C ATOM 550 CG LEU A 32 0.469 5.305 -0.748 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.977 5.351 -0.502 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.047 3.894 -0.456 1.00 0.00 C ATOM 0 H LEU A 32 1.907 7.590 0.871 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.080 7.847 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.066 6.140 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.318 6.145 0.129 1.00 0.00 H new ATOM 0 HG LEU A 32 0.266 5.567 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.475 4.638 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.349 6.355 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.184 5.093 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.456 3.180 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.156 3.640 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.121 3.855 -0.636 1.00 0.00 H new ATOM 564 N HIS A 33 -1.882 9.115 -0.064 1.00 0.00 N ATOM 565 CA HIS A 33 -2.804 10.052 0.640 1.00 0.00 C ATOM 566 C HIS A 33 -4.077 10.219 -0.192 1.00 0.00 C ATOM 567 O HIS A 33 -4.156 11.067 -1.060 1.00 0.00 O ATOM 568 CB HIS A 33 -2.124 11.411 0.817 1.00 0.00 C ATOM 569 CG HIS A 33 -3.015 12.318 1.618 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.310 12.076 2.952 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.686 13.470 1.288 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.126 13.061 3.372 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.385 13.934 2.397 1.00 0.00 N ATOM 0 H HIS A 33 -2.175 8.843 -1.002 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.055 9.650 1.621 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.166 11.287 1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.916 11.855 -0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.673 13.943 0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.522 13.135 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.972 14.766 2.453 1.00 0.00 H new ATOM 582 N GLY A 34 -5.069 9.411 0.059 1.00 0.00 N ATOM 583 CA GLY A 34 -6.331 9.517 -0.723 1.00 0.00 C ATOM 584 C GLY A 34 -6.214 8.644 -1.971 1.00 0.00 C ATOM 585 O GLY A 34 -7.072 8.650 -2.831 1.00 0.00 O ATOM 0 H GLY A 34 -5.060 8.682 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.178 9.196 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.514 10.554 -1.004 1.00 0.00 H new ATOM 589 N ILE A 35 -5.152 7.892 -2.073 1.00 0.00 N ATOM 590 CA ILE A 35 -4.962 7.013 -3.260 1.00 0.00 C ATOM 591 C ILE A 35 -6.159 6.073 -3.399 1.00 0.00 C ATOM 592 O ILE A 35 -6.413 5.526 -4.455 1.00 0.00 O ATOM 593 CB ILE A 35 -3.686 6.189 -3.082 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.260 5.602 -4.430 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.950 5.051 -2.093 1.00 0.00 C ATOM 596 CD1 ILE A 35 -2.362 6.602 -5.162 1.00 0.00 C ATOM 0 H ILE A 35 -4.404 7.849 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.879 7.627 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.892 6.830 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.728 4.663 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.139 5.376 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.042 4.462 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.252 5.467 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.745 4.412 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.059 6.184 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.910 7.530 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.477 6.806 -4.559 1.00 0.00 H new ATOM 608 N PHE A 36 -6.896 5.875 -2.342 1.00 0.00 N ATOM 609 CA PHE A 36 -8.071 4.967 -2.413 1.00 0.00 C ATOM 610 C PHE A 36 -9.067 5.489 -3.448 1.00 0.00 C ATOM 611 O PHE A 36 -9.425 6.650 -3.454 1.00 0.00 O ATOM 612 CB PHE A 36 -8.742 4.917 -1.041 1.00 0.00 C ATOM 613 CG PHE A 36 -7.868 4.149 -0.081 1.00 0.00 C ATOM 614 CD1 PHE A 36 -8.005 2.761 0.019 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.924 4.819 0.710 1.00 0.00 C ATOM 616 CE1 PHE A 36 -7.200 2.039 0.905 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.118 4.096 1.598 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.256 2.706 1.696 1.00 0.00 C ATOM 0 H PHE A 36 -6.734 6.304 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.745 3.969 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.908 5.928 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.720 4.441 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.734 2.246 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.819 5.891 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.306 0.967 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.390 4.611 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.635 2.148 2.381 1.00 0.00 H new ATOM 628 N GLY A 37 -9.522 4.634 -4.324 1.00 0.00 N ATOM 629 CA GLY A 37 -10.501 5.073 -5.359 1.00 0.00 C ATOM 630 C GLY A 37 -9.819 6.033 -6.336 1.00 0.00 C ATOM 631 O GLY A 37 -10.448 6.906 -6.899 1.00 0.00 O ATOM 0 H GLY A 37 -9.258 3.650 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.891 4.208 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.351 5.564 -4.885 1.00 0.00 H new ATOM 635 N ARG A 38 -8.536 5.886 -6.540 1.00 0.00 N ATOM 636 CA ARG A 38 -7.829 6.804 -7.479 1.00 0.00 C ATOM 637 C ARG A 38 -6.801 6.028 -8.305 1.00 0.00 C ATOM 638 O ARG A 38 -6.442 4.912 -7.982 1.00 0.00 O ATOM 639 CB ARG A 38 -7.125 7.905 -6.687 1.00 0.00 C ATOM 640 CG ARG A 38 -8.166 8.716 -5.913 1.00 0.00 C ATOM 641 CD ARG A 38 -7.499 9.942 -5.290 1.00 0.00 C ATOM 642 NE ARG A 38 -8.410 10.540 -4.272 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.121 11.693 -3.733 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.033 12.322 -4.087 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.918 12.216 -2.843 1.00 0.00 N ATOM 0 H ARG A 38 -7.951 5.175 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.560 7.250 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.402 7.468 -5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.569 8.556 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.970 9.026 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.617 8.100 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.554 9.659 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.268 10.675 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.260 10.047 -3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.411 11.912 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.805 13.223 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.768 11.724 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.691 13.117 -2.422 1.00 0.00 H new ATOM 659 N HIS A 39 -6.328 6.612 -9.373 1.00 0.00 N ATOM 660 CA HIS A 39 -5.328 5.916 -10.229 1.00 0.00 C ATOM 661 C HIS A 39 -3.913 6.297 -9.784 1.00 0.00 C ATOM 662 O HIS A 39 -3.705 7.300 -9.130 1.00 0.00 O ATOM 663 CB HIS A 39 -5.530 6.331 -11.687 1.00 0.00 C ATOM 664 CG HIS A 39 -6.883 5.872 -12.156 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.009 6.680 -12.073 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.310 4.692 -12.716 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.048 5.983 -12.569 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.674 4.768 -12.973 1.00 0.00 N ATOM 0 H HIS A 39 -6.593 7.545 -9.689 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.459 4.838 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.448 7.414 -11.783 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.750 5.896 -12.312 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.683 3.838 -12.924 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.058 6.360 -12.632 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.265 4.046 -13.384 1.00 0.00 H new ATOM 677 N SER A 40 -2.940 5.498 -10.129 1.00 0.00 N ATOM 678 CA SER A 40 -1.538 5.798 -9.724 1.00 0.00 C ATOM 679 C SER A 40 -1.011 7.002 -10.508 1.00 0.00 C ATOM 680 O SER A 40 -1.451 7.286 -11.605 1.00 0.00 O ATOM 681 CB SER A 40 -0.655 4.586 -10.019 1.00 0.00 C ATOM 682 OG SER A 40 0.647 4.814 -9.495 1.00 0.00 O ATOM 0 H SER A 40 -3.057 4.646 -10.677 1.00 0.00 H new ATOM 0 HA SER A 40 -1.517 6.025 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.087 3.690 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.602 4.414 -11.094 1.00 0.00 H new ATOM 0 HG SER A 40 1.276 4.956 -10.233 1.00 0.00 H new ATOM 688 N GLY A 41 -0.059 7.706 -9.955 1.00 0.00 N ATOM 689 CA GLY A 41 0.515 8.884 -10.663 1.00 0.00 C ATOM 690 C GLY A 41 -0.099 10.176 -10.119 1.00 0.00 C ATOM 691 O GLY A 41 0.453 11.248 -10.278 1.00 0.00 O ATOM 0 H GLY A 41 0.346 7.514 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.597 8.904 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.323 8.804 -11.733 1.00 0.00 H new ATOM 695 N GLN A 42 -1.233 10.092 -9.482 1.00 0.00 N ATOM 696 CA GLN A 42 -1.870 11.325 -8.934 1.00 0.00 C ATOM 697 C GLN A 42 -0.961 11.957 -7.878 1.00 0.00 C ATOM 698 O GLN A 42 -0.887 13.163 -7.752 1.00 0.00 O ATOM 699 CB GLN A 42 -3.215 10.975 -8.297 1.00 0.00 C ATOM 700 CG GLN A 42 -3.938 12.267 -7.914 1.00 0.00 C ATOM 701 CD GLN A 42 -5.190 11.936 -7.105 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.108 11.322 -6.060 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.357 12.321 -7.547 1.00 0.00 N ATOM 0 H GLN A 42 -1.746 9.226 -9.317 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.026 12.032 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.822 10.397 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.063 10.353 -7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.275 12.907 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.210 12.823 -8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.425 12.837 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.200 12.106 -7.015 1.00 0.00 H new ATOM 712 N ALA A 43 -0.279 11.154 -7.108 1.00 0.00 N ATOM 713 CA ALA A 43 0.613 11.712 -6.051 1.00 0.00 C ATOM 714 C ALA A 43 1.663 12.624 -6.690 1.00 0.00 C ATOM 715 O ALA A 43 2.089 13.598 -6.103 1.00 0.00 O ATOM 716 CB ALA A 43 1.311 10.569 -5.314 1.00 0.00 C ATOM 0 H ALA A 43 -0.301 10.136 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 43 0.016 12.289 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.963 10.978 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.564 9.923 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.905 9.990 -6.021 1.00 0.00 H new ATOM 722 N GLU A 44 2.082 12.316 -7.885 1.00 0.00 N ATOM 723 CA GLU A 44 3.106 13.165 -8.559 1.00 0.00 C ATOM 724 C GLU A 44 4.185 13.559 -7.547 1.00 0.00 C ATOM 725 O GLU A 44 4.286 12.988 -6.480 1.00 0.00 O ATOM 726 CB GLU A 44 2.439 14.428 -9.109 1.00 0.00 C ATOM 727 CG GLU A 44 1.387 14.038 -10.149 1.00 0.00 C ATOM 728 CD GLU A 44 0.780 15.301 -10.761 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.059 16.375 -10.252 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.045 15.174 -11.726 1.00 0.00 O ATOM 0 H GLU A 44 1.760 11.513 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 44 3.560 12.607 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.974 14.989 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.187 15.080 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.841 13.426 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.607 13.436 -9.684 1.00 0.00 H new ATOM 737 N GLY A 45 4.992 14.530 -7.874 1.00 0.00 N ATOM 738 CA GLY A 45 6.063 14.957 -6.929 1.00 0.00 C ATOM 739 C GLY A 45 7.213 13.952 -6.978 1.00 0.00 C ATOM 740 O GLY A 45 8.372 14.317 -6.932 1.00 0.00 O ATOM 0 H GLY A 45 4.957 15.046 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.423 15.951 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.665 15.022 -5.916 1.00 0.00 H new ATOM 744 N TYR A 46 6.899 12.687 -7.073 1.00 0.00 N ATOM 745 CA TYR A 46 7.968 11.649 -7.130 1.00 0.00 C ATOM 746 C TYR A 46 7.901 10.939 -8.484 1.00 0.00 C ATOM 747 O TYR A 46 6.842 10.572 -8.952 1.00 0.00 O ATOM 748 CB TYR A 46 7.750 10.634 -6.005 1.00 0.00 C ATOM 749 CG TYR A 46 8.930 9.691 -5.941 1.00 0.00 C ATOM 750 CD1 TYR A 46 10.092 10.075 -5.262 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.861 8.435 -6.557 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.186 9.202 -5.200 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.956 7.563 -6.495 1.00 0.00 C ATOM 754 CZ TYR A 46 11.118 7.948 -5.816 1.00 0.00 C ATOM 755 OH TYR A 46 12.197 7.089 -5.754 1.00 0.00 O ATOM 0 H TYR A 46 5.945 12.328 -7.114 1.00 0.00 H new ATOM 0 HA TYR A 46 8.946 12.115 -7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.632 11.151 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.832 10.073 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.145 11.043 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.964 8.139 -7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.083 9.498 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.904 6.595 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 46 11.983 6.261 -6.232 1.00 0.00 H new ATOM 765 N SER A 47 9.024 10.754 -9.124 1.00 0.00 N ATOM 766 CA SER A 47 9.021 10.079 -10.453 1.00 0.00 C ATOM 767 C SER A 47 8.515 8.641 -10.308 1.00 0.00 C ATOM 768 O SER A 47 8.645 8.029 -9.267 1.00 0.00 O ATOM 769 CB SER A 47 10.442 10.064 -11.017 1.00 0.00 C ATOM 770 OG SER A 47 10.923 11.398 -11.110 1.00 0.00 O ATOM 0 H SER A 47 9.942 11.041 -8.784 1.00 0.00 H new ATOM 0 HA SER A 47 8.362 10.623 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.095 9.474 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.451 9.592 -12.000 1.00 0.00 H new ATOM 0 HG SER A 47 11.835 11.393 -11.470 1.00 0.00 H new ATOM 776 N TYR A 48 7.948 8.098 -11.354 1.00 0.00 N ATOM 777 CA TYR A 48 7.437 6.698 -11.298 1.00 0.00 C ATOM 778 C TYR A 48 8.252 5.822 -12.252 1.00 0.00 C ATOM 779 O TYR A 48 8.690 6.262 -13.295 1.00 0.00 O ATOM 780 CB TYR A 48 5.964 6.666 -11.715 1.00 0.00 C ATOM 781 CG TYR A 48 5.104 7.206 -10.598 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.857 8.579 -10.498 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.548 6.325 -9.661 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.053 9.073 -9.463 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.746 6.818 -8.627 1.00 0.00 C ATOM 786 CZ TYR A 48 3.499 8.191 -8.526 1.00 0.00 C ATOM 787 OH TYR A 48 2.705 8.675 -7.506 1.00 0.00 O ATOM 0 H TYR A 48 7.817 8.568 -12.250 1.00 0.00 H new ATOM 0 HA TYR A 48 7.532 6.321 -10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.819 7.260 -12.617 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.666 5.645 -11.954 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.286 9.259 -11.219 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.739 5.265 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.860 10.133 -9.387 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.317 6.138 -7.906 1.00 0.00 H new ATOM 0 HH TYR A 48 2.401 7.930 -6.946 1.00 0.00 H new ATOM 797 N THR A 49 8.462 4.583 -11.899 1.00 0.00 N ATOM 798 CA THR A 49 9.252 3.681 -12.782 1.00 0.00 C ATOM 799 C THR A 49 8.368 3.177 -13.925 1.00 0.00 C ATOM 800 O THR A 49 7.160 3.310 -13.897 1.00 0.00 O ATOM 801 CB THR A 49 9.759 2.486 -11.970 1.00 0.00 C ATOM 802 OG1 THR A 49 8.691 1.574 -11.757 1.00 0.00 O ATOM 803 CG2 THR A 49 10.293 2.973 -10.621 1.00 0.00 C ATOM 0 H THR A 49 8.120 4.157 -11.037 1.00 0.00 H new ATOM 0 HA THR A 49 10.099 4.231 -13.192 1.00 0.00 H new ATOM 0 HB THR A 49 10.560 1.988 -12.517 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.052 0.672 -11.627 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.654 2.122 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.112 3.673 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.494 3.471 -10.072 1.00 0.00 H new ATOM 811 N ASP A 50 8.964 2.599 -14.931 1.00 0.00 N ATOM 812 CA ASP A 50 8.170 2.082 -16.081 1.00 0.00 C ATOM 813 C ASP A 50 7.099 1.110 -15.576 1.00 0.00 C ATOM 814 O ASP A 50 6.037 0.991 -16.148 1.00 0.00 O ATOM 815 CB ASP A 50 9.097 1.353 -17.051 1.00 0.00 C ATOM 816 CG ASP A 50 10.037 2.361 -17.715 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.796 3.549 -17.575 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.985 1.928 -18.351 1.00 0.00 O ATOM 0 H ASP A 50 9.972 2.462 -15.006 1.00 0.00 H new ATOM 0 HA ASP A 50 7.689 2.917 -16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.675 0.597 -16.519 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.511 0.832 -17.809 1.00 0.00 H new ATOM 823 N ALA A 51 7.379 0.406 -14.517 1.00 0.00 N ATOM 824 CA ALA A 51 6.388 -0.573 -13.982 1.00 0.00 C ATOM 825 C ALA A 51 4.988 0.057 -13.904 1.00 0.00 C ATOM 826 O ALA A 51 4.156 -0.158 -14.763 1.00 0.00 O ATOM 827 CB ALA A 51 6.828 -1.017 -12.585 1.00 0.00 C ATOM 0 H ALA A 51 8.254 0.465 -13.995 1.00 0.00 H new ATOM 0 HA ALA A 51 6.343 -1.432 -14.652 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.109 -1.733 -12.187 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.811 -1.485 -12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.879 -0.150 -11.927 1.00 0.00 H new ATOM 833 N ASN A 52 4.714 0.812 -12.871 1.00 0.00 N ATOM 834 CA ASN A 52 3.357 1.428 -12.731 1.00 0.00 C ATOM 835 C ASN A 52 3.007 2.263 -13.971 1.00 0.00 C ATOM 836 O ASN A 52 1.888 2.238 -14.442 1.00 0.00 O ATOM 837 CB ASN A 52 3.327 2.327 -11.492 1.00 0.00 C ATOM 838 CG ASN A 52 1.901 2.841 -11.258 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.575 3.948 -11.637 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.033 2.082 -10.638 1.00 0.00 N ATOM 0 H ASN A 52 5.368 1.029 -12.119 1.00 0.00 H new ATOM 0 HA ASN A 52 2.624 0.628 -12.629 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.671 1.771 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.009 3.167 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.085 2.421 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.305 1.152 -10.319 1.00 0.00 H new ATOM 847 N ILE A 53 3.939 3.009 -14.497 1.00 0.00 N ATOM 848 CA ILE A 53 3.631 3.841 -15.692 1.00 0.00 C ATOM 849 C ILE A 53 3.169 2.946 -16.843 1.00 0.00 C ATOM 850 O ILE A 53 2.148 3.183 -17.457 1.00 0.00 O ATOM 851 CB ILE A 53 4.888 4.600 -16.110 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.348 5.494 -14.957 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.573 5.460 -17.326 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.679 6.157 -15.324 1.00 0.00 C ATOM 0 H ILE A 53 4.896 3.078 -14.152 1.00 0.00 H new ATOM 0 HA ILE A 53 2.837 4.547 -15.448 1.00 0.00 H new ATOM 0 HB ILE A 53 5.679 3.893 -16.358 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.595 6.255 -14.750 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.462 4.903 -14.048 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.468 6.004 -17.628 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.241 4.823 -18.146 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.784 6.169 -17.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.007 6.794 -14.503 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.429 5.388 -15.509 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.549 6.761 -16.222 1.00 0.00 H new ATOM 866 N LYS A 54 3.914 1.916 -17.138 1.00 0.00 N ATOM 867 CA LYS A 54 3.521 1.002 -18.246 1.00 0.00 C ATOM 868 C LYS A 54 2.153 0.397 -17.938 1.00 0.00 C ATOM 869 O LYS A 54 1.340 0.193 -18.818 1.00 0.00 O ATOM 870 CB LYS A 54 4.555 -0.118 -18.378 1.00 0.00 C ATOM 871 CG LYS A 54 4.225 -0.976 -19.601 1.00 0.00 C ATOM 872 CD LYS A 54 5.224 -2.131 -19.699 1.00 0.00 C ATOM 873 CE LYS A 54 4.991 -2.899 -21.002 1.00 0.00 C ATOM 874 NZ LYS A 54 3.743 -2.408 -21.652 1.00 0.00 N ATOM 0 H LYS A 54 4.779 1.668 -16.658 1.00 0.00 H new ATOM 0 HA LYS A 54 3.473 1.561 -19.180 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.555 0.305 -18.477 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.557 -0.734 -17.478 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.210 -1.365 -19.522 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.265 -0.369 -20.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.244 -1.747 -19.668 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.109 -2.799 -18.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.840 -2.765 -21.672 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.912 -3.967 -20.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.511 -3.017 -22.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.962 -2.432 -20.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.884 -1.432 -21.982 1.00 0.00 H new ATOM 888 N LYS A 55 1.895 0.112 -16.691 1.00 0.00 N ATOM 889 CA LYS A 55 0.581 -0.480 -16.312 1.00 0.00 C ATOM 890 C LYS A 55 -0.038 0.343 -15.182 1.00 0.00 C ATOM 891 O LYS A 55 0.501 0.432 -14.097 1.00 0.00 O ATOM 892 CB LYS A 55 0.798 -1.919 -15.835 1.00 0.00 C ATOM 893 CG LYS A 55 -0.547 -2.542 -15.452 1.00 0.00 C ATOM 894 CD LYS A 55 -0.355 -4.030 -15.137 1.00 0.00 C ATOM 895 CE LYS A 55 0.499 -4.192 -13.873 1.00 0.00 C ATOM 896 NZ LYS A 55 0.062 -3.209 -12.842 1.00 0.00 N ATOM 0 H LYS A 55 2.540 0.264 -15.916 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.088 -0.476 -17.173 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.271 -2.506 -16.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.473 -1.931 -14.979 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.964 -2.028 -14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.260 -2.422 -16.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.324 -4.508 -14.995 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.127 -4.529 -15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.404 -5.206 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.552 -4.040 -14.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.367 -3.533 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.488 -2.282 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.974 -3.125 -12.859 1.00 0.00 H new ATOM 910 N ASN A 56 -1.174 0.939 -15.426 1.00 0.00 N ATOM 911 CA ASN A 56 -1.833 1.750 -14.365 1.00 0.00 C ATOM 912 C ASN A 56 -3.000 0.953 -13.785 1.00 0.00 C ATOM 913 O ASN A 56 -3.750 0.324 -14.506 1.00 0.00 O ATOM 914 CB ASN A 56 -2.351 3.063 -14.954 1.00 0.00 C ATOM 915 CG ASN A 56 -2.867 3.952 -13.821 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.053 4.189 -13.710 1.00 0.00 O ATOM 917 ND2 ASN A 56 -2.017 4.450 -12.964 1.00 0.00 N ATOM 0 H ASN A 56 -1.673 0.899 -16.315 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.111 1.977 -13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.554 3.571 -15.497 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.149 2.865 -15.670 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.349 5.039 -12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.021 4.250 -13.058 1.00 0.00 H new ATOM 924 N VAL A 57 -3.147 0.960 -12.490 1.00 0.00 N ATOM 925 CA VAL A 57 -4.254 0.190 -11.861 1.00 0.00 C ATOM 926 C VAL A 57 -5.023 1.080 -10.883 1.00 0.00 C ATOM 927 O VAL A 57 -4.463 1.951 -10.247 1.00 0.00 O ATOM 928 CB VAL A 57 -3.669 -1.002 -11.105 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.780 -0.494 -9.969 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.805 -1.847 -10.527 1.00 0.00 C ATOM 0 H VAL A 57 -2.547 1.467 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.935 -0.158 -12.637 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.076 -1.612 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.361 -1.342 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.971 0.108 -10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.374 0.114 -9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.388 -2.697 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.399 -1.240 -9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.439 -2.207 -11.337 1.00 0.00 H new ATOM 940 N LEU A 58 -6.300 0.858 -10.752 1.00 0.00 N ATOM 941 CA LEU A 58 -7.107 1.680 -9.809 1.00 0.00 C ATOM 942 C LEU A 58 -6.813 1.218 -8.384 1.00 0.00 C ATOM 943 O LEU A 58 -6.812 0.039 -8.091 1.00 0.00 O ATOM 944 CB LEU A 58 -8.597 1.488 -10.114 1.00 0.00 C ATOM 945 CG LEU A 58 -9.445 2.289 -9.119 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.187 3.782 -9.306 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.925 1.995 -9.367 1.00 0.00 C ATOM 0 H LEU A 58 -6.821 0.142 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.852 2.734 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.813 1.813 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.855 0.431 -10.055 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.177 2.002 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.792 4.347 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.132 3.993 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.453 4.073 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.532 2.563 -8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.188 2.283 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.112 0.930 -9.231 1.00 0.00 H new ATOM 959 N TRP A 59 -6.553 2.133 -7.492 1.00 0.00 N ATOM 960 CA TRP A 59 -6.255 1.728 -6.096 1.00 0.00 C ATOM 961 C TRP A 59 -7.535 1.758 -5.263 1.00 0.00 C ATOM 962 O TRP A 59 -8.234 2.753 -5.201 1.00 0.00 O ATOM 963 CB TRP A 59 -5.222 2.682 -5.493 1.00 0.00 C ATOM 964 CG TRP A 59 -3.900 2.458 -6.155 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.236 3.371 -6.898 1.00 0.00 C ATOM 966 CD2 TRP A 59 -3.075 1.257 -6.154 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.055 2.810 -7.347 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.912 1.508 -6.916 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.223 -0.013 -5.570 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.928 0.536 -7.095 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.235 -0.994 -5.748 1.00 0.00 C ATOM 972 CH2 TRP A 59 -1.090 -0.721 -6.509 1.00 0.00 C ATOM 0 H TRP A 59 -6.535 3.137 -7.670 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.853 0.715 -6.094 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.540 3.715 -5.630 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.138 2.514 -4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.573 4.376 -7.107 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.373 3.299 -7.926 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.101 -0.235 -4.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.048 0.754 -7.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.358 -1.967 -5.295 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.335 -1.481 -6.642 1.00 0.00 H new ATOM 983 N ASP A 60 -7.835 0.663 -4.624 1.00 0.00 N ATOM 984 CA ASP A 60 -9.056 0.575 -3.779 1.00 0.00 C ATOM 985 C ASP A 60 -8.808 -0.464 -2.684 1.00 0.00 C ATOM 986 O ASP A 60 -7.824 -1.175 -2.710 1.00 0.00 O ATOM 987 CB ASP A 60 -10.247 0.143 -4.638 1.00 0.00 C ATOM 988 CG ASP A 60 -11.540 0.300 -3.834 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.470 0.816 -2.732 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.578 -0.100 -4.337 1.00 0.00 O ATOM 0 H ASP A 60 -7.275 -0.189 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.276 1.545 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.294 0.747 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.125 -0.894 -4.952 1.00 0.00 H new ATOM 995 N GLU A 61 -9.677 -0.563 -1.717 1.00 0.00 N ATOM 996 CA GLU A 61 -9.452 -1.563 -0.634 1.00 0.00 C ATOM 997 C GLU A 61 -9.291 -2.954 -1.249 1.00 0.00 C ATOM 998 O GLU A 61 -8.467 -3.739 -0.822 1.00 0.00 O ATOM 999 CB GLU A 61 -10.649 -1.569 0.318 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.756 -0.215 1.021 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.909 -0.256 2.026 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.660 -1.217 1.997 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.022 0.673 2.808 1.00 0.00 O ATOM 0 H GLU A 61 -10.524 -0.002 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.550 -1.298 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.565 -1.775 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.536 -2.364 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.821 0.017 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.924 0.575 0.289 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.068 -3.264 -2.247 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.955 -4.604 -2.890 1.00 0.00 C ATOM 1012 C ASN A 62 -8.601 -4.746 -3.592 1.00 0.00 C ATOM 1013 O ASN A 62 -7.914 -5.737 -3.444 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.072 -4.762 -3.924 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.978 -6.144 -4.570 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.470 -7.115 -4.032 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.351 -6.272 -5.708 1.00 0.00 N ATOM 0 H ASN A 62 -10.777 -2.649 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.041 -5.373 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.044 -4.638 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.989 -3.987 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.274 -7.189 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.939 -5.455 -6.158 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.225 -3.769 -4.368 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.929 -3.848 -5.101 1.00 0.00 C ATOM 1026 C ASN A 63 -5.752 -3.882 -4.122 1.00 0.00 C ATOM 1027 O ASN A 63 -4.791 -4.597 -4.323 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.798 -2.634 -6.019 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.624 -2.841 -6.977 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.185 -3.954 -7.188 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -5.090 -1.807 -7.569 1.00 0.00 N ATOM 0 H ASN A 63 -8.761 -2.916 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.913 -4.765 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.720 -2.490 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.643 -1.732 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.305 -1.934 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.458 -0.872 -7.393 1.00 0.00 H new ATOM 1038 N MET A 64 -5.806 -3.108 -3.075 1.00 0.00 N ATOM 1039 CA MET A 64 -4.672 -3.099 -2.106 1.00 0.00 C ATOM 1040 C MET A 64 -4.486 -4.493 -1.502 1.00 0.00 C ATOM 1041 O MET A 64 -3.376 -4.941 -1.294 1.00 0.00 O ATOM 1042 CB MET A 64 -4.952 -2.087 -0.993 1.00 0.00 C ATOM 1043 CG MET A 64 -4.871 -0.674 -1.568 1.00 0.00 C ATOM 1044 SD MET A 64 -5.016 0.537 -0.233 1.00 0.00 S ATOM 1045 CE MET A 64 -4.876 2.017 -1.263 1.00 0.00 C ATOM 0 H MET A 64 -6.580 -2.484 -2.848 1.00 0.00 H new ATOM 0 HA MET A 64 -3.760 -2.815 -2.631 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.939 -2.263 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.229 -2.206 -0.186 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.926 -0.539 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.666 -0.522 -2.298 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.638 2.876 -0.635 1.00 0.00 H new ATOM 0 HE2 MET A 64 -4.084 1.875 -1.999 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.821 2.194 -1.777 1.00 0.00 H new ATOM 1055 N SER A 65 -5.555 -5.186 -1.221 1.00 0.00 N ATOM 1056 CA SER A 65 -5.411 -6.549 -0.637 1.00 0.00 C ATOM 1057 C SER A 65 -4.643 -7.439 -1.618 1.00 0.00 C ATOM 1058 O SER A 65 -3.732 -8.153 -1.246 1.00 0.00 O ATOM 1059 CB SER A 65 -6.797 -7.143 -0.383 1.00 0.00 C ATOM 1060 OG SER A 65 -7.541 -6.259 0.449 1.00 0.00 O ATOM 0 H SER A 65 -6.514 -4.871 -1.369 1.00 0.00 H new ATOM 0 HA SER A 65 -4.866 -6.489 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.318 -7.297 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.706 -8.119 0.093 1.00 0.00 H new ATOM 0 HG SER A 65 -7.836 -5.486 -0.076 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.997 -7.390 -2.873 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.280 -8.220 -3.881 1.00 0.00 C ATOM 1068 C GLU A 66 -2.842 -7.714 -4.009 1.00 0.00 C ATOM 1069 O GLU A 66 -1.923 -8.472 -4.247 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.985 -8.105 -5.234 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.333 -9.064 -6.233 1.00 0.00 C ATOM 1072 CD GLU A 66 -4.970 -8.878 -7.611 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.839 -8.028 -7.730 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.581 -9.586 -8.523 1.00 0.00 O ATOM 0 H GLU A 66 -5.751 -6.812 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.278 -9.263 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.044 -8.341 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.922 -7.081 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.261 -8.875 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.458 -10.094 -5.899 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.647 -6.434 -3.854 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.282 -5.860 -3.966 1.00 0.00 C ATOM 1083 C HIS A 67 -0.366 -6.540 -2.946 1.00 0.00 C ATOM 1084 O HIS A 67 0.752 -6.908 -3.245 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.362 -4.360 -3.680 1.00 0.00 C ATOM 1086 CG HIS A 67 -0.093 -3.683 -4.116 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.355 -3.719 -5.428 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.823 -2.933 -3.427 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.496 -3.008 -5.488 1.00 0.00 C ATOM 1090 NE2 HIS A 67 1.824 -2.510 -4.294 1.00 0.00 N ATOM 0 H HIS A 67 -3.383 -5.757 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.880 -6.022 -4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.213 -3.927 -4.205 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.525 -4.193 -2.615 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.098 -4.198 -6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.775 -2.705 -2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.073 -2.859 -6.389 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.841 -6.711 -1.747 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.019 -7.371 -0.696 1.00 0.00 C ATOM 1101 C LEU A 68 0.194 -8.840 -1.051 1.00 0.00 C ATOM 1102 O LEU A 68 1.147 -9.452 -0.619 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.737 -7.271 0.648 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.931 -5.802 1.023 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.696 -5.712 2.343 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.435 -5.134 1.186 1.00 0.00 C ATOM 0 H LEU A 68 -1.771 -6.420 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 68 0.949 -6.874 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.703 -7.772 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.158 -7.779 1.419 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.494 -5.298 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.835 -4.665 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.669 -6.191 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.130 -6.216 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.298 -4.086 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.995 -5.639 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.987 -5.200 0.248 1.00 0.00 H new ATOM 1118 N THR A 69 -0.688 -9.422 -1.815 1.00 0.00 N ATOM 1119 CA THR A 69 -0.514 -10.857 -2.171 1.00 0.00 C ATOM 1120 C THR A 69 0.399 -10.982 -3.395 1.00 0.00 C ATOM 1121 O THR A 69 0.209 -10.323 -4.397 1.00 0.00 O ATOM 1122 CB THR A 69 -1.877 -11.478 -2.484 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.781 -11.190 -1.427 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.727 -12.994 -2.626 1.00 0.00 C ATOM 0 H THR A 69 -1.515 -8.970 -2.205 1.00 0.00 H new ATOM 0 HA THR A 69 -0.061 -11.381 -1.330 1.00 0.00 H new ATOM 0 HB THR A 69 -2.261 -11.062 -3.416 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.978 -12.012 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.698 -13.436 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.032 -13.217 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.344 -13.411 -1.694 1.00 0.00 H new ATOM 1132 N ASN A 70 1.383 -11.836 -3.317 1.00 0.00 N ATOM 1133 CA ASN A 70 2.317 -12.032 -4.466 1.00 0.00 C ATOM 1134 C ASN A 70 2.626 -10.694 -5.148 1.00 0.00 C ATOM 1135 O ASN A 70 2.429 -10.538 -6.336 1.00 0.00 O ATOM 1136 CB ASN A 70 1.677 -12.981 -5.481 1.00 0.00 C ATOM 1137 CG ASN A 70 2.772 -13.730 -6.243 1.00 0.00 C ATOM 1138 OD1 ASN A 70 2.847 -13.609 -7.539 1.00 0.00 O flip ATOM 1139 ND2 ASN A 70 3.568 -14.430 -5.651 1.00 0.00 N flip ATOM 0 H ASN A 70 1.583 -12.412 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 70 3.248 -12.456 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.025 -13.690 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.054 -12.419 -6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.509 -14.524 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.296 -14.924 -6.168 1.00 0.00 H new ATOM 1146 N PRO A 71 3.124 -9.744 -4.403 1.00 0.00 N ATOM 1147 CA PRO A 71 3.488 -8.400 -4.943 1.00 0.00 C ATOM 1148 C PRO A 71 4.636 -8.474 -5.958 1.00 0.00 C ATOM 1149 O PRO A 71 4.897 -7.534 -6.683 1.00 0.00 O ATOM 1150 CB PRO A 71 3.924 -7.607 -3.708 1.00 0.00 C ATOM 1151 CG PRO A 71 4.271 -8.632 -2.679 1.00 0.00 C ATOM 1152 CD PRO A 71 3.390 -9.843 -2.964 1.00 0.00 C ATOM 0 HA PRO A 71 2.654 -7.946 -5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.780 -6.970 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.124 -6.954 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.327 -8.898 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.092 -8.250 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.896 -10.775 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.468 -9.814 -2.383 1.00 0.00 H new ATOM 1160 N ALA A 72 5.332 -9.579 -6.006 1.00 0.00 N ATOM 1161 CA ALA A 72 6.468 -9.707 -6.963 1.00 0.00 C ATOM 1162 C ALA A 72 5.968 -9.486 -8.392 1.00 0.00 C ATOM 1163 O ALA A 72 6.652 -8.909 -9.215 1.00 0.00 O ATOM 1164 CB ALA A 72 7.075 -11.106 -6.848 1.00 0.00 C ATOM 0 H ALA A 72 5.162 -10.399 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 72 7.224 -8.959 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.906 -11.201 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.436 -11.263 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.316 -11.852 -7.083 1.00 0.00 H new ATOM 1170 N LYS A 73 4.782 -9.932 -8.695 1.00 0.00 N ATOM 1171 CA LYS A 73 4.244 -9.739 -10.069 1.00 0.00 C ATOM 1172 C LYS A 73 3.599 -8.358 -10.162 1.00 0.00 C ATOM 1173 O LYS A 73 3.018 -7.995 -11.166 1.00 0.00 O ATOM 1174 CB LYS A 73 3.193 -10.813 -10.364 1.00 0.00 C ATOM 1175 CG LYS A 73 3.854 -12.193 -10.358 1.00 0.00 C ATOM 1176 CD LYS A 73 2.828 -13.252 -10.764 1.00 0.00 C ATOM 1177 CE LYS A 73 3.454 -14.643 -10.644 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.707 -15.437 -9.630 1.00 0.00 N ATOM 0 H LYS A 73 4.162 -10.422 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 73 5.053 -9.818 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.400 -10.775 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.728 -10.625 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.698 -12.206 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.248 -12.415 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.946 -13.182 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.496 -13.078 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.429 -15.149 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.502 -14.558 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.259 -16.280 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.548 -14.856 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.791 -15.730 -10.025 1.00 0.00 H new ATOM 1192 N TYR A 74 3.692 -7.588 -9.113 1.00 0.00 N ATOM 1193 CA TYR A 74 3.083 -6.232 -9.120 1.00 0.00 C ATOM 1194 C TYR A 74 4.192 -5.176 -9.186 1.00 0.00 C ATOM 1195 O TYR A 74 5.088 -5.149 -8.366 1.00 0.00 O ATOM 1196 CB TYR A 74 2.285 -6.057 -7.829 1.00 0.00 C ATOM 1197 CG TYR A 74 1.079 -5.177 -8.058 1.00 0.00 C ATOM 1198 CD1 TYR A 74 1.210 -3.947 -8.716 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.169 -5.581 -7.575 1.00 0.00 C ATOM 1200 CE1 TYR A 74 0.094 -3.124 -8.886 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.288 -4.761 -7.752 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.155 -3.530 -8.405 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.249 -2.709 -8.561 1.00 0.00 O ATOM 0 H TYR A 74 4.167 -7.843 -8.247 1.00 0.00 H new ATOM 0 HA TYR A 74 2.429 -6.116 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.965 -7.031 -7.459 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.921 -5.618 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.173 -3.635 -9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.269 -6.527 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.196 -2.174 -9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.253 -5.077 -7.385 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.202 -1.974 -7.914 1.00 0.00 H new ATOM 1213 N ILE A 75 4.134 -4.310 -10.160 1.00 0.00 N ATOM 1214 CA ILE A 75 5.172 -3.244 -10.305 1.00 0.00 C ATOM 1215 C ILE A 75 6.562 -3.788 -9.952 1.00 0.00 C ATOM 1216 O ILE A 75 7.271 -3.235 -9.136 1.00 0.00 O ATOM 1217 CB ILE A 75 4.825 -2.054 -9.399 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.752 -2.488 -7.927 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.473 -1.480 -9.817 1.00 0.00 C ATOM 1220 CD1 ILE A 75 4.657 -1.245 -7.045 1.00 0.00 C ATOM 0 H ILE A 75 3.403 -4.294 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 75 5.188 -2.913 -11.343 1.00 0.00 H new ATOM 0 HB ILE A 75 5.606 -1.301 -9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.886 -3.130 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.634 -3.071 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.223 -0.635 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.524 -1.147 -10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.706 -2.248 -9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.605 -1.545 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.537 -0.621 -7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.761 -0.681 -7.306 1.00 0.00 H new ATOM 1232 N PRO A 76 6.959 -4.859 -10.583 1.00 0.00 N ATOM 1233 CA PRO A 76 8.292 -5.487 -10.348 1.00 0.00 C ATOM 1234 C PRO A 76 9.448 -4.541 -10.692 1.00 0.00 C ATOM 1235 O PRO A 76 10.572 -4.741 -10.271 1.00 0.00 O ATOM 1236 CB PRO A 76 8.304 -6.705 -11.280 1.00 0.00 C ATOM 1237 CG PRO A 76 7.229 -6.456 -12.286 1.00 0.00 C ATOM 1238 CD PRO A 76 6.185 -5.585 -11.597 1.00 0.00 C ATOM 0 HA PRO A 76 8.431 -5.746 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.274 -6.818 -11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.116 -7.624 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.631 -5.956 -13.167 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.789 -7.394 -12.624 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.704 -4.904 -12.299 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.396 -6.186 -11.145 1.00 0.00 H new ATOM 1246 N GLY A 77 9.185 -3.522 -11.461 1.00 0.00 N ATOM 1247 CA GLY A 77 10.268 -2.573 -11.845 1.00 0.00 C ATOM 1248 C GLY A 77 10.362 -1.431 -10.829 1.00 0.00 C ATOM 1249 O GLY A 77 10.876 -0.371 -11.130 1.00 0.00 O ATOM 0 H GLY A 77 8.264 -3.304 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.220 -3.100 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.071 -2.169 -12.838 1.00 0.00 H new ATOM 1253 N THR A 78 9.875 -1.634 -9.632 1.00 0.00 N ATOM 1254 CA THR A 78 9.944 -0.548 -8.605 1.00 0.00 C ATOM 1255 C THR A 78 10.829 -0.987 -7.436 1.00 0.00 C ATOM 1256 O THR A 78 11.008 -2.162 -7.183 1.00 0.00 O ATOM 1257 CB THR A 78 8.537 -0.248 -8.079 1.00 0.00 C ATOM 1258 OG1 THR A 78 7.944 -1.448 -7.604 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.685 0.344 -9.199 1.00 0.00 C ATOM 0 H THR A 78 9.434 -2.500 -9.321 1.00 0.00 H new ATOM 0 HA THR A 78 10.367 0.345 -9.065 1.00 0.00 H new ATOM 0 HB THR A 78 8.600 0.471 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.586 -1.958 -8.361 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.685 0.556 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.142 1.267 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.619 -0.368 -10.021 1.00 0.00 H new ATOM 1267 N LYS A 79 11.377 -0.042 -6.722 1.00 0.00 N ATOM 1268 CA LYS A 79 12.249 -0.380 -5.563 1.00 0.00 C ATOM 1269 C LYS A 79 11.432 -1.181 -4.548 1.00 0.00 C ATOM 1270 O LYS A 79 11.952 -1.996 -3.812 1.00 0.00 O ATOM 1271 CB LYS A 79 12.725 0.917 -4.910 1.00 0.00 C ATOM 1272 CG LYS A 79 13.418 1.788 -5.957 1.00 0.00 C ATOM 1273 CD LYS A 79 13.935 3.067 -5.294 1.00 0.00 C ATOM 1274 CE LYS A 79 14.418 4.050 -6.365 1.00 0.00 C ATOM 1275 NZ LYS A 79 15.907 4.095 -6.363 1.00 0.00 N ATOM 0 H LYS A 79 11.257 0.956 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 79 13.106 -0.966 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.879 1.452 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.412 0.695 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.244 1.241 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.722 2.036 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.144 3.524 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.751 2.829 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.054 3.743 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.013 5.043 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.235 4.762 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.244 4.407 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.283 3.147 -6.568 1.00 0.00 H new ATOM 1289 N MET A 80 10.152 -0.931 -4.499 1.00 0.00 N ATOM 1290 CA MET A 80 9.271 -1.644 -3.534 1.00 0.00 C ATOM 1291 C MET A 80 9.692 -3.110 -3.412 1.00 0.00 C ATOM 1292 O MET A 80 9.602 -3.875 -4.351 1.00 0.00 O ATOM 1293 CB MET A 80 7.826 -1.565 -4.036 1.00 0.00 C ATOM 1294 CG MET A 80 6.863 -2.069 -2.960 1.00 0.00 C ATOM 1295 SD MET A 80 5.319 -1.132 -3.066 1.00 0.00 S ATOM 1296 CE MET A 80 4.203 -2.480 -2.603 1.00 0.00 C ATOM 0 H MET A 80 9.675 -0.254 -5.095 1.00 0.00 H new ATOM 0 HA MET A 80 9.355 -1.176 -2.553 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.581 -0.536 -4.300 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.715 -2.162 -4.942 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.668 -3.133 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.308 -1.951 -1.972 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.237 -2.068 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.070 -3.150 -3.452 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.629 -3.034 -1.767 1.00 0.00 H new ATOM 1306 N ALA A 81 10.147 -3.504 -2.251 1.00 0.00 N ATOM 1307 CA ALA A 81 10.573 -4.918 -2.042 1.00 0.00 C ATOM 1308 C ALA A 81 9.663 -5.570 -1.000 1.00 0.00 C ATOM 1309 O ALA A 81 10.067 -6.457 -0.274 1.00 0.00 O ATOM 1310 CB ALA A 81 12.016 -4.943 -1.541 1.00 0.00 C ATOM 0 H ALA A 81 10.242 -2.902 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 81 10.504 -5.465 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.330 -5.975 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.666 -4.472 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.083 -4.399 -0.599 1.00 0.00 H new ATOM 1316 N PHE A 82 8.439 -5.129 -0.915 1.00 0.00 N ATOM 1317 CA PHE A 82 7.498 -5.711 0.083 1.00 0.00 C ATOM 1318 C PHE A 82 7.220 -7.176 -0.272 1.00 0.00 C ATOM 1319 O PHE A 82 6.982 -7.511 -1.416 1.00 0.00 O ATOM 1320 CB PHE A 82 6.190 -4.916 0.056 1.00 0.00 C ATOM 1321 CG PHE A 82 5.303 -5.339 1.204 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.453 -4.746 2.462 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.323 -6.318 1.005 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.625 -5.131 3.522 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.495 -6.705 2.065 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.646 -6.111 3.324 1.00 0.00 C ATOM 0 H PHE A 82 8.048 -4.387 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 82 7.936 -5.661 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.402 -3.849 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.675 -5.079 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.209 -3.990 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.206 -6.775 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.741 -4.672 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.740 -7.462 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.007 -6.409 4.142 1.00 0.00 H new ATOM 1336 N GLY A 83 7.260 -8.052 0.697 1.00 0.00 N ATOM 1337 CA GLY A 83 7.008 -9.495 0.409 1.00 0.00 C ATOM 1338 C GLY A 83 5.505 -9.781 0.454 1.00 0.00 C ATOM 1339 O GLY A 83 4.704 -8.906 0.711 1.00 0.00 O ATOM 0 H GLY A 83 7.456 -7.832 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.407 -9.754 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.527 -10.116 1.139 1.00 0.00 H new ATOM 1343 N GLY A 84 5.117 -11.003 0.206 1.00 0.00 N ATOM 1344 CA GLY A 84 3.667 -11.346 0.232 1.00 0.00 C ATOM 1345 C GLY A 84 3.259 -11.771 1.644 1.00 0.00 C ATOM 1346 O GLY A 84 4.059 -12.289 2.399 1.00 0.00 O ATOM 0 H GLY A 84 5.742 -11.778 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.075 -10.487 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.462 -12.151 -0.473 1.00 0.00 H new ATOM 1350 N LEU A 85 2.022 -11.561 2.006 1.00 0.00 N ATOM 1351 CA LEU A 85 1.564 -11.959 3.370 1.00 0.00 C ATOM 1352 C LEU A 85 0.708 -13.223 3.276 1.00 0.00 C ATOM 1353 O LEU A 85 -0.306 -13.249 2.606 1.00 0.00 O ATOM 1354 CB LEU A 85 0.731 -10.829 3.976 1.00 0.00 C ATOM 1355 CG LEU A 85 1.536 -9.531 3.956 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.734 -8.427 4.644 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.857 -9.740 4.698 1.00 0.00 C ATOM 0 H LEU A 85 1.309 -11.131 1.417 1.00 0.00 H new ATOM 0 HA LEU A 85 2.432 -12.154 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.194 -10.704 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.450 -11.079 4.999 1.00 0.00 H new ATOM 0 HG LEU A 85 1.741 -9.244 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.306 -7.499 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.208 -8.279 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.531 -8.714 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.432 -8.814 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.653 -10.026 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.428 -10.529 4.209 1.00 0.00 H new ATOM 1369 N LYS A 86 1.104 -14.270 3.945 1.00 0.00 N ATOM 1370 CA LYS A 86 0.309 -15.529 3.900 1.00 0.00 C ATOM 1371 C LYS A 86 -1.046 -15.320 4.584 1.00 0.00 C ATOM 1372 O LYS A 86 -2.041 -15.899 4.198 1.00 0.00 O ATOM 1373 CB LYS A 86 1.076 -16.642 4.617 1.00 0.00 C ATOM 1374 CG LYS A 86 2.393 -16.909 3.887 1.00 0.00 C ATOM 1375 CD LYS A 86 3.041 -18.177 4.448 1.00 0.00 C ATOM 1376 CE LYS A 86 3.407 -17.960 5.918 1.00 0.00 C ATOM 1377 NZ LYS A 86 2.304 -18.463 6.783 1.00 0.00 N ATOM 0 H LYS A 86 1.945 -14.308 4.521 1.00 0.00 H new ATOM 0 HA LYS A 86 0.143 -15.809 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.273 -16.355 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.475 -17.551 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.212 -17.023 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.066 -16.060 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.356 -19.020 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.933 -18.426 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.335 -18.481 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.579 -16.901 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.162 -17.809 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.428 -18.526 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.551 -19.405 7.148 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.090 -14.508 5.609 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.380 -14.281 6.322 1.00 0.00 C ATOM 1393 C LYS A 87 -3.193 -13.204 5.602 1.00 0.00 C ATOM 1394 O LYS A 87 -2.792 -12.060 5.514 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.092 -13.823 7.755 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.143 -14.811 8.442 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.829 -16.172 8.600 1.00 0.00 C ATOM 1398 CE LYS A 87 -1.043 -17.023 9.601 1.00 0.00 C ATOM 1399 NZ LYS A 87 0.361 -17.177 9.126 1.00 0.00 N ATOM 0 H LYS A 87 -0.291 -13.995 5.981 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.949 -15.210 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.648 -12.827 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.024 -13.751 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.231 -14.920 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.849 -14.427 9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.854 -16.037 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.882 -16.679 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.056 -16.552 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.511 -18.001 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.807 -17.979 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.363 -17.352 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.894 -16.307 9.330 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.340 -13.563 5.093 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.193 -12.569 4.385 1.00 0.00 C ATOM 1415 C GLU A 88 -5.811 -11.602 5.398 1.00 0.00 C ATOM 1416 O GLU A 88 -5.983 -10.431 5.127 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.310 -13.301 3.637 1.00 0.00 C ATOM 1418 CG GLU A 88 -5.701 -14.169 2.532 1.00 0.00 C ATOM 1419 CD GLU A 88 -6.823 -14.850 1.744 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -7.960 -14.767 2.178 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -6.522 -15.445 0.723 1.00 0.00 O ATOM 0 H GLU A 88 -4.724 -14.507 5.138 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.582 -12.008 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.880 -13.921 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.006 -12.581 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.094 -13.556 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.040 -14.919 2.966 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.155 -12.086 6.562 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.770 -11.194 7.586 1.00 0.00 C ATOM 1430 C LYS A 89 -5.819 -10.041 7.902 1.00 0.00 C ATOM 1431 O LYS A 89 -6.233 -8.914 8.083 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.040 -11.994 8.863 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.083 -13.077 8.579 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.439 -13.797 9.880 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.392 -14.956 9.581 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.643 -16.243 9.636 1.00 0.00 N ATOM 0 H LYS A 89 -6.037 -13.058 6.847 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.707 -10.794 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.117 -12.449 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.395 -11.331 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.976 -12.631 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.694 -13.789 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.535 -14.171 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.905 -13.101 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.207 -14.966 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.841 -14.826 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.291 -17.031 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.880 -16.231 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.235 -16.367 10.584 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.544 -10.310 7.961 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.572 -9.228 8.258 1.00 0.00 C ATOM 1452 C ASP A 90 -3.691 -8.137 7.193 1.00 0.00 C ATOM 1453 O ASP A 90 -3.574 -6.961 7.476 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.156 -9.804 8.247 1.00 0.00 C ATOM 1455 CG ASP A 90 -1.985 -10.762 9.428 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -2.852 -10.774 10.286 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -0.987 -11.464 9.456 1.00 0.00 O ATOM 0 H ASP A 90 -4.136 -11.233 7.816 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.782 -8.802 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.973 -10.329 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.424 -8.999 8.309 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.919 -8.520 5.966 1.00 0.00 N ATOM 1463 CA ARG A 91 -4.041 -7.506 4.880 1.00 0.00 C ATOM 1464 C ARG A 91 -5.198 -6.556 5.184 1.00 0.00 C ATOM 1465 O ARG A 91 -5.101 -5.360 4.996 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.345 -8.216 3.562 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.193 -9.145 3.189 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.486 -9.772 1.826 1.00 0.00 C ATOM 1469 NE ARG A 91 -4.793 -10.485 1.878 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.376 -10.856 0.771 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.814 -10.606 -0.380 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -6.525 -11.473 0.814 1.00 0.00 N ATOM 0 H ARG A 91 -4.026 -9.490 5.669 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.107 -6.948 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.269 -8.788 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.501 -7.482 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.256 -8.589 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.075 -9.922 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.511 -9.000 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.691 -10.467 1.555 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.231 -10.683 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.918 -10.120 -0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.271 -10.897 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.967 -11.665 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.981 -11.763 -0.051 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.301 -7.085 5.629 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.482 -6.228 5.921 1.00 0.00 C ATOM 1488 C ASN A 92 -7.130 -5.147 6.947 1.00 0.00 C ATOM 1489 O ASN A 92 -7.527 -4.007 6.812 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.608 -7.104 6.469 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.042 -8.107 5.398 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.705 -7.960 4.241 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.783 -9.126 5.739 1.00 0.00 N ATOM 0 H ASN A 92 -6.437 -8.081 5.804 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.799 -5.738 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.271 -7.632 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.454 -6.484 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.080 -9.800 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.065 -9.248 6.711 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.401 -5.484 7.977 1.00 0.00 N ATOM 1501 CA ASP A 93 -6.053 -4.461 8.994 1.00 0.00 C ATOM 1502 C ASP A 93 -5.113 -3.416 8.384 1.00 0.00 C ATOM 1503 O ASP A 93 -5.223 -2.237 8.653 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.367 -5.142 10.178 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.328 -6.145 10.818 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.516 -6.041 10.566 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.859 -7.002 11.549 1.00 0.00 O ATOM 0 H ASP A 93 -6.035 -6.419 8.154 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.962 -3.964 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.463 -5.651 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.061 -4.397 10.912 1.00 0.00 H new ATOM 1512 N LEU A 94 -4.179 -3.842 7.575 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.221 -2.875 6.963 1.00 0.00 C ATOM 1514 C LEU A 94 -3.962 -1.864 6.079 1.00 0.00 C ATOM 1515 O LEU A 94 -3.707 -0.678 6.136 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.209 -3.645 6.112 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.182 -2.674 5.524 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.374 -2.041 6.655 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.237 -3.435 4.596 1.00 0.00 C ATOM 0 H LEU A 94 -4.038 -4.817 7.312 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.710 -2.333 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.706 -4.397 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.723 -4.175 5.310 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.699 -1.895 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.357 -1.350 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.045 -1.500 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.143 -2.821 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.495 -2.745 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.279 -4.212 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.809 -3.892 3.789 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.864 -2.320 5.255 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.601 -1.375 4.364 1.00 0.00 C ATOM 1533 C ILE A 95 -6.450 -0.424 5.213 1.00 0.00 C ATOM 1534 O ILE A 95 -6.528 0.760 4.948 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.504 -2.175 3.421 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.657 -3.186 2.644 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.192 -1.234 2.427 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.571 -4.098 1.823 1.00 0.00 C ATOM 0 H ILE A 95 -5.123 -3.302 5.159 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.890 -0.791 3.779 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.260 -2.694 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.962 -2.664 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.058 -3.780 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.832 -1.813 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.797 -0.509 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.438 -0.710 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.966 -4.817 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.248 -4.631 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.150 -3.497 1.122 1.00 0.00 H new ATOM 1550 N THR A 96 -7.095 -0.938 6.219 1.00 0.00 N ATOM 1551 CA THR A 96 -7.956 -0.080 7.082 1.00 0.00 C ATOM 1552 C THR A 96 -7.119 0.990 7.790 1.00 0.00 C ATOM 1553 O THR A 96 -7.545 2.119 7.943 1.00 0.00 O ATOM 1554 CB THR A 96 -8.637 -0.967 8.124 1.00 0.00 C ATOM 1555 OG1 THR A 96 -9.327 -2.016 7.460 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.629 -0.144 8.945 1.00 0.00 C ATOM 0 H THR A 96 -7.064 -1.922 6.484 1.00 0.00 H new ATOM 0 HA THR A 96 -8.700 0.421 6.463 1.00 0.00 H new ATOM 0 HB THR A 96 -7.883 -1.383 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.673 -2.651 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.109 -0.785 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.100 0.663 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.386 0.278 8.284 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.945 0.646 8.244 1.00 0.00 N ATOM 1565 CA TYR A 97 -5.105 1.648 8.964 1.00 0.00 C ATOM 1566 C TYR A 97 -4.778 2.842 8.057 1.00 0.00 C ATOM 1567 O TYR A 97 -4.861 3.981 8.475 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.804 0.988 9.425 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.975 1.997 10.182 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -3.243 2.252 11.533 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.942 2.683 9.532 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -2.477 3.192 12.233 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -1.177 3.622 10.232 1.00 0.00 C ATOM 1574 CZ TYR A 97 -1.442 3.878 11.582 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.689 4.803 12.272 1.00 0.00 O ATOM 0 H TYR A 97 -5.531 -0.281 8.149 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.664 2.011 9.826 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.023 0.130 10.060 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.248 0.614 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -4.040 1.724 12.035 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.736 2.487 8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.683 3.389 13.275 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.380 4.150 9.730 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.013 5.186 11.674 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.403 2.606 6.829 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.073 3.753 5.934 1.00 0.00 C ATOM 1587 C LEU A 98 -5.310 4.623 5.728 1.00 0.00 C ATOM 1588 O LEU A 98 -5.222 5.833 5.669 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.570 3.240 4.580 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.221 2.535 4.756 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.732 2.025 3.400 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.198 3.525 5.314 1.00 0.00 C ATOM 0 H LEU A 98 -4.311 1.681 6.410 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.288 4.348 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.297 2.551 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.467 4.071 3.882 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.338 1.698 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.772 1.523 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.459 1.322 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.616 2.865 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.238 3.024 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.084 4.359 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.541 3.898 6.279 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.462 4.027 5.622 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.689 4.837 5.426 1.00 0.00 C ATOM 1606 C LYS A 99 -7.843 5.808 6.598 1.00 0.00 C ATOM 1607 O LYS A 99 -8.266 6.934 6.436 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.906 3.917 5.362 1.00 0.00 C ATOM 1609 CG LYS A 99 -8.821 3.042 4.110 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.097 2.207 3.982 1.00 0.00 C ATOM 1611 CE LYS A 99 -11.196 3.046 3.326 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.495 2.784 4.009 1.00 0.00 N ATOM 0 H LYS A 99 -6.605 3.018 5.663 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.612 5.396 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.949 3.291 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.821 4.508 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.692 3.666 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.951 2.388 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.902 1.315 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.422 1.868 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.947 4.105 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.273 2.800 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.195 3.492 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.834 1.833 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.364 2.844 5.039 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.495 5.378 7.782 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.613 6.273 8.965 1.00 0.00 C ATOM 1628 C LYS A 100 -6.754 7.518 8.746 1.00 0.00 C ATOM 1629 O LYS A 100 -7.157 8.625 9.043 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.118 5.530 10.205 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.322 6.403 11.442 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.723 5.696 12.658 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.077 6.469 13.929 1.00 0.00 C ATOM 1634 NZ LYS A 100 -6.461 5.797 15.107 1.00 0.00 N ATOM 0 H LYS A 100 -7.134 4.444 7.979 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.654 6.567 9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.658 4.590 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.063 5.280 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.847 7.374 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.384 6.588 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.104 4.677 12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.640 5.626 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.719 7.496 13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.159 6.517 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.702 6.323 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.823 4.825 15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.428 5.774 14.992 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.572 7.340 8.229 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.679 8.508 7.987 1.00 0.00 C ATOM 1650 C ALA A 101 -5.330 9.449 6.972 1.00 0.00 C ATOM 1651 O ALA A 101 -5.172 10.653 7.036 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.336 8.019 7.442 1.00 0.00 C ATOM 0 H ALA A 101 -5.184 6.435 7.963 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.518 9.042 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.682 8.873 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.871 7.350 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.496 7.484 6.506 1.00 0.00 H new ATOM 1658 N THR A 102 -6.057 8.912 6.031 1.00 0.00 N ATOM 1659 CA THR A 102 -6.716 9.779 5.013 1.00 0.00 C ATOM 1660 C THR A 102 -7.824 10.597 5.677 1.00 0.00 C ATOM 1661 O THR A 102 -8.197 11.653 5.205 1.00 0.00 O ATOM 1662 CB THR A 102 -7.318 8.903 3.910 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.369 8.116 4.454 1.00 0.00 O ATOM 1664 CG2 THR A 102 -6.237 7.987 3.335 1.00 0.00 C ATOM 0 H THR A 102 -6.223 7.911 5.923 1.00 0.00 H new ATOM 0 HA THR A 102 -5.978 10.454 4.579 1.00 0.00 H new ATOM 0 HB THR A 102 -7.712 9.538 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.224 7.996 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.667 7.364 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.432 8.592 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.840 7.351 4.126 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.355 10.118 6.769 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.439 10.870 7.460 1.00 0.00 C ATOM 1674 C GLU A 103 -8.824 11.825 8.487 1.00 0.00 C ATOM 1675 O GLU A 103 -9.496 12.670 9.043 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.369 9.886 8.173 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.031 8.970 7.140 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.017 8.035 7.843 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -12.018 8.017 9.062 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.754 7.355 7.149 1.00 0.00 O ATOM 0 H GLU A 103 -8.085 9.240 7.211 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.008 11.442 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.805 9.293 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.130 10.429 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.551 9.566 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.273 8.388 6.616 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.155 0.989 -1.892 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.534 2.580 -4.815 1.00 0.00 C HETATM 1690 CHB HEC A 201 1.838 0.478 -1.471 1.00 0.00 C HETATM 1691 CHC HEC A 201 5.772 -0.556 1.044 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.475 1.457 -2.354 1.00 0.00 C HETATM 1693 NA HEC A 201 3.542 1.440 -2.911 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.455 2.106 -4.114 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.089 2.209 -4.568 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.324 1.689 -3.581 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.234 1.159 -2.594 1.00 0.00 C HETATM 1698 CMA HEC A 201 -0.149 1.858 -3.424 1.00 0.00 C HETATM 1699 CAA HEC A 201 1.642 2.512 -5.960 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.046 3.922 -6.406 1.00 0.00 C HETATM 1701 CGA HEC A 201 0.809 4.703 -6.858 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.775 5.901 -6.631 1.00 0.00 O HETATM 1703 O2A HEC A 201 -0.078 4.092 -7.429 1.00 0.00 O HETATM 1704 NB HEC A 201 4.049 0.134 -0.521 1.00 0.00 N HETATM 1705 C1B HEC A 201 2.681 -0.007 -0.500 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.232 -0.723 0.668 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.343 -0.906 1.448 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.459 -0.445 0.657 1.00 0.00 C HETATM 1709 CMB HEC A 201 0.936 -1.457 0.759 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.400 -1.150 2.932 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.129 -1.738 3.548 1.00 0.00 C HETATM 1712 NC HEC A 201 6.768 0.542 -0.880 1.00 0.00 N HETATM 1713 C1C HEC A 201 6.852 -0.109 0.328 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.219 -0.288 0.742 1.00 0.00 C HETATM 1715 C3C HEC A 201 8.982 0.361 -0.163 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.082 0.811 -1.204 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.710 -1.287 1.730 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.399 0.781 0.047 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.396 -0.363 -0.143 1.00 0.00 C HETATM 1720 ND HEC A 201 6.257 1.836 -3.270 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.629 1.933 -3.321 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.072 2.584 -4.530 1.00 0.00 C HETATM 1723 C3D HEC A 201 6.957 2.982 -5.176 1.00 0.00 C HETATM 1724 C4D HEC A 201 5.842 2.460 -4.427 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.438 2.518 -5.115 1.00 0.00 C HETATM 1726 CAD HEC A 201 6.892 3.965 -6.293 1.00 0.00 C HETATM 1727 CBD HEC A 201 6.855 3.285 -7.662 1.00 0.00 C HETATM 1728 CGD HEC A 201 7.298 4.277 -8.740 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.774 4.199 -9.840 1.00 0.00 O HETATM 1730 O2D HEC A 201 8.153 5.096 -8.449 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.159 2.914 -4.400 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 9.686 1.482 -5.345 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.471 3.110 -6.029 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.229 -1.114 2.692 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.472 -2.292 1.381 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 9.790 -1.188 1.841 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.112 -0.762 0.598 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 0.906 -2.237 -0.001 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 0.842 -1.909 1.747 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.385 2.917 -3.321 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.657 1.457 -4.301 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.484 1.324 -2.535 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.510 2.414 -7.664 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 5.848 2.927 -7.875 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.178 -1.158 0.570 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.314 -0.753 -1.158 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.408 0.005 0.023 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.294 -1.058 3.379 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 1.912 -2.701 3.085 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.274 -1.875 4.620 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.537 4.445 -5.585 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.766 3.862 -7.222 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.005 4.588 -6.175 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.756 4.628 -6.242 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.071 1.780 -6.644 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 0.559 2.410 -6.022 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.544 1.601 -2.508 1.00 0.00 H new HETATM 0 HHC HEC A 201 5.972 -1.040 2.000 1.00 0.00 H new HETATM 0 HHB HEC A 201 0.770 0.308 -1.338 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.335 3.093 -5.756 1.00 0.00 H new