USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 883 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 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 48 TYR OH : rot 153:sc= 1.57 USER MOD Set 1.2: A 104 HEC O2A : rot -90:sc= 1.19 USER MOD Set 2.1: A 78 THR OG1 : rot -135:sc= 0.911 USER MOD Set 2.2: A 104 HEC O2D : rot -30:sc= 0.403 USER MOD Set 3.1: A 63 ASN :FLIP amide:sc= -0.419 F(o=0.16!,f=0.84) USER MOD Set 3.2: A 74 TYR OH : rot 165:sc= 1.26 USER MOD Set 4.1: A 19 THR OG1 : rot -119:sc= 0.25 USER MOD Set 4.2: A 22 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0) USER MOD Set 4.3: A 31 ASN : amide:sc= 0.648 K(o=2.4,f=-5.4!) USER MOD Set 4.4: A 33 HIS : no HE2:sc= 0.267 K(o=2.4,f=-6.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0308) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.05) USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.0645 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -166:sc= 1.24 (180deg=0.95) USER MOD Single : A -5 THR OG1 : rot -95:sc= 1.01 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0155) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.616 K(o=0.62,f=-0.3) USER MOD Single : A 26 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.07) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 40 SER OG : rot 101:sc= 1.3 USER MOD Single : A 42 GLN : amide:sc= -2.36! C(o=-2.4!,f=-4.7!) USER MOD Single : A 46 TYR OH : rot -123:sc= 1.07 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 52 ASN : amide:sc= -0.0704 K(o=-0.07,f=-2.3) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.0262) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.792) USER MOD Single : A 56 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.26) USER MOD Single : A 62 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.4!) USER MOD Single : A 64 MET CE :methyl 175:sc= -0.894 (180deg=-0.988) USER MOD Single : A 65 SER OG : rot -39:sc= 0.508 USER MOD Single : A 67 TYR OH : rot 93:sc= 1.03 USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= -0.0403 K(o=-0.04,f=-4.9!) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 1.81 (180deg=1.39) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0265) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0.908 (180deg=0.768) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.56 (180deg=-1.15) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 1.27 (180deg=0.0297) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.06 K(o=1.1,f=-7!) USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.68 USER MOD Single : A 97 TYR OH : rot 152:sc= 0.576 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 1.07 (180deg=-1.13!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -150:sc= -0.0572 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -13.803 -6.321 11.669 1.00 0.00 N ATOM 2 CA THR A -5 -13.269 -7.672 11.420 1.00 0.00 C ATOM 3 C THR A -5 -12.001 -7.579 10.603 1.00 0.00 C ATOM 4 O THR A -5 -11.948 -6.885 9.592 1.00 0.00 O ATOM 5 CB THR A -5 -14.290 -8.611 10.772 1.00 0.00 C ATOM 6 OG1 THR A -5 -13.755 -9.902 10.661 1.00 0.00 O ATOM 7 CG2 THR A -5 -14.824 -8.213 9.398 1.00 0.00 C ATOM 0 H1 THR A -5 -14.525 -6.365 12.416 1.00 0.00 H new ATOM 0 H2 THR A -5 -13.031 -5.693 11.971 1.00 0.00 H new ATOM 0 H3 THR A -5 -14.230 -5.950 10.796 1.00 0.00 H new ATOM 0 HA THR A -5 -13.037 -8.116 12.388 1.00 0.00 H new ATOM 0 HB THR A -5 -15.142 -8.554 11.450 1.00 0.00 H new ATOM 0 HG1 THR A -5 -13.362 -10.018 9.771 1.00 0.00 H new ATOM 0 HG21 THR A -5 -15.537 -8.962 9.054 1.00 0.00 H new ATOM 0 HG22 THR A -5 -15.320 -7.245 9.467 1.00 0.00 H new ATOM 0 HG23 THR A -5 -13.997 -8.148 8.691 1.00 0.00 H new ATOM 17 N GLU A -4 -10.960 -8.221 11.102 1.00 0.00 N ATOM 18 CA GLU A -4 -9.556 -8.091 10.713 1.00 0.00 C ATOM 19 C GLU A -4 -9.334 -8.524 9.258 1.00 0.00 C ATOM 20 O GLU A -4 -8.505 -7.945 8.560 1.00 0.00 O ATOM 21 CB GLU A -4 -8.691 -8.892 11.711 1.00 0.00 C ATOM 22 CG GLU A -4 -8.809 -8.420 13.179 1.00 0.00 C ATOM 23 CD GLU A -4 -10.123 -8.852 13.866 1.00 0.00 C ATOM 24 OE1 GLU A -4 -11.120 -8.089 13.773 1.00 0.00 O ATOM 25 OE2 GLU A -4 -10.167 -9.989 14.377 1.00 0.00 O ATOM 0 H GLU A -4 -11.078 -8.903 11.851 1.00 0.00 H new ATOM 0 HA GLU A -4 -9.256 -7.044 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -8.974 -9.943 11.656 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -7.647 -8.826 11.403 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -7.966 -8.814 13.747 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -8.734 -7.333 13.209 1.00 0.00 H new ATOM 32 N PHE A -3 -10.149 -9.468 8.778 1.00 0.00 N ATOM 33 CA PHE A -3 -10.483 -9.666 7.367 1.00 0.00 C ATOM 34 C PHE A -3 -11.941 -10.163 7.248 1.00 0.00 C ATOM 35 O PHE A -3 -12.533 -10.610 8.238 1.00 0.00 O ATOM 36 CB PHE A -3 -9.485 -10.660 6.738 1.00 0.00 C ATOM 37 CG PHE A -3 -9.549 -10.782 5.222 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.281 -9.663 4.414 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.839 -12.018 4.610 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.342 -9.766 3.011 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.859 -12.130 3.208 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.613 -11.000 2.403 1.00 0.00 C ATOM 0 H PHE A -3 -10.612 -10.142 9.388 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.405 -8.724 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.475 -10.361 7.019 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -9.658 -11.645 7.172 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.027 -8.719 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -10.047 -12.884 5.221 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.179 -8.890 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -10.064 -13.085 2.747 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.633 -11.084 1.326 1.00 0.00 H new ATOM 52 N LYS A -2 -12.525 -10.123 6.040 1.00 0.00 N ATOM 53 CA LYS A -2 -13.631 -11.005 5.610 1.00 0.00 C ATOM 54 C LYS A -2 -13.804 -11.174 4.087 1.00 0.00 C ATOM 55 O LYS A -2 -14.827 -11.700 3.649 1.00 0.00 O ATOM 56 CB LYS A -2 -14.967 -10.560 6.235 1.00 0.00 C ATOM 57 CG LYS A -2 -15.826 -11.799 6.565 1.00 0.00 C ATOM 58 CD LYS A -2 -17.318 -11.620 6.266 1.00 0.00 C ATOM 59 CE LYS A -2 -18.009 -12.964 6.534 1.00 0.00 C ATOM 60 NZ LYS A -2 -19.435 -12.958 6.124 1.00 0.00 N ATOM 0 H LYS A -2 -12.238 -9.464 5.317 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.338 -11.988 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.781 -9.983 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -15.503 -9.908 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -15.451 -12.650 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.704 -12.042 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -17.744 -10.838 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -17.467 -11.312 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -17.483 -13.753 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -17.940 -13.200 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -19.858 -13.887 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -19.946 -12.223 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -19.502 -12.760 5.105 1.00 0.00 H new ATOM 74 N ALA A -1 -12.818 -10.733 3.309 1.00 0.00 N ATOM 75 CA ALA A -1 -12.841 -10.560 1.854 1.00 0.00 C ATOM 76 C ALA A -1 -13.887 -9.558 1.324 1.00 0.00 C ATOM 77 O ALA A -1 -14.806 -9.113 2.015 1.00 0.00 O ATOM 78 CB ALA A -1 -12.925 -11.930 1.156 1.00 0.00 C ATOM 0 H ALA A -1 -11.916 -10.467 3.705 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.894 -10.087 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -12.941 -11.787 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -12.058 -12.531 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -13.835 -12.442 1.468 1.00 0.00 H new ATOM 84 N GLY A 1 -13.696 -9.192 0.059 1.00 0.00 N ATOM 85 CA GLY A 1 -14.571 -8.382 -0.788 1.00 0.00 C ATOM 86 C GLY A 1 -14.501 -8.887 -2.234 1.00 0.00 C ATOM 87 O GLY A 1 -14.543 -10.093 -2.466 1.00 0.00 O ATOM 0 H GLY A 1 -12.855 -9.478 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.597 -8.435 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.270 -7.335 -0.743 1.00 0.00 H new ATOM 91 N SER A 2 -14.366 -8.005 -3.226 1.00 0.00 N ATOM 92 CA SER A 2 -14.180 -8.400 -4.632 1.00 0.00 C ATOM 93 C SER A 2 -12.984 -7.706 -5.272 1.00 0.00 C ATOM 94 O SER A 2 -12.824 -6.489 -5.160 1.00 0.00 O ATOM 95 CB SER A 2 -15.442 -8.091 -5.432 1.00 0.00 C ATOM 96 OG SER A 2 -15.239 -8.387 -6.804 1.00 0.00 O ATOM 0 H SER A 2 -14.382 -6.995 -3.082 1.00 0.00 H new ATOM 0 HA SER A 2 -13.985 -9.472 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.277 -8.675 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.707 -7.040 -5.315 1.00 0.00 H new ATOM 0 HG SER A 2 -16.056 -8.186 -7.306 1.00 0.00 H new ATOM 102 N ALA A 3 -12.180 -8.455 -6.035 1.00 0.00 N ATOM 103 CA ALA A 3 -11.018 -7.913 -6.739 1.00 0.00 C ATOM 104 C ALA A 3 -11.359 -6.769 -7.718 1.00 0.00 C ATOM 105 O ALA A 3 -10.536 -5.882 -7.916 1.00 0.00 O ATOM 106 CB ALA A 3 -10.277 -9.063 -7.432 1.00 0.00 C ATOM 0 H ALA A 3 -12.319 -9.455 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.367 -7.449 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.408 -8.670 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.951 -9.788 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.944 -9.550 -8.143 1.00 0.00 H new ATOM 112 N LYS A 4 -12.575 -6.718 -8.291 1.00 0.00 N ATOM 113 CA LYS A 4 -13.010 -5.568 -9.113 1.00 0.00 C ATOM 114 C LYS A 4 -13.591 -4.383 -8.343 1.00 0.00 C ATOM 115 O LYS A 4 -13.498 -3.257 -8.825 1.00 0.00 O ATOM 116 CB LYS A 4 -13.893 -6.006 -10.297 1.00 0.00 C ATOM 117 CG LYS A 4 -13.009 -6.317 -11.518 1.00 0.00 C ATOM 118 CD LYS A 4 -13.835 -6.621 -12.777 1.00 0.00 C ATOM 119 CE LYS A 4 -12.940 -6.758 -14.019 1.00 0.00 C ATOM 120 NZ LYS A 4 -12.388 -5.449 -14.468 1.00 0.00 N ATOM 0 H LYS A 4 -13.274 -7.456 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.083 -5.166 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.474 -6.887 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.605 -5.218 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.353 -5.469 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.369 -7.170 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.398 -7.542 -12.630 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.562 -5.825 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.118 -7.439 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.515 -7.204 -14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.876 -5.577 -15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.166 -4.774 -14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.736 -5.081 -13.746 1.00 0.00 H new ATOM 134 N LYS A 5 -14.090 -4.604 -7.132 1.00 0.00 N ATOM 135 CA LYS A 5 -14.435 -3.528 -6.183 1.00 0.00 C ATOM 136 C LYS A 5 -13.169 -2.828 -5.698 1.00 0.00 C ATOM 137 O LYS A 5 -13.041 -1.618 -5.855 1.00 0.00 O ATOM 138 CB LYS A 5 -15.238 -4.078 -4.997 1.00 0.00 C ATOM 139 CG LYS A 5 -16.735 -4.268 -5.298 1.00 0.00 C ATOM 140 CD LYS A 5 -17.644 -3.262 -4.561 1.00 0.00 C ATOM 141 CE LYS A 5 -18.576 -3.937 -3.542 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.848 -4.617 -2.441 1.00 0.00 N ATOM 0 H LYS A 5 -14.272 -5.540 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.060 -2.800 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.813 -5.035 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.130 -3.400 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.896 -4.172 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.028 -5.281 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.024 -2.527 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.244 -2.719 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.244 -3.187 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.202 -4.665 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.525 -5.136 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.157 -5.283 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.352 -3.909 -1.863 1.00 0.00 H new ATOM 156 N GLY A 6 -12.216 -3.596 -5.166 1.00 0.00 N ATOM 157 CA GLY A 6 -10.914 -3.071 -4.753 1.00 0.00 C ATOM 158 C GLY A 6 -10.171 -2.362 -5.886 1.00 0.00 C ATOM 159 O GLY A 6 -9.595 -1.301 -5.660 1.00 0.00 O ATOM 0 H GLY A 6 -12.325 -4.598 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.054 -2.375 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.300 -3.890 -4.379 1.00 0.00 H new ATOM 163 N ALA A 7 -10.253 -2.893 -7.114 1.00 0.00 N ATOM 164 CA ALA A 7 -9.765 -2.219 -8.315 1.00 0.00 C ATOM 165 C ALA A 7 -10.411 -0.841 -8.510 1.00 0.00 C ATOM 166 O ALA A 7 -9.695 0.155 -8.577 1.00 0.00 O ATOM 167 CB ALA A 7 -9.979 -3.092 -9.561 1.00 0.00 C ATOM 0 H ALA A 7 -10.663 -3.809 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.695 -2.062 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.607 -2.567 -10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.439 -4.032 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.043 -3.297 -9.683 1.00 0.00 H new ATOM 173 N THR A 8 -11.743 -0.755 -8.641 1.00 0.00 N ATOM 174 CA THR A 8 -12.409 0.534 -8.920 1.00 0.00 C ATOM 175 C THR A 8 -12.282 1.566 -7.788 1.00 0.00 C ATOM 176 O THR A 8 -12.406 2.758 -8.057 1.00 0.00 O ATOM 177 CB THR A 8 -13.867 0.336 -9.361 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.290 1.471 -10.071 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.873 0.087 -8.245 1.00 0.00 C ATOM 0 H THR A 8 -12.377 -1.550 -8.560 1.00 0.00 H new ATOM 0 HA THR A 8 -11.863 0.967 -9.758 1.00 0.00 H new ATOM 0 HB THR A 8 -13.852 -0.572 -9.964 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.756 2.246 -9.798 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.868 -0.038 -8.673 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.596 -0.816 -7.700 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.876 0.936 -7.562 1.00 0.00 H new ATOM 187 N LEU A 9 -11.977 1.130 -6.560 1.00 0.00 N ATOM 188 CA LEU A 9 -11.527 1.987 -5.462 1.00 0.00 C ATOM 189 C LEU A 9 -10.101 2.466 -5.737 1.00 0.00 C ATOM 190 O LEU A 9 -9.859 3.648 -5.969 1.00 0.00 O ATOM 191 CB LEU A 9 -11.584 1.217 -4.128 1.00 0.00 C ATOM 192 CG LEU A 9 -12.998 1.155 -3.541 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.090 0.033 -2.507 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.378 2.468 -2.849 1.00 0.00 C ATOM 0 H LEU A 9 -12.039 0.146 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.186 2.852 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.214 0.203 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.917 1.694 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.682 0.973 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.099 -0.002 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.859 -0.920 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.378 0.220 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.387 2.387 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.677 2.668 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.340 3.284 -3.571 1.00 0.00 H new ATOM 206 N PHE A 10 -9.143 1.535 -5.732 1.00 0.00 N ATOM 207 CA PHE A 10 -7.708 1.781 -5.906 1.00 0.00 C ATOM 208 C PHE A 10 -7.407 2.727 -7.074 1.00 0.00 C ATOM 209 O PHE A 10 -6.589 3.643 -6.928 1.00 0.00 O ATOM 210 CB PHE A 10 -6.974 0.443 -6.092 1.00 0.00 C ATOM 211 CG PHE A 10 -5.502 0.591 -6.430 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.547 0.717 -5.405 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.082 0.583 -7.774 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.190 0.904 -5.728 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.718 0.719 -8.089 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.775 0.907 -7.067 1.00 0.00 C ATOM 0 H PHE A 10 -9.355 0.546 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.348 2.277 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.070 -0.143 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.464 -0.122 -6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.855 0.670 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.809 0.472 -8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.465 1.046 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.396 0.679 -9.119 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.733 1.053 -7.311 1.00 0.00 H new ATOM 226 N LYS A 11 -8.081 2.530 -8.215 1.00 0.00 N ATOM 227 CA LYS A 11 -7.829 3.272 -9.463 1.00 0.00 C ATOM 228 C LYS A 11 -8.063 4.788 -9.357 1.00 0.00 C ATOM 229 O LYS A 11 -7.529 5.531 -10.176 1.00 0.00 O ATOM 230 CB LYS A 11 -8.631 2.642 -10.619 1.00 0.00 C ATOM 231 CG LYS A 11 -7.881 2.780 -11.952 1.00 0.00 C ATOM 232 CD LYS A 11 -8.636 2.127 -13.120 1.00 0.00 C ATOM 233 CE LYS A 11 -7.717 1.877 -14.326 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.075 3.118 -14.830 1.00 0.00 N ATOM 0 H LYS A 11 -8.828 1.841 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.763 3.179 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.813 1.588 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.606 3.124 -10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.724 3.836 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.895 2.324 -11.860 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.068 1.182 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.464 2.768 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.944 1.162 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.296 1.421 -15.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.535 2.904 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.807 3.824 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.433 3.496 -14.105 1.00 0.00 H new ATOM 248 N THR A 12 -8.793 5.251 -8.335 1.00 0.00 N ATOM 249 CA THR A 12 -8.981 6.677 -7.992 1.00 0.00 C ATOM 250 C THR A 12 -8.548 7.050 -6.579 1.00 0.00 C ATOM 251 O THR A 12 -8.237 8.214 -6.337 1.00 0.00 O ATOM 252 CB THR A 12 -10.428 7.131 -8.233 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.320 6.365 -7.458 1.00 0.00 O ATOM 254 CG2 THR A 12 -10.856 6.981 -9.694 1.00 0.00 C ATOM 0 H THR A 12 -9.288 4.626 -7.699 1.00 0.00 H new ATOM 0 HA THR A 12 -8.313 7.210 -8.669 1.00 0.00 H new ATOM 0 HB THR A 12 -10.461 8.184 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.238 6.667 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.887 7.316 -9.807 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.206 7.585 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.780 5.935 -9.990 1.00 0.00 H new ATOM 262 N ARG A 13 -8.421 6.083 -5.662 1.00 0.00 N ATOM 263 CA ARG A 13 -7.927 6.331 -4.304 1.00 0.00 C ATOM 264 C ARG A 13 -6.398 6.439 -4.234 1.00 0.00 C ATOM 265 O ARG A 13 -5.876 7.329 -3.566 1.00 0.00 O ATOM 266 CB ARG A 13 -8.408 5.212 -3.357 1.00 0.00 C ATOM 267 CG ARG A 13 -9.926 5.111 -3.119 1.00 0.00 C ATOM 268 CD ARG A 13 -10.487 6.241 -2.251 1.00 0.00 C ATOM 269 NE ARG A 13 -11.624 5.768 -1.435 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.420 6.488 -0.673 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.415 7.795 -0.691 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.220 5.891 0.159 1.00 0.00 N ATOM 0 H ARG A 13 -8.658 5.107 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.333 7.293 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.062 4.258 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.921 5.351 -2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.437 5.116 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.148 4.155 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.703 6.627 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.809 7.066 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.815 4.766 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.778 8.294 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.048 8.316 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.228 4.873 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.840 6.441 0.753 1.00 0.00 H new ATOM 286 N CYS A 14 -5.686 5.509 -4.872 1.00 0.00 N ATOM 287 CA CYS A 14 -4.269 5.224 -4.609 1.00 0.00 C ATOM 288 C CYS A 14 -3.394 5.394 -5.855 1.00 0.00 C ATOM 289 O CYS A 14 -2.238 5.800 -5.736 1.00 0.00 O ATOM 290 CB CYS A 14 -4.126 3.775 -4.137 1.00 0.00 C ATOM 291 SG CYS A 14 -5.220 3.171 -2.804 1.00 0.00 S ATOM 0 H CYS A 14 -6.084 4.919 -5.602 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.937 5.934 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.274 3.130 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.096 3.635 -3.808 1.00 0.00 H new ATOM 296 N LEU A 15 -3.932 5.145 -7.057 1.00 0.00 N ATOM 297 CA LEU A 15 -3.180 5.232 -8.315 1.00 0.00 C ATOM 298 C LEU A 15 -2.606 6.642 -8.605 1.00 0.00 C ATOM 299 O LEU A 15 -1.617 6.789 -9.324 1.00 0.00 O ATOM 300 CB LEU A 15 -4.070 4.723 -9.460 1.00 0.00 C ATOM 301 CG LEU A 15 -3.270 4.354 -10.725 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.687 2.945 -10.651 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.180 4.405 -11.952 1.00 0.00 C ATOM 0 H LEU A 15 -4.908 4.876 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.299 4.597 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.626 3.849 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.803 5.489 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.457 5.076 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.133 2.732 -11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.016 2.873 -9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.495 2.222 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.607 4.143 -12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.999 3.697 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.584 5.411 -12.064 1.00 0.00 H new ATOM 315 N GLN A 16 -3.141 7.691 -7.971 1.00 0.00 N ATOM 316 CA GLN A 16 -2.518 9.018 -7.967 1.00 0.00 C ATOM 317 C GLN A 16 -1.034 8.990 -7.531 1.00 0.00 C ATOM 318 O GLN A 16 -0.212 9.703 -8.112 1.00 0.00 O ATOM 319 CB GLN A 16 -3.364 9.991 -7.132 1.00 0.00 C ATOM 320 CG GLN A 16 -3.506 9.609 -5.646 1.00 0.00 C ATOM 321 CD GLN A 16 -4.395 10.589 -4.882 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.438 11.779 -5.147 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.148 10.140 -3.903 1.00 0.00 N ATOM 0 H GLN A 16 -4.015 7.644 -7.448 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.497 9.380 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.920 10.985 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.359 10.057 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.924 8.605 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.519 9.580 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.132 9.149 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.749 10.782 -3.386 1.00 0.00 H new ATOM 332 N CYS A 17 -0.659 8.084 -6.620 1.00 0.00 N ATOM 333 CA CYS A 17 0.684 7.966 -6.045 1.00 0.00 C ATOM 334 C CYS A 17 1.361 6.608 -6.265 1.00 0.00 C ATOM 335 O CYS A 17 2.524 6.475 -5.898 1.00 0.00 O ATOM 336 CB CYS A 17 0.630 8.238 -4.546 1.00 0.00 C ATOM 337 SG CYS A 17 0.177 9.924 -4.052 1.00 0.00 S ATOM 0 H CYS A 17 -1.307 7.388 -6.250 1.00 0.00 H new ATOM 0 HA CYS A 17 1.286 8.706 -6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.084 7.547 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.607 8.007 -4.121 1.00 0.00 H new ATOM 342 N HIS A 18 0.681 5.615 -6.852 1.00 0.00 N ATOM 343 CA HIS A 18 1.185 4.248 -7.043 1.00 0.00 C ATOM 344 C HIS A 18 0.856 3.658 -8.421 1.00 0.00 C ATOM 345 O HIS A 18 0.031 4.193 -9.157 1.00 0.00 O ATOM 346 CB HIS A 18 0.580 3.357 -5.951 1.00 0.00 C ATOM 347 CG HIS A 18 1.266 3.524 -4.630 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.494 3.006 -4.297 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.787 4.212 -3.550 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.755 3.378 -3.039 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.739 4.108 -2.541 1.00 0.00 N ATOM 0 H HIS A 18 -0.262 5.744 -7.218 1.00 0.00 H new ATOM 0 HA HIS A 18 2.272 4.288 -6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.478 3.592 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.644 2.314 -6.261 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.095 2.442 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.154 4.738 -3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.655 3.128 -2.498 1.00 0.00 H new ATOM 359 N THR A 19 1.468 2.515 -8.737 1.00 0.00 N ATOM 360 CA THR A 19 1.176 1.670 -9.909 1.00 0.00 C ATOM 361 C THR A 19 1.044 0.195 -9.500 1.00 0.00 C ATOM 362 O THR A 19 1.574 -0.198 -8.457 1.00 0.00 O ATOM 363 CB THR A 19 2.253 1.847 -10.999 1.00 0.00 C ATOM 364 OG1 THR A 19 3.542 1.496 -10.538 1.00 0.00 O ATOM 365 CG2 THR A 19 2.331 3.295 -11.492 1.00 0.00 C ATOM 0 H THR A 19 2.216 2.131 -8.160 1.00 0.00 H new ATOM 0 HA THR A 19 0.222 1.990 -10.327 1.00 0.00 H new ATOM 0 HB THR A 19 1.951 1.183 -11.809 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.132 2.276 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.101 3.377 -12.259 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.369 3.589 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.579 3.951 -10.657 1.00 0.00 H new ATOM 373 N VAL A 20 0.367 -0.623 -10.317 1.00 0.00 N ATOM 374 CA VAL A 20 0.389 -2.100 -10.224 1.00 0.00 C ATOM 375 C VAL A 20 0.706 -2.770 -11.557 1.00 0.00 C ATOM 376 O VAL A 20 1.308 -3.841 -11.559 1.00 0.00 O ATOM 377 CB VAL A 20 -0.904 -2.724 -9.666 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.218 -2.238 -8.251 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.139 -2.504 -10.545 1.00 0.00 C ATOM 0 H VAL A 20 -0.222 -0.278 -11.075 1.00 0.00 H new ATOM 0 HA VAL A 20 1.191 -2.291 -9.511 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.692 -3.793 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.138 -2.706 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.399 -2.506 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.341 -1.155 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.005 -2.975 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.322 -1.435 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.970 -2.945 -11.527 1.00 0.00 H new ATOM 389 N GLU A 21 0.352 -2.160 -12.694 1.00 0.00 N ATOM 390 CA GLU A 21 0.857 -2.630 -13.980 1.00 0.00 C ATOM 391 C GLU A 21 2.379 -2.413 -14.082 1.00 0.00 C ATOM 392 O GLU A 21 2.997 -1.627 -13.354 1.00 0.00 O ATOM 393 CB GLU A 21 0.105 -1.991 -15.158 1.00 0.00 C ATOM 394 CG GLU A 21 -1.423 -2.222 -15.113 1.00 0.00 C ATOM 395 CD GLU A 21 -2.221 -0.940 -14.816 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.919 -0.315 -13.768 1.00 0.00 O ATOM 397 OE2 GLU A 21 -3.131 -0.602 -15.614 1.00 0.00 O ATOM 0 H GLU A 21 -0.271 -1.354 -12.747 1.00 0.00 H new ATOM 0 HA GLU A 21 0.671 -3.702 -14.039 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.302 -0.919 -15.166 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.498 -2.394 -16.091 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.750 -2.633 -16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.649 -2.968 -14.351 1.00 0.00 H new ATOM 404 N LYS A 22 3.003 -3.164 -14.990 1.00 0.00 N ATOM 405 CA LYS A 22 4.453 -3.157 -15.212 1.00 0.00 C ATOM 406 C LYS A 22 4.874 -1.924 -16.019 1.00 0.00 C ATOM 407 O LYS A 22 4.066 -1.336 -16.730 1.00 0.00 O ATOM 408 CB LYS A 22 4.830 -4.484 -15.894 1.00 0.00 C ATOM 409 CG LYS A 22 6.024 -5.186 -15.231 1.00 0.00 C ATOM 410 CD LYS A 22 5.870 -6.708 -15.373 1.00 0.00 C ATOM 411 CE LYS A 22 6.860 -7.481 -14.491 1.00 0.00 C ATOM 412 NZ LYS A 22 6.336 -7.640 -13.108 1.00 0.00 N ATOM 0 H LYS A 22 2.506 -3.808 -15.605 1.00 0.00 H new ATOM 0 HA LYS A 22 4.994 -3.085 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.969 -5.152 -15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.064 -4.293 -16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.955 -4.859 -15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.080 -4.913 -14.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.852 -6.994 -15.108 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.019 -6.990 -16.415 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.050 -8.462 -14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.814 -6.955 -14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.127 -7.628 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.684 -6.859 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.829 -8.545 -13.031 1.00 0.00 H new ATOM 426 N GLY A 23 6.145 -1.536 -15.935 1.00 0.00 N ATOM 427 CA GLY A 23 6.672 -0.330 -16.592 1.00 0.00 C ATOM 428 C GLY A 23 6.271 0.985 -15.906 1.00 0.00 C ATOM 429 O GLY A 23 7.124 1.849 -15.747 1.00 0.00 O ATOM 0 H GLY A 23 6.848 -2.051 -15.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.760 -0.393 -16.625 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.323 -0.310 -17.624 1.00 0.00 H new ATOM 433 N GLY A 24 5.013 1.122 -15.466 1.00 0.00 N ATOM 434 CA GLY A 24 4.482 2.241 -14.672 1.00 0.00 C ATOM 435 C GLY A 24 5.399 2.662 -13.506 1.00 0.00 C ATOM 436 O GLY A 24 5.409 1.965 -12.488 1.00 0.00 O ATOM 0 H GLY A 24 4.300 0.420 -15.664 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.325 3.098 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.507 1.962 -14.273 1.00 0.00 H new ATOM 440 N PRO A 25 6.177 3.757 -13.628 1.00 0.00 N ATOM 441 CA PRO A 25 7.320 4.021 -12.752 1.00 0.00 C ATOM 442 C PRO A 25 6.931 4.513 -11.350 1.00 0.00 C ATOM 443 O PRO A 25 5.771 4.810 -11.064 1.00 0.00 O ATOM 444 CB PRO A 25 8.161 5.056 -13.511 1.00 0.00 C ATOM 445 CG PRO A 25 7.115 5.838 -14.304 1.00 0.00 C ATOM 446 CD PRO A 25 6.118 4.749 -14.695 1.00 0.00 C ATOM 0 HA PRO A 25 7.869 3.101 -12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.716 5.701 -12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.891 4.580 -14.166 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.649 6.618 -13.702 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.548 6.325 -15.178 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.112 5.157 -14.795 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.379 4.306 -15.656 1.00 0.00 H new ATOM 454 N HIS A 26 7.933 4.627 -10.471 1.00 0.00 N ATOM 455 CA HIS A 26 7.801 5.214 -9.137 1.00 0.00 C ATOM 456 C HIS A 26 7.261 6.656 -9.212 1.00 0.00 C ATOM 457 O HIS A 26 7.944 7.572 -9.668 1.00 0.00 O ATOM 458 CB HIS A 26 9.152 5.169 -8.408 1.00 0.00 C ATOM 459 CG HIS A 26 9.805 3.806 -8.339 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.202 2.626 -7.970 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.120 3.532 -8.609 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.141 1.664 -8.001 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.317 2.165 -8.392 1.00 0.00 N ATOM 0 H HIS A 26 8.879 4.306 -10.674 1.00 0.00 H new ATOM 0 HA HIS A 26 7.079 4.625 -8.571 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.837 5.857 -8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.010 5.538 -7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.868 4.242 -8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.969 0.629 -7.745 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.189 1.650 -8.509 1.00 0.00 H new ATOM 471 N LYS A 27 6.001 6.829 -8.805 1.00 0.00 N ATOM 472 CA LYS A 27 5.314 8.104 -8.571 1.00 0.00 C ATOM 473 C LYS A 27 5.811 8.723 -7.244 1.00 0.00 C ATOM 474 O LYS A 27 6.950 8.516 -6.833 1.00 0.00 O ATOM 475 CB LYS A 27 3.797 7.802 -8.617 1.00 0.00 C ATOM 476 CG LYS A 27 3.240 7.692 -10.043 1.00 0.00 C ATOM 477 CD LYS A 27 1.764 7.246 -10.005 1.00 0.00 C ATOM 478 CE LYS A 27 0.882 7.945 -11.045 1.00 0.00 C ATOM 479 NZ LYS A 27 0.714 9.388 -10.730 1.00 0.00 N ATOM 0 H LYS A 27 5.393 6.031 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 27 5.530 8.857 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.603 6.870 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.261 8.588 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.324 8.654 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.829 6.977 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.715 6.169 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.361 7.439 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.327 7.836 -12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.095 7.462 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.017 9.795 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.427 9.495 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.614 9.885 -10.886 1.00 0.00 H new ATOM 493 N VAL A 28 4.950 9.488 -6.561 1.00 0.00 N ATOM 494 CA VAL A 28 5.138 9.929 -5.168 1.00 0.00 C ATOM 495 C VAL A 28 5.542 8.745 -4.281 1.00 0.00 C ATOM 496 O VAL A 28 6.490 8.862 -3.511 1.00 0.00 O ATOM 497 CB VAL A 28 3.859 10.593 -4.616 1.00 0.00 C ATOM 498 CG1 VAL A 28 4.109 11.240 -3.251 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.309 11.676 -5.555 1.00 0.00 C ATOM 0 H VAL A 28 4.080 9.828 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 28 5.938 10.669 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 28 3.129 9.789 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.188 11.698 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.437 10.479 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.881 12.004 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.409 12.112 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.060 12.454 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.067 11.232 -6.521 1.00 0.00 H new ATOM 509 N GLY A 29 4.861 7.602 -4.435 1.00 0.00 N ATOM 510 CA GLY A 29 5.274 6.297 -3.927 1.00 0.00 C ATOM 511 C GLY A 29 5.598 5.288 -5.048 1.00 0.00 C ATOM 512 O GLY A 29 5.432 5.573 -6.239 1.00 0.00 O ATOM 0 H GLY A 29 3.974 7.565 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.152 6.421 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.482 5.891 -3.298 1.00 0.00 H new ATOM 516 N PRO A 30 6.084 4.089 -4.684 1.00 0.00 N ATOM 517 CA PRO A 30 6.604 3.091 -5.627 1.00 0.00 C ATOM 518 C PRO A 30 5.530 2.312 -6.426 1.00 0.00 C ATOM 519 O PRO A 30 4.354 2.672 -6.484 1.00 0.00 O ATOM 520 CB PRO A 30 7.509 2.198 -4.762 1.00 0.00 C ATOM 521 CG PRO A 30 6.856 2.260 -3.386 1.00 0.00 C ATOM 522 CD PRO A 30 6.370 3.698 -3.311 1.00 0.00 C ATOM 0 HA PRO A 30 7.147 3.569 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.548 1.177 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.534 2.569 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.034 1.550 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.565 2.030 -2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.480 3.778 -2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.128 4.345 -2.869 1.00 0.00 H new ATOM 530 N ASN A 31 5.962 1.243 -7.104 1.00 0.00 N ATOM 531 CA ASN A 31 5.081 0.212 -7.656 1.00 0.00 C ATOM 532 C ASN A 31 4.590 -0.726 -6.530 1.00 0.00 C ATOM 533 O ASN A 31 5.237 -0.814 -5.489 1.00 0.00 O ATOM 534 CB ASN A 31 5.901 -0.538 -8.722 1.00 0.00 C ATOM 535 CG ASN A 31 5.166 -1.723 -9.316 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.390 -2.856 -8.929 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.259 -1.503 -10.238 1.00 0.00 N ATOM 0 H ASN A 31 6.950 1.069 -7.287 1.00 0.00 H new ATOM 0 HA ASN A 31 4.186 0.639 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.166 0.155 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.834 -0.883 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.736 -2.283 -10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.077 -0.552 -10.557 1.00 0.00 H new ATOM 544 N LEU A 32 3.492 -1.452 -6.750 1.00 0.00 N ATOM 545 CA LEU A 32 2.856 -2.369 -5.801 1.00 0.00 C ATOM 546 C LEU A 32 2.598 -3.765 -6.417 1.00 0.00 C ATOM 547 O LEU A 32 1.528 -4.338 -6.240 1.00 0.00 O ATOM 548 CB LEU A 32 1.566 -1.721 -5.252 1.00 0.00 C ATOM 549 CG LEU A 32 1.720 -0.389 -4.500 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.333 0.114 -4.080 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.578 -0.511 -3.239 1.00 0.00 C ATOM 0 H LEU A 32 2.997 -1.414 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 32 3.540 -2.542 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.885 -1.561 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.087 -2.435 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 32 2.216 0.303 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.435 1.059 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.284 0.263 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.139 -0.622 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.650 0.462 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.120 -1.226 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.576 -0.856 -3.510 1.00 0.00 H new ATOM 563 N HIS A 33 3.578 -4.328 -7.134 1.00 0.00 N ATOM 564 CA HIS A 33 3.643 -5.774 -7.424 1.00 0.00 C ATOM 565 C HIS A 33 3.861 -6.607 -6.135 1.00 0.00 C ATOM 566 O HIS A 33 3.003 -6.677 -5.262 1.00 0.00 O ATOM 567 CB HIS A 33 4.734 -6.047 -8.486 1.00 0.00 C ATOM 568 CG HIS A 33 4.397 -5.731 -9.917 1.00 0.00 C ATOM 569 ND1 HIS A 33 3.210 -6.004 -10.557 1.00 0.00 N ATOM 570 CD2 HIS A 33 5.306 -5.356 -10.869 1.00 0.00 C ATOM 571 CE1 HIS A 33 3.402 -5.798 -11.870 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.682 -5.455 -12.115 1.00 0.00 N ATOM 0 H HIS A 33 4.352 -3.796 -7.532 1.00 0.00 H new ATOM 0 HA HIS A 33 2.684 -6.092 -7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.621 -5.474 -8.214 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.005 -7.101 -8.428 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.342 -6.308 -10.115 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.323 -5.040 -10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.636 -5.894 -12.625 1.00 0.00 H new ATOM 580 N GLY A 34 5.018 -7.261 -5.997 1.00 0.00 N ATOM 581 CA GLY A 34 5.293 -8.298 -4.997 1.00 0.00 C ATOM 582 C GLY A 34 5.646 -7.750 -3.621 1.00 0.00 C ATOM 583 O GLY A 34 6.657 -8.150 -3.045 1.00 0.00 O ATOM 0 H GLY A 34 5.819 -7.076 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.419 -8.943 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.114 -8.921 -5.351 1.00 0.00 H new ATOM 587 N ILE A 35 4.846 -6.816 -3.101 1.00 0.00 N ATOM 588 CA ILE A 35 5.047 -6.256 -1.763 1.00 0.00 C ATOM 589 C ILE A 35 4.731 -7.245 -0.637 1.00 0.00 C ATOM 590 O ILE A 35 5.403 -7.221 0.391 1.00 0.00 O ATOM 591 CB ILE A 35 4.323 -4.904 -1.567 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.787 -4.948 -1.427 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.760 -3.888 -2.635 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.970 -5.436 -2.626 1.00 0.00 C ATOM 0 H ILE A 35 4.042 -6.428 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 35 6.116 -6.054 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 35 4.651 -4.577 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.547 -5.587 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.446 -3.944 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.237 -2.945 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.835 -3.723 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.518 -4.274 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.909 -5.411 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.158 -4.788 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.261 -6.457 -2.873 1.00 0.00 H new ATOM 606 N PHE A 36 3.730 -8.112 -0.813 1.00 0.00 N ATOM 607 CA PHE A 36 3.339 -9.125 0.161 1.00 0.00 C ATOM 608 C PHE A 36 4.479 -10.124 0.390 1.00 0.00 C ATOM 609 O PHE A 36 4.975 -10.748 -0.545 1.00 0.00 O ATOM 610 CB PHE A 36 2.038 -9.811 -0.272 1.00 0.00 C ATOM 611 CG PHE A 36 0.825 -8.905 -0.155 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.279 -8.627 1.115 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.263 -8.306 -1.298 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.817 -7.758 1.241 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.835 -7.435 -1.172 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.377 -7.164 0.095 1.00 0.00 C ATOM 0 H PHE A 36 3.158 -8.126 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 36 3.144 -8.641 1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.136 -10.147 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.881 -10.700 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.706 -9.085 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.675 -8.515 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.230 -7.546 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.261 -6.974 -2.051 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.223 -6.500 0.190 1.00 0.00 H new ATOM 626 N GLY A 37 4.930 -10.212 1.642 1.00 0.00 N ATOM 627 CA GLY A 37 6.080 -11.013 2.089 1.00 0.00 C ATOM 628 C GLY A 37 7.440 -10.294 2.060 1.00 0.00 C ATOM 629 O GLY A 37 8.428 -10.818 2.577 1.00 0.00 O ATOM 0 H GLY A 37 4.487 -9.706 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.890 -11.353 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.146 -11.903 1.463 1.00 0.00 H new ATOM 633 N ARG A 38 7.523 -9.089 1.479 1.00 0.00 N ATOM 634 CA ARG A 38 8.688 -8.181 1.539 1.00 0.00 C ATOM 635 C ARG A 38 8.576 -7.228 2.743 1.00 0.00 C ATOM 636 O ARG A 38 7.614 -7.293 3.504 1.00 0.00 O ATOM 637 CB ARG A 38 8.796 -7.426 0.196 1.00 0.00 C ATOM 638 CG ARG A 38 9.865 -7.941 -0.780 1.00 0.00 C ATOM 639 CD ARG A 38 11.226 -7.345 -0.406 1.00 0.00 C ATOM 640 NE ARG A 38 12.307 -7.697 -1.353 1.00 0.00 N ATOM 641 CZ ARG A 38 13.290 -6.907 -1.774 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.412 -5.657 -1.427 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.222 -7.364 -2.556 1.00 0.00 N ATOM 0 H ARG A 38 6.754 -8.701 0.933 1.00 0.00 H new ATOM 0 HA ARG A 38 9.604 -8.753 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.827 -7.469 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.000 -6.376 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.911 -9.029 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.603 -7.665 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.137 -6.260 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.502 -7.688 0.591 1.00 0.00 H new ATOM 0 HE ARG A 38 12.297 -8.648 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.730 -5.233 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.190 -5.102 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.205 -8.339 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.971 -6.747 -2.872 1.00 0.00 H new ATOM 657 N HIS A 39 9.584 -6.379 2.951 1.00 0.00 N ATOM 658 CA HIS A 39 9.663 -5.475 4.108 1.00 0.00 C ATOM 659 C HIS A 39 9.650 -3.999 3.679 1.00 0.00 C ATOM 660 O HIS A 39 10.084 -3.685 2.574 1.00 0.00 O ATOM 661 CB HIS A 39 10.896 -5.833 4.954 1.00 0.00 C ATOM 662 CG HIS A 39 10.786 -7.193 5.606 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.175 -8.403 5.066 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.224 -7.449 6.829 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.837 -9.368 5.937 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.270 -8.832 7.024 1.00 0.00 N ATOM 0 H HIS A 39 10.378 -6.296 2.316 1.00 0.00 H new ATOM 0 HA HIS A 39 8.776 -5.610 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.784 -5.809 4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.034 -5.076 5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.821 -6.718 7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.999 -10.424 5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.934 -9.339 7.843 1.00 0.00 H new ATOM 674 N SER A 40 9.156 -3.112 4.544 1.00 0.00 N ATOM 675 CA SER A 40 8.827 -1.707 4.271 1.00 0.00 C ATOM 676 C SER A 40 9.954 -0.851 3.653 1.00 0.00 C ATOM 677 O SER A 40 10.809 -0.319 4.358 1.00 0.00 O ATOM 678 CB SER A 40 8.272 -1.090 5.560 1.00 0.00 C ATOM 679 OG SER A 40 9.161 -1.284 6.650 1.00 0.00 O ATOM 0 H SER A 40 8.962 -3.368 5.512 1.00 0.00 H new ATOM 0 HA SER A 40 8.079 -1.707 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.103 -0.023 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.305 -1.537 5.793 1.00 0.00 H new ATOM 0 HG SER A 40 9.667 -0.460 6.810 1.00 0.00 H new ATOM 685 N GLY A 41 9.912 -0.669 2.332 1.00 0.00 N ATOM 686 CA GLY A 41 10.914 0.066 1.550 1.00 0.00 C ATOM 687 C GLY A 41 11.672 -0.816 0.557 1.00 0.00 C ATOM 688 O GLY A 41 12.765 -1.289 0.860 1.00 0.00 O ATOM 0 H GLY A 41 9.156 -1.040 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.421 0.872 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.627 0.530 2.231 1.00 0.00 H new ATOM 692 N GLN A 42 11.088 -1.075 -0.614 1.00 0.00 N ATOM 693 CA GLN A 42 11.517 -2.184 -1.486 1.00 0.00 C ATOM 694 C GLN A 42 12.159 -1.798 -2.819 1.00 0.00 C ATOM 695 O GLN A 42 12.863 -2.612 -3.415 1.00 0.00 O ATOM 696 CB GLN A 42 10.300 -3.036 -1.802 1.00 0.00 C ATOM 697 CG GLN A 42 9.638 -3.572 -0.541 1.00 0.00 C ATOM 698 CD GLN A 42 8.337 -4.215 -0.926 1.00 0.00 C ATOM 699 OE1 GLN A 42 8.269 -5.067 -1.797 1.00 0.00 O ATOM 700 NE2 GLN A 42 7.270 -3.821 -0.287 1.00 0.00 N ATOM 0 H GLN A 42 10.310 -0.531 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 42 12.295 -2.697 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.579 -2.444 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.596 -3.870 -2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.288 -4.296 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.466 -2.764 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.344 -3.108 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.362 -4.226 -0.513 1.00 0.00 H new ATOM 709 N ALA A 43 11.908 -0.586 -3.308 1.00 0.00 N ATOM 710 CA ALA A 43 12.521 -0.059 -4.520 1.00 0.00 C ATOM 711 C ALA A 43 13.982 0.351 -4.252 1.00 0.00 C ATOM 712 O ALA A 43 14.275 1.513 -3.987 1.00 0.00 O ATOM 713 CB ALA A 43 11.654 1.082 -5.059 1.00 0.00 C ATOM 0 H ALA A 43 11.262 0.067 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 43 12.567 -0.827 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.104 1.484 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.656 0.705 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.583 1.870 -4.310 1.00 0.00 H new ATOM 719 N GLU A 44 14.897 -0.612 -4.344 1.00 0.00 N ATOM 720 CA GLU A 44 16.338 -0.537 -4.024 1.00 0.00 C ATOM 721 C GLU A 44 17.151 0.548 -4.776 1.00 0.00 C ATOM 722 O GLU A 44 18.316 0.766 -4.456 1.00 0.00 O ATOM 723 CB GLU A 44 16.928 -1.950 -4.223 1.00 0.00 C ATOM 724 CG GLU A 44 16.510 -2.891 -3.075 1.00 0.00 C ATOM 725 CD GLU A 44 16.468 -4.383 -3.448 1.00 0.00 C ATOM 726 OE1 GLU A 44 17.129 -4.814 -4.413 1.00 0.00 O ATOM 727 OE2 GLU A 44 15.741 -5.127 -2.744 1.00 0.00 O ATOM 0 H GLU A 44 14.638 -1.543 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 44 16.423 -0.206 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.589 -2.359 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.015 -1.890 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.203 -2.758 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.524 -2.592 -2.719 1.00 0.00 H new ATOM 734 N GLY A 45 16.540 1.273 -5.721 1.00 0.00 N ATOM 735 CA GLY A 45 17.095 2.451 -6.405 1.00 0.00 C ATOM 736 C GLY A 45 16.343 3.766 -6.132 1.00 0.00 C ATOM 737 O GLY A 45 16.563 4.747 -6.838 1.00 0.00 O ATOM 0 H GLY A 45 15.601 1.045 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 45 18.135 2.573 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.095 2.264 -7.479 1.00 0.00 H new ATOM 741 N TYR A 46 15.435 3.806 -5.150 1.00 0.00 N ATOM 742 CA TYR A 46 14.526 4.921 -4.864 1.00 0.00 C ATOM 743 C TYR A 46 14.459 5.219 -3.352 1.00 0.00 C ATOM 744 O TYR A 46 14.112 4.363 -2.543 1.00 0.00 O ATOM 745 CB TYR A 46 13.148 4.573 -5.445 1.00 0.00 C ATOM 746 CG TYR A 46 12.151 5.712 -5.397 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.518 6.025 -4.180 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.842 6.440 -6.561 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.532 7.025 -4.137 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.853 7.443 -6.520 1.00 0.00 C ATOM 751 CZ TYR A 46 10.185 7.724 -5.312 1.00 0.00 C ATOM 752 OH TYR A 46 9.230 8.684 -5.262 1.00 0.00 O ATOM 0 H TYR A 46 15.309 3.027 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 46 14.895 5.834 -5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.272 4.256 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.739 3.723 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.790 5.496 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.362 6.230 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.040 7.258 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.607 7.996 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 46 8.513 8.465 -5.893 1.00 0.00 H new ATOM 762 N SER A 47 14.788 6.442 -2.936 1.00 0.00 N ATOM 763 CA SER A 47 15.045 6.797 -1.527 1.00 0.00 C ATOM 764 C SER A 47 13.781 7.101 -0.703 1.00 0.00 C ATOM 765 O SER A 47 13.273 8.224 -0.756 1.00 0.00 O ATOM 766 CB SER A 47 16.000 7.994 -1.470 1.00 0.00 C ATOM 767 OG SER A 47 17.182 7.686 -2.177 1.00 0.00 O ATOM 0 H SER A 47 14.887 7.232 -3.574 1.00 0.00 H new ATOM 0 HA SER A 47 15.490 5.914 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.524 8.874 -1.902 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.236 8.236 -0.434 1.00 0.00 H new ATOM 0 HG SER A 47 17.793 8.452 -2.143 1.00 0.00 H new ATOM 773 N TYR A 48 13.292 6.133 0.086 1.00 0.00 N ATOM 774 CA TYR A 48 12.120 6.207 0.987 1.00 0.00 C ATOM 775 C TYR A 48 12.292 7.235 2.143 1.00 0.00 C ATOM 776 O TYR A 48 12.387 8.439 1.895 1.00 0.00 O ATOM 777 CB TYR A 48 11.790 4.783 1.497 1.00 0.00 C ATOM 778 CG TYR A 48 11.228 3.830 0.460 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.063 3.221 -0.493 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.857 3.511 0.479 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.513 2.343 -1.445 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.317 2.593 -0.442 1.00 0.00 C ATOM 783 CZ TYR A 48 10.153 2.006 -1.410 1.00 0.00 C ATOM 784 OH TYR A 48 9.690 1.042 -2.246 1.00 0.00 O ATOM 0 H TYR A 48 13.731 5.213 0.118 1.00 0.00 H new ATOM 0 HA TYR A 48 11.272 6.587 0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.698 4.346 1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.074 4.866 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.123 3.426 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.211 3.976 1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.147 1.923 -2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.267 2.341 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 48 8.900 0.618 -1.851 1.00 0.00 H new ATOM 794 N THR A 49 12.317 6.789 3.407 1.00 0.00 N ATOM 795 CA THR A 49 12.636 7.546 4.632 1.00 0.00 C ATOM 796 C THR A 49 13.387 6.633 5.604 1.00 0.00 C ATOM 797 O THR A 49 13.254 5.410 5.517 1.00 0.00 O ATOM 798 CB THR A 49 11.376 8.061 5.363 1.00 0.00 C ATOM 799 OG1 THR A 49 10.569 6.999 5.816 1.00 0.00 O ATOM 800 CG2 THR A 49 10.486 8.959 4.514 1.00 0.00 C ATOM 0 H THR A 49 12.098 5.815 3.619 1.00 0.00 H new ATOM 0 HA THR A 49 13.234 8.404 4.325 1.00 0.00 H new ATOM 0 HB THR A 49 11.776 8.643 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.782 7.359 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.624 9.277 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.051 9.835 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.145 8.409 3.637 1.00 0.00 H new ATOM 808 N ASP A 50 14.102 7.212 6.573 1.00 0.00 N ATOM 809 CA ASP A 50 14.618 6.488 7.743 1.00 0.00 C ATOM 810 C ASP A 50 13.490 5.672 8.413 1.00 0.00 C ATOM 811 O ASP A 50 13.573 4.446 8.499 1.00 0.00 O ATOM 812 CB ASP A 50 15.276 7.527 8.677 1.00 0.00 C ATOM 813 CG ASP A 50 15.845 6.937 9.968 1.00 0.00 C ATOM 814 OD1 ASP A 50 15.038 6.537 10.837 1.00 0.00 O ATOM 815 OD2 ASP A 50 17.082 6.811 10.116 1.00 0.00 O ATOM 0 H ASP A 50 14.342 8.203 6.569 1.00 0.00 H new ATOM 0 HA ASP A 50 15.373 5.753 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.078 8.029 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.539 8.288 8.932 1.00 0.00 H new ATOM 820 N ALA A 51 12.405 6.359 8.792 1.00 0.00 N ATOM 821 CA ALA A 51 11.293 5.842 9.580 1.00 0.00 C ATOM 822 C ALA A 51 10.513 4.684 8.926 1.00 0.00 C ATOM 823 O ALA A 51 10.012 3.834 9.655 1.00 0.00 O ATOM 824 CB ALA A 51 10.375 7.027 9.916 1.00 0.00 C ATOM 0 H ALA A 51 12.278 7.340 8.542 1.00 0.00 H new ATOM 0 HA ALA A 51 11.705 5.389 10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.529 6.676 10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.933 7.769 10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.010 7.478 8.993 1.00 0.00 H new ATOM 830 N ASN A 52 10.411 4.625 7.590 1.00 0.00 N ATOM 831 CA ASN A 52 9.785 3.513 6.858 1.00 0.00 C ATOM 832 C ASN A 52 10.710 2.291 6.737 1.00 0.00 C ATOM 833 O ASN A 52 10.289 1.169 7.005 1.00 0.00 O ATOM 834 CB ASN A 52 9.321 3.998 5.473 1.00 0.00 C ATOM 835 CG ASN A 52 8.683 2.881 4.651 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.622 2.368 4.944 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.308 2.438 3.587 1.00 0.00 N ATOM 0 H ASN A 52 10.766 5.360 6.978 1.00 0.00 H new ATOM 0 HA ASN A 52 8.919 3.183 7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.604 4.810 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.173 4.405 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.901 1.684 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.201 2.847 3.313 1.00 0.00 H new ATOM 844 N ILE A 53 11.983 2.502 6.384 1.00 0.00 N ATOM 845 CA ILE A 53 12.986 1.425 6.261 1.00 0.00 C ATOM 846 C ILE A 53 13.140 0.711 7.602 1.00 0.00 C ATOM 847 O ILE A 53 12.790 -0.459 7.747 1.00 0.00 O ATOM 848 CB ILE A 53 14.316 1.999 5.723 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.129 2.471 4.258 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.474 0.981 5.809 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.283 3.330 3.725 1.00 0.00 C ATOM 0 H ILE A 53 12.354 3.429 6.173 1.00 0.00 H new ATOM 0 HA ILE A 53 12.653 0.679 5.539 1.00 0.00 H new ATOM 0 HB ILE A 53 14.586 2.846 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.015 1.596 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.203 3.041 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.386 1.433 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.628 0.692 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.226 0.098 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.076 3.619 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.385 4.224 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.210 2.757 3.762 1.00 0.00 H new ATOM 863 N LYS A 54 13.546 1.466 8.622 1.00 0.00 N ATOM 864 CA LYS A 54 13.625 1.080 10.031 1.00 0.00 C ATOM 865 C LYS A 54 12.254 0.884 10.692 1.00 0.00 C ATOM 866 O LYS A 54 12.191 0.697 11.906 1.00 0.00 O ATOM 867 CB LYS A 54 14.475 2.132 10.751 1.00 0.00 C ATOM 868 CG LYS A 54 15.891 2.201 10.144 1.00 0.00 C ATOM 869 CD LYS A 54 16.618 3.491 10.509 1.00 0.00 C ATOM 870 CE LYS A 54 16.759 3.746 12.015 1.00 0.00 C ATOM 871 NZ LYS A 54 16.876 5.198 12.265 1.00 0.00 N ATOM 0 H LYS A 54 13.849 2.429 8.476 1.00 0.00 H new ATOM 0 HA LYS A 54 14.093 0.099 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.995 3.108 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.541 1.889 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.474 1.348 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.823 2.120 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.613 3.469 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.086 4.330 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.895 3.344 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.638 3.229 12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.156 5.359 13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.595 5.603 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.960 5.656 12.086 1.00 0.00 H new ATOM 885 N LYS A 55 11.150 0.905 9.928 1.00 0.00 N ATOM 886 CA LYS A 55 9.878 0.339 10.416 1.00 0.00 C ATOM 887 C LYS A 55 9.916 -1.183 10.418 1.00 0.00 C ATOM 888 O LYS A 55 9.317 -1.785 11.300 1.00 0.00 O ATOM 889 CB LYS A 55 8.669 0.801 9.583 1.00 0.00 C ATOM 890 CG LYS A 55 7.352 0.679 10.357 1.00 0.00 C ATOM 891 CD LYS A 55 7.237 1.696 11.501 1.00 0.00 C ATOM 892 CE LYS A 55 7.271 1.043 12.880 1.00 0.00 C ATOM 893 NZ LYS A 55 6.958 2.051 13.920 1.00 0.00 N ATOM 0 H LYS A 55 11.109 1.299 8.988 1.00 0.00 H new ATOM 0 HA LYS A 55 9.759 0.709 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.815 1.837 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.609 0.206 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.518 0.817 9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.267 -0.329 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.052 2.415 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.308 2.255 11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.551 0.226 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.255 0.611 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.634 1.570 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.811 2.607 14.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.209 2.685 13.575 1.00 0.00 H new ATOM 907 N ASN A 56 10.596 -1.756 9.419 1.00 0.00 N ATOM 908 CA ASN A 56 10.696 -3.179 9.109 1.00 0.00 C ATOM 909 C ASN A 56 9.350 -3.930 9.169 1.00 0.00 C ATOM 910 O ASN A 56 9.297 -5.089 9.571 1.00 0.00 O ATOM 911 CB ASN A 56 11.822 -3.791 9.967 1.00 0.00 C ATOM 912 CG ASN A 56 13.176 -3.183 9.653 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.749 -2.416 10.409 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.712 -3.496 8.495 1.00 0.00 N ATOM 0 H ASN A 56 11.130 -1.191 8.759 1.00 0.00 H new ATOM 0 HA ASN A 56 10.970 -3.297 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.594 -3.642 11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.861 -4.867 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.611 -3.097 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.229 -4.138 7.866 1.00 0.00 H new ATOM 921 N VAL A 57 8.260 -3.282 8.733 1.00 0.00 N ATOM 922 CA VAL A 57 6.960 -3.940 8.524 1.00 0.00 C ATOM 923 C VAL A 57 7.094 -4.983 7.425 1.00 0.00 C ATOM 924 O VAL A 57 7.318 -4.646 6.263 1.00 0.00 O ATOM 925 CB VAL A 57 5.847 -2.918 8.215 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.667 -3.502 7.430 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.303 -2.377 9.538 1.00 0.00 C ATOM 0 H VAL A 57 8.254 -2.286 8.515 1.00 0.00 H new ATOM 0 HA VAL A 57 6.665 -4.441 9.446 1.00 0.00 H new ATOM 0 HB VAL A 57 6.300 -2.145 7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.927 -2.722 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.022 -3.890 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.212 -4.310 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.514 -1.652 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.899 -3.199 10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.108 -1.894 10.092 1.00 0.00 H new ATOM 937 N LEU A 58 6.971 -6.255 7.794 1.00 0.00 N ATOM 938 CA LEU A 58 6.669 -7.329 6.855 1.00 0.00 C ATOM 939 C LEU A 58 5.237 -7.108 6.365 1.00 0.00 C ATOM 940 O LEU A 58 4.283 -7.194 7.133 1.00 0.00 O ATOM 941 CB LEU A 58 6.858 -8.691 7.544 1.00 0.00 C ATOM 942 CG LEU A 58 7.004 -9.884 6.575 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.371 -11.126 7.390 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.729 -10.201 5.792 1.00 0.00 C ATOM 0 H LEU A 58 7.079 -6.570 8.758 1.00 0.00 H new ATOM 0 HA LEU A 58 7.342 -7.324 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.744 -8.644 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.006 -8.874 8.199 1.00 0.00 H new ATOM 0 HG LEU A 58 7.772 -9.609 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.479 -11.981 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.312 -10.953 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.584 -11.330 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.909 -11.050 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.926 -10.445 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.442 -9.334 5.197 1.00 0.00 H new ATOM 956 N TRP A 59 5.083 -6.751 5.094 1.00 0.00 N ATOM 957 CA TRP A 59 3.761 -6.524 4.516 1.00 0.00 C ATOM 958 C TRP A 59 2.960 -7.830 4.421 1.00 0.00 C ATOM 959 O TRP A 59 3.110 -8.590 3.466 1.00 0.00 O ATOM 960 CB TRP A 59 3.918 -5.881 3.136 1.00 0.00 C ATOM 961 CG TRP A 59 4.524 -4.517 3.136 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.689 -4.160 2.551 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.003 -3.313 3.768 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.875 -2.803 2.714 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.912 -2.249 3.519 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.871 -3.022 4.554 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.728 -0.958 4.028 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.657 -1.725 5.051 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.586 -0.695 4.804 1.00 0.00 C ATOM 0 H TRP A 59 5.857 -6.612 4.444 1.00 0.00 H new ATOM 0 HA TRP A 59 3.203 -5.851 5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.532 -6.534 2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.937 -5.825 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.365 -4.829 2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.637 -2.275 2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.160 -3.804 4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.449 -0.179 3.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.769 -1.515 5.629 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.421 0.292 5.209 1.00 0.00 H new ATOM 980 N ASP A 60 2.122 -8.080 5.420 1.00 0.00 N ATOM 981 CA ASP A 60 1.117 -9.146 5.449 1.00 0.00 C ATOM 982 C ASP A 60 -0.279 -8.579 5.142 1.00 0.00 C ATOM 983 O ASP A 60 -0.472 -7.362 5.085 1.00 0.00 O ATOM 984 CB ASP A 60 1.172 -9.831 6.825 1.00 0.00 C ATOM 985 CG ASP A 60 0.576 -11.241 6.900 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.018 -11.680 5.895 1.00 0.00 O ATOM 987 OD2 ASP A 60 0.764 -11.879 7.956 1.00 0.00 O ATOM 0 H ASP A 60 2.121 -7.521 6.273 1.00 0.00 H new ATOM 0 HA ASP A 60 1.329 -9.888 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.214 -9.881 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.650 -9.199 7.544 1.00 0.00 H new ATOM 992 N GLU A 61 -1.261 -9.447 4.939 1.00 0.00 N ATOM 993 CA GLU A 61 -2.641 -9.065 4.595 1.00 0.00 C ATOM 994 C GLU A 61 -3.280 -8.191 5.695 1.00 0.00 C ATOM 995 O GLU A 61 -3.776 -7.096 5.414 1.00 0.00 O ATOM 996 CB GLU A 61 -3.499 -10.300 4.241 1.00 0.00 C ATOM 997 CG GLU A 61 -3.024 -10.984 2.940 1.00 0.00 C ATOM 998 CD GLU A 61 -4.008 -12.023 2.356 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.859 -12.555 3.107 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.932 -12.257 1.125 1.00 0.00 O ATOM 0 H GLU A 61 -1.128 -10.456 5.008 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.601 -8.448 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.459 -11.016 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.541 -9.998 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.841 -10.216 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.070 -11.476 3.132 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.192 -8.606 6.963 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.549 -7.769 8.101 1.00 0.00 C ATOM 1009 C ASN A 62 -2.568 -6.595 8.325 1.00 0.00 C ATOM 1010 O ASN A 62 -3.017 -5.464 8.482 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.720 -8.670 9.335 1.00 0.00 C ATOM 1012 CG ASN A 62 -2.424 -9.227 9.896 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -1.467 -9.475 9.194 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -2.328 -9.415 11.188 1.00 0.00 N ATOM 0 H ASN A 62 -2.869 -9.537 7.224 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.498 -7.273 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.224 -8.101 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.374 -9.502 9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.458 -9.765 11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.123 -9.212 11.793 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.247 -6.817 8.343 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.250 -5.787 8.673 1.00 0.00 C ATOM 1023 C ASN A 63 -0.278 -4.599 7.684 1.00 0.00 C ATOM 1024 O ASN A 63 -0.171 -3.439 8.094 1.00 0.00 O ATOM 1025 CB ASN A 63 1.143 -6.443 8.771 1.00 0.00 C ATOM 1026 CG ASN A 63 2.239 -5.578 9.395 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.141 -4.270 9.381 1.00 0.00 O flip ATOM 1028 ND2 ASN A 63 3.248 -6.056 9.879 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.835 -7.725 8.127 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.501 -5.355 9.642 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.053 -7.360 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.460 -6.732 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.368 -7.068 9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.974 -5.444 10.252 1.00 0.00 H new ATOM 1035 N MET A 64 -0.445 -4.845 6.381 1.00 0.00 N ATOM 1036 CA MET A 64 -0.641 -3.755 5.423 1.00 0.00 C ATOM 1037 C MET A 64 -1.929 -2.977 5.698 1.00 0.00 C ATOM 1038 O MET A 64 -1.911 -1.752 5.649 1.00 0.00 O ATOM 1039 CB MET A 64 -0.646 -4.280 3.982 1.00 0.00 C ATOM 1040 CG MET A 64 -0.606 -3.117 2.980 1.00 0.00 C ATOM 1041 SD MET A 64 -1.068 -3.563 1.296 1.00 0.00 S ATOM 1042 CE MET A 64 0.397 -4.532 0.872 1.00 0.00 C ATOM 0 H MET A 64 -0.448 -5.778 5.970 1.00 0.00 H new ATOM 0 HA MET A 64 0.199 -3.072 5.548 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.213 -4.932 3.824 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.539 -4.882 3.812 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.274 -2.330 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.401 -2.699 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.266 -4.977 -0.114 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.273 -3.883 0.864 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.537 -5.321 1.611 1.00 0.00 H new ATOM 1052 N SER A 65 -3.054 -3.655 5.961 1.00 0.00 N ATOM 1053 CA SER A 65 -4.342 -2.984 6.200 1.00 0.00 C ATOM 1054 C SER A 65 -4.353 -2.163 7.496 1.00 0.00 C ATOM 1055 O SER A 65 -4.939 -1.082 7.523 1.00 0.00 O ATOM 1056 CB SER A 65 -5.509 -3.979 6.139 1.00 0.00 C ATOM 1057 OG SER A 65 -5.671 -4.714 7.329 1.00 0.00 O ATOM 0 H SER A 65 -3.099 -4.673 6.014 1.00 0.00 H new ATOM 0 HA SER A 65 -4.478 -2.267 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.430 -3.437 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.347 -4.670 5.312 1.00 0.00 H new ATOM 0 HG SER A 65 -4.791 -4.951 7.690 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.620 -2.625 8.511 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.301 -1.949 9.773 1.00 0.00 C ATOM 1065 C GLU A 66 -2.560 -0.618 9.522 1.00 0.00 C ATOM 1066 O GLU A 66 -3.072 0.449 9.873 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.487 -2.937 10.634 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.441 -2.624 12.132 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.489 -3.602 12.848 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -0.280 -3.562 12.517 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.966 -4.359 13.718 1.00 0.00 O ATOM 0 H GLU A 66 -3.201 -3.554 8.470 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.210 -1.674 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.904 -3.935 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.465 -2.965 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.106 -1.599 12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.441 -2.700 12.558 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.422 -0.650 8.809 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.738 0.551 8.293 1.00 0.00 C ATOM 1080 C TYR A 67 -1.686 1.474 7.511 1.00 0.00 C ATOM 1081 O TYR A 67 -1.816 2.657 7.821 1.00 0.00 O ATOM 1082 CB TYR A 67 0.463 0.131 7.428 1.00 0.00 C ATOM 1083 CG TYR A 67 1.156 1.283 6.712 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.945 2.178 7.451 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.974 1.500 5.331 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.502 3.317 6.839 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.568 2.615 4.702 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.332 3.535 5.454 1.00 0.00 C ATOM 1089 OH TYR A 67 2.711 4.716 4.897 1.00 0.00 O ATOM 0 H TYR A 67 -0.945 -1.519 8.571 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.383 1.127 9.147 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.190 -0.378 8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.125 -0.592 6.685 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.127 1.991 8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.378 0.810 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.061 4.027 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.438 2.766 3.641 1.00 0.00 H new ATOM 0 HH TYR A 67 3.632 4.643 4.570 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.407 0.942 6.515 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.358 1.679 5.665 1.00 0.00 C ATOM 1101 C LEU A 68 -4.629 2.181 6.392 1.00 0.00 C ATOM 1102 O LEU A 68 -5.518 2.764 5.748 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.738 0.811 4.453 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.625 0.487 3.447 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.195 -0.468 2.399 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.109 1.730 2.727 1.00 0.00 C ATOM 0 H LEU A 68 -2.344 -0.046 6.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.841 2.585 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.142 -0.131 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.543 1.313 3.916 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.792 0.048 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.421 -0.713 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.537 -1.381 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.033 0.008 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.323 1.445 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.927 2.201 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.707 2.433 3.457 1.00 0.00 H new ATOM 1118 N THR A 69 -4.758 1.929 7.696 1.00 0.00 N ATOM 1119 CA THR A 69 -5.774 2.522 8.579 1.00 0.00 C ATOM 1120 C THR A 69 -5.302 3.835 9.209 1.00 0.00 C ATOM 1121 O THR A 69 -6.105 4.762 9.291 1.00 0.00 O ATOM 1122 CB THR A 69 -6.257 1.523 9.628 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.713 0.372 8.961 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.435 2.030 10.460 1.00 0.00 C ATOM 0 H THR A 69 -4.138 1.285 8.187 1.00 0.00 H new ATOM 0 HA THR A 69 -6.631 2.773 7.954 1.00 0.00 H new ATOM 0 HB THR A 69 -5.415 1.342 10.296 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.948 -0.117 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.724 1.268 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.144 2.939 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.278 2.245 9.804 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.017 3.968 9.576 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.389 5.264 9.877 1.00 0.00 C ATOM 1134 C ASN A 70 -1.847 5.243 9.687 1.00 0.00 C ATOM 1135 O ASN A 70 -1.111 4.960 10.647 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.771 5.748 11.287 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.426 7.222 11.458 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.351 7.701 11.124 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.336 8.000 11.992 1.00 0.00 N ATOM 0 H ASN A 70 -3.382 3.176 9.673 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.780 5.978 9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.838 5.597 11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.245 5.156 12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.144 8.993 12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.236 7.612 12.275 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.328 5.592 8.494 1.00 0.00 N ATOM 1147 CA PRO A 71 0.091 5.441 8.182 1.00 0.00 C ATOM 1148 C PRO A 71 0.985 6.332 9.056 1.00 0.00 C ATOM 1149 O PRO A 71 2.018 5.883 9.548 1.00 0.00 O ATOM 1150 CB PRO A 71 0.202 5.747 6.683 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.013 6.606 6.361 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.062 6.076 7.334 1.00 0.00 C ATOM 0 HA PRO A 71 0.451 4.436 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.129 6.274 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.204 4.831 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.813 7.666 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.327 6.491 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.764 6.861 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.646 5.275 6.880 1.00 0.00 H new ATOM 1160 N LYS A 72 0.556 7.576 9.318 1.00 0.00 N ATOM 1161 CA LYS A 72 1.277 8.565 10.146 1.00 0.00 C ATOM 1162 C LYS A 72 1.428 8.140 11.608 1.00 0.00 C ATOM 1163 O LYS A 72 2.435 8.462 12.230 1.00 0.00 O ATOM 1164 CB LYS A 72 0.572 9.932 10.083 1.00 0.00 C ATOM 1165 CG LYS A 72 0.990 10.828 8.908 1.00 0.00 C ATOM 1166 CD LYS A 72 0.761 10.208 7.523 1.00 0.00 C ATOM 1167 CE LYS A 72 0.843 11.276 6.429 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.445 11.994 6.286 1.00 0.00 N ATOM 0 H LYS A 72 -0.326 7.935 8.952 1.00 0.00 H new ATOM 0 HA LYS A 72 2.281 8.635 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.504 9.766 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.765 10.466 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.438 11.766 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.047 11.073 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.506 9.434 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.215 9.724 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.634 11.986 6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.110 10.810 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.418 12.589 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.219 11.305 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.603 12.593 7.121 1.00 0.00 H new ATOM 1182 N LYS A 73 0.454 7.418 12.168 1.00 0.00 N ATOM 1183 CA LYS A 73 0.576 6.829 13.514 1.00 0.00 C ATOM 1184 C LYS A 73 1.609 5.696 13.497 1.00 0.00 C ATOM 1185 O LYS A 73 2.438 5.604 14.396 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.807 6.363 14.010 1.00 0.00 C ATOM 1187 CG LYS A 73 -1.004 6.384 15.539 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.032 5.502 16.342 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.380 5.407 17.833 1.00 0.00 C ATOM 1190 NZ LYS A 73 -1.621 4.630 18.076 1.00 0.00 N ATOM 0 H LYS A 73 -0.436 7.223 11.710 1.00 0.00 H new ATOM 0 HA LYS A 73 0.934 7.580 14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.569 6.995 13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.979 5.348 13.653 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.906 7.412 15.887 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.023 6.068 15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.026 4.500 15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.978 5.900 16.237 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.448 4.941 18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.498 6.411 18.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.759 4.507 19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.434 5.140 17.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.541 3.697 17.623 1.00 0.00 H new ATOM 1204 N TYR A 74 1.558 4.828 12.488 1.00 0.00 N ATOM 1205 CA TYR A 74 2.477 3.698 12.331 1.00 0.00 C ATOM 1206 C TYR A 74 3.943 4.142 12.156 1.00 0.00 C ATOM 1207 O TYR A 74 4.846 3.654 12.849 1.00 0.00 O ATOM 1208 CB TYR A 74 2.006 2.862 11.133 1.00 0.00 C ATOM 1209 CG TYR A 74 2.075 1.372 11.376 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.319 0.715 11.463 1.00 0.00 C ATOM 1211 CD2 TYR A 74 0.885 0.644 11.546 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.372 -0.666 11.734 1.00 0.00 C ATOM 1213 CE2 TYR A 74 0.941 -0.739 11.782 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.176 -1.404 11.880 1.00 0.00 C ATOM 1215 OH TYR A 74 2.221 -2.740 12.115 1.00 0.00 O ATOM 0 H TYR A 74 0.865 4.890 11.742 1.00 0.00 H new ATOM 0 HA TYR A 74 2.458 3.101 13.243 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.979 3.136 10.890 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.616 3.110 10.264 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.234 1.272 11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.070 1.147 11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.327 -1.161 11.830 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.024 -1.299 11.890 1.00 0.00 H new ATOM 0 HH TYR A 74 1.343 -3.047 12.425 1.00 0.00 H new ATOM 1225 N ILE A 75 4.152 5.077 11.227 1.00 0.00 N ATOM 1226 CA ILE A 75 5.415 5.682 10.801 1.00 0.00 C ATOM 1227 C ILE A 75 5.312 7.219 10.961 1.00 0.00 C ATOM 1228 O ILE A 75 4.975 7.935 10.009 1.00 0.00 O ATOM 1229 CB ILE A 75 5.777 5.280 9.347 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.752 3.767 9.051 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.201 5.801 9.063 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.848 3.421 7.560 1.00 0.00 C ATOM 0 H ILE A 75 3.367 5.466 10.705 1.00 0.00 H new ATOM 0 HA ILE A 75 6.223 5.311 11.431 1.00 0.00 H new ATOM 0 HB ILE A 75 5.010 5.718 8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.579 3.291 9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.832 3.344 9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.490 5.535 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.221 6.885 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.900 5.351 9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.824 2.338 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.007 3.866 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.781 3.812 7.155 1.00 0.00 H new ATOM 1244 N PRO A 76 5.601 7.768 12.155 1.00 0.00 N ATOM 1245 CA PRO A 76 5.719 9.212 12.335 1.00 0.00 C ATOM 1246 C PRO A 76 6.940 9.726 11.557 1.00 0.00 C ATOM 1247 O PRO A 76 8.076 9.429 11.916 1.00 0.00 O ATOM 1248 CB PRO A 76 5.819 9.434 13.846 1.00 0.00 C ATOM 1249 CG PRO A 76 6.413 8.125 14.366 1.00 0.00 C ATOM 1250 CD PRO A 76 5.853 7.072 13.410 1.00 0.00 C ATOM 0 HA PRO A 76 4.867 9.769 11.944 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.456 10.286 14.084 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.842 9.634 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.503 8.144 14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.115 7.931 15.396 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.562 6.256 13.269 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.936 6.634 13.805 1.00 0.00 H new ATOM 1258 N GLY A 77 6.703 10.445 10.453 1.00 0.00 N ATOM 1259 CA GLY A 77 7.738 10.951 9.532 1.00 0.00 C ATOM 1260 C GLY A 77 7.720 10.344 8.118 1.00 0.00 C ATOM 1261 O GLY A 77 8.547 10.711 7.287 1.00 0.00 O ATOM 0 H GLY A 77 5.759 10.700 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.626 12.032 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.716 10.766 9.976 1.00 0.00 H new ATOM 1265 N THR A 78 6.794 9.426 7.824 1.00 0.00 N ATOM 1266 CA THR A 78 6.589 8.826 6.487 1.00 0.00 C ATOM 1267 C THR A 78 6.171 9.852 5.422 1.00 0.00 C ATOM 1268 O THR A 78 5.516 10.849 5.733 1.00 0.00 O ATOM 1269 CB THR A 78 5.600 7.655 6.620 1.00 0.00 C ATOM 1270 OG1 THR A 78 6.138 6.508 6.015 1.00 0.00 O ATOM 1271 CG2 THR A 78 4.162 7.874 6.166 1.00 0.00 C ATOM 0 H THR A 78 6.145 9.065 8.523 1.00 0.00 H new ATOM 0 HA THR A 78 7.542 8.443 6.122 1.00 0.00 H new ATOM 0 HB THR A 78 5.491 7.539 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.448 6.069 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.588 6.961 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.718 8.685 6.743 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.150 8.134 5.107 1.00 0.00 H new ATOM 1279 N LYS A 79 6.512 9.594 4.152 1.00 0.00 N ATOM 1280 CA LYS A 79 6.194 10.420 2.966 1.00 0.00 C ATOM 1281 C LYS A 79 4.802 10.148 2.376 1.00 0.00 C ATOM 1282 O LYS A 79 4.288 10.998 1.648 1.00 0.00 O ATOM 1283 CB LYS A 79 7.226 10.147 1.859 1.00 0.00 C ATOM 1284 CG LYS A 79 8.579 10.844 2.017 1.00 0.00 C ATOM 1285 CD LYS A 79 9.531 10.261 0.960 1.00 0.00 C ATOM 1286 CE LYS A 79 10.846 11.033 0.880 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.771 10.387 -0.080 1.00 0.00 N ATOM 0 H LYS A 79 7.046 8.761 3.905 1.00 0.00 H new ATOM 0 HA LYS A 79 6.217 11.454 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.397 9.072 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.794 10.448 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.473 11.921 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.977 10.685 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.738 9.217 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.043 10.276 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.653 12.061 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.309 11.077 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.602 10.995 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.076 9.467 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.285 10.244 -0.988 1.00 0.00 H new ATOM 1301 N MET A 80 4.178 9.004 2.672 1.00 0.00 N ATOM 1302 CA MET A 80 2.812 8.662 2.273 1.00 0.00 C ATOM 1303 C MET A 80 1.788 9.635 2.880 1.00 0.00 C ATOM 1304 O MET A 80 1.167 9.373 3.906 1.00 0.00 O ATOM 1305 CB MET A 80 2.539 7.185 2.601 1.00 0.00 C ATOM 1306 CG MET A 80 1.113 6.775 2.244 1.00 0.00 C ATOM 1307 SD MET A 80 0.836 5.033 1.791 1.00 0.00 S ATOM 1308 CE MET A 80 -0.945 4.996 2.070 1.00 0.00 C ATOM 0 H MET A 80 4.627 8.266 3.215 1.00 0.00 H new ATOM 0 HA MET A 80 2.702 8.777 1.195 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.244 6.556 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.711 7.012 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.472 7.009 3.094 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.781 7.397 1.413 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.357 4.071 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.147 5.047 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.409 5.848 1.573 1.00 0.00 H new ATOM 1318 N ALA A 81 1.580 10.779 2.221 1.00 0.00 N ATOM 1319 CA ALA A 81 0.830 11.930 2.736 1.00 0.00 C ATOM 1320 C ALA A 81 -0.665 11.699 3.030 1.00 0.00 C ATOM 1321 O ALA A 81 -1.300 12.512 3.701 1.00 0.00 O ATOM 1322 CB ALA A 81 1.055 13.120 1.798 1.00 0.00 C ATOM 0 H ALA A 81 1.942 10.935 1.280 1.00 0.00 H new ATOM 0 HA ALA A 81 1.231 12.133 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.503 13.984 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.118 13.357 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.704 12.866 0.798 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.163 10.530 2.652 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.489 9.958 2.891 1.00 0.00 C ATOM 1330 C PHE A 82 -2.861 9.812 4.391 1.00 0.00 C ATOM 1331 O PHE A 82 -2.026 9.985 5.283 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.520 8.613 2.143 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.870 7.925 2.122 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.973 8.556 1.516 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.035 6.677 2.746 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.241 7.952 1.566 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.297 6.059 2.769 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.403 6.708 2.201 1.00 0.00 C ATOM 0 H PHE A 82 -0.587 9.885 2.110 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.252 10.640 2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.197 8.778 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.794 7.942 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.845 9.503 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.189 6.191 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.091 8.443 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.415 5.086 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.381 6.252 2.251 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.134 9.507 4.683 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.680 9.457 6.050 1.00 0.00 C ATOM 1350 C GLY A 83 -5.177 8.082 6.515 1.00 0.00 C ATOM 1351 O GLY A 83 -4.991 7.743 7.680 1.00 0.00 O ATOM 0 H GLY A 83 -4.825 9.285 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.910 9.798 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.507 10.164 6.118 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.803 7.303 5.626 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.475 6.037 5.953 1.00 0.00 C ATOM 1357 C GLY A 84 -7.917 5.961 5.430 1.00 0.00 C ATOM 1358 O GLY A 84 -8.446 6.932 4.890 1.00 0.00 O ATOM 0 H GLY A 84 -5.859 7.539 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.900 5.210 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.481 5.906 7.035 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.558 4.794 5.588 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.961 4.506 5.292 1.00 0.00 C ATOM 1364 C LEU A 85 -10.631 3.791 6.486 1.00 0.00 C ATOM 1365 O LEU A 85 -10.446 2.592 6.666 1.00 0.00 O ATOM 1366 CB LEU A 85 -10.029 3.628 4.027 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.475 4.262 2.739 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.537 3.274 1.569 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.239 5.517 2.307 1.00 0.00 C ATOM 0 H LEU A 85 -8.073 3.973 5.951 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.498 5.439 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.482 2.705 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.069 3.352 3.855 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.447 4.533 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.139 3.748 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.944 2.391 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.572 2.980 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.798 5.915 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.283 5.263 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.180 6.268 3.095 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.418 4.501 7.311 1.00 0.00 N ATOM 1382 CA LYS A 86 -12.021 3.972 8.564 1.00 0.00 C ATOM 1383 C LYS A 86 -12.944 2.743 8.381 1.00 0.00 C ATOM 1384 O LYS A 86 -13.134 1.953 9.303 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.736 5.145 9.274 1.00 0.00 C ATOM 1386 CG LYS A 86 -12.886 5.006 10.801 1.00 0.00 C ATOM 1387 CD LYS A 86 -14.193 4.352 11.279 1.00 0.00 C ATOM 1388 CE LYS A 86 -14.201 4.294 12.812 1.00 0.00 C ATOM 1389 NZ LYS A 86 -15.263 3.394 13.328 1.00 0.00 N ATOM 0 H LYS A 86 -11.662 5.475 7.131 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.215 3.577 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.187 6.063 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.729 5.259 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.048 4.421 11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.811 5.997 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.050 4.922 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.283 3.348 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.230 3.950 13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.349 5.297 13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.234 3.383 14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.192 3.736 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.107 2.431 12.967 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.527 2.589 7.190 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.319 1.428 6.767 1.00 0.00 C ATOM 1405 C LYS A 87 -13.435 0.181 6.614 1.00 0.00 C ATOM 1406 O LYS A 87 -12.669 0.076 5.657 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.927 1.703 5.389 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.144 2.629 5.225 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.334 2.678 3.699 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.484 3.487 3.108 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.493 3.260 1.638 1.00 0.00 N ATOM 0 H LYS A 87 -13.458 3.300 6.462 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.084 1.259 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.131 2.110 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.202 0.738 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.025 2.232 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.958 3.619 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.410 3.062 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.445 1.651 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.433 3.179 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.359 4.547 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.817 4.122 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.532 3.024 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.136 2.474 1.412 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.701 -0.847 7.416 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.258 -2.218 7.106 1.00 0.00 C ATOM 1427 C GLU A 88 -13.637 -2.684 5.680 1.00 0.00 C ATOM 1428 O GLU A 88 -12.962 -3.496 5.073 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.820 -3.198 8.149 1.00 0.00 C ATOM 1430 CG GLU A 88 -15.313 -3.517 7.976 1.00 0.00 C ATOM 1431 CD GLU A 88 -15.913 -4.510 8.972 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -15.292 -4.776 10.028 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -17.011 -5.016 8.645 1.00 0.00 O ATOM 0 H GLU A 88 -14.222 -0.764 8.289 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.169 -2.208 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.254 -4.128 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.662 -2.782 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.872 -2.584 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.465 -3.907 6.970 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.756 -2.197 5.149 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.378 -2.633 3.890 1.00 0.00 C ATOM 1442 C LYS A 89 -14.638 -2.151 2.646 1.00 0.00 C ATOM 1443 O LYS A 89 -14.295 -2.957 1.791 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.869 -2.267 3.912 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.481 -2.814 5.211 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.908 -3.360 5.166 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.131 -4.049 6.524 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.392 -4.822 6.572 1.00 0.00 N ATOM 0 H LYS A 89 -15.283 -1.451 5.603 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.298 -3.718 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.995 -1.186 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.377 -2.690 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.832 -3.610 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.454 -2.016 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.630 -2.558 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.032 -4.065 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.293 -4.715 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.141 -3.296 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.492 -5.265 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.196 -4.185 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.375 -5.560 5.840 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.285 -0.866 2.639 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.297 -0.304 1.707 1.00 0.00 C ATOM 1464 C ASP A 90 -11.975 -1.084 1.856 1.00 0.00 C ATOM 1465 O ASP A 90 -11.428 -1.557 0.865 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.064 1.198 1.982 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.793 2.214 1.077 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.046 2.196 1.021 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.127 3.153 0.576 1.00 0.00 O ATOM 0 H ASP A 90 -14.677 -0.178 3.282 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.674 -0.398 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.354 1.399 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.994 1.391 1.908 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.466 -1.263 3.091 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.236 -2.032 3.379 1.00 0.00 C ATOM 1476 C ARG A 91 -10.244 -3.443 2.766 1.00 0.00 C ATOM 1477 O ARG A 91 -9.282 -3.786 2.087 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.950 -2.073 4.899 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.362 -0.772 5.480 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.821 -0.764 5.468 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.286 0.495 4.922 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.162 0.826 3.652 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.332 -0.055 2.708 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.840 2.042 3.321 1.00 0.00 N ATOM 0 H ARG A 91 -11.901 -0.874 3.927 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.419 -1.501 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.878 -2.302 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.259 -2.891 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.731 0.078 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.715 -0.643 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.449 -0.908 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.458 -1.602 4.873 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.977 1.189 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.565 -1.019 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.232 0.219 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.683 2.743 4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.745 2.295 2.337 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.281 -4.246 3.002 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.401 -5.648 2.582 1.00 0.00 C ATOM 1500 C ASN A 92 -11.543 -5.821 1.057 1.00 0.00 C ATOM 1501 O ASN A 92 -10.886 -6.689 0.474 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.577 -6.313 3.326 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.208 -6.778 4.727 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.536 -7.775 4.897 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.657 -6.119 5.768 1.00 0.00 N ATOM 0 H ASN A 92 -12.101 -3.924 3.516 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.468 -6.145 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.405 -5.607 3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.930 -7.167 2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.441 -6.445 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.222 -5.280 5.636 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.356 -4.994 0.389 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.364 -4.928 -1.083 1.00 0.00 C ATOM 1514 C ASP A 93 -10.962 -4.598 -1.635 1.00 0.00 C ATOM 1515 O ASP A 93 -10.442 -5.320 -2.495 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.386 -3.894 -1.581 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.837 -4.384 -1.629 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -15.134 -5.452 -2.230 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.733 -3.610 -1.238 1.00 0.00 O ATOM 0 H ASP A 93 -13.017 -4.361 0.840 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.655 -5.911 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.336 -3.017 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.095 -3.571 -2.580 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.323 -3.538 -1.115 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.977 -3.100 -1.515 1.00 0.00 C ATOM 1526 C LEU A 94 -7.916 -4.206 -1.346 1.00 0.00 C ATOM 1527 O LEU A 94 -7.088 -4.374 -2.241 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.582 -1.814 -0.752 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.655 -0.879 -1.553 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.457 0.011 -2.504 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.904 0.077 -0.624 1.00 0.00 C ATOM 0 H LEU A 94 -10.736 -2.950 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.012 -2.876 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.487 -1.270 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.087 -2.092 0.179 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.969 -1.527 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.777 0.660 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.012 -0.613 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.155 0.621 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.257 0.725 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.620 0.685 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.299 -0.498 0.077 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.956 -4.985 -0.250 1.00 0.00 N ATOM 1544 CA ILE A 95 -7.081 -6.159 -0.041 1.00 0.00 C ATOM 1545 C ILE A 95 -7.340 -7.226 -1.113 1.00 0.00 C ATOM 1546 O ILE A 95 -6.392 -7.663 -1.761 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.227 -6.767 1.379 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.773 -5.793 2.490 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.406 -8.068 1.528 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.404 -6.134 3.850 1.00 0.00 C ATOM 0 H ILE A 95 -8.600 -4.818 0.523 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.054 -5.806 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.291 -6.976 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.687 -5.823 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.042 -4.774 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.533 -8.465 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.754 -8.803 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.352 -7.855 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.057 -5.424 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.490 -6.078 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.113 -7.143 4.143 1.00 0.00 H new ATOM 1562 N THR A 96 -8.602 -7.621 -1.324 1.00 0.00 N ATOM 1563 CA THR A 96 -8.978 -8.686 -2.282 1.00 0.00 C ATOM 1564 C THR A 96 -8.446 -8.405 -3.697 1.00 0.00 C ATOM 1565 O THR A 96 -8.058 -9.312 -4.432 1.00 0.00 O ATOM 1566 CB THR A 96 -10.505 -8.861 -2.344 1.00 0.00 C ATOM 1567 OG1 THR A 96 -11.058 -8.981 -1.051 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.912 -10.135 -3.087 1.00 0.00 C ATOM 0 H THR A 96 -9.400 -7.213 -0.836 1.00 0.00 H new ATOM 0 HA THR A 96 -8.520 -9.605 -1.916 1.00 0.00 H new ATOM 0 HB THR A 96 -10.874 -7.976 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.074 -8.101 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.999 -10.215 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.535 -10.097 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.493 -11.003 -2.578 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.401 -7.126 -4.067 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.715 -6.628 -5.257 1.00 0.00 C ATOM 1578 C TYR A 97 -6.181 -6.704 -5.160 1.00 0.00 C ATOM 1579 O TYR A 97 -5.556 -7.390 -5.968 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.190 -5.198 -5.502 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.370 -4.431 -6.513 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.414 -4.779 -7.876 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.534 -3.392 -6.071 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.662 -4.044 -8.812 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.746 -2.689 -6.999 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.836 -2.990 -8.373 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.128 -2.266 -9.271 1.00 0.00 O ATOM 0 H TYR A 97 -8.854 -6.386 -3.531 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.969 -7.271 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.226 -5.225 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.176 -4.657 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.024 -5.608 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.497 -3.134 -5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.718 -4.287 -9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.071 -1.918 -6.659 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.984 -1.362 -8.921 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.563 -6.009 -4.194 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.103 -5.859 -4.097 1.00 0.00 C ATOM 1599 C LEU A 98 -3.377 -7.198 -3.978 1.00 0.00 C ATOM 1600 O LEU A 98 -2.309 -7.372 -4.557 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.719 -4.962 -2.903 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.759 -3.833 -3.321 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.527 -2.705 -4.007 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -2.029 -3.245 -2.118 1.00 0.00 C ATOM 0 H LEU A 98 -6.069 -5.529 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.785 -5.389 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.620 -4.530 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.251 -5.569 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.033 -4.271 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.833 -1.916 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.026 -3.092 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.271 -2.301 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.360 -2.451 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.756 -2.837 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.449 -4.026 -1.627 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.996 -8.157 -3.284 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.580 -9.565 -3.247 1.00 0.00 C ATOM 1618 C LYS A 99 -3.295 -10.083 -4.664 1.00 0.00 C ATOM 1619 O LYS A 99 -2.211 -10.588 -4.939 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.655 -10.375 -2.492 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.165 -11.732 -1.978 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.080 -12.851 -3.024 1.00 0.00 C ATOM 1623 CE LYS A 99 -2.864 -13.723 -2.717 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.652 -14.730 -3.773 1.00 0.00 N ATOM 0 H LYS A 99 -4.823 -7.972 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.641 -9.679 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.013 -9.786 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.507 -10.534 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.177 -11.597 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.830 -12.058 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.989 -13.452 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.997 -12.426 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.977 -13.096 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.003 -14.221 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.654 -15.023 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.255 -15.557 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.897 -14.321 -4.697 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.242 -9.889 -5.592 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.111 -10.273 -7.002 1.00 0.00 C ATOM 1640 C LYS A 100 -3.323 -9.317 -7.902 1.00 0.00 C ATOM 1641 O LYS A 100 -3.056 -9.642 -9.055 1.00 0.00 O ATOM 1642 CB LYS A 100 -5.495 -10.564 -7.602 1.00 0.00 C ATOM 1643 CG LYS A 100 -5.359 -11.940 -8.257 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.384 -12.387 -9.290 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.825 -13.742 -9.753 1.00 0.00 C ATOM 1646 NZ LYS A 100 -6.379 -14.183 -11.050 1.00 0.00 N ATOM 0 H LYS A 100 -5.138 -9.452 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.497 -11.173 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.267 -10.568 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.777 -9.805 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.379 -11.979 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.356 -12.682 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.379 -12.486 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.464 -11.679 -10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.740 -13.673 -9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.042 -14.496 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.966 -15.101 -11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.412 -14.278 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.150 -13.481 -11.782 1.00 0.00 H new ATOM 1660 N ALA A 101 -2.940 -8.152 -7.390 1.00 0.00 N ATOM 1661 CA ALA A 101 -1.944 -7.271 -8.028 1.00 0.00 C ATOM 1662 C ALA A 101 -0.521 -7.877 -8.006 1.00 0.00 C ATOM 1663 O ALA A 101 0.370 -7.427 -8.737 1.00 0.00 O ATOM 1664 CB ALA A 101 -1.989 -5.880 -7.389 1.00 0.00 C ATOM 0 H ALA A 101 -3.310 -7.782 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.206 -7.172 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.250 -5.236 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.983 -5.451 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.766 -5.961 -6.325 1.00 0.00 H new ATOM 1670 N THR A 102 -0.344 -8.945 -7.216 1.00 0.00 N ATOM 1671 CA THR A 102 0.804 -9.851 -7.255 1.00 0.00 C ATOM 1672 C THR A 102 0.462 -11.327 -7.540 1.00 0.00 C ATOM 1673 O THR A 102 1.307 -11.991 -8.133 1.00 0.00 O ATOM 1674 CB THR A 102 1.643 -9.703 -5.981 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.838 -10.434 -6.124 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.945 -10.080 -4.673 1.00 0.00 C ATOM 0 H THR A 102 -1.026 -9.209 -6.505 1.00 0.00 H new ATOM 0 HA THR A 102 1.393 -9.541 -8.118 1.00 0.00 H new ATOM 0 HB THR A 102 1.835 -8.634 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.137 -10.748 -5.245 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.632 -9.936 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.068 -9.448 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.637 -11.125 -4.713 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.712 -11.856 -7.147 1.00 0.00 N ATOM 1685 CA GLU A 103 -1.045 -13.307 -7.202 1.00 0.00 C ATOM 1686 C GLU A 103 -2.541 -13.670 -7.396 1.00 0.00 C ATOM 1687 O GLU A 103 -2.942 -13.948 -8.550 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.599 -13.950 -5.885 1.00 0.00 C ATOM 1689 CG GLU A 103 0.880 -14.038 -5.513 1.00 0.00 C ATOM 1690 CD GLU A 103 1.053 -14.891 -4.228 1.00 0.00 C ATOM 1691 OE1 GLU A 103 0.031 -15.157 -3.538 1.00 0.00 O ATOM 1692 OE2 GLU A 103 2.193 -15.317 -3.951 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.276 -13.737 -6.377 1.00 0.00 O ATOM 0 H GLU A 103 -1.472 -11.286 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.529 -13.675 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.099 -13.410 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.991 -14.967 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.444 -14.482 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.284 -13.038 -5.353 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.222 4.438 -0.470 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.393 3.229 0.338 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.050 1.197 -0.412 1.00 0.00 C HETATM 1704 CHC HEC A 104 -1.930 5.691 -1.289 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.601 7.604 -1.095 1.00 0.00 C HETATM 1706 NA HEC A 104 2.028 2.533 -0.056 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.342 2.302 0.250 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.495 0.879 0.444 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.254 0.305 0.236 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.321 1.368 -0.098 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.937 -1.170 0.344 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.794 0.167 0.781 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.782 0.079 -0.392 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.161 -0.496 -0.027 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.334 -1.104 1.058 1.00 0.00 O HETATM 1716 O2A HEC A 104 8.078 -0.379 -0.873 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.679 3.589 -0.789 1.00 0.00 N HETATM 1718 C1B HEC A 104 -0.946 2.252 -0.718 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.347 2.093 -1.050 1.00 0.00 C HETATM 1720 C3B HEC A 104 -2.896 3.359 -1.185 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.804 4.303 -1.099 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.051 0.772 -1.268 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.371 3.727 -1.294 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.123 3.350 -0.014 1.00 0.00 C HETATM 1725 NC HEC A 104 0.452 6.348 -1.035 1.00 0.00 N HETATM 1726 C1C HEC A 104 -0.860 6.592 -1.290 1.00 0.00 C HETATM 1727 C2C HEC A 104 -0.982 7.989 -1.629 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.295 8.516 -1.661 1.00 0.00 C HETATM 1729 C4C HEC A 104 1.204 7.468 -1.230 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.277 8.667 -2.032 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.704 9.823 -2.313 1.00 0.00 C HETATM 1732 CBC HEC A 104 0.365 11.050 -1.466 1.00 0.00 C HETATM 1733 ND HEC A 104 3.178 5.282 -0.377 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.471 6.579 -0.664 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.886 6.738 -0.416 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.358 5.547 0.097 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.280 4.593 0.022 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.684 8.001 -0.583 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.723 5.294 0.699 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.704 4.916 2.189 1.00 0.00 C HETATM 1741 CGD HEC A 104 5.957 5.936 3.042 1.00 0.00 C HETATM 1742 O1D HEC A 104 5.008 5.556 3.761 1.00 0.00 O HETATM 1743 O2D HEC A 104 6.380 7.111 3.058 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.626 8.334 -1.619 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.281 8.775 0.070 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.725 7.811 -0.320 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.673 8.191 -2.929 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.002 8.576 -1.223 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.088 9.721 -2.234 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.579 0.241 -2.095 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.982 0.169 -0.363 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.100 0.953 -1.504 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.544 -1.726 -0.371 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.158 -1.517 1.354 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.881 -1.332 0.127 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.237 3.938 2.306 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.728 4.826 2.550 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.711 11.089 -1.297 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.881 10.985 -0.508 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.683 11.952 -1.989 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.041 2.276 0.153 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -4.690 3.883 0.833 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.174 3.622 -0.116 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.342 -0.538 -1.175 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.918 1.076 -0.811 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 7.209 4.494 0.141 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.333 6.188 0.572 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.276 0.685 1.610 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.565 -0.841 1.126 1.00 0.00 H new HETATM 0 HHD HEC A 104 3.041 8.570 -1.341 1.00 0.00 H new HETATM 0 HHC HEC A 104 -2.931 6.092 -1.446 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.444 0.181 -0.419 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.364 2.865 0.675 1.00 0.00 H new HETATM 0 H2D HEC A 104 7.350 7.111 2.922 1.00 0.00 H new HETATM 0 H2A HEC A 104 8.079 -1.160 -1.465 1.00 0.00 H new