USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1076 hydrogens (30 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 90 HIS HE2 : A 90 HIS NE2 : A 148 HEMFE :(H bumps) USER MOD Set 1.1: A 41 MET CE :methyl 151:sc= -12.4! (180deg=-8.89!) USER MOD Set 1.2: A 148 HEM CMB :methyl -30:sc= -7.5! (180deg=-3.86!) USER MOD Set 2.1: A 95 ASN : amide:sc= -9.72! C(o=-17!,f=-19!) USER MOD Set 2.2: A 148 HEM CMA :methyl 150:sc= -7.36! (180deg=-7.36!) USER MOD Set 3.1: A 114 MET CE :methyl -160:sc= -7.47! (180deg=-6.54!) USER MOD Set 3.2: A 134 TYR OH : rot 171:sc= -6.03! USER MOD Set 4.1: A 91 LYS NZ :NH3+ -163:sc= 0.31 (180deg=0.158) USER MOD Set 4.2: A 147 SER OG : rot 12:sc= 0.871 USER MOD Set 5.1: A 3 SER OG : rot 180:sc= -0.0607 USER MOD Set 5.2: A 6 GLN : amide:sc= -0.222 K(o=-0.28,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.033) USER MOD Single : A 8 GLN : amide:sc= -0.412 K(o=-0.41,f=-1.6) USER MOD Single : A 12 SER OG : rot -54:sc= 0.592 USER MOD Single : A 13 THR OG1 : rot 77:sc= 1.51 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0.0425 (180deg=-0.0191) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 22 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -120:sc= -1.31 USER MOD Single : A 32 THR OG1 : rot 138:sc= -3.86! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.06 F(o=-6.2!,f=-2.1) USER MOD Single : A 39 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.02) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.708 X(o=-0.71,f=-0.43) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.0453 (180deg=-0.14) USER MOD Single : A 79 MET CE :methyl -105:sc= -0.991 (180deg=-5.39!) USER MOD Single : A 83 MET CE :methyl -147:sc= -3.97! (180deg=-6.08!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -70:sc= -2.53 USER MOD Single : A 96 LYS NZ :NH3+ -127:sc=-0.00574 (180deg=-0.28) USER MOD Single : A 97 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ -143:sc= 0.514 (180deg=0.0412) USER MOD Single : A 102 TYR OH : rot -69:sc= 0.224 USER MOD Single : A 109 SER OG : rot 88:sc= 0.216 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS :FLIP no HD1:sc= -0.268 F(o=-1.6,f=-0.27) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 179:sc= 0 (180deg=-0.00103) USER MOD Single : A 123 ASN : amide:sc= -5.75! C(o=-5.7!,f=-9.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -82:sc= -0.273 USER MOD Single : A 143 SER OG : rot 130:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= -0.46 F(o=-4.4,f=-0.46) USER MOD Single : A 148 HEM CMC :methyl -30:sc= -9.66! (180deg=-12.3!) USER MOD Single : A 148 HEM CMD :methyl -30:sc= -0.635 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.878 9.721 9.134 1.00 0.00 N ATOM 2 CA GLY A 1 12.761 8.747 8.973 1.00 0.00 C ATOM 3 C GLY A 1 13.273 7.506 8.239 1.00 0.00 C ATOM 4 O GLY A 1 12.955 6.388 8.594 1.00 0.00 O ATOM 0 H1 GLY A 1 13.561 10.519 9.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.684 9.252 9.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.170 10.072 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.363 8.468 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.944 9.203 8.414 1.00 0.00 H new ATOM 8 N LEU A 2 14.063 7.690 7.217 1.00 0.00 N ATOM 9 CA LEU A 2 14.590 6.517 6.462 1.00 0.00 C ATOM 10 C LEU A 2 16.111 6.629 6.328 1.00 0.00 C ATOM 11 O LEU A 2 16.689 7.672 6.559 1.00 0.00 O ATOM 12 CB LEU A 2 13.919 6.588 5.090 1.00 0.00 C ATOM 13 CG LEU A 2 12.570 5.870 5.145 1.00 0.00 C ATOM 14 CD1 LEU A 2 11.706 6.313 3.964 1.00 0.00 C ATOM 15 CD2 LEU A 2 12.798 4.358 5.071 1.00 0.00 C ATOM 0 H LEU A 2 14.366 8.601 6.872 1.00 0.00 H new ATOM 0 HA LEU A 2 14.380 5.571 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 2 13.778 7.628 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 2 14.558 6.127 4.336 1.00 0.00 H new ATOM 0 HG LEU A 2 12.063 6.119 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.745 5.801 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.546 7.390 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.211 6.065 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.838 3.843 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 2 13.304 4.112 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.414 4.041 5.913 1.00 0.00 H new ATOM 27 N SER A 3 16.764 5.560 5.958 1.00 0.00 N ATOM 28 CA SER A 3 18.249 5.606 5.811 1.00 0.00 C ATOM 29 C SER A 3 18.654 5.060 4.440 1.00 0.00 C ATOM 30 O SER A 3 17.859 4.474 3.733 1.00 0.00 O ATOM 31 CB SER A 3 18.792 4.716 6.927 1.00 0.00 C ATOM 32 OG SER A 3 17.845 3.696 7.219 1.00 0.00 O ATOM 0 H SER A 3 16.335 4.658 5.751 1.00 0.00 H new ATOM 0 HA SER A 3 18.641 6.621 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.740 4.272 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.989 5.311 7.819 1.00 0.00 H new ATOM 0 HG SER A 3 18.192 3.123 7.934 1.00 0.00 H new ATOM 38 N ALA A 4 19.890 5.245 4.063 1.00 0.00 N ATOM 39 CA ALA A 4 20.350 4.733 2.739 1.00 0.00 C ATOM 40 C ALA A 4 20.248 3.207 2.721 1.00 0.00 C ATOM 41 O ALA A 4 19.850 2.613 1.739 1.00 0.00 O ATOM 42 CB ALA A 4 21.807 5.182 2.616 1.00 0.00 C ATOM 0 H ALA A 4 20.601 5.728 4.613 1.00 0.00 H new ATOM 0 HA ALA A 4 19.749 5.109 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 4 22.214 4.841 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.858 6.270 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.389 4.756 3.433 1.00 0.00 H new ATOM 48 N ALA A 5 20.602 2.569 3.802 1.00 0.00 N ATOM 49 CA ALA A 5 20.521 1.083 3.849 1.00 0.00 C ATOM 50 C ALA A 5 19.061 0.651 3.699 1.00 0.00 C ATOM 51 O ALA A 5 18.751 -0.289 2.995 1.00 0.00 O ATOM 52 CB ALA A 5 21.065 0.693 5.224 1.00 0.00 C ATOM 0 H ALA A 5 20.944 3.013 4.655 1.00 0.00 H new ATOM 0 HA ALA A 5 21.086 0.604 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 5 21.037 -0.391 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 5 22.094 1.040 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 5 20.453 1.151 6.001 1.00 0.00 H new ATOM 58 N GLN A 6 18.161 1.336 4.351 1.00 0.00 N ATOM 59 CA GLN A 6 16.721 0.969 4.239 1.00 0.00 C ATOM 60 C GLN A 6 16.220 1.319 2.837 1.00 0.00 C ATOM 61 O GLN A 6 15.576 0.525 2.180 1.00 0.00 O ATOM 62 CB GLN A 6 16.007 1.804 5.302 1.00 0.00 C ATOM 63 CG GLN A 6 16.230 1.172 6.678 1.00 0.00 C ATOM 64 CD GLN A 6 15.415 1.916 7.739 1.00 0.00 C ATOM 65 OE1 GLN A 6 14.917 2.997 7.493 1.00 0.00 O ATOM 66 NE2 GLN A 6 15.259 1.379 8.918 1.00 0.00 N ATOM 0 H GLN A 6 18.361 2.133 4.956 1.00 0.00 H new ATOM 0 HA GLN A 6 16.542 -0.095 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 6 16.386 2.826 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.941 1.858 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.939 0.122 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 6 17.289 1.204 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.677 0.472 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.719 1.866 9.633 1.00 0.00 H new ATOM 75 N ARG A 7 16.517 2.500 2.370 1.00 0.00 N ATOM 76 CA ARG A 7 16.065 2.896 1.008 1.00 0.00 C ATOM 77 C ARG A 7 16.529 1.845 -0.001 1.00 0.00 C ATOM 78 O ARG A 7 15.840 1.535 -0.953 1.00 0.00 O ATOM 79 CB ARG A 7 16.736 4.242 0.740 1.00 0.00 C ATOM 80 CG ARG A 7 15.799 5.371 1.172 1.00 0.00 C ATOM 81 CD ARG A 7 16.382 6.715 0.733 1.00 0.00 C ATOM 82 NE ARG A 7 16.648 6.574 -0.724 1.00 0.00 N ATOM 83 CZ ARG A 7 17.439 7.417 -1.327 1.00 0.00 C ATOM 84 NH1 ARG A 7 16.961 8.537 -1.797 1.00 0.00 N ATOM 85 NH2 ARG A 7 18.708 7.142 -1.458 1.00 0.00 N ATOM 0 H ARG A 7 17.053 3.207 2.873 1.00 0.00 H new ATOM 0 HA ARG A 7 14.981 2.971 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 7 17.677 4.307 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 7 16.974 4.338 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.813 5.229 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.668 5.355 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.683 7.529 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.297 6.943 1.279 1.00 0.00 H new ATOM 0 HE ARG A 7 16.212 5.818 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.969 8.752 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.579 9.197 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.081 6.267 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.327 7.802 -1.930 1.00 0.00 H new ATOM 99 N GLN A 8 17.692 1.290 0.205 1.00 0.00 N ATOM 100 CA GLN A 8 18.200 0.252 -0.735 1.00 0.00 C ATOM 101 C GLN A 8 17.445 -1.057 -0.499 1.00 0.00 C ATOM 102 O GLN A 8 17.088 -1.756 -1.426 1.00 0.00 O ATOM 103 CB GLN A 8 19.684 0.095 -0.398 1.00 0.00 C ATOM 104 CG GLN A 8 20.514 0.999 -1.311 1.00 0.00 C ATOM 105 CD GLN A 8 20.352 0.561 -2.768 1.00 0.00 C ATOM 106 OE1 GLN A 8 20.037 -0.581 -3.040 1.00 0.00 O ATOM 107 NE2 GLN A 8 20.555 1.426 -3.724 1.00 0.00 N ATOM 0 H GLN A 8 18.312 1.511 0.984 1.00 0.00 H new ATOM 0 HA GLN A 8 18.059 0.524 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.860 0.355 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.988 -0.944 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.196 2.035 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.564 0.954 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.819 2.385 -3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.449 1.143 -4.698 1.00 0.00 H new ATOM 116 N VAL A 9 17.192 -1.390 0.738 1.00 0.00 N ATOM 117 CA VAL A 9 16.452 -2.649 1.035 1.00 0.00 C ATOM 118 C VAL A 9 15.023 -2.529 0.505 1.00 0.00 C ATOM 119 O VAL A 9 14.364 -3.513 0.230 1.00 0.00 O ATOM 120 CB VAL A 9 16.458 -2.773 2.559 1.00 0.00 C ATOM 121 CG1 VAL A 9 15.743 -4.062 2.970 1.00 0.00 C ATOM 122 CG2 VAL A 9 17.902 -2.810 3.062 1.00 0.00 C ATOM 0 H VAL A 9 17.466 -0.844 1.555 1.00 0.00 H new ATOM 0 HA VAL A 9 16.903 -3.524 0.567 1.00 0.00 H new ATOM 0 HB VAL A 9 15.943 -1.917 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.748 -4.150 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.714 -4.037 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.258 -4.918 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.907 -2.898 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.417 -3.666 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.412 -1.892 2.770 1.00 0.00 H new ATOM 132 N VAL A 10 14.541 -1.326 0.355 1.00 0.00 N ATOM 133 CA VAL A 10 13.158 -1.131 -0.162 1.00 0.00 C ATOM 134 C VAL A 10 13.146 -1.358 -1.675 1.00 0.00 C ATOM 135 O VAL A 10 12.281 -2.024 -2.207 1.00 0.00 O ATOM 136 CB VAL A 10 12.806 0.319 0.180 1.00 0.00 C ATOM 137 CG1 VAL A 10 11.520 0.725 -0.545 1.00 0.00 C ATOM 138 CG2 VAL A 10 12.599 0.447 1.691 1.00 0.00 C ATOM 0 H VAL A 10 15.048 -0.467 0.569 1.00 0.00 H new ATOM 0 HA VAL A 10 12.439 -1.826 0.273 1.00 0.00 H new ATOM 0 HB VAL A 10 13.619 0.972 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.274 1.758 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.665 0.634 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.705 0.073 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.348 1.479 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.786 -0.209 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.515 0.162 2.209 1.00 0.00 H new ATOM 148 N ALA A 11 14.104 -0.810 -2.371 1.00 0.00 N ATOM 149 CA ALA A 11 14.152 -0.996 -3.848 1.00 0.00 C ATOM 150 C ALA A 11 14.613 -2.419 -4.176 1.00 0.00 C ATOM 151 O ALA A 11 14.461 -2.888 -5.284 1.00 0.00 O ATOM 152 CB ALA A 11 15.167 0.030 -4.352 1.00 0.00 C ATOM 0 H ALA A 11 14.855 -0.242 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 11 13.177 -0.857 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.256 -0.048 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.833 1.033 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.137 -0.162 -3.894 1.00 0.00 H new ATOM 158 N SER A 12 15.180 -3.108 -3.223 1.00 0.00 N ATOM 159 CA SER A 12 15.653 -4.498 -3.489 1.00 0.00 C ATOM 160 C SER A 12 14.503 -5.487 -3.278 1.00 0.00 C ATOM 161 O SER A 12 14.497 -6.570 -3.829 1.00 0.00 O ATOM 162 CB SER A 12 16.770 -4.743 -2.476 1.00 0.00 C ATOM 163 OG SER A 12 16.202 -5.162 -1.241 1.00 0.00 O ATOM 0 H SER A 12 15.336 -2.770 -2.273 1.00 0.00 H new ATOM 0 HA SER A 12 16.005 -4.629 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.456 -5.503 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.352 -3.832 -2.332 1.00 0.00 H new ATOM 0 HG SER A 12 15.535 -4.506 -0.948 1.00 0.00 H new ATOM 169 N THR A 13 13.530 -5.125 -2.488 1.00 0.00 N ATOM 170 CA THR A 13 12.384 -6.047 -2.246 1.00 0.00 C ATOM 171 C THR A 13 11.235 -5.709 -3.202 1.00 0.00 C ATOM 172 O THR A 13 10.277 -6.447 -3.318 1.00 0.00 O ATOM 173 CB THR A 13 11.969 -5.801 -0.793 1.00 0.00 C ATOM 174 OG1 THR A 13 12.020 -4.408 -0.517 1.00 0.00 O ATOM 175 CG2 THR A 13 12.922 -6.544 0.145 1.00 0.00 C ATOM 0 H THR A 13 13.479 -4.231 -2.000 1.00 0.00 H new ATOM 0 HA THR A 13 12.647 -7.091 -2.416 1.00 0.00 H new ATOM 0 HB THR A 13 10.954 -6.166 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.235 -3.969 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.625 -6.368 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.882 -7.612 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.939 -6.182 -0.008 1.00 0.00 H new ATOM 183 N TRP A 14 11.317 -4.598 -3.885 1.00 0.00 N ATOM 184 CA TRP A 14 10.224 -4.222 -4.825 1.00 0.00 C ATOM 185 C TRP A 14 10.536 -4.755 -6.225 1.00 0.00 C ATOM 186 O TRP A 14 9.647 -5.041 -7.001 1.00 0.00 O ATOM 187 CB TRP A 14 10.195 -2.692 -4.817 1.00 0.00 C ATOM 188 CG TRP A 14 8.799 -2.227 -4.554 1.00 0.00 C ATOM 189 CD1 TRP A 14 8.304 -1.901 -3.338 1.00 0.00 C ATOM 190 CD2 TRP A 14 7.711 -2.036 -5.504 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.981 -1.523 -3.481 1.00 0.00 N ATOM 192 CE2 TRP A 14 6.570 -1.590 -4.798 1.00 0.00 C ATOM 193 CE3 TRP A 14 7.607 -2.206 -6.895 1.00 0.00 C ATOM 194 CZ2 TRP A 14 5.365 -1.322 -5.451 1.00 0.00 C ATOM 195 CZ3 TRP A 14 6.397 -1.937 -7.555 1.00 0.00 C ATOM 196 CH2 TRP A 14 5.278 -1.497 -6.834 1.00 0.00 C ATOM 0 H TRP A 14 12.092 -3.937 -3.832 1.00 0.00 H new ATOM 0 HA TRP A 14 9.261 -4.640 -4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.869 -2.308 -4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.546 -2.305 -5.774 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.852 -1.931 -2.408 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.382 -1.231 -2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.463 -2.546 -7.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.507 -0.982 -4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.328 -2.070 -8.625 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.350 -1.294 -7.347 1.00 0.00 H new ATOM 207 N LYS A 15 11.791 -4.893 -6.555 1.00 0.00 N ATOM 208 CA LYS A 15 12.150 -5.411 -7.907 1.00 0.00 C ATOM 209 C LYS A 15 11.890 -6.919 -7.971 1.00 0.00 C ATOM 210 O LYS A 15 11.889 -7.512 -9.032 1.00 0.00 O ATOM 211 CB LYS A 15 13.639 -5.108 -8.074 1.00 0.00 C ATOM 212 CG LYS A 15 13.848 -3.592 -8.100 1.00 0.00 C ATOM 213 CD LYS A 15 15.337 -3.277 -8.263 1.00 0.00 C ATOM 214 CE LYS A 15 16.138 -3.966 -7.155 1.00 0.00 C ATOM 215 NZ LYS A 15 16.954 -2.879 -6.549 1.00 0.00 N ATOM 0 H LYS A 15 12.581 -4.671 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 15 11.559 -4.951 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.206 -5.551 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.011 -5.554 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.282 -3.152 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.472 -3.148 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.685 -3.615 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.496 -2.199 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.480 -4.426 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.769 -4.759 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.583 -3.280 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.524 -2.420 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.325 -2.176 -6.110 1.00 0.00 H new ATOM 229 N ASP A 16 11.667 -7.546 -6.847 1.00 0.00 N ATOM 230 CA ASP A 16 11.406 -9.013 -6.852 1.00 0.00 C ATOM 231 C ASP A 16 9.903 -9.266 -6.704 1.00 0.00 C ATOM 232 O ASP A 16 9.294 -9.938 -7.513 1.00 0.00 O ATOM 233 CB ASP A 16 12.170 -9.562 -5.646 1.00 0.00 C ATOM 234 CG ASP A 16 13.540 -10.080 -6.086 1.00 0.00 C ATOM 235 OD1 ASP A 16 13.579 -10.915 -6.974 1.00 0.00 O ATOM 236 OD2 ASP A 16 14.528 -9.632 -5.528 1.00 0.00 O ATOM 0 H ASP A 16 11.654 -7.106 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 16 11.726 -9.492 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.291 -8.781 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.601 -10.366 -5.180 1.00 0.00 H new ATOM 241 N ILE A 17 9.301 -8.732 -5.677 1.00 0.00 N ATOM 242 CA ILE A 17 7.838 -8.941 -5.479 1.00 0.00 C ATOM 243 C ILE A 17 7.062 -8.224 -6.588 1.00 0.00 C ATOM 244 O ILE A 17 6.039 -8.692 -7.045 1.00 0.00 O ATOM 245 CB ILE A 17 7.523 -8.326 -4.114 1.00 0.00 C ATOM 246 CG1 ILE A 17 8.268 -9.097 -3.022 1.00 0.00 C ATOM 247 CG2 ILE A 17 6.018 -8.405 -3.854 1.00 0.00 C ATOM 248 CD1 ILE A 17 8.046 -8.411 -1.672 1.00 0.00 C ATOM 0 H ILE A 17 9.758 -8.160 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 17 7.558 -9.994 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 17 7.840 -7.283 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.912 -10.127 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.333 -9.136 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.793 -7.967 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.485 -7.857 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.701 -9.448 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.576 -8.960 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.423 -7.389 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.980 -8.395 -1.443 1.00 0.00 H new ATOM 260 N ALA A 18 7.541 -7.090 -7.021 1.00 0.00 N ATOM 261 CA ALA A 18 6.833 -6.342 -8.098 1.00 0.00 C ATOM 262 C ALA A 18 7.599 -6.485 -9.416 1.00 0.00 C ATOM 263 O ALA A 18 7.629 -5.583 -10.228 1.00 0.00 O ATOM 264 CB ALA A 18 6.826 -4.886 -7.631 1.00 0.00 C ATOM 0 H ALA A 18 8.393 -6.649 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 18 5.823 -6.713 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.320 -4.268 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.301 -4.812 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.852 -4.538 -7.508 1.00 0.00 H new ATOM 270 N GLY A 19 8.218 -7.613 -9.634 1.00 0.00 N ATOM 271 CA GLY A 19 8.981 -7.812 -10.899 1.00 0.00 C ATOM 272 C GLY A 19 8.081 -7.475 -12.089 1.00 0.00 C ATOM 273 O GLY A 19 8.103 -6.375 -12.605 1.00 0.00 O ATOM 0 H GLY A 19 8.228 -8.405 -8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.867 -7.177 -10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.327 -8.843 -10.970 1.00 0.00 H new ATOM 277 N SER A 20 7.290 -8.415 -12.530 1.00 0.00 N ATOM 278 CA SER A 20 6.390 -8.148 -13.688 1.00 0.00 C ATOM 279 C SER A 20 4.969 -7.879 -13.186 1.00 0.00 C ATOM 280 O SER A 20 4.149 -7.318 -13.885 1.00 0.00 O ATOM 281 CB SER A 20 6.433 -9.423 -14.532 1.00 0.00 C ATOM 282 OG SER A 20 6.225 -10.550 -13.690 1.00 0.00 O ATOM 0 H SER A 20 7.228 -9.355 -12.139 1.00 0.00 H new ATOM 0 HA SER A 20 6.699 -7.276 -14.264 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.667 -9.387 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.395 -9.505 -15.039 1.00 0.00 H new ATOM 0 HG SER A 20 6.250 -11.369 -14.228 1.00 0.00 H new ATOM 288 N ASP A 21 4.670 -8.277 -11.979 1.00 0.00 N ATOM 289 CA ASP A 21 3.302 -8.046 -11.434 1.00 0.00 C ATOM 290 C ASP A 21 3.216 -6.647 -10.817 1.00 0.00 C ATOM 291 O ASP A 21 2.143 -6.126 -10.587 1.00 0.00 O ATOM 292 CB ASP A 21 3.111 -9.121 -10.363 1.00 0.00 C ATOM 293 CG ASP A 21 4.232 -9.034 -9.326 1.00 0.00 C ATOM 294 OD1 ASP A 21 5.370 -9.282 -9.690 1.00 0.00 O ATOM 295 OD2 ASP A 21 3.934 -8.720 -8.186 1.00 0.00 O ATOM 0 H ASP A 21 5.314 -8.752 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 21 2.533 -8.104 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.144 -8.993 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.107 -10.109 -10.824 1.00 0.00 H new ATOM 300 N ASN A 22 4.338 -6.037 -10.544 1.00 0.00 N ATOM 301 CA ASN A 22 4.323 -4.672 -9.939 1.00 0.00 C ATOM 302 C ASN A 22 3.647 -4.724 -8.566 1.00 0.00 C ATOM 303 O ASN A 22 3.247 -3.713 -8.023 1.00 0.00 O ATOM 304 CB ASN A 22 3.519 -3.799 -10.906 1.00 0.00 C ATOM 305 CG ASN A 22 4.021 -2.355 -10.851 1.00 0.00 C ATOM 306 OD1 ASN A 22 5.203 -2.116 -10.709 1.00 0.00 O ATOM 307 ND2 ASN A 22 3.166 -1.375 -10.959 1.00 0.00 N ATOM 0 H ASN A 22 5.266 -6.425 -10.714 1.00 0.00 H new ATOM 0 HA ASN A 22 5.327 -4.275 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.612 -4.186 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.461 -3.835 -10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.491 -0.409 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.173 -1.575 -11.078 1.00 0.00 H new ATOM 314 N GLY A 23 3.516 -5.892 -7.999 1.00 0.00 N ATOM 315 CA GLY A 23 2.868 -6.002 -6.662 1.00 0.00 C ATOM 316 C GLY A 23 1.438 -6.519 -6.833 1.00 0.00 C ATOM 317 O GLY A 23 0.560 -6.213 -6.051 1.00 0.00 O ATOM 0 H GLY A 23 3.830 -6.774 -8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.437 -6.678 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.859 -5.030 -6.169 1.00 0.00 H new ATOM 321 N ALA A 24 1.196 -7.302 -7.849 1.00 0.00 N ATOM 322 CA ALA A 24 -0.178 -7.837 -8.065 1.00 0.00 C ATOM 323 C ALA A 24 -0.497 -8.877 -6.990 1.00 0.00 C ATOM 324 O ALA A 24 -1.551 -8.853 -6.385 1.00 0.00 O ATOM 325 CB ALA A 24 -0.150 -8.484 -9.448 1.00 0.00 C ATOM 0 H ALA A 24 1.889 -7.594 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.941 -7.061 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.131 -8.901 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.107 -7.734 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.594 -9.280 -9.462 1.00 0.00 H new ATOM 331 N GLY A 25 0.407 -9.787 -6.743 1.00 0.00 N ATOM 332 CA GLY A 25 0.157 -10.827 -5.703 1.00 0.00 C ATOM 333 C GLY A 25 0.612 -10.306 -4.338 1.00 0.00 C ATOM 334 O GLY A 25 1.146 -11.039 -3.530 1.00 0.00 O ATOM 0 H GLY A 25 1.308 -9.855 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.903 -11.078 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.695 -11.742 -5.952 1.00 0.00 H new ATOM 338 N VAL A 26 0.397 -9.048 -4.071 1.00 0.00 N ATOM 339 CA VAL A 26 0.806 -8.480 -2.758 1.00 0.00 C ATOM 340 C VAL A 26 -0.418 -7.850 -2.096 1.00 0.00 C ATOM 341 O VAL A 26 -0.655 -8.012 -0.916 1.00 0.00 O ATOM 342 CB VAL A 26 1.863 -7.422 -3.090 1.00 0.00 C ATOM 343 CG1 VAL A 26 2.099 -6.517 -1.878 1.00 0.00 C ATOM 344 CG2 VAL A 26 3.173 -8.116 -3.467 1.00 0.00 C ATOM 0 H VAL A 26 -0.046 -8.387 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 26 1.205 -9.225 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 26 1.512 -6.816 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.852 -5.768 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.167 -6.020 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.446 -7.118 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.927 -7.366 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.516 -8.724 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.010 -8.753 -4.336 1.00 0.00 H new ATOM 354 N GLY A 27 -1.200 -7.138 -2.856 1.00 0.00 N ATOM 355 CA GLY A 27 -2.415 -6.503 -2.284 1.00 0.00 C ATOM 356 C GLY A 27 -3.579 -7.488 -2.386 1.00 0.00 C ATOM 357 O GLY A 27 -4.461 -7.508 -1.551 1.00 0.00 O ATOM 0 H GLY A 27 -1.049 -6.969 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.243 -6.228 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.650 -5.584 -2.822 1.00 0.00 H new ATOM 361 N LYS A 28 -3.588 -8.312 -3.402 1.00 0.00 N ATOM 362 CA LYS A 28 -4.696 -9.295 -3.542 1.00 0.00 C ATOM 363 C LYS A 28 -4.682 -10.241 -2.339 1.00 0.00 C ATOM 364 O LYS A 28 -5.714 -10.660 -1.857 1.00 0.00 O ATOM 365 CB LYS A 28 -4.428 -10.041 -4.858 1.00 0.00 C ATOM 366 CG LYS A 28 -3.235 -10.992 -4.703 1.00 0.00 C ATOM 367 CD LYS A 28 -3.165 -11.935 -5.909 1.00 0.00 C ATOM 368 CE LYS A 28 -3.144 -11.125 -7.208 1.00 0.00 C ATOM 369 NZ LYS A 28 -3.388 -12.129 -8.280 1.00 0.00 N ATOM 0 H LYS A 28 -2.879 -8.345 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.679 -8.826 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.314 -10.604 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.228 -9.325 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.310 -10.421 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.335 -11.569 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.272 -12.556 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.022 -12.608 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.913 -10.352 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.187 -10.622 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.389 -11.655 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.637 -12.848 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.309 -12.586 -8.124 1.00 0.00 H new ATOM 383 N GLU A 29 -3.520 -10.576 -1.844 1.00 0.00 N ATOM 384 CA GLU A 29 -3.455 -11.486 -0.667 1.00 0.00 C ATOM 385 C GLU A 29 -3.571 -10.661 0.618 1.00 0.00 C ATOM 386 O GLU A 29 -3.919 -11.169 1.665 1.00 0.00 O ATOM 387 CB GLU A 29 -2.091 -12.176 -0.757 1.00 0.00 C ATOM 388 CG GLU A 29 -0.977 -11.155 -0.515 1.00 0.00 C ATOM 389 CD GLU A 29 0.340 -11.671 -1.099 1.00 0.00 C ATOM 390 OE1 GLU A 29 0.306 -12.679 -1.785 1.00 0.00 O ATOM 391 OE2 GLU A 29 1.359 -11.048 -0.851 1.00 0.00 O ATOM 0 H GLU A 29 -2.619 -10.260 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.263 -12.218 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.029 -12.977 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.969 -12.635 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.240 -10.202 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.864 -10.974 0.554 1.00 0.00 H new ATOM 398 N CYS A 30 -3.280 -9.390 0.542 1.00 0.00 N ATOM 399 CA CYS A 30 -3.371 -8.529 1.755 1.00 0.00 C ATOM 400 C CYS A 30 -4.792 -7.975 1.889 1.00 0.00 C ATOM 401 O CYS A 30 -5.465 -8.201 2.875 1.00 0.00 O ATOM 402 CB CYS A 30 -2.368 -7.399 1.521 1.00 0.00 C ATOM 403 SG CYS A 30 -2.490 -6.196 2.868 1.00 0.00 S ATOM 0 H CYS A 30 -2.983 -8.911 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.151 -9.075 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.356 -7.801 1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.568 -6.913 0.566 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.810 -5.033 2.383 1.00 0.00 H new ATOM 409 N PHE A 31 -5.252 -7.248 0.906 1.00 0.00 N ATOM 410 CA PHE A 31 -6.627 -6.678 0.983 1.00 0.00 C ATOM 411 C PHE A 31 -7.633 -7.796 1.269 1.00 0.00 C ATOM 412 O PHE A 31 -8.528 -7.645 2.076 1.00 0.00 O ATOM 413 CB PHE A 31 -6.885 -6.045 -0.387 1.00 0.00 C ATOM 414 CG PHE A 31 -6.351 -4.633 -0.394 1.00 0.00 C ATOM 415 CD1 PHE A 31 -4.975 -4.405 -0.518 1.00 0.00 C ATOM 416 CD2 PHE A 31 -7.232 -3.551 -0.273 1.00 0.00 C ATOM 417 CE1 PHE A 31 -4.480 -3.096 -0.523 1.00 0.00 C ATOM 418 CE2 PHE A 31 -6.736 -2.242 -0.278 1.00 0.00 C ATOM 419 CZ PHE A 31 -5.361 -2.014 -0.403 1.00 0.00 C ATOM 0 H PHE A 31 -4.736 -7.025 0.055 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.729 -5.943 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.402 -6.632 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.953 -6.043 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.296 -5.239 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.293 -3.726 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.419 -2.920 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.415 -1.407 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.979 -1.004 -0.407 1.00 0.00 H new ATOM 429 N THR A 32 -7.493 -8.919 0.618 1.00 0.00 N ATOM 430 CA THR A 32 -8.443 -10.041 0.865 1.00 0.00 C ATOM 431 C THR A 32 -8.519 -10.316 2.368 1.00 0.00 C ATOM 432 O THR A 32 -9.587 -10.389 2.943 1.00 0.00 O ATOM 433 CB THR A 32 -7.858 -11.241 0.114 1.00 0.00 C ATOM 434 OG1 THR A 32 -8.003 -11.036 -1.284 1.00 0.00 O ATOM 435 CG2 THR A 32 -8.599 -12.516 0.521 1.00 0.00 C ATOM 0 H THR A 32 -6.765 -9.108 -0.071 1.00 0.00 H new ATOM 0 HA THR A 32 -9.455 -9.821 0.524 1.00 0.00 H new ATOM 0 HB THR A 32 -6.802 -11.344 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.183 -11.316 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.180 -13.367 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.490 -12.674 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.656 -12.417 0.275 1.00 0.00 H new ATOM 443 N LYS A 33 -7.393 -10.463 3.011 1.00 0.00 N ATOM 444 CA LYS A 33 -7.403 -10.725 4.478 1.00 0.00 C ATOM 445 C LYS A 33 -8.037 -9.534 5.199 1.00 0.00 C ATOM 446 O LYS A 33 -8.858 -9.695 6.080 1.00 0.00 O ATOM 447 CB LYS A 33 -5.933 -10.881 4.871 1.00 0.00 C ATOM 448 CG LYS A 33 -5.515 -12.345 4.715 1.00 0.00 C ATOM 449 CD LYS A 33 -4.053 -12.415 4.270 1.00 0.00 C ATOM 450 CE LYS A 33 -3.320 -13.480 5.088 1.00 0.00 C ATOM 451 NZ LYS A 33 -2.459 -12.708 6.026 1.00 0.00 N ATOM 0 H LYS A 33 -6.468 -10.413 2.585 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.978 -11.612 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.308 -10.245 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.785 -10.557 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.644 -12.873 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.153 -12.840 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.996 -12.654 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.574 -11.445 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.021 -14.118 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.724 -14.131 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.921 -13.366 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.799 -12.115 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.055 -12.102 6.626 1.00 0.00 H new ATOM 465 N PHE A 34 -7.666 -8.340 4.827 1.00 0.00 N ATOM 466 CA PHE A 34 -8.252 -7.138 5.485 1.00 0.00 C ATOM 467 C PHE A 34 -9.773 -7.168 5.325 1.00 0.00 C ATOM 468 O PHE A 34 -10.511 -6.953 6.266 1.00 0.00 O ATOM 469 CB PHE A 34 -7.650 -5.940 4.746 1.00 0.00 C ATOM 470 CG PHE A 34 -7.686 -4.722 5.639 1.00 0.00 C ATOM 471 CD1 PHE A 34 -7.197 -4.799 6.949 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.208 -3.516 5.157 1.00 0.00 C ATOM 473 CE1 PHE A 34 -7.231 -3.669 7.776 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.241 -2.387 5.983 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.753 -2.464 7.293 1.00 0.00 C ATOM 0 H PHE A 34 -6.982 -8.145 4.096 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.036 -7.093 6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.623 -6.159 4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.208 -5.748 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.794 -5.729 7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.586 -3.457 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.854 -3.728 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.643 -1.456 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.779 -1.593 7.931 1.00 0.00 H new ATOM 485 N LEU A 35 -10.246 -7.436 4.139 1.00 0.00 N ATOM 486 CA LEU A 35 -11.719 -7.483 3.913 1.00 0.00 C ATOM 487 C LEU A 35 -12.347 -8.546 4.819 1.00 0.00 C ATOM 488 O LEU A 35 -13.374 -8.326 5.430 1.00 0.00 O ATOM 489 CB LEU A 35 -11.887 -7.860 2.440 1.00 0.00 C ATOM 490 CG LEU A 35 -11.330 -6.741 1.560 1.00 0.00 C ATOM 491 CD1 LEU A 35 -10.832 -7.329 0.239 1.00 0.00 C ATOM 492 CD2 LEU A 35 -12.434 -5.721 1.279 1.00 0.00 C ATOM 0 H LEU A 35 -9.675 -7.625 3.315 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.207 -6.536 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.366 -8.795 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.940 -8.025 2.214 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.502 -6.252 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.435 -6.531 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.047 -8.058 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.659 -7.818 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.040 -4.922 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.260 -6.212 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.790 -5.302 2.220 1.00 0.00 H new ATOM 504 N SER A 36 -11.742 -9.698 4.907 1.00 0.00 N ATOM 505 CA SER A 36 -12.307 -10.773 5.771 1.00 0.00 C ATOM 506 C SER A 36 -12.225 -10.352 7.241 1.00 0.00 C ATOM 507 O SER A 36 -13.229 -10.178 7.904 1.00 0.00 O ATOM 508 CB SER A 36 -11.435 -12.000 5.509 1.00 0.00 C ATOM 509 OG SER A 36 -11.909 -13.089 6.291 1.00 0.00 O ATOM 0 H SER A 36 -10.881 -9.942 4.418 1.00 0.00 H new ATOM 0 HA SER A 36 -13.356 -10.975 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.460 -12.259 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.397 -11.783 5.759 1.00 0.00 H new ATOM 0 HG SER A 36 -11.353 -13.878 6.124 1.00 0.00 H new ATOM 515 N ALA A 37 -11.037 -10.190 7.757 1.00 0.00 N ATOM 516 CA ALA A 37 -10.893 -9.783 9.184 1.00 0.00 C ATOM 517 C ALA A 37 -11.712 -8.517 9.448 1.00 0.00 C ATOM 518 O ALA A 37 -12.141 -8.263 10.556 1.00 0.00 O ATOM 519 CB ALA A 37 -9.400 -9.513 9.376 1.00 0.00 C ATOM 0 H ALA A 37 -10.160 -10.322 7.253 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.253 -10.547 9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.215 -9.207 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.835 -10.420 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.084 -8.719 8.700 1.00 0.00 H new ATOM 525 N HIS A 38 -11.930 -7.720 8.438 1.00 0.00 N ATOM 526 CA HIS A 38 -12.720 -6.472 8.631 1.00 0.00 C ATOM 527 C HIS A 38 -13.911 -6.456 7.668 1.00 0.00 C ATOM 528 O HIS A 38 -13.768 -6.215 6.486 1.00 0.00 O ATOM 529 CB HIS A 38 -11.756 -5.326 8.317 1.00 0.00 C ATOM 530 CG HIS A 38 -10.496 -5.492 9.122 1.00 0.00 C ATOM 531 ND1 HIS A 38 -9.499 -6.435 9.082 1.00 0.00 N flip ATOM 532 CD2 HIS A 38 -10.139 -4.607 10.127 1.00 0.00 C flip ATOM 533 CE1 HIS A 38 -8.538 -6.143 10.045 1.00 0.00 C flip ATOM 534 NE2 HIS A 38 -8.972 -5.032 10.646 1.00 0.00 N flip ATOM 0 H HIS A 38 -11.595 -7.879 7.488 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.121 -6.390 9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.521 -5.316 7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.224 -4.369 8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -10.696 -3.735 10.437 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.635 -6.696 10.260 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.479 -4.563 11.406 1.00 0.00 H new ATOM 543 N HIS A 39 -15.089 -6.703 8.175 1.00 0.00 N ATOM 544 CA HIS A 39 -16.297 -6.695 7.302 1.00 0.00 C ATOM 545 C HIS A 39 -16.840 -5.267 7.182 1.00 0.00 C ATOM 546 O HIS A 39 -17.901 -5.043 6.633 1.00 0.00 O ATOM 547 CB HIS A 39 -17.307 -7.599 8.009 1.00 0.00 C ATOM 548 CG HIS A 39 -17.189 -8.999 7.474 1.00 0.00 C ATOM 549 ND1 HIS A 39 -18.193 -9.940 7.639 1.00 0.00 N ATOM 550 CD2 HIS A 39 -16.192 -9.633 6.774 1.00 0.00 C ATOM 551 CE1 HIS A 39 -17.782 -11.079 7.051 1.00 0.00 C ATOM 552 NE2 HIS A 39 -16.569 -10.946 6.508 1.00 0.00 N ATOM 0 H HIS A 39 -15.267 -6.910 9.158 1.00 0.00 H new ATOM 0 HA HIS A 39 -16.084 -7.044 6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.126 -7.593 9.084 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -18.318 -7.223 7.854 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.258 -9.181 6.475 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -18.362 -11.989 7.022 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.034 -11.655 6.006 1.00 0.00 H new ATOM 561 N ASP A 40 -16.121 -4.299 7.681 1.00 0.00 N ATOM 562 CA ASP A 40 -16.596 -2.890 7.584 1.00 0.00 C ATOM 563 C ASP A 40 -15.908 -2.195 6.404 1.00 0.00 C ATOM 564 O ASP A 40 -16.287 -1.111 6.006 1.00 0.00 O ATOM 565 CB ASP A 40 -16.194 -2.236 8.907 1.00 0.00 C ATOM 566 CG ASP A 40 -14.669 -2.166 9.013 1.00 0.00 C ATOM 567 OD1 ASP A 40 -14.091 -1.294 8.386 1.00 0.00 O ATOM 568 OD2 ASP A 40 -14.106 -2.986 9.720 1.00 0.00 O ATOM 0 H ASP A 40 -15.225 -4.423 8.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -17.671 -2.823 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.618 -1.234 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.599 -2.807 9.742 1.00 0.00 H new ATOM 573 N MET A 41 -14.897 -2.806 5.845 1.00 0.00 N ATOM 574 CA MET A 41 -14.187 -2.174 4.696 1.00 0.00 C ATOM 575 C MET A 41 -14.559 -2.886 3.392 1.00 0.00 C ATOM 576 O MET A 41 -14.267 -2.412 2.312 1.00 0.00 O ATOM 577 CB MET A 41 -12.700 -2.352 5.000 1.00 0.00 C ATOM 578 CG MET A 41 -12.291 -1.399 6.124 1.00 0.00 C ATOM 579 SD MET A 41 -10.959 -0.321 5.543 1.00 0.00 S ATOM 580 CE MET A 41 -11.943 1.190 5.388 1.00 0.00 C ATOM 0 H MET A 41 -14.533 -3.714 6.134 1.00 0.00 H new ATOM 0 HA MET A 41 -14.452 -1.124 4.573 1.00 0.00 H new ATOM 0 HB2 MET A 41 -12.498 -3.383 5.292 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.109 -2.152 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.147 -0.801 6.438 1.00 0.00 H new ATOM 0 HG3 MET A 41 -11.961 -1.966 6.995 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.304 2.058 5.547 1.00 0.00 H new ATOM 0 HE2 MET A 41 -12.380 1.239 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 41 -12.739 1.184 6.133 1.00 0.00 H new ATOM 590 N ALA A 42 -15.200 -4.020 3.476 1.00 0.00 N ATOM 591 CA ALA A 42 -15.582 -4.744 2.232 1.00 0.00 C ATOM 592 C ALA A 42 -16.467 -3.839 1.373 1.00 0.00 C ATOM 593 O ALA A 42 -16.131 -3.508 0.253 1.00 0.00 O ATOM 594 CB ALA A 42 -16.352 -5.977 2.700 1.00 0.00 C ATOM 0 H ALA A 42 -15.474 -4.474 4.347 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.720 -5.026 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.666 -6.560 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.710 -6.587 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -17.230 -5.665 3.265 1.00 0.00 H new ATOM 600 N ALA A 43 -17.593 -3.429 1.891 1.00 0.00 N ATOM 601 CA ALA A 43 -18.491 -2.538 1.103 1.00 0.00 C ATOM 602 C ALA A 43 -17.724 -1.273 0.713 1.00 0.00 C ATOM 603 O ALA A 43 -17.996 -0.654 -0.297 1.00 0.00 O ATOM 604 CB ALA A 43 -19.653 -2.203 2.039 1.00 0.00 C ATOM 0 H ALA A 43 -17.929 -3.672 2.823 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.848 -3.003 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.357 -1.548 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -20.160 -3.122 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.271 -1.700 2.927 1.00 0.00 H new ATOM 610 N VAL A 44 -16.761 -0.890 1.506 1.00 0.00 N ATOM 611 CA VAL A 44 -15.967 0.329 1.185 1.00 0.00 C ATOM 612 C VAL A 44 -15.109 0.056 -0.054 1.00 0.00 C ATOM 613 O VAL A 44 -15.069 0.844 -0.978 1.00 0.00 O ATOM 614 CB VAL A 44 -15.102 0.574 2.429 1.00 0.00 C ATOM 615 CG1 VAL A 44 -13.970 1.557 2.112 1.00 0.00 C ATOM 616 CG2 VAL A 44 -15.975 1.156 3.543 1.00 0.00 C ATOM 0 H VAL A 44 -16.490 -1.370 2.364 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.582 1.200 0.959 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.667 -0.374 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.367 1.718 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.343 1.147 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.394 2.506 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.365 1.332 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.410 2.098 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.772 0.453 3.785 1.00 0.00 H new ATOM 626 N PHE A 45 -14.424 -1.054 -0.081 1.00 0.00 N ATOM 627 CA PHE A 45 -13.574 -1.374 -1.262 1.00 0.00 C ATOM 628 C PHE A 45 -14.466 -1.722 -2.456 1.00 0.00 C ATOM 629 O PHE A 45 -14.169 -1.384 -3.584 1.00 0.00 O ATOM 630 CB PHE A 45 -12.736 -2.580 -0.839 1.00 0.00 C ATOM 631 CG PHE A 45 -11.640 -2.127 0.094 1.00 0.00 C ATOM 632 CD1 PHE A 45 -10.698 -1.187 -0.340 1.00 0.00 C ATOM 633 CD2 PHE A 45 -11.565 -2.645 1.391 1.00 0.00 C ATOM 634 CE1 PHE A 45 -9.681 -0.765 0.524 1.00 0.00 C ATOM 635 CE2 PHE A 45 -10.549 -2.223 2.256 1.00 0.00 C ATOM 636 CZ PHE A 45 -9.607 -1.283 1.823 1.00 0.00 C ATOM 0 H PHE A 45 -14.416 -1.752 0.663 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.943 -0.538 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.366 -3.319 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.305 -3.063 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.756 -0.787 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.291 -3.371 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.954 -0.040 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.492 -2.623 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.823 -0.957 2.491 1.00 0.00 H new ATOM 646 N GLY A 46 -15.558 -2.395 -2.216 1.00 0.00 N ATOM 647 CA GLY A 46 -16.468 -2.763 -3.337 1.00 0.00 C ATOM 648 C GLY A 46 -16.492 -4.284 -3.490 1.00 0.00 C ATOM 649 O GLY A 46 -16.607 -4.804 -4.582 1.00 0.00 O ATOM 0 H GLY A 46 -15.859 -2.706 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.473 -2.390 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.129 -2.298 -4.263 1.00 0.00 H new ATOM 653 N PHE A 47 -16.387 -5.003 -2.406 1.00 0.00 N ATOM 654 CA PHE A 47 -16.404 -6.491 -2.496 1.00 0.00 C ATOM 655 C PHE A 47 -17.485 -7.055 -1.573 1.00 0.00 C ATOM 656 O PHE A 47 -18.037 -6.358 -0.745 1.00 0.00 O ATOM 657 CB PHE A 47 -15.017 -6.944 -2.033 1.00 0.00 C ATOM 658 CG PHE A 47 -13.954 -6.200 -2.803 1.00 0.00 C ATOM 659 CD1 PHE A 47 -14.129 -5.937 -4.166 1.00 0.00 C ATOM 660 CD2 PHE A 47 -12.791 -5.773 -2.152 1.00 0.00 C ATOM 661 CE1 PHE A 47 -13.142 -5.248 -4.880 1.00 0.00 C ATOM 662 CE2 PHE A 47 -11.803 -5.083 -2.865 1.00 0.00 C ATOM 663 CZ PHE A 47 -11.979 -4.821 -4.229 1.00 0.00 C ATOM 0 H PHE A 47 -16.290 -4.625 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 47 -16.624 -6.839 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.902 -6.760 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.905 -8.018 -2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.027 -6.266 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.656 -5.976 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.278 -5.046 -5.932 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.906 -4.753 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.217 -4.289 -4.779 1.00 0.00 H new ATOM 673 N SER A 48 -17.782 -8.318 -1.705 1.00 0.00 N ATOM 674 CA SER A 48 -18.818 -8.938 -0.833 1.00 0.00 C ATOM 675 C SER A 48 -18.139 -9.826 0.215 1.00 0.00 C ATOM 676 O SER A 48 -18.748 -10.237 1.182 1.00 0.00 O ATOM 677 CB SER A 48 -19.688 -9.773 -1.772 1.00 0.00 C ATOM 678 OG SER A 48 -20.435 -10.712 -1.009 1.00 0.00 O ATOM 0 H SER A 48 -17.351 -8.949 -2.381 1.00 0.00 H new ATOM 0 HA SER A 48 -19.411 -8.199 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.361 -9.126 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 -19.064 -10.292 -2.499 1.00 0.00 H new ATOM 0 HG SER A 48 -20.995 -11.248 -1.608 1.00 0.00 H new ATOM 684 N GLY A 49 -16.879 -10.124 0.031 1.00 0.00 N ATOM 685 CA GLY A 49 -16.163 -10.982 1.016 1.00 0.00 C ATOM 686 C GLY A 49 -14.695 -11.103 0.602 1.00 0.00 C ATOM 687 O GLY A 49 -14.198 -10.328 -0.190 1.00 0.00 O ATOM 0 H GLY A 49 -16.316 -9.809 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.238 -10.551 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.624 -11.969 1.060 1.00 0.00 H new ATOM 691 N ALA A 50 -13.998 -12.069 1.133 1.00 0.00 N ATOM 692 CA ALA A 50 -12.562 -12.239 0.771 1.00 0.00 C ATOM 693 C ALA A 50 -12.447 -13.032 -0.533 1.00 0.00 C ATOM 694 O ALA A 50 -11.433 -13.000 -1.202 1.00 0.00 O ATOM 695 CB ALA A 50 -11.943 -13.016 1.934 1.00 0.00 C ATOM 0 H ALA A 50 -14.360 -12.748 1.802 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.057 -11.286 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.883 -13.180 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.058 -12.445 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.446 -13.978 2.038 1.00 0.00 H new ATOM 701 N SER A 51 -13.477 -13.746 -0.898 1.00 0.00 N ATOM 702 CA SER A 51 -13.422 -14.540 -2.158 1.00 0.00 C ATOM 703 C SER A 51 -13.871 -13.672 -3.336 1.00 0.00 C ATOM 704 O SER A 51 -14.738 -14.047 -4.101 1.00 0.00 O ATOM 705 CB SER A 51 -14.390 -15.704 -1.943 1.00 0.00 C ATOM 706 OG SER A 51 -15.625 -15.202 -1.452 1.00 0.00 O ATOM 0 H SER A 51 -14.353 -13.814 -0.379 1.00 0.00 H new ATOM 0 HA SER A 51 -12.416 -14.894 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.548 -16.239 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.967 -16.418 -1.236 1.00 0.00 H new ATOM 0 HG SER A 51 -16.249 -15.945 -1.315 1.00 0.00 H new ATOM 712 N ASP A 52 -13.287 -12.515 -3.490 1.00 0.00 N ATOM 713 CA ASP A 52 -13.681 -11.626 -4.620 1.00 0.00 C ATOM 714 C ASP A 52 -12.434 -11.220 -5.413 1.00 0.00 C ATOM 715 O ASP A 52 -11.431 -10.843 -4.840 1.00 0.00 O ATOM 716 CB ASP A 52 -14.329 -10.405 -3.965 1.00 0.00 C ATOM 717 CG ASP A 52 -15.301 -9.741 -4.941 1.00 0.00 C ATOM 718 OD1 ASP A 52 -14.834 -9.126 -5.885 1.00 0.00 O ATOM 719 OD2 ASP A 52 -16.496 -9.859 -4.728 1.00 0.00 O ATOM 0 H ASP A 52 -12.555 -12.147 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.363 -12.113 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.858 -10.705 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.561 -9.693 -3.664 1.00 0.00 H new ATOM 724 N PRO A 53 -12.540 -11.313 -6.712 1.00 0.00 N ATOM 725 CA PRO A 53 -11.381 -10.943 -7.570 1.00 0.00 C ATOM 726 C PRO A 53 -11.114 -9.438 -7.472 1.00 0.00 C ATOM 727 O PRO A 53 -9.996 -8.986 -7.624 1.00 0.00 O ATOM 728 CB PRO A 53 -11.821 -11.335 -8.979 1.00 0.00 C ATOM 729 CG PRO A 53 -13.308 -11.453 -8.931 1.00 0.00 C ATOM 730 CD PRO A 53 -13.692 -11.754 -7.510 1.00 0.00 C ATOM 0 HA PRO A 53 -10.455 -11.438 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.513 -10.584 -9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.365 -12.278 -9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.777 -10.528 -9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.651 -12.245 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.599 -11.222 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.888 -12.817 -7.369 1.00 0.00 H new ATOM 738 N GLY A 54 -12.130 -8.659 -7.220 1.00 0.00 N ATOM 739 CA GLY A 54 -11.931 -7.185 -7.115 1.00 0.00 C ATOM 740 C GLY A 54 -10.789 -6.901 -6.140 1.00 0.00 C ATOM 741 O GLY A 54 -9.992 -6.007 -6.344 1.00 0.00 O ATOM 0 H GLY A 54 -13.089 -8.979 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.701 -6.766 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.847 -6.706 -6.770 1.00 0.00 H new ATOM 745 N VAL A 55 -10.703 -7.657 -5.083 1.00 0.00 N ATOM 746 CA VAL A 55 -9.610 -7.434 -4.095 1.00 0.00 C ATOM 747 C VAL A 55 -8.267 -7.390 -4.824 1.00 0.00 C ATOM 748 O VAL A 55 -7.455 -6.515 -4.599 1.00 0.00 O ATOM 749 CB VAL A 55 -9.677 -8.630 -3.145 1.00 0.00 C ATOM 750 CG1 VAL A 55 -8.558 -8.524 -2.108 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.031 -8.634 -2.433 1.00 0.00 C ATOM 0 H VAL A 55 -11.342 -8.420 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.715 -6.493 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.558 -9.553 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.607 -9.377 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.593 -8.517 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.676 -7.602 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.083 -9.486 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.147 -7.710 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.830 -8.709 -3.171 1.00 0.00 H new ATOM 761 N ALA A 56 -8.029 -8.325 -5.703 1.00 0.00 N ATOM 762 CA ALA A 56 -6.741 -8.331 -6.451 1.00 0.00 C ATOM 763 C ALA A 56 -6.654 -7.079 -7.329 1.00 0.00 C ATOM 764 O ALA A 56 -5.594 -6.705 -7.787 1.00 0.00 O ATOM 765 CB ALA A 56 -6.779 -9.596 -7.310 1.00 0.00 C ATOM 0 H ALA A 56 -8.670 -9.084 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.873 -8.325 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.860 -9.669 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.871 -10.471 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.633 -9.551 -7.986 1.00 0.00 H new ATOM 771 N ASP A 57 -7.762 -6.429 -7.566 1.00 0.00 N ATOM 772 CA ASP A 57 -7.740 -5.203 -8.413 1.00 0.00 C ATOM 773 C ASP A 57 -7.262 -4.012 -7.579 1.00 0.00 C ATOM 774 O ASP A 57 -6.409 -3.254 -7.996 1.00 0.00 O ATOM 775 CB ASP A 57 -9.186 -5.002 -8.870 1.00 0.00 C ATOM 776 CG ASP A 57 -9.221 -4.685 -10.366 1.00 0.00 C ATOM 777 OD1 ASP A 57 -9.245 -5.620 -11.149 1.00 0.00 O ATOM 778 OD2 ASP A 57 -9.225 -3.513 -10.703 1.00 0.00 O ATOM 0 H ASP A 57 -8.680 -6.694 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.064 -5.294 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.769 -5.900 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.645 -4.190 -8.307 1.00 0.00 H new ATOM 783 N LEU A 58 -7.803 -3.840 -6.402 1.00 0.00 N ATOM 784 CA LEU A 58 -7.372 -2.696 -5.549 1.00 0.00 C ATOM 785 C LEU A 58 -5.978 -2.976 -4.987 1.00 0.00 C ATOM 786 O LEU A 58 -5.040 -2.245 -5.235 1.00 0.00 O ATOM 787 CB LEU A 58 -8.402 -2.611 -4.419 1.00 0.00 C ATOM 788 CG LEU A 58 -9.506 -1.619 -4.794 1.00 0.00 C ATOM 789 CD1 LEU A 58 -10.482 -1.472 -3.628 1.00 0.00 C ATOM 790 CD2 LEU A 58 -8.892 -0.254 -5.106 1.00 0.00 C ATOM 0 H LEU A 58 -8.522 -4.440 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.320 -1.761 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.833 -3.595 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.916 -2.296 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.034 -1.991 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.267 -0.765 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.928 -2.441 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.949 -1.105 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.682 0.448 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.360 0.114 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.196 -0.350 -5.939 1.00 0.00 H new ATOM 802 N GLY A 59 -5.835 -4.031 -4.229 1.00 0.00 N ATOM 803 CA GLY A 59 -4.502 -4.358 -3.648 1.00 0.00 C ATOM 804 C GLY A 59 -3.431 -4.274 -4.740 1.00 0.00 C ATOM 805 O GLY A 59 -2.292 -3.940 -4.480 1.00 0.00 O ATOM 0 H GLY A 59 -6.584 -4.680 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.267 -3.666 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.518 -5.359 -3.216 1.00 0.00 H new ATOM 809 N ALA A 60 -3.788 -4.570 -5.960 1.00 0.00 N ATOM 810 CA ALA A 60 -2.788 -4.502 -7.064 1.00 0.00 C ATOM 811 C ALA A 60 -2.586 -3.043 -7.479 1.00 0.00 C ATOM 812 O ALA A 60 -1.499 -2.508 -7.393 1.00 0.00 O ATOM 813 CB ALA A 60 -3.394 -5.313 -8.210 1.00 0.00 C ATOM 0 H ALA A 60 -4.726 -4.855 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.814 -4.895 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.712 -5.308 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.558 -6.340 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.345 -4.871 -8.506 1.00 0.00 H new ATOM 819 N LYS A 61 -3.627 -2.395 -7.927 1.00 0.00 N ATOM 820 CA LYS A 61 -3.493 -0.970 -8.344 1.00 0.00 C ATOM 821 C LYS A 61 -2.842 -0.167 -7.216 1.00 0.00 C ATOM 822 O LYS A 61 -2.024 0.700 -7.449 1.00 0.00 O ATOM 823 CB LYS A 61 -4.923 -0.488 -8.597 1.00 0.00 C ATOM 824 CG LYS A 61 -5.156 -0.347 -10.102 1.00 0.00 C ATOM 825 CD LYS A 61 -6.484 0.372 -10.348 1.00 0.00 C ATOM 826 CE LYS A 61 -6.378 1.222 -11.616 1.00 0.00 C ATOM 827 NZ LYS A 61 -7.645 0.958 -12.353 1.00 0.00 N ATOM 0 H LYS A 61 -4.563 -2.790 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.870 -0.849 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.636 -1.194 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.088 0.469 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.338 0.212 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.170 -1.330 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.289 -0.355 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.732 1.003 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.272 2.280 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.508 0.941 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.652 1.505 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.714 -0.056 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.454 1.241 -11.764 1.00 0.00 H new ATOM 841 N VAL A 62 -3.198 -0.451 -5.992 1.00 0.00 N ATOM 842 CA VAL A 62 -2.599 0.294 -4.849 1.00 0.00 C ATOM 843 C VAL A 62 -1.099 0.001 -4.779 1.00 0.00 C ATOM 844 O VAL A 62 -0.287 0.898 -4.669 1.00 0.00 O ATOM 845 CB VAL A 62 -3.320 -0.230 -3.606 1.00 0.00 C ATOM 846 CG1 VAL A 62 -2.857 0.555 -2.377 1.00 0.00 C ATOM 847 CG2 VAL A 62 -4.831 -0.056 -3.781 1.00 0.00 C ATOM 0 H VAL A 62 -3.878 -1.167 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.711 1.374 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.088 -1.286 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.371 0.181 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.781 0.432 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.088 1.612 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.345 -0.429 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.062 1.001 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.163 -0.615 -4.656 1.00 0.00 H new ATOM 857 N LEU A 63 -0.722 -1.249 -4.845 1.00 0.00 N ATOM 858 CA LEU A 63 0.728 -1.597 -4.788 1.00 0.00 C ATOM 859 C LEU A 63 1.510 -0.703 -5.754 1.00 0.00 C ATOM 860 O LEU A 63 2.555 -0.178 -5.424 1.00 0.00 O ATOM 861 CB LEU A 63 0.804 -3.060 -5.228 1.00 0.00 C ATOM 862 CG LEU A 63 1.184 -3.936 -4.036 1.00 0.00 C ATOM 863 CD1 LEU A 63 2.527 -3.474 -3.468 1.00 0.00 C ATOM 864 CD2 LEU A 63 0.107 -3.821 -2.954 1.00 0.00 C ATOM 0 H LEU A 63 -1.355 -2.043 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 63 1.155 -1.452 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.156 -3.378 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.540 -3.173 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 63 1.265 -4.973 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.797 -4.100 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.295 -3.556 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.447 -2.436 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.378 -4.446 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.026 -2.783 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.850 -4.152 -3.357 1.00 0.00 H new ATOM 876 N ALA A 64 1.007 -0.527 -6.945 1.00 0.00 N ATOM 877 CA ALA A 64 1.715 0.331 -7.937 1.00 0.00 C ATOM 878 C ALA A 64 2.091 1.668 -7.291 1.00 0.00 C ATOM 879 O ALA A 64 3.233 2.082 -7.323 1.00 0.00 O ATOM 880 CB ALA A 64 0.716 0.538 -9.076 1.00 0.00 C ATOM 0 H ALA A 64 0.135 -0.941 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 64 2.639 -0.122 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.167 1.162 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.446 -0.428 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.179 1.027 -8.691 1.00 0.00 H new ATOM 886 N GLN A 65 1.143 2.347 -6.700 1.00 0.00 N ATOM 887 CA GLN A 65 1.459 3.654 -6.050 1.00 0.00 C ATOM 888 C GLN A 65 2.671 3.483 -5.138 1.00 0.00 C ATOM 889 O GLN A 65 3.576 4.294 -5.129 1.00 0.00 O ATOM 890 CB GLN A 65 0.214 4.016 -5.238 1.00 0.00 C ATOM 891 CG GLN A 65 0.185 5.526 -4.993 1.00 0.00 C ATOM 892 CD GLN A 65 0.177 6.273 -6.328 1.00 0.00 C ATOM 893 OE1 GLN A 65 -0.828 6.312 -7.010 1.00 0.00 O ATOM 894 NE2 GLN A 65 1.264 6.871 -6.733 1.00 0.00 N ATOM 0 H GLN A 65 0.168 2.055 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 65 1.700 4.435 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.684 3.706 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.219 3.483 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.699 5.792 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.053 5.824 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.108 6.838 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.270 7.371 -7.622 1.00 0.00 H new ATOM 903 N ILE A 66 2.702 2.425 -4.379 1.00 0.00 N ATOM 904 CA ILE A 66 3.861 2.194 -3.480 1.00 0.00 C ATOM 905 C ILE A 66 5.118 2.014 -4.331 1.00 0.00 C ATOM 906 O ILE A 66 6.216 2.317 -3.909 1.00 0.00 O ATOM 907 CB ILE A 66 3.518 0.916 -2.714 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.262 1.159 -1.871 1.00 0.00 C ATOM 909 CG2 ILE A 66 4.685 0.533 -1.801 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.691 -0.179 -1.400 1.00 0.00 C ATOM 0 H ILE A 66 1.974 1.711 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 66 4.050 3.021 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 66 3.336 0.104 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.504 1.785 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.517 1.697 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.437 -0.378 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.578 0.365 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.872 1.340 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.798 -0.003 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.433 -0.789 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.435 -0.700 -0.798 1.00 0.00 H new ATOM 922 N GLY A 67 4.961 1.533 -5.535 1.00 0.00 N ATOM 923 CA GLY A 67 6.140 1.343 -6.425 1.00 0.00 C ATOM 924 C GLY A 67 6.647 2.712 -6.877 1.00 0.00 C ATOM 925 O GLY A 67 7.800 3.049 -6.697 1.00 0.00 O ATOM 0 H GLY A 67 4.065 1.263 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.928 0.805 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.866 0.739 -7.290 1.00 0.00 H new ATOM 929 N VAL A 68 5.792 3.508 -7.461 1.00 0.00 N ATOM 930 CA VAL A 68 6.230 4.856 -7.918 1.00 0.00 C ATOM 931 C VAL A 68 6.789 5.632 -6.725 1.00 0.00 C ATOM 932 O VAL A 68 7.587 6.536 -6.875 1.00 0.00 O ATOM 933 CB VAL A 68 4.969 5.531 -8.461 1.00 0.00 C ATOM 934 CG1 VAL A 68 5.308 6.948 -8.927 1.00 0.00 C ATOM 935 CG2 VAL A 68 4.429 4.722 -9.643 1.00 0.00 C ATOM 0 H VAL A 68 4.813 3.283 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 68 7.011 4.811 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 68 4.215 5.578 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.409 7.429 -9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.695 7.525 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.062 6.902 -9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.530 5.201 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.184 4.676 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.188 3.712 -9.312 1.00 0.00 H new ATOM 945 N ALA A 69 6.373 5.282 -5.539 1.00 0.00 N ATOM 946 CA ALA A 69 6.875 5.993 -4.332 1.00 0.00 C ATOM 947 C ALA A 69 8.189 5.355 -3.870 1.00 0.00 C ATOM 948 O ALA A 69 8.947 5.944 -3.125 1.00 0.00 O ATOM 949 CB ALA A 69 5.777 5.815 -3.283 1.00 0.00 C ATOM 0 H ALA A 69 5.706 4.533 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 69 7.081 7.047 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.072 6.313 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.849 6.252 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.626 4.753 -3.090 1.00 0.00 H new ATOM 955 N VAL A 70 8.467 4.154 -4.307 1.00 0.00 N ATOM 956 CA VAL A 70 9.735 3.484 -3.893 1.00 0.00 C ATOM 957 C VAL A 70 10.916 4.103 -4.650 1.00 0.00 C ATOM 958 O VAL A 70 12.060 3.925 -4.281 1.00 0.00 O ATOM 959 CB VAL A 70 9.555 2.007 -4.264 1.00 0.00 C ATOM 960 CG1 VAL A 70 10.903 1.284 -4.191 1.00 0.00 C ATOM 961 CG2 VAL A 70 8.581 1.353 -3.282 1.00 0.00 C ATOM 0 H VAL A 70 7.872 3.609 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 70 9.942 3.600 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 70 9.162 1.938 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.768 0.235 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.602 1.747 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.299 1.355 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.451 0.303 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.979 1.429 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.618 1.861 -3.332 1.00 0.00 H new ATOM 971 N SER A 71 10.652 4.823 -5.706 1.00 0.00 N ATOM 972 CA SER A 71 11.766 5.443 -6.480 1.00 0.00 C ATOM 973 C SER A 71 12.103 6.824 -5.906 1.00 0.00 C ATOM 974 O SER A 71 12.840 7.585 -6.500 1.00 0.00 O ATOM 975 CB SER A 71 11.240 5.566 -7.910 1.00 0.00 C ATOM 976 OG SER A 71 11.042 4.266 -8.450 1.00 0.00 O ATOM 0 H SER A 71 9.716 5.009 -6.066 1.00 0.00 H new ATOM 0 HA SER A 71 12.679 4.850 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.303 6.123 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.948 6.124 -8.524 1.00 0.00 H new ATOM 0 HG SER A 71 10.703 4.341 -9.366 1.00 0.00 H new ATOM 982 N HIS A 72 11.575 7.156 -4.758 1.00 0.00 N ATOM 983 CA HIS A 72 11.876 8.489 -4.161 1.00 0.00 C ATOM 984 C HIS A 72 11.542 8.479 -2.667 1.00 0.00 C ATOM 985 O HIS A 72 10.705 9.226 -2.204 1.00 0.00 O ATOM 986 CB HIS A 72 10.978 9.476 -4.906 1.00 0.00 C ATOM 987 CG HIS A 72 11.660 9.922 -6.169 1.00 0.00 C ATOM 988 ND1 HIS A 72 13.022 10.172 -6.226 1.00 0.00 N ATOM 989 CD2 HIS A 72 11.180 10.169 -7.430 1.00 0.00 C ATOM 990 CE1 HIS A 72 13.312 10.551 -7.484 1.00 0.00 C ATOM 991 NE2 HIS A 72 12.225 10.566 -8.260 1.00 0.00 N ATOM 0 H HIS A 72 10.951 6.564 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 72 12.929 8.755 -4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 72 10.023 9.007 -5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 72 10.763 10.337 -4.273 1.00 0.00 H new ATOM 0 HD2 HIS A 72 10.148 10.070 -7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 72 14.303 10.811 -7.825 1.00 0.00 H new ATOM 0 HE2 HIS A 72 12.172 10.815 -9.248 1.00 0.00 H new ATOM 1000 N LEU A 73 12.191 7.641 -1.908 1.00 0.00 N ATOM 1001 CA LEU A 73 11.908 7.593 -0.446 1.00 0.00 C ATOM 1002 C LEU A 73 12.542 8.805 0.236 1.00 0.00 C ATOM 1003 O LEU A 73 11.948 9.435 1.088 1.00 0.00 O ATOM 1004 CB LEU A 73 12.556 6.299 0.046 1.00 0.00 C ATOM 1005 CG LEU A 73 11.494 5.206 0.161 1.00 0.00 C ATOM 1006 CD1 LEU A 73 10.484 5.586 1.245 1.00 0.00 C ATOM 1007 CD2 LEU A 73 10.770 5.055 -1.178 1.00 0.00 C ATOM 0 H LEU A 73 12.903 6.989 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 73 10.841 7.615 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.340 5.987 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.030 6.463 1.014 1.00 0.00 H new ATOM 0 HG LEU A 73 11.972 4.263 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.727 4.806 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.998 5.694 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.006 6.530 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.013 4.275 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.293 5.999 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.488 4.783 -1.951 1.00 0.00 H new ATOM 1019 N GLY A 74 13.748 9.133 -0.133 1.00 0.00 N ATOM 1020 CA GLY A 74 14.428 10.303 0.492 1.00 0.00 C ATOM 1021 C GLY A 74 13.888 11.593 -0.130 1.00 0.00 C ATOM 1022 O GLY A 74 13.900 12.641 0.484 1.00 0.00 O ATOM 0 H GLY A 74 14.294 8.642 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.257 10.305 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.505 10.236 0.341 1.00 0.00 H new ATOM 1026 N ASP A 75 13.416 11.526 -1.344 1.00 0.00 N ATOM 1027 CA ASP A 75 12.878 12.751 -2.002 1.00 0.00 C ATOM 1028 C ASP A 75 11.370 12.846 -1.759 1.00 0.00 C ATOM 1029 O ASP A 75 10.573 12.382 -2.551 1.00 0.00 O ATOM 1030 CB ASP A 75 13.178 12.575 -3.491 1.00 0.00 C ATOM 1031 CG ASP A 75 14.417 13.386 -3.874 1.00 0.00 C ATOM 1032 OD1 ASP A 75 14.362 14.600 -3.765 1.00 0.00 O ATOM 1033 OD2 ASP A 75 15.399 12.780 -4.268 1.00 0.00 O ATOM 0 H ASP A 75 13.379 10.677 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 75 13.326 13.665 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.339 11.521 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.323 12.900 -4.084 1.00 0.00 H new ATOM 1038 N GLU A 76 10.973 13.448 -0.672 1.00 0.00 N ATOM 1039 CA GLU A 76 9.517 13.576 -0.380 1.00 0.00 C ATOM 1040 C GLU A 76 9.014 14.932 -0.879 1.00 0.00 C ATOM 1041 O GLU A 76 8.266 15.614 -0.206 1.00 0.00 O ATOM 1042 CB GLU A 76 9.401 13.482 1.142 1.00 0.00 C ATOM 1043 CG GLU A 76 10.262 14.570 1.788 1.00 0.00 C ATOM 1044 CD GLU A 76 11.368 13.932 2.630 1.00 0.00 C ATOM 1045 OE1 GLU A 76 11.931 12.946 2.184 1.00 0.00 O ATOM 1046 OE2 GLU A 76 11.633 14.440 3.707 1.00 0.00 O ATOM 0 H GLU A 76 11.594 13.857 0.027 1.00 0.00 H new ATOM 0 HA GLU A 76 8.922 12.807 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.361 13.598 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.724 12.498 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.700 15.204 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.642 15.212 2.414 1.00 0.00 H new ATOM 1053 N GLY A 77 9.421 15.330 -2.053 1.00 0.00 N ATOM 1054 CA GLY A 77 8.968 16.643 -2.592 1.00 0.00 C ATOM 1055 C GLY A 77 8.082 16.412 -3.817 1.00 0.00 C ATOM 1056 O GLY A 77 7.298 17.260 -4.194 1.00 0.00 O ATOM 0 H GLY A 77 10.047 14.803 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.416 17.191 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.829 17.254 -2.863 1.00 0.00 H new ATOM 1060 N LYS A 78 8.197 15.272 -4.443 1.00 0.00 N ATOM 1061 CA LYS A 78 7.356 14.999 -5.644 1.00 0.00 C ATOM 1062 C LYS A 78 6.595 13.684 -5.463 1.00 0.00 C ATOM 1063 O LYS A 78 5.383 13.648 -5.522 1.00 0.00 O ATOM 1064 CB LYS A 78 8.333 14.898 -6.814 1.00 0.00 C ATOM 1065 CG LYS A 78 7.578 14.431 -8.059 1.00 0.00 C ATOM 1066 CD LYS A 78 8.557 14.280 -9.226 1.00 0.00 C ATOM 1067 CE LYS A 78 9.166 15.644 -9.562 1.00 0.00 C ATOM 1068 NZ LYS A 78 10.567 15.563 -9.063 1.00 0.00 N ATOM 0 H LYS A 78 8.834 14.521 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 78 6.614 15.780 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.800 15.866 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.134 14.198 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.083 13.480 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.799 15.149 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.344 13.573 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.041 13.876 -10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.138 15.837 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.619 16.453 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.941 16.523 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.584 15.048 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.155 15.061 -9.759 1.00 0.00 H new ATOM 1082 N MET A 79 7.291 12.601 -5.249 1.00 0.00 N ATOM 1083 CA MET A 79 6.592 11.296 -5.071 1.00 0.00 C ATOM 1084 C MET A 79 5.492 11.451 -4.016 1.00 0.00 C ATOM 1085 O MET A 79 4.521 10.722 -4.003 1.00 0.00 O ATOM 1086 CB MET A 79 7.674 10.310 -4.620 1.00 0.00 C ATOM 1087 CG MET A 79 8.065 10.590 -3.170 1.00 0.00 C ATOM 1088 SD MET A 79 7.122 9.501 -2.079 1.00 0.00 S ATOM 1089 CE MET A 79 8.139 9.745 -0.608 1.00 0.00 C ATOM 0 H MET A 79 8.309 12.563 -5.190 1.00 0.00 H new ATOM 0 HA MET A 79 6.109 10.945 -5.983 1.00 0.00 H new ATOM 0 HB2 MET A 79 7.309 9.288 -4.716 1.00 0.00 H new ATOM 0 HB3 MET A 79 8.549 10.397 -5.264 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.134 10.427 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.867 11.633 -2.922 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.759 8.864 -0.444 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.778 10.617 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.495 9.902 0.258 1.00 0.00 H new ATOM 1099 N VAL A 80 5.637 12.406 -3.138 1.00 0.00 N ATOM 1100 CA VAL A 80 4.601 12.620 -2.091 1.00 0.00 C ATOM 1101 C VAL A 80 3.474 13.487 -2.660 1.00 0.00 C ATOM 1102 O VAL A 80 2.388 13.542 -2.117 1.00 0.00 O ATOM 1103 CB VAL A 80 5.320 13.344 -0.953 1.00 0.00 C ATOM 1104 CG1 VAL A 80 4.304 13.752 0.116 1.00 0.00 C ATOM 1105 CG2 VAL A 80 6.362 12.411 -0.333 1.00 0.00 C ATOM 0 H VAL A 80 6.429 13.047 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 80 4.153 11.688 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 80 5.814 14.234 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.817 14.268 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.560 14.416 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.810 12.862 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.875 12.927 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.867 11.522 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.087 12.119 -1.093 1.00 0.00 H new ATOM 1115 N ALA A 81 3.719 14.162 -3.753 1.00 0.00 N ATOM 1116 CA ALA A 81 2.656 15.017 -4.352 1.00 0.00 C ATOM 1117 C ALA A 81 1.581 14.126 -4.975 1.00 0.00 C ATOM 1118 O ALA A 81 0.401 14.401 -4.884 1.00 0.00 O ATOM 1119 CB ALA A 81 3.363 15.849 -5.424 1.00 0.00 C ATOM 0 H ALA A 81 4.607 14.157 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 81 2.164 15.655 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.641 16.505 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.145 16.450 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.807 15.185 -6.166 1.00 0.00 H new ATOM 1125 N GLU A 82 1.980 13.054 -5.605 1.00 0.00 N ATOM 1126 CA GLU A 82 0.982 12.142 -6.229 1.00 0.00 C ATOM 1127 C GLU A 82 0.200 11.420 -5.131 1.00 0.00 C ATOM 1128 O GLU A 82 -1.014 11.363 -5.155 1.00 0.00 O ATOM 1129 CB GLU A 82 1.802 11.150 -7.056 1.00 0.00 C ATOM 1130 CG GLU A 82 1.023 10.768 -8.316 1.00 0.00 C ATOM 1131 CD GLU A 82 1.807 9.731 -9.121 1.00 0.00 C ATOM 1132 OE1 GLU A 82 3.016 9.871 -9.214 1.00 0.00 O ATOM 1133 OE2 GLU A 82 1.186 8.813 -9.632 1.00 0.00 O ATOM 0 H GLU A 82 2.954 12.771 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 82 0.259 12.671 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.760 11.592 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.018 10.260 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.047 10.366 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.844 11.654 -8.925 1.00 0.00 H new ATOM 1140 N MET A 83 0.885 10.873 -4.164 1.00 0.00 N ATOM 1141 CA MET A 83 0.179 10.162 -3.063 1.00 0.00 C ATOM 1142 C MET A 83 -0.782 11.131 -2.373 1.00 0.00 C ATOM 1143 O MET A 83 -1.930 10.816 -2.131 1.00 0.00 O ATOM 1144 CB MET A 83 1.280 9.708 -2.104 1.00 0.00 C ATOM 1145 CG MET A 83 2.005 8.499 -2.698 1.00 0.00 C ATOM 1146 SD MET A 83 2.015 7.149 -1.493 1.00 0.00 S ATOM 1147 CE MET A 83 0.231 6.849 -1.471 1.00 0.00 C ATOM 0 H MET A 83 1.902 10.888 -4.090 1.00 0.00 H new ATOM 0 HA MET A 83 -0.410 9.315 -3.415 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.986 10.521 -1.932 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.850 9.449 -1.136 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.510 8.179 -3.615 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.026 8.769 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.072 6.529 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.296 7.767 -1.734 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.016 6.070 -2.192 1.00 0.00 H new ATOM 1157 N LYS A 84 -0.324 12.313 -2.061 1.00 0.00 N ATOM 1158 CA LYS A 84 -1.215 13.304 -1.396 1.00 0.00 C ATOM 1159 C LYS A 84 -2.494 13.460 -2.219 1.00 0.00 C ATOM 1160 O LYS A 84 -3.569 13.654 -1.686 1.00 0.00 O ATOM 1161 CB LYS A 84 -0.422 14.612 -1.373 1.00 0.00 C ATOM 1162 CG LYS A 84 -0.005 14.932 0.064 1.00 0.00 C ATOM 1163 CD LYS A 84 -0.094 16.441 0.297 1.00 0.00 C ATOM 1164 CE LYS A 84 1.043 16.883 1.222 1.00 0.00 C ATOM 1165 NZ LYS A 84 0.835 18.347 1.402 1.00 0.00 N ATOM 0 H LYS A 84 0.628 12.634 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.506 13.001 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.460 14.526 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.027 15.424 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.651 14.406 0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.012 14.585 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.031 16.971 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.057 16.695 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.005 16.357 2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.017 16.673 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.575 18.729 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.883 18.821 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.098 18.515 1.829 1.00 0.00 H new ATOM 1179 N ALA A 85 -2.386 13.371 -3.516 1.00 0.00 N ATOM 1180 CA ALA A 85 -3.594 13.508 -4.375 1.00 0.00 C ATOM 1181 C ALA A 85 -4.498 12.290 -4.178 1.00 0.00 C ATOM 1182 O ALA A 85 -5.701 12.411 -4.067 1.00 0.00 O ATOM 1183 CB ALA A 85 -3.065 13.566 -5.810 1.00 0.00 C ATOM 0 H ALA A 85 -1.513 13.209 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.183 14.393 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.901 13.667 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.399 14.422 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.518 12.650 -6.033 1.00 0.00 H new ATOM 1189 N VAL A 86 -3.927 11.117 -4.130 1.00 0.00 N ATOM 1190 CA VAL A 86 -4.759 9.894 -3.938 1.00 0.00 C ATOM 1191 C VAL A 86 -5.680 10.092 -2.733 1.00 0.00 C ATOM 1192 O VAL A 86 -6.834 9.714 -2.752 1.00 0.00 O ATOM 1193 CB VAL A 86 -3.772 8.755 -3.686 1.00 0.00 C ATOM 1194 CG1 VAL A 86 -4.525 7.424 -3.686 1.00 0.00 C ATOM 1195 CG2 VAL A 86 -2.717 8.739 -4.794 1.00 0.00 C ATOM 0 H VAL A 86 -2.924 10.952 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.389 9.680 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.285 8.902 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.824 6.609 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.280 7.433 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.009 7.280 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.013 7.927 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.204 8.591 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.182 9.688 -4.800 1.00 0.00 H new ATOM 1205 N GLY A 87 -5.186 10.692 -1.686 1.00 0.00 N ATOM 1206 CA GLY A 87 -6.050 10.920 -0.496 1.00 0.00 C ATOM 1207 C GLY A 87 -7.260 11.742 -0.937 1.00 0.00 C ATOM 1208 O GLY A 87 -8.393 11.390 -0.678 1.00 0.00 O ATOM 0 H GLY A 87 -4.228 11.032 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.371 9.969 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.496 11.446 0.281 1.00 0.00 H new ATOM 1212 N VAL A 88 -7.024 12.829 -1.621 1.00 0.00 N ATOM 1213 CA VAL A 88 -8.159 13.668 -2.099 1.00 0.00 C ATOM 1214 C VAL A 88 -9.117 12.793 -2.908 1.00 0.00 C ATOM 1215 O VAL A 88 -10.319 12.958 -2.859 1.00 0.00 O ATOM 1216 CB VAL A 88 -7.525 14.744 -2.981 1.00 0.00 C ATOM 1217 CG1 VAL A 88 -8.623 15.609 -3.602 1.00 0.00 C ATOM 1218 CG2 VAL A 88 -6.605 15.623 -2.130 1.00 0.00 C ATOM 0 H VAL A 88 -6.096 13.171 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.729 14.115 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.946 14.269 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.170 16.376 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.279 14.984 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.203 16.084 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.152 16.391 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.185 16.097 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.822 15.008 -1.687 1.00 0.00 H new ATOM 1228 N ARG A 89 -8.590 11.852 -3.643 1.00 0.00 N ATOM 1229 CA ARG A 89 -9.467 10.953 -4.443 1.00 0.00 C ATOM 1230 C ARG A 89 -10.306 10.098 -3.489 1.00 0.00 C ATOM 1231 O ARG A 89 -11.498 9.940 -3.663 1.00 0.00 O ATOM 1232 CB ARG A 89 -8.510 10.083 -5.267 1.00 0.00 C ATOM 1233 CG ARG A 89 -8.242 10.739 -6.625 1.00 0.00 C ATOM 1234 CD ARG A 89 -7.792 12.189 -6.428 1.00 0.00 C ATOM 1235 NE ARG A 89 -6.802 12.446 -7.511 1.00 0.00 N ATOM 1236 CZ ARG A 89 -6.817 13.583 -8.151 1.00 0.00 C ATOM 1237 NH1 ARG A 89 -7.950 14.098 -8.541 1.00 0.00 N ATOM 1238 NH2 ARG A 89 -5.697 14.204 -8.402 1.00 0.00 N ATOM 0 H ARG A 89 -7.590 11.668 -3.724 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.157 11.495 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.572 9.948 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.940 9.092 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.475 10.181 -7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.144 10.710 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.636 12.875 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.344 12.331 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.113 11.734 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.825 13.612 -8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.961 14.987 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.811 13.801 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.708 15.093 -8.902 1.00 0.00 H new ATOM 1252 N HIS A 90 -9.688 9.557 -2.473 1.00 0.00 N ATOM 1253 CA HIS A 90 -10.438 8.720 -1.492 1.00 0.00 C ATOM 1254 C HIS A 90 -11.469 9.586 -0.751 1.00 0.00 C ATOM 1255 O HIS A 90 -12.334 9.082 -0.064 1.00 0.00 O ATOM 1256 CB HIS A 90 -9.370 8.202 -0.520 1.00 0.00 C ATOM 1257 CG HIS A 90 -8.694 6.984 -1.097 1.00 0.00 C ATOM 1258 ND1 HIS A 90 -8.006 7.019 -2.297 1.00 0.00 N ATOM 1259 CD2 HIS A 90 -8.579 5.693 -0.639 1.00 0.00 C ATOM 1260 CE1 HIS A 90 -7.512 5.786 -2.519 1.00 0.00 C ATOM 1261 NE2 HIS A 90 -7.830 4.933 -1.539 1.00 0.00 N ATOM 0 H HIS A 90 -8.692 9.659 -2.280 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.985 7.905 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.632 8.981 -0.329 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.828 7.954 0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -7.893 7.831 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.005 5.322 0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.928 5.517 -3.387 1.00 0.00 H new ATOM 1269 N LYS A 91 -11.381 10.884 -0.879 1.00 0.00 N ATOM 1270 CA LYS A 91 -12.353 11.771 -0.174 1.00 0.00 C ATOM 1271 C LYS A 91 -13.719 11.725 -0.867 1.00 0.00 C ATOM 1272 O LYS A 91 -14.691 12.258 -0.369 1.00 0.00 O ATOM 1273 CB LYS A 91 -11.755 13.175 -0.264 1.00 0.00 C ATOM 1274 CG LYS A 91 -12.643 14.159 0.501 1.00 0.00 C ATOM 1275 CD LYS A 91 -13.591 14.858 -0.475 1.00 0.00 C ATOM 1276 CE LYS A 91 -12.831 15.950 -1.233 1.00 0.00 C ATOM 1277 NZ LYS A 91 -13.540 17.213 -0.885 1.00 0.00 N ATOM 0 H LYS A 91 -10.680 11.367 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.512 11.462 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.747 13.180 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.671 13.480 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.215 13.631 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.027 14.896 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.005 14.134 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.431 15.294 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.784 15.987 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.846 15.770 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.281 17.955 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.567 17.055 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.267 17.512 0.073 1.00 0.00 H new ATOM 1291 N GLY A 92 -13.808 11.101 -2.011 1.00 0.00 N ATOM 1292 CA GLY A 92 -15.121 11.040 -2.718 1.00 0.00 C ATOM 1293 C GLY A 92 -15.183 9.775 -3.576 1.00 0.00 C ATOM 1294 O GLY A 92 -15.376 9.836 -4.774 1.00 0.00 O ATOM 0 H GLY A 92 -13.035 10.634 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.936 11.041 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.250 11.923 -3.344 1.00 0.00 H new ATOM 1298 N TYR A 93 -15.023 8.630 -2.974 1.00 0.00 N ATOM 1299 CA TYR A 93 -15.076 7.362 -3.758 1.00 0.00 C ATOM 1300 C TYR A 93 -16.523 6.864 -3.839 1.00 0.00 C ATOM 1301 O TYR A 93 -17.452 7.569 -3.497 1.00 0.00 O ATOM 1302 CB TYR A 93 -14.180 6.380 -2.990 1.00 0.00 C ATOM 1303 CG TYR A 93 -12.736 6.479 -3.463 1.00 0.00 C ATOM 1304 CD1 TYR A 93 -12.321 7.518 -4.317 1.00 0.00 C ATOM 1305 CD2 TYR A 93 -11.806 5.520 -3.040 1.00 0.00 C ATOM 1306 CE1 TYR A 93 -10.991 7.589 -4.740 1.00 0.00 C ATOM 1307 CE2 TYR A 93 -10.474 5.597 -3.465 1.00 0.00 C ATOM 1308 CZ TYR A 93 -10.067 6.630 -4.314 1.00 0.00 C ATOM 1309 OH TYR A 93 -8.754 6.703 -4.734 1.00 0.00 O ATOM 0 H TYR A 93 -14.858 8.516 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.733 7.483 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.233 6.592 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.544 5.362 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.032 8.262 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.117 4.720 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.676 8.386 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.760 4.857 -3.136 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.703 6.487 -5.689 1.00 0.00 H new ATOM 1319 N GLY A 94 -16.722 5.664 -4.312 1.00 0.00 N ATOM 1320 CA GLY A 94 -18.110 5.131 -4.444 1.00 0.00 C ATOM 1321 C GLY A 94 -18.643 4.681 -3.080 1.00 0.00 C ATOM 1322 O GLY A 94 -19.807 4.361 -2.941 1.00 0.00 O ATOM 0 H GLY A 94 -15.983 5.028 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.762 5.898 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.119 4.292 -5.140 1.00 0.00 H new ATOM 1326 N ASN A 95 -17.815 4.647 -2.073 1.00 0.00 N ATOM 1327 CA ASN A 95 -18.305 4.208 -0.735 1.00 0.00 C ATOM 1328 C ASN A 95 -18.291 5.388 0.240 1.00 0.00 C ATOM 1329 O ASN A 95 -19.015 5.406 1.216 1.00 0.00 O ATOM 1330 CB ASN A 95 -17.332 3.119 -0.285 1.00 0.00 C ATOM 1331 CG ASN A 95 -15.909 3.672 -0.246 1.00 0.00 C ATOM 1332 OD1 ASN A 95 -15.395 4.134 -1.245 1.00 0.00 O ATOM 1333 ND2 ASN A 95 -15.246 3.643 0.875 1.00 0.00 N ATOM 0 H ASN A 95 -16.828 4.902 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 95 -19.329 3.837 -0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -17.615 2.752 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -17.382 2.270 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.295 4.008 0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.678 3.255 1.713 1.00 0.00 H new ATOM 1340 N LYS A 96 -17.478 6.374 -0.014 1.00 0.00 N ATOM 1341 CA LYS A 96 -17.425 7.550 0.900 1.00 0.00 C ATOM 1342 C LYS A 96 -17.234 7.075 2.343 1.00 0.00 C ATOM 1343 O LYS A 96 -17.647 7.727 3.282 1.00 0.00 O ATOM 1344 CB LYS A 96 -18.774 8.251 0.731 1.00 0.00 C ATOM 1345 CG LYS A 96 -18.861 8.854 -0.673 1.00 0.00 C ATOM 1346 CD LYS A 96 -20.056 8.252 -1.415 1.00 0.00 C ATOM 1347 CE LYS A 96 -20.135 8.847 -2.823 1.00 0.00 C ATOM 1348 NZ LYS A 96 -20.724 10.201 -2.627 1.00 0.00 N ATOM 0 H LYS A 96 -16.848 6.417 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.596 8.220 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -19.587 7.541 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -18.887 9.033 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -18.967 9.937 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.941 8.656 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.954 7.168 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -20.977 8.457 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.149 8.907 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -20.756 8.235 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -21.550 10.314 -3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -21.019 10.311 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.015 10.925 -2.859 1.00 0.00 H new ATOM 1362 N HIS A 97 -16.605 5.947 2.526 1.00 0.00 N ATOM 1363 CA HIS A 97 -16.377 5.429 3.906 1.00 0.00 C ATOM 1364 C HIS A 97 -14.898 5.072 4.074 1.00 0.00 C ATOM 1365 O HIS A 97 -14.554 4.086 4.696 1.00 0.00 O ATOM 1366 CB HIS A 97 -17.249 4.176 4.021 1.00 0.00 C ATOM 1367 CG HIS A 97 -18.702 4.562 3.966 1.00 0.00 C ATOM 1368 ND1 HIS A 97 -19.664 3.735 3.409 1.00 0.00 N ATOM 1369 CD2 HIS A 97 -19.373 5.679 4.398 1.00 0.00 C ATOM 1370 CE1 HIS A 97 -20.851 4.360 3.519 1.00 0.00 C ATOM 1371 NE2 HIS A 97 -20.730 5.550 4.115 1.00 0.00 N ATOM 0 H HIS A 97 -16.238 5.359 1.778 1.00 0.00 H new ATOM 0 HA HIS A 97 -16.630 6.160 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -17.016 3.484 3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.036 3.657 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -18.917 6.529 4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.787 3.950 3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -21.472 6.220 4.319 1.00 0.00 H new ATOM 1380 N ILE A 98 -14.021 5.859 3.515 1.00 0.00 N ATOM 1381 CA ILE A 98 -12.565 5.558 3.632 1.00 0.00 C ATOM 1382 C ILE A 98 -12.000 6.187 4.906 1.00 0.00 C ATOM 1383 O ILE A 98 -12.518 7.162 5.412 1.00 0.00 O ATOM 1384 CB ILE A 98 -11.928 6.180 2.391 1.00 0.00 C ATOM 1385 CG1 ILE A 98 -12.571 5.576 1.143 1.00 0.00 C ATOM 1386 CG2 ILE A 98 -10.428 5.886 2.386 1.00 0.00 C ATOM 1387 CD1 ILE A 98 -11.898 6.141 -0.107 1.00 0.00 C ATOM 0 H ILE A 98 -14.249 6.698 2.982 1.00 0.00 H new ATOM 0 HA ILE A 98 -12.366 4.488 3.693 1.00 0.00 H new ATOM 0 HB ILE A 98 -12.084 7.259 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.474 4.490 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.638 5.800 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.973 6.330 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.971 6.310 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -10.269 4.808 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.359 5.708 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.018 7.224 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.836 5.894 -0.092 1.00 0.00 H new ATOM 1399 N LYS A 99 -10.937 5.639 5.430 1.00 0.00 N ATOM 1400 CA LYS A 99 -10.346 6.212 6.672 1.00 0.00 C ATOM 1401 C LYS A 99 -8.854 5.887 6.744 1.00 0.00 C ATOM 1402 O LYS A 99 -8.404 4.866 6.260 1.00 0.00 O ATOM 1403 CB LYS A 99 -11.092 5.537 7.822 1.00 0.00 C ATOM 1404 CG LYS A 99 -12.458 6.196 7.998 1.00 0.00 C ATOM 1405 CD LYS A 99 -13.519 5.374 7.267 1.00 0.00 C ATOM 1406 CE LYS A 99 -14.583 4.914 8.265 1.00 0.00 C ATOM 1407 NZ LYS A 99 -15.190 3.706 7.641 1.00 0.00 N ATOM 0 H LYS A 99 -10.455 4.823 5.053 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.441 7.297 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.213 4.473 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.515 5.620 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.705 6.268 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.436 7.213 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.978 5.971 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.059 4.511 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.142 4.680 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.330 5.690 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.211 3.688 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.039 3.733 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.745 2.852 8.034 1.00 0.00 H new ATOM 1421 N ALA A 100 -8.085 6.743 7.360 1.00 0.00 N ATOM 1422 CA ALA A 100 -6.624 6.485 7.481 1.00 0.00 C ATOM 1423 C ALA A 100 -6.369 5.499 8.629 1.00 0.00 C ATOM 1424 O ALA A 100 -5.269 5.016 8.812 1.00 0.00 O ATOM 1425 CB ALA A 100 -6.010 7.850 7.790 1.00 0.00 C ATOM 0 H ALA A 100 -8.408 7.612 7.785 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.195 6.046 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.930 7.748 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.232 8.541 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.430 8.236 8.719 1.00 0.00 H new ATOM 1431 N GLU A 101 -7.377 5.194 9.402 1.00 0.00 N ATOM 1432 CA GLU A 101 -7.189 4.241 10.531 1.00 0.00 C ATOM 1433 C GLU A 101 -6.931 2.841 9.974 1.00 0.00 C ATOM 1434 O GLU A 101 -6.243 2.040 10.575 1.00 0.00 O ATOM 1435 CB GLU A 101 -8.501 4.283 11.319 1.00 0.00 C ATOM 1436 CG GLU A 101 -9.646 3.787 10.434 1.00 0.00 C ATOM 1437 CD GLU A 101 -10.977 4.355 10.932 1.00 0.00 C ATOM 1438 OE1 GLU A 101 -10.948 5.168 11.841 1.00 0.00 O ATOM 1439 OE2 GLU A 101 -12.002 3.967 10.396 1.00 0.00 O ATOM 0 H GLU A 101 -8.322 5.564 9.299 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.340 4.500 11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.422 3.661 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.702 5.300 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.476 4.090 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.679 2.698 10.445 1.00 0.00 H new ATOM 1446 N TYR A 102 -7.478 2.540 8.827 1.00 0.00 N ATOM 1447 CA TYR A 102 -7.263 1.190 8.230 1.00 0.00 C ATOM 1448 C TYR A 102 -5.921 1.159 7.490 1.00 0.00 C ATOM 1449 O TYR A 102 -5.357 0.110 7.250 1.00 0.00 O ATOM 1450 CB TYR A 102 -8.418 0.996 7.249 1.00 0.00 C ATOM 1451 CG TYR A 102 -9.725 1.016 8.001 1.00 0.00 C ATOM 1452 CD1 TYR A 102 -10.034 -0.015 8.896 1.00 0.00 C ATOM 1453 CD2 TYR A 102 -10.628 2.064 7.800 1.00 0.00 C ATOM 1454 CE1 TYR A 102 -11.249 0.005 9.592 1.00 0.00 C ATOM 1455 CE2 TYR A 102 -11.843 2.085 8.495 1.00 0.00 C ATOM 1456 CZ TYR A 102 -12.153 1.055 9.391 1.00 0.00 C ATOM 1457 OH TYR A 102 -13.351 1.074 10.077 1.00 0.00 O ATOM 0 H TYR A 102 -8.064 3.169 8.278 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.237 0.402 8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.407 1.785 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.305 0.050 6.720 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.336 -0.825 9.050 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.388 2.858 7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -11.489 -0.789 10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.540 2.895 8.340 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.925 0.349 9.753 1.00 0.00 H new ATOM 1467 N PHE A 103 -5.414 2.303 7.121 1.00 0.00 N ATOM 1468 CA PHE A 103 -4.116 2.350 6.387 1.00 0.00 C ATOM 1469 C PHE A 103 -3.011 1.678 7.209 1.00 0.00 C ATOM 1470 O PHE A 103 -2.502 0.636 6.849 1.00 0.00 O ATOM 1471 CB PHE A 103 -3.814 3.838 6.209 1.00 0.00 C ATOM 1472 CG PHE A 103 -4.441 4.340 4.931 1.00 0.00 C ATOM 1473 CD1 PHE A 103 -5.808 4.145 4.695 1.00 0.00 C ATOM 1474 CD2 PHE A 103 -3.655 5.005 3.984 1.00 0.00 C ATOM 1475 CE1 PHE A 103 -6.387 4.616 3.509 1.00 0.00 C ATOM 1476 CE2 PHE A 103 -4.234 5.476 2.799 1.00 0.00 C ATOM 1477 CZ PHE A 103 -5.599 5.281 2.562 1.00 0.00 C ATOM 0 H PHE A 103 -5.844 3.211 7.297 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.167 1.824 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.200 4.401 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.736 3.999 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.415 3.632 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.601 5.155 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -7.441 4.466 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.627 5.990 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.045 5.644 1.648 1.00 0.00 H new ATOM 1487 N GLU A 104 -2.627 2.282 8.300 1.00 0.00 N ATOM 1488 CA GLU A 104 -1.540 1.706 9.149 1.00 0.00 C ATOM 1489 C GLU A 104 -1.719 0.194 9.320 1.00 0.00 C ATOM 1490 O GLU A 104 -0.854 -0.575 8.951 1.00 0.00 O ATOM 1491 CB GLU A 104 -1.667 2.418 10.496 1.00 0.00 C ATOM 1492 CG GLU A 104 -0.650 3.558 10.571 1.00 0.00 C ATOM 1493 CD GLU A 104 -0.648 4.166 11.974 1.00 0.00 C ATOM 1494 OE1 GLU A 104 -0.401 3.431 12.916 1.00 0.00 O ATOM 1495 OE2 GLU A 104 -0.894 5.356 12.084 1.00 0.00 O ATOM 0 H GLU A 104 -3.022 3.157 8.644 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.558 1.850 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.677 2.809 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.498 1.712 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.345 3.186 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.894 4.323 9.834 1.00 0.00 H new ATOM 1502 N PRO A 105 -2.831 -0.184 9.886 1.00 0.00 N ATOM 1503 CA PRO A 105 -3.082 -1.634 10.104 1.00 0.00 C ATOM 1504 C PRO A 105 -2.993 -2.387 8.776 1.00 0.00 C ATOM 1505 O PRO A 105 -2.300 -3.378 8.660 1.00 0.00 O ATOM 1506 CB PRO A 105 -4.495 -1.692 10.689 1.00 0.00 C ATOM 1507 CG PRO A 105 -5.077 -0.326 10.525 1.00 0.00 C ATOM 1508 CD PRO A 105 -3.938 0.641 10.378 1.00 0.00 C ATOM 0 HA PRO A 105 -2.353 -2.100 10.767 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.099 -2.436 10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.468 -1.979 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.725 -0.289 9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.691 -0.066 11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.181 1.440 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.691 1.114 11.329 1.00 0.00 H new ATOM 1516 N LEU A 106 -3.683 -1.925 7.771 1.00 0.00 N ATOM 1517 CA LEU A 106 -3.626 -2.618 6.454 1.00 0.00 C ATOM 1518 C LEU A 106 -2.210 -2.504 5.882 1.00 0.00 C ATOM 1519 O LEU A 106 -1.816 -3.265 5.021 1.00 0.00 O ATOM 1520 CB LEU A 106 -4.646 -1.887 5.570 1.00 0.00 C ATOM 1521 CG LEU A 106 -4.724 -2.533 4.176 1.00 0.00 C ATOM 1522 CD1 LEU A 106 -3.505 -2.123 3.347 1.00 0.00 C ATOM 1523 CD2 LEU A 106 -4.766 -4.061 4.301 1.00 0.00 C ATOM 0 H LEU A 106 -4.282 -1.100 7.804 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.858 -3.681 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.628 -1.912 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.365 -0.838 5.474 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.633 -2.191 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.564 -2.583 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.485 -1.038 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.596 -2.455 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.821 -4.506 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.865 -4.410 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.642 -4.355 4.879 1.00 0.00 H new ATOM 1535 N GLY A 107 -1.440 -1.561 6.356 1.00 0.00 N ATOM 1536 CA GLY A 107 -0.051 -1.405 5.838 1.00 0.00 C ATOM 1537 C GLY A 107 0.856 -2.437 6.510 1.00 0.00 C ATOM 1538 O GLY A 107 1.655 -3.086 5.865 1.00 0.00 O ATOM 0 H GLY A 107 -1.713 -0.894 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.036 -1.540 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.314 -0.398 6.039 1.00 0.00 H new ATOM 1542 N ALA A 108 0.739 -2.597 7.800 1.00 0.00 N ATOM 1543 CA ALA A 108 1.598 -3.592 8.503 1.00 0.00 C ATOM 1544 C ALA A 108 1.238 -4.999 8.025 1.00 0.00 C ATOM 1545 O ALA A 108 2.098 -5.793 7.699 1.00 0.00 O ATOM 1546 CB ALA A 108 1.280 -3.423 9.990 1.00 0.00 C ATOM 0 H ALA A 108 0.089 -2.084 8.395 1.00 0.00 H new ATOM 0 HA ALA A 108 2.660 -3.444 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.877 -4.125 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.515 -2.404 10.299 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.221 -3.619 10.160 1.00 0.00 H new ATOM 1552 N SER A 109 -0.027 -5.311 7.974 1.00 0.00 N ATOM 1553 CA SER A 109 -0.441 -6.664 7.510 1.00 0.00 C ATOM 1554 C SER A 109 -0.027 -6.852 6.048 1.00 0.00 C ATOM 1555 O SER A 109 0.019 -7.957 5.544 1.00 0.00 O ATOM 1556 CB SER A 109 -1.963 -6.690 7.652 1.00 0.00 C ATOM 1557 OG SER A 109 -2.313 -6.431 9.005 1.00 0.00 O ATOM 0 H SER A 109 -0.792 -4.688 8.233 1.00 0.00 H new ATOM 0 HA SER A 109 0.025 -7.465 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.414 -5.943 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.352 -7.660 7.343 1.00 0.00 H new ATOM 0 HG SER A 109 -2.387 -5.464 9.144 1.00 0.00 H new ATOM 1563 N LEU A 110 0.276 -5.782 5.362 1.00 0.00 N ATOM 1564 CA LEU A 110 0.686 -5.904 3.934 1.00 0.00 C ATOM 1565 C LEU A 110 2.121 -6.432 3.853 1.00 0.00 C ATOM 1566 O LEU A 110 2.444 -7.250 3.014 1.00 0.00 O ATOM 1567 CB LEU A 110 0.597 -4.487 3.367 1.00 0.00 C ATOM 1568 CG LEU A 110 0.727 -4.537 1.844 1.00 0.00 C ATOM 1569 CD1 LEU A 110 -0.236 -3.528 1.215 1.00 0.00 C ATOM 1570 CD2 LEU A 110 2.162 -4.188 1.444 1.00 0.00 C ATOM 0 H LEU A 110 0.257 -4.830 5.729 1.00 0.00 H new ATOM 0 HA LEU A 110 0.056 -6.597 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.353 -4.031 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.386 -3.865 3.790 1.00 0.00 H new ATOM 0 HG LEU A 110 0.484 -5.539 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.143 -3.564 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.259 -3.775 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.007 -2.525 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.256 -4.223 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.404 -3.186 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.849 -4.906 1.891 1.00 0.00 H new ATOM 1582 N LEU A 111 2.985 -5.972 4.717 1.00 0.00 N ATOM 1583 CA LEU A 111 4.397 -6.451 4.683 1.00 0.00 C ATOM 1584 C LEU A 111 4.440 -7.953 4.975 1.00 0.00 C ATOM 1585 O LEU A 111 5.306 -8.662 4.503 1.00 0.00 O ATOM 1586 CB LEU A 111 5.120 -5.665 5.779 1.00 0.00 C ATOM 1587 CG LEU A 111 5.693 -4.374 5.192 1.00 0.00 C ATOM 1588 CD1 LEU A 111 6.422 -3.594 6.287 1.00 0.00 C ATOM 1589 CD2 LEU A 111 6.678 -4.717 4.072 1.00 0.00 C ATOM 0 H LEU A 111 2.775 -5.287 5.443 1.00 0.00 H new ATOM 0 HA LEU A 111 4.864 -6.298 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.429 -5.433 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.921 -6.269 6.206 1.00 0.00 H new ATOM 0 HG LEU A 111 4.881 -3.767 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.830 -2.674 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.723 -3.350 7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.233 -4.202 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.087 -3.798 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.489 -5.325 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.161 -5.273 3.290 1.00 0.00 H new ATOM 1601 N SER A 112 3.512 -8.445 5.749 1.00 0.00 N ATOM 1602 CA SER A 112 3.504 -9.901 6.069 1.00 0.00 C ATOM 1603 C SER A 112 3.048 -10.695 4.842 1.00 0.00 C ATOM 1604 O SER A 112 3.309 -11.875 4.724 1.00 0.00 O ATOM 1605 CB SER A 112 2.506 -10.055 7.217 1.00 0.00 C ATOM 1606 OG SER A 112 2.867 -11.182 8.004 1.00 0.00 O ATOM 0 H SER A 112 2.760 -7.903 6.173 1.00 0.00 H new ATOM 0 HA SER A 112 4.490 -10.274 6.346 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.499 -9.155 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.497 -10.180 6.823 1.00 0.00 H new ATOM 0 HG SER A 112 2.230 -11.283 8.742 1.00 0.00 H new ATOM 1612 N ALA A 113 2.368 -10.057 3.930 1.00 0.00 N ATOM 1613 CA ALA A 113 1.895 -10.778 2.714 1.00 0.00 C ATOM 1614 C ALA A 113 2.977 -10.724 1.632 1.00 0.00 C ATOM 1615 O ALA A 113 3.110 -11.623 0.828 1.00 0.00 O ATOM 1616 CB ALA A 113 0.640 -10.029 2.265 1.00 0.00 C ATOM 0 H ALA A 113 2.119 -9.069 3.974 1.00 0.00 H new ATOM 0 HA ALA A 113 1.683 -11.830 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.233 -10.503 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.104 -10.056 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.895 -8.993 2.042 1.00 0.00 H new ATOM 1622 N MET A 114 3.747 -9.671 1.606 1.00 0.00 N ATOM 1623 CA MET A 114 4.818 -9.554 0.575 1.00 0.00 C ATOM 1624 C MET A 114 5.740 -10.773 0.638 1.00 0.00 C ATOM 1625 O MET A 114 6.224 -11.247 -0.371 1.00 0.00 O ATOM 1626 CB MET A 114 5.580 -8.278 0.933 1.00 0.00 C ATOM 1627 CG MET A 114 4.979 -7.095 0.172 1.00 0.00 C ATOM 1628 SD MET A 114 5.131 -5.594 1.171 1.00 0.00 S ATOM 1629 CE MET A 114 5.197 -4.416 -0.200 1.00 0.00 C ATOM 0 H MET A 114 3.681 -8.886 2.254 1.00 0.00 H new ATOM 0 HA MET A 114 4.417 -9.511 -0.438 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.526 -8.099 2.007 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.635 -8.389 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.492 -6.964 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.931 -7.289 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 114 5.638 -3.481 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.805 -4.828 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 114 4.188 -4.228 -0.567 1.00 0.00 H new ATOM 1639 N GLU A 115 5.989 -11.287 1.811 1.00 0.00 N ATOM 1640 CA GLU A 115 6.883 -12.474 1.925 1.00 0.00 C ATOM 1641 C GLU A 115 6.321 -13.623 1.081 1.00 0.00 C ATOM 1642 O GLU A 115 7.036 -14.521 0.685 1.00 0.00 O ATOM 1643 CB GLU A 115 6.897 -12.835 3.413 1.00 0.00 C ATOM 1644 CG GLU A 115 5.527 -13.375 3.830 1.00 0.00 C ATOM 1645 CD GLU A 115 5.399 -13.358 5.354 1.00 0.00 C ATOM 1646 OE1 GLU A 115 6.221 -12.720 5.991 1.00 0.00 O ATOM 1647 OE2 GLU A 115 4.481 -13.984 5.858 1.00 0.00 O ATOM 0 H GLU A 115 5.614 -10.938 2.693 1.00 0.00 H new ATOM 0 HA GLU A 115 7.891 -12.275 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.667 -13.582 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.148 -11.956 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 115 4.738 -12.770 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.399 -14.391 3.458 1.00 0.00 H new ATOM 1654 N HIS A 116 5.045 -13.600 0.801 1.00 0.00 N ATOM 1655 CA HIS A 116 4.446 -14.691 -0.021 1.00 0.00 C ATOM 1656 C HIS A 116 5.179 -14.777 -1.361 1.00 0.00 C ATOM 1657 O HIS A 116 5.452 -15.849 -1.863 1.00 0.00 O ATOM 1658 CB HIS A 116 2.983 -14.291 -0.229 1.00 0.00 C ATOM 1659 CG HIS A 116 2.231 -14.445 1.064 1.00 0.00 C ATOM 1660 ND1 HIS A 116 2.653 -14.521 2.368 1.00 0.00 N flip ATOM 1661 CD2 HIS A 116 0.848 -14.542 1.109 1.00 0.00 C flip ATOM 1662 CE1 HIS A 116 1.554 -14.662 3.210 1.00 0.00 C flip ATOM 1663 NE2 HIS A 116 0.492 -14.669 2.400 1.00 0.00 N flip ATOM 0 H HIS A 116 4.394 -12.876 1.105 1.00 0.00 H new ATOM 0 HA HIS A 116 4.524 -15.667 0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.923 -13.259 -0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.531 -14.914 -1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 116 0.179 -14.520 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.559 -14.747 4.287 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -0.472 -14.760 2.721 1.00 0.00 H new ATOM 1671 N ARG A 117 5.503 -13.654 -1.942 1.00 0.00 N ATOM 1672 CA ARG A 117 6.222 -13.671 -3.247 1.00 0.00 C ATOM 1673 C ARG A 117 7.700 -13.991 -3.013 1.00 0.00 C ATOM 1674 O ARG A 117 8.207 -14.992 -3.478 1.00 0.00 O ATOM 1675 CB ARG A 117 6.053 -12.263 -3.820 1.00 0.00 C ATOM 1676 CG ARG A 117 6.392 -12.277 -5.312 1.00 0.00 C ATOM 1677 CD ARG A 117 5.550 -11.225 -6.037 1.00 0.00 C ATOM 1678 NE ARG A 117 6.103 -11.157 -7.418 1.00 0.00 N ATOM 1679 CZ ARG A 117 5.996 -12.185 -8.215 1.00 0.00 C ATOM 1680 NH1 ARG A 117 4.871 -12.416 -8.834 1.00 0.00 N ATOM 1681 NH2 ARG A 117 7.015 -12.981 -8.393 1.00 0.00 N ATOM 0 H ARG A 117 5.301 -12.726 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 117 5.833 -14.426 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.030 -11.919 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.704 -11.564 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.453 -12.072 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.198 -13.265 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.497 -11.505 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.617 -10.258 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 117 6.565 -10.307 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.075 -11.793 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.787 -13.219 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.894 -12.800 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.932 -13.785 -9.016 1.00 0.00 H new ATOM 1695 N ILE A 118 8.394 -13.153 -2.292 1.00 0.00 N ATOM 1696 CA ILE A 118 9.836 -13.422 -2.029 1.00 0.00 C ATOM 1697 C ILE A 118 9.978 -14.210 -0.725 1.00 0.00 C ATOM 1698 O ILE A 118 10.837 -13.934 0.089 1.00 0.00 O ATOM 1699 CB ILE A 118 10.502 -12.048 -1.913 1.00 0.00 C ATOM 1700 CG1 ILE A 118 9.789 -11.214 -0.845 1.00 0.00 C ATOM 1701 CG2 ILE A 118 10.417 -11.326 -3.259 1.00 0.00 C ATOM 1702 CD1 ILE A 118 10.763 -10.183 -0.268 1.00 0.00 C ATOM 0 H ILE A 118 8.027 -12.297 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 118 10.298 -14.014 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 118 11.547 -12.178 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.925 -10.711 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.416 -11.862 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.891 -10.348 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.928 -11.915 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.371 -11.200 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.256 -9.589 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.613 -10.697 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.114 -9.528 -1.065 1.00 0.00 H new ATOM 1714 N GLY A 119 9.142 -15.192 -0.523 1.00 0.00 N ATOM 1715 CA GLY A 119 9.230 -16.000 0.725 1.00 0.00 C ATOM 1716 C GLY A 119 10.661 -16.513 0.883 1.00 0.00 C ATOM 1717 O GLY A 119 11.201 -17.157 0.005 1.00 0.00 O ATOM 0 H GLY A 119 8.402 -15.469 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.949 -15.394 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.532 -16.836 0.683 1.00 0.00 H new ATOM 1721 N GLY A 120 11.283 -16.231 1.993 1.00 0.00 N ATOM 1722 CA GLY A 120 12.681 -16.699 2.202 1.00 0.00 C ATOM 1723 C GLY A 120 13.638 -15.534 1.943 1.00 0.00 C ATOM 1724 O GLY A 120 14.639 -15.380 2.614 1.00 0.00 O ATOM 0 H GLY A 120 10.884 -15.697 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.806 -17.070 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 120 12.905 -17.528 1.530 1.00 0.00 H new ATOM 1728 N LYS A 121 13.336 -14.709 0.978 1.00 0.00 N ATOM 1729 CA LYS A 121 14.227 -13.554 0.683 1.00 0.00 C ATOM 1730 C LYS A 121 13.796 -12.354 1.529 1.00 0.00 C ATOM 1731 O LYS A 121 14.577 -11.468 1.814 1.00 0.00 O ATOM 1732 CB LYS A 121 14.033 -13.267 -0.807 1.00 0.00 C ATOM 1733 CG LYS A 121 14.768 -14.324 -1.633 1.00 0.00 C ATOM 1734 CD LYS A 121 16.270 -14.029 -1.621 1.00 0.00 C ATOM 1735 CE LYS A 121 16.894 -14.499 -2.936 1.00 0.00 C ATOM 1736 NZ LYS A 121 18.346 -14.638 -2.634 1.00 0.00 N ATOM 0 H LYS A 121 12.512 -14.786 0.382 1.00 0.00 H new ATOM 0 HA LYS A 121 15.273 -13.757 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.971 -13.272 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.412 -12.274 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.578 -15.317 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.395 -14.324 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.440 -12.961 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.744 -14.535 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.465 -15.446 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.723 -13.779 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.849 -14.958 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.727 -13.719 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.477 -15.334 -1.873 1.00 0.00 H new ATOM 1750 N MET A 122 12.556 -12.322 1.935 1.00 0.00 N ATOM 1751 CA MET A 122 12.071 -11.183 2.765 1.00 0.00 C ATOM 1752 C MET A 122 12.662 -11.286 4.173 1.00 0.00 C ATOM 1753 O MET A 122 12.065 -11.850 5.069 1.00 0.00 O ATOM 1754 CB MET A 122 10.550 -11.332 2.802 1.00 0.00 C ATOM 1755 CG MET A 122 9.945 -10.192 3.623 1.00 0.00 C ATOM 1756 SD MET A 122 8.685 -9.343 2.639 1.00 0.00 S ATOM 1757 CE MET A 122 8.777 -7.746 3.485 1.00 0.00 C ATOM 0 H MET A 122 11.858 -13.036 1.728 1.00 0.00 H new ATOM 0 HA MET A 122 12.366 -10.215 2.361 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.148 -11.318 1.789 1.00 0.00 H new ATOM 0 HB3 MET A 122 10.279 -12.293 3.239 1.00 0.00 H new ATOM 0 HG2 MET A 122 9.503 -10.584 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.724 -9.490 3.920 1.00 0.00 H new ATOM 0 HE1 MET A 122 8.081 -7.048 3.021 1.00 0.00 H new ATOM 0 HE2 MET A 122 8.515 -7.875 4.535 1.00 0.00 H new ATOM 0 HE3 MET A 122 9.791 -7.352 3.410 1.00 0.00 H new ATOM 1767 N ASN A 123 13.833 -10.747 4.372 1.00 0.00 N ATOM 1768 CA ASN A 123 14.467 -10.816 5.721 1.00 0.00 C ATOM 1769 C ASN A 123 13.933 -9.686 6.605 1.00 0.00 C ATOM 1770 O ASN A 123 13.011 -8.983 6.243 1.00 0.00 O ATOM 1771 CB ASN A 123 15.969 -10.648 5.475 1.00 0.00 C ATOM 1772 CG ASN A 123 16.232 -9.369 4.678 1.00 0.00 C ATOM 1773 OD1 ASN A 123 15.793 -9.240 3.553 1.00 0.00 O ATOM 1774 ND2 ASN A 123 16.934 -8.411 5.217 1.00 0.00 N ATOM 0 H ASN A 123 14.379 -10.262 3.660 1.00 0.00 H new ATOM 0 HA ASN A 123 14.250 -11.754 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.499 -10.608 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.355 -11.510 4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 123 17.114 -7.554 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 123 17.303 -8.519 6.162 1.00 0.00 H new ATOM 1781 N ALA A 124 14.506 -9.509 7.764 1.00 0.00 N ATOM 1782 CA ALA A 124 14.033 -8.428 8.675 1.00 0.00 C ATOM 1783 C ALA A 124 14.275 -7.063 8.028 1.00 0.00 C ATOM 1784 O ALA A 124 13.436 -6.186 8.076 1.00 0.00 O ATOM 1785 CB ALA A 124 14.867 -8.582 9.948 1.00 0.00 C ATOM 0 H ALA A 124 15.282 -10.067 8.120 1.00 0.00 H new ATOM 0 HA ALA A 124 12.966 -8.497 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 124 14.575 -7.818 10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 124 14.697 -9.570 10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 124 15.924 -8.468 9.707 1.00 0.00 H new ATOM 1791 N ALA A 125 15.415 -6.874 7.420 1.00 0.00 N ATOM 1792 CA ALA A 125 15.702 -5.564 6.771 1.00 0.00 C ATOM 1793 C ALA A 125 14.669 -5.306 5.672 1.00 0.00 C ATOM 1794 O ALA A 125 14.333 -4.177 5.376 1.00 0.00 O ATOM 1795 CB ALA A 125 17.104 -5.702 6.176 1.00 0.00 C ATOM 0 H ALA A 125 16.158 -7.569 7.345 1.00 0.00 H new ATOM 0 HA ALA A 125 15.651 -4.730 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 125 17.382 -4.772 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 125 17.817 -5.917 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 125 17.113 -6.516 5.451 1.00 0.00 H new ATOM 1801 N ALA A 126 14.162 -6.345 5.066 1.00 0.00 N ATOM 1802 CA ALA A 126 13.151 -6.157 3.988 1.00 0.00 C ATOM 1803 C ALA A 126 11.840 -5.655 4.598 1.00 0.00 C ATOM 1804 O ALA A 126 11.271 -4.679 4.151 1.00 0.00 O ATOM 1805 CB ALA A 126 12.964 -7.540 3.363 1.00 0.00 C ATOM 0 H ALA A 126 14.404 -7.314 5.271 1.00 0.00 H new ATOM 0 HA ALA A 126 13.464 -5.424 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 126 12.231 -7.480 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 126 13.915 -7.890 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 126 12.612 -8.238 4.123 1.00 0.00 H new ATOM 1811 N LYS A 127 11.358 -6.311 5.618 1.00 0.00 N ATOM 1812 CA LYS A 127 10.086 -5.865 6.255 1.00 0.00 C ATOM 1813 C LYS A 127 10.332 -4.568 7.030 1.00 0.00 C ATOM 1814 O LYS A 127 9.447 -3.752 7.191 1.00 0.00 O ATOM 1815 CB LYS A 127 9.683 -6.999 7.200 1.00 0.00 C ATOM 1816 CG LYS A 127 10.755 -7.178 8.278 1.00 0.00 C ATOM 1817 CD LYS A 127 10.213 -8.076 9.393 1.00 0.00 C ATOM 1818 CE LYS A 127 10.193 -9.531 8.916 1.00 0.00 C ATOM 1819 NZ LYS A 127 10.484 -10.332 10.138 1.00 0.00 N ATOM 0 H LYS A 127 11.789 -7.135 6.037 1.00 0.00 H new ATOM 0 HA LYS A 127 9.301 -5.663 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.722 -6.775 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.559 -7.926 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.652 -7.620 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.042 -6.208 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.835 -7.983 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.208 -7.760 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.225 -9.795 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.940 -9.704 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.489 -11.344 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 11.414 -10.062 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.753 -10.150 10.855 1.00 0.00 H new ATOM 1833 N ASP A 128 11.532 -4.369 7.505 1.00 0.00 N ATOM 1834 CA ASP A 128 11.835 -3.122 8.262 1.00 0.00 C ATOM 1835 C ASP A 128 11.988 -1.960 7.282 1.00 0.00 C ATOM 1836 O ASP A 128 11.400 -0.909 7.448 1.00 0.00 O ATOM 1837 CB ASP A 128 13.154 -3.399 8.986 1.00 0.00 C ATOM 1838 CG ASP A 128 13.501 -2.227 9.906 1.00 0.00 C ATOM 1839 OD1 ASP A 128 13.409 -1.098 9.454 1.00 0.00 O ATOM 1840 OD2 ASP A 128 13.853 -2.479 11.047 1.00 0.00 O ATOM 0 H ASP A 128 12.314 -5.015 7.401 1.00 0.00 H new ATOM 0 HA ASP A 128 11.046 -2.854 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 128 13.073 -4.317 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 128 13.952 -3.551 8.260 1.00 0.00 H new ATOM 1845 N ALA A 129 12.770 -2.145 6.258 1.00 0.00 N ATOM 1846 CA ALA A 129 12.961 -1.057 5.258 1.00 0.00 C ATOM 1847 C ALA A 129 11.600 -0.642 4.698 1.00 0.00 C ATOM 1848 O ALA A 129 11.296 0.529 4.581 1.00 0.00 O ATOM 1849 CB ALA A 129 13.839 -1.665 4.163 1.00 0.00 C ATOM 0 H ALA A 129 13.287 -3.004 6.069 1.00 0.00 H new ATOM 0 HA ALA A 129 13.423 -0.167 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 129 14.023 -0.920 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.789 -1.984 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 129 13.332 -2.525 3.726 1.00 0.00 H new ATOM 1855 N TRP A 130 10.776 -1.595 4.357 1.00 0.00 N ATOM 1856 CA TRP A 130 9.431 -1.259 3.812 1.00 0.00 C ATOM 1857 C TRP A 130 8.541 -0.755 4.949 1.00 0.00 C ATOM 1858 O TRP A 130 7.683 0.083 4.754 1.00 0.00 O ATOM 1859 CB TRP A 130 8.890 -2.570 3.231 1.00 0.00 C ATOM 1860 CG TRP A 130 9.241 -2.686 1.774 1.00 0.00 C ATOM 1861 CD1 TRP A 130 9.991 -1.803 1.066 1.00 0.00 C ATOM 1862 CD2 TRP A 130 8.868 -3.740 0.837 1.00 0.00 C ATOM 1863 NE1 TRP A 130 10.091 -2.247 -0.239 1.00 0.00 N ATOM 1864 CE2 TRP A 130 9.417 -3.435 -0.430 1.00 0.00 C ATOM 1865 CE3 TRP A 130 8.110 -4.920 0.963 1.00 0.00 C ATOM 1866 CZ2 TRP A 130 9.223 -4.267 -1.532 1.00 0.00 C ATOM 1867 CZ3 TRP A 130 7.914 -5.761 -0.145 1.00 0.00 C ATOM 1868 CH2 TRP A 130 8.469 -5.434 -1.390 1.00 0.00 C ATOM 0 H TRP A 130 10.977 -2.592 4.433 1.00 0.00 H new ATOM 0 HA TRP A 130 9.464 -0.478 3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 130 9.305 -3.416 3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 130 7.808 -2.610 3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 130 10.437 -0.901 1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.602 -1.755 -0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.677 -5.180 1.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.653 -4.011 -2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 7.332 -6.665 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 130 8.314 -6.084 -2.239 1.00 0.00 H new ATOM 1879 N ALA A 131 8.743 -1.254 6.137 1.00 0.00 N ATOM 1880 CA ALA A 131 7.915 -0.796 7.287 1.00 0.00 C ATOM 1881 C ALA A 131 8.201 0.682 7.555 1.00 0.00 C ATOM 1882 O ALA A 131 7.384 1.396 8.102 1.00 0.00 O ATOM 1883 CB ALA A 131 8.353 -1.660 8.471 1.00 0.00 C ATOM 0 H ALA A 131 9.445 -1.959 6.361 1.00 0.00 H new ATOM 0 HA ALA A 131 6.845 -0.894 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.784 -1.378 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 131 8.172 -2.710 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 131 9.416 -1.508 8.659 1.00 0.00 H new ATOM 1889 N ALA A 132 9.358 1.146 7.167 1.00 0.00 N ATOM 1890 CA ALA A 132 9.703 2.578 7.388 1.00 0.00 C ATOM 1891 C ALA A 132 9.351 3.381 6.135 1.00 0.00 C ATOM 1892 O ALA A 132 9.073 4.562 6.197 1.00 0.00 O ATOM 1893 CB ALA A 132 11.212 2.597 7.638 1.00 0.00 C ATOM 0 H ALA A 132 10.080 0.593 6.705 1.00 0.00 H new ATOM 0 HA ALA A 132 9.158 3.018 8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 132 11.540 3.622 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.443 1.991 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 132 11.730 2.191 6.769 1.00 0.00 H new ATOM 1899 N ALA A 133 9.359 2.745 4.996 1.00 0.00 N ATOM 1900 CA ALA A 133 9.024 3.464 3.735 1.00 0.00 C ATOM 1901 C ALA A 133 7.504 3.555 3.585 1.00 0.00 C ATOM 1902 O ALA A 133 6.965 4.589 3.243 1.00 0.00 O ATOM 1903 CB ALA A 133 9.631 2.617 2.615 1.00 0.00 C ATOM 0 H ALA A 133 9.584 1.756 4.884 1.00 0.00 H new ATOM 0 HA ALA A 133 9.412 4.483 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 133 9.425 3.085 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.709 2.543 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.193 1.619 2.635 1.00 0.00 H new ATOM 1909 N TYR A 134 6.807 2.481 3.838 1.00 0.00 N ATOM 1910 CA TYR A 134 5.322 2.510 3.709 1.00 0.00 C ATOM 1911 C TYR A 134 4.752 3.601 4.617 1.00 0.00 C ATOM 1912 O TYR A 134 3.705 4.158 4.352 1.00 0.00 O ATOM 1913 CB TYR A 134 4.850 1.126 4.157 1.00 0.00 C ATOM 1914 CG TYR A 134 4.604 0.264 2.942 1.00 0.00 C ATOM 1915 CD1 TYR A 134 5.684 -0.184 2.172 1.00 0.00 C ATOM 1916 CD2 TYR A 134 3.297 -0.085 2.585 1.00 0.00 C ATOM 1917 CE1 TYR A 134 5.456 -0.981 1.044 1.00 0.00 C ATOM 1918 CE2 TYR A 134 3.069 -0.883 1.457 1.00 0.00 C ATOM 1919 CZ TYR A 134 4.148 -1.330 0.686 1.00 0.00 C ATOM 1920 OH TYR A 134 3.923 -2.115 -0.426 1.00 0.00 O ATOM 0 H TYR A 134 7.201 1.586 4.128 1.00 0.00 H new ATOM 0 HA TYR A 134 4.993 2.730 2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 134 5.600 0.664 4.799 1.00 0.00 H new ATOM 0 HB3 TYR A 134 3.937 1.214 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 134 6.693 0.085 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 134 2.464 0.261 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 134 6.289 -1.327 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 134 2.060 -1.154 1.182 1.00 0.00 H new ATOM 0 HH TYR A 134 2.981 -2.384 -0.452 1.00 0.00 H new ATOM 1930 N ALA A 135 5.433 3.915 5.685 1.00 0.00 N ATOM 1931 CA ALA A 135 4.927 4.974 6.602 1.00 0.00 C ATOM 1932 C ALA A 135 4.863 6.306 5.852 1.00 0.00 C ATOM 1933 O ALA A 135 3.885 7.023 5.920 1.00 0.00 O ATOM 1934 CB ALA A 135 5.943 5.040 7.743 1.00 0.00 C ATOM 0 H ALA A 135 6.316 3.485 5.961 1.00 0.00 H new ATOM 0 HA ALA A 135 3.925 4.763 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 135 5.636 5.801 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.994 4.072 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 135 6.924 5.294 7.342 1.00 0.00 H new ATOM 1940 N ASP A 136 5.901 6.640 5.134 1.00 0.00 N ATOM 1941 CA ASP A 136 5.902 7.924 4.377 1.00 0.00 C ATOM 1942 C ASP A 136 4.999 7.796 3.149 1.00 0.00 C ATOM 1943 O ASP A 136 4.436 8.763 2.676 1.00 0.00 O ATOM 1944 CB ASP A 136 7.357 8.146 3.960 1.00 0.00 C ATOM 1945 CG ASP A 136 8.175 8.644 5.153 1.00 0.00 C ATOM 1946 OD1 ASP A 136 7.733 8.447 6.273 1.00 0.00 O ATOM 1947 OD2 ASP A 136 9.230 9.213 4.926 1.00 0.00 O ATOM 0 H ASP A 136 6.748 6.079 5.039 1.00 0.00 H new ATOM 0 HA ASP A 136 5.526 8.759 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.781 7.216 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.404 8.872 3.148 1.00 0.00 H new ATOM 1952 N ILE A 137 4.857 6.608 2.629 1.00 0.00 N ATOM 1953 CA ILE A 137 3.991 6.417 1.432 1.00 0.00 C ATOM 1954 C ILE A 137 2.529 6.642 1.820 1.00 0.00 C ATOM 1955 O ILE A 137 1.861 7.510 1.294 1.00 0.00 O ATOM 1956 CB ILE A 137 4.220 4.967 0.999 1.00 0.00 C ATOM 1957 CG1 ILE A 137 5.641 4.819 0.450 1.00 0.00 C ATOM 1958 CG2 ILE A 137 3.212 4.586 -0.089 1.00 0.00 C ATOM 1959 CD1 ILE A 137 6.001 3.336 0.356 1.00 0.00 C ATOM 0 H ILE A 137 5.303 5.761 2.981 1.00 0.00 H new ATOM 0 HA ILE A 137 4.225 7.115 0.628 1.00 0.00 H new ATOM 0 HB ILE A 137 4.088 4.309 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 137 5.712 5.284 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 137 6.348 5.335 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 137 3.379 3.553 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 137 2.199 4.690 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 137 3.339 5.243 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 137 7.013 3.231 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 137 5.946 2.885 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 137 5.301 2.833 -0.311 1.00 0.00 H new ATOM 1971 N SER A 138 2.028 5.861 2.735 1.00 0.00 N ATOM 1972 CA SER A 138 0.607 6.022 3.157 1.00 0.00 C ATOM 1973 C SER A 138 0.432 7.355 3.889 1.00 0.00 C ATOM 1974 O SER A 138 -0.470 8.118 3.604 1.00 0.00 O ATOM 1975 CB SER A 138 0.331 4.847 4.093 1.00 0.00 C ATOM 1976 OG SER A 138 0.933 5.100 5.356 1.00 0.00 O ATOM 0 H SER A 138 2.540 5.118 3.210 1.00 0.00 H new ATOM 0 HA SER A 138 -0.081 6.029 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 138 -0.743 4.706 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 138 0.728 3.926 3.666 1.00 0.00 H new ATOM 0 HG SER A 138 1.885 4.869 5.317 1.00 0.00 H new ATOM 1982 N GLY A 139 1.285 7.639 4.835 1.00 0.00 N ATOM 1983 CA GLY A 139 1.166 8.919 5.590 1.00 0.00 C ATOM 1984 C GLY A 139 1.077 10.086 4.605 1.00 0.00 C ATOM 1985 O GLY A 139 0.468 11.100 4.884 1.00 0.00 O ATOM 0 H GLY A 139 2.060 7.039 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 139 0.281 8.898 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 139 2.027 9.048 6.246 1.00 0.00 H new ATOM 1989 N ALA A 140 1.679 9.955 3.455 1.00 0.00 N ATOM 1990 CA ALA A 140 1.628 11.062 2.457 1.00 0.00 C ATOM 1991 C ALA A 140 0.279 11.046 1.732 1.00 0.00 C ATOM 1992 O ALA A 140 -0.114 12.016 1.115 1.00 0.00 O ATOM 1993 CB ALA A 140 2.771 10.778 1.481 1.00 0.00 C ATOM 0 H ALA A 140 2.204 9.130 3.163 1.00 0.00 H new ATOM 0 HA ALA A 140 1.732 12.044 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 140 2.797 11.553 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.718 10.770 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 140 2.614 9.808 1.010 1.00 0.00 H new ATOM 1999 N LEU A 141 -0.431 9.954 1.799 1.00 0.00 N ATOM 2000 CA LEU A 141 -1.751 9.882 1.109 1.00 0.00 C ATOM 2001 C LEU A 141 -2.857 10.361 2.053 1.00 0.00 C ATOM 2002 O LEU A 141 -3.910 10.786 1.623 1.00 0.00 O ATOM 2003 CB LEU A 141 -1.942 8.406 0.756 1.00 0.00 C ATOM 2004 CG LEU A 141 -3.262 8.227 0.005 1.00 0.00 C ATOM 2005 CD1 LEU A 141 -3.196 6.962 -0.852 1.00 0.00 C ATOM 2006 CD2 LEU A 141 -4.407 8.102 1.011 1.00 0.00 C ATOM 0 H LEU A 141 -0.156 9.110 2.300 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.791 10.514 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -1.112 8.058 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -1.943 7.801 1.663 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.434 9.091 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -4.137 6.835 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.380 7.051 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.023 6.097 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -5.348 7.974 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -4.234 7.238 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.455 9.004 1.621 1.00 0.00 H new ATOM 2018 N ILE A 142 -2.628 10.294 3.336 1.00 0.00 N ATOM 2019 CA ILE A 142 -3.670 10.745 4.302 1.00 0.00 C ATOM 2020 C ILE A 142 -3.802 12.269 4.249 1.00 0.00 C ATOM 2021 O ILE A 142 -4.775 12.832 4.710 1.00 0.00 O ATOM 2022 CB ILE A 142 -3.175 10.290 5.675 1.00 0.00 C ATOM 2023 CG1 ILE A 142 -2.914 8.782 5.650 1.00 0.00 C ATOM 2024 CG2 ILE A 142 -4.239 10.604 6.729 1.00 0.00 C ATOM 2025 CD1 ILE A 142 -4.182 8.051 5.202 1.00 0.00 C ATOM 0 H ILE A 142 -1.766 9.947 3.757 1.00 0.00 H new ATOM 0 HA ILE A 142 -4.652 10.330 4.076 1.00 0.00 H new ATOM 0 HB ILE A 142 -2.252 10.815 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 142 -2.092 8.556 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 142 -2.614 8.438 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -3.887 10.280 7.709 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -4.427 11.678 6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -5.162 10.078 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 142 -3.996 6.977 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 142 -4.992 8.267 5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 142 -4.462 8.387 4.204 1.00 0.00 H new ATOM 2037 N SER A 143 -2.834 12.943 3.688 1.00 0.00 N ATOM 2038 CA SER A 143 -2.914 14.428 3.606 1.00 0.00 C ATOM 2039 C SER A 143 -4.138 14.820 2.778 1.00 0.00 C ATOM 2040 O SER A 143 -5.097 15.365 3.288 1.00 0.00 O ATOM 2041 CB SER A 143 -1.624 14.865 2.912 1.00 0.00 C ATOM 2042 OG SER A 143 -0.821 15.594 3.831 1.00 0.00 O ATOM 0 H SER A 143 -1.994 12.530 3.284 1.00 0.00 H new ATOM 0 HA SER A 143 -3.015 14.900 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.080 13.994 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.855 15.482 2.044 1.00 0.00 H new ATOM 0 HG SER A 143 0.090 15.233 3.827 1.00 0.00 H new ATOM 2048 N GLY A 144 -4.117 14.538 1.505 1.00 0.00 N ATOM 2049 CA GLY A 144 -5.285 14.884 0.647 1.00 0.00 C ATOM 2050 C GLY A 144 -6.486 14.041 1.083 1.00 0.00 C ATOM 2051 O GLY A 144 -7.621 14.365 0.796 1.00 0.00 O ATOM 0 H GLY A 144 -3.342 14.083 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -5.517 15.945 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -5.052 14.695 -0.401 1.00 0.00 H new ATOM 2055 N LEU A 145 -6.243 12.961 1.777 1.00 0.00 N ATOM 2056 CA LEU A 145 -7.367 12.096 2.235 1.00 0.00 C ATOM 2057 C LEU A 145 -8.321 12.914 3.110 1.00 0.00 C ATOM 2058 O LEU A 145 -8.021 14.031 3.477 1.00 0.00 O ATOM 2059 CB LEU A 145 -6.701 10.980 3.044 1.00 0.00 C ATOM 2060 CG LEU A 145 -7.732 9.903 3.390 1.00 0.00 C ATOM 2061 CD1 LEU A 145 -8.413 9.413 2.111 1.00 0.00 C ATOM 2062 CD2 LEU A 145 -7.026 8.728 4.071 1.00 0.00 C ATOM 0 H LEU A 145 -5.313 12.641 2.046 1.00 0.00 H new ATOM 0 HA LEU A 145 -7.956 11.695 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -5.883 10.542 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -6.269 11.389 3.957 1.00 0.00 H new ATOM 0 HG LEU A 145 -8.482 10.321 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -9.147 8.646 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.914 10.249 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.665 8.994 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.757 7.959 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -6.277 8.313 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -6.540 9.075 4.983 1.00 0.00 H new ATOM 2074 N GLN A 146 -9.465 12.356 3.434 1.00 0.00 N ATOM 2075 CA GLN A 146 -10.477 13.068 4.285 1.00 0.00 C ATOM 2076 C GLN A 146 -10.504 14.570 3.969 1.00 0.00 C ATOM 2077 O GLN A 146 -10.495 15.402 4.854 1.00 0.00 O ATOM 2078 CB GLN A 146 -10.071 12.783 5.746 1.00 0.00 C ATOM 2079 CG GLN A 146 -8.971 13.742 6.230 1.00 0.00 C ATOM 2080 CD GLN A 146 -7.762 12.943 6.720 1.00 0.00 C ATOM 2081 OE1 GLN A 146 -7.317 11.950 6.000 1.00 0.00 O flip ATOM 2082 NE2 GLN A 146 -7.216 13.226 7.768 1.00 0.00 N flip ATOM 0 H GLN A 146 -9.746 11.421 3.140 1.00 0.00 H new ATOM 0 HA GLN A 146 -11.490 12.716 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 146 -10.945 12.877 6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 146 -9.720 11.755 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 146 -8.674 14.407 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 146 -9.353 14.371 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 146 -7.564 14.002 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 146 -6.410 12.687 8.085 1.00 0.00 H new ATOM 2091 N SER A 147 -10.538 14.918 2.712 1.00 0.00 N ATOM 2092 CA SER A 147 -10.566 16.361 2.339 1.00 0.00 C ATOM 2093 C SER A 147 -12.009 16.870 2.359 1.00 0.00 C ATOM 2094 O SER A 147 -12.245 17.944 1.829 1.00 0.00 O ATOM 2095 CB SER A 147 -9.988 16.423 0.925 1.00 0.00 C ATOM 2096 OG SER A 147 -10.400 17.632 0.302 1.00 0.00 O ATOM 2097 OXT SER A 147 -12.853 16.178 2.904 1.00 0.00 O ATOM 0 H SER A 147 -10.548 14.266 1.927 1.00 0.00 H new ATOM 0 HA SER A 147 -9.996 16.982 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 147 -8.900 16.372 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 147 -10.328 15.566 0.343 1.00 0.00 H new ATOM 0 HG SER A 147 -10.791 18.229 0.973 1.00 0.00 H new TER 2103 SER A 147 HETATM 2104 FE HEM A 148 -7.480 2.765 -1.713 1.00 0.00 FE HETATM 2105 CHA HEM A 148 -8.862 2.765 -4.798 1.00 0.00 C HETATM 2106 CHB HEM A 148 -10.523 2.199 -0.350 1.00 0.00 C HETATM 2107 CHC HEM A 148 -6.084 2.677 1.367 1.00 0.00 C HETATM 2108 CHD HEM A 148 -4.437 3.359 -3.071 1.00 0.00 C HETATM 2109 NA HEM A 148 -9.291 2.532 -2.418 1.00 0.00 N HETATM 2110 C1A HEM A 148 -9.698 2.555 -3.731 1.00 0.00 C HETATM 2111 C2A HEM A 148 -11.122 2.345 -3.848 1.00 0.00 C HETATM 2112 C3A HEM A 148 -11.590 2.195 -2.595 1.00 0.00 C HETATM 2113 C4A HEM A 148 -10.453 2.310 -1.715 1.00 0.00 C HETATM 2114 CMA HEM A 148 -13.006 1.957 -2.196 1.00 0.00 C HETATM 2115 CAA HEM A 148 -11.916 2.304 -5.108 1.00 0.00 C HETATM 2116 CBA HEM A 148 -12.598 0.951 -5.322 1.00 0.00 C HETATM 2117 CGA HEM A 148 -14.045 1.167 -5.668 1.00 0.00 C HETATM 2118 O1A HEM A 148 -14.881 1.193 -4.725 1.00 0.00 O HETATM 2119 O2A HEM A 148 -14.348 1.312 -6.882 1.00 0.00 O HETATM 2120 NB HEM A 148 -8.155 2.505 0.106 1.00 0.00 N HETATM 2121 C1B HEM A 148 -9.453 2.288 0.505 1.00 0.00 C HETATM 2122 C2B HEM A 148 -9.548 2.137 1.936 1.00 0.00 C HETATM 2123 C3B HEM A 148 -8.297 2.255 2.418 1.00 0.00 C HETATM 2124 C4B HEM A 148 -7.440 2.488 1.281 1.00 0.00 C HETATM 2125 CMB HEM A 148 -10.789 1.914 2.726 1.00 0.00 C HETATM 2126 CAB HEM A 148 -7.906 2.138 3.736 1.00 0.00 C HETATM 2127 CBB HEM A 148 -7.392 0.951 4.219 1.00 0.00 C HETATM 2128 NC HEM A 148 -5.666 2.983 -1.007 1.00 0.00 N HETATM 2129 C1C HEM A 148 -5.251 2.909 0.303 1.00 0.00 C HETATM 2130 C2C HEM A 148 -3.826 3.108 0.420 1.00 0.00 C HETATM 2131 C3C HEM A 148 -3.363 3.311 -0.828 1.00 0.00 C HETATM 2132 C4C HEM A 148 -4.506 3.229 -1.707 1.00 0.00 C HETATM 2133 CMC HEM A 148 -3.023 3.077 1.674 1.00 0.00 C HETATM 2134 CAC HEM A 148 -2.055 3.555 -1.195 1.00 0.00 C HETATM 2135 CBC HEM A 148 -1.039 2.696 -0.827 1.00 0.00 C HETATM 2136 ND HEM A 148 -6.802 3.015 -3.532 1.00 0.00 N HETATM 2137 C1D HEM A 148 -5.506 3.259 -3.929 1.00 0.00 C HETATM 2138 C2D HEM A 148 -5.407 3.383 -5.363 1.00 0.00 C HETATM 2139 C3D HEM A 148 -6.651 3.210 -5.849 1.00 0.00 C HETATM 2140 C4D HEM A 148 -7.509 2.982 -4.711 1.00 0.00 C HETATM 2141 CMD HEM A 148 -4.172 3.651 -6.152 1.00 0.00 C HETATM 2142 CAD HEM A 148 -7.063 3.248 -7.281 1.00 0.00 C HETATM 2143 CBD HEM A 148 -8.156 4.285 -7.545 1.00 0.00 C HETATM 2144 CGD HEM A 148 -7.538 5.532 -8.114 1.00 0.00 C HETATM 2145 O1D HEM A 148 -8.050 6.025 -9.155 1.00 0.00 O HETATM 2146 O2D HEM A 148 -6.539 6.021 -7.521 1.00 0.00 O HETATM 0 HMA1 HEM A 148 -13.672 2.424 -2.922 1.00 0.00 H new HETATM 0 HMA2 HEM A 148 -13.184 2.388 -1.211 1.00 0.00 H new HETATM 0 HMA3 HEM A 148 -13.199 0.885 -2.163 1.00 0.00 H new HETATM 0 HMB1 HEM A 148 -11.632 2.384 2.220 1.00 0.00 H new HETATM 0 HMB2 HEM A 148 -10.672 2.351 3.718 1.00 0.00 H new HETATM 0 HMB3 HEM A 148 -10.973 0.844 2.820 1.00 0.00 H new HETATM 0 HMC1 HEM A 148 -3.640 3.407 2.510 1.00 0.00 H new HETATM 0 HMC2 HEM A 148 -2.164 3.741 1.573 1.00 0.00 H new HETATM 0 HMC3 HEM A 148 -2.676 2.060 1.859 1.00 0.00 H new HETATM 0 HMD1 HEM A 148 -3.481 4.246 -5.555 1.00 0.00 H new HETATM 0 HMD2 HEM A 148 -4.431 4.198 -7.059 1.00 0.00 H new HETATM 0 HMD3 HEM A 148 -3.699 2.706 -6.420 1.00 0.00 H new HETATM 0 HBB1 HEM A 148 -7.087 0.874 5.263 1.00 0.00 H new HETATM 0 HBB2 HEM A 148 -7.291 0.091 3.557 1.00 0.00 H new HETATM 0 HBC1 HEM A 148 -0.012 2.906 -1.127 1.00 0.00 H new HETATM 0 HBC2 HEM A 148 -1.263 1.808 -0.237 1.00 0.00 H new HETATM 0 HBA1 HEM A 148 -12.516 0.344 -4.421 1.00 0.00 H new HETATM 0 HBA2 HEM A 148 -12.100 0.403 -6.122 1.00 0.00 H new HETATM 0 HAA1 HEM A 148 -11.262 2.516 -5.954 1.00 0.00 H new HETATM 0 HAA2 HEM A 148 -12.672 3.089 -5.084 1.00 0.00 H new HETATM 0 HBD1 HEM A 148 -8.683 4.517 -6.619 1.00 0.00 H new HETATM 0 HBD2 HEM A 148 -8.894 3.883 -8.239 1.00 0.00 H new HETATM 0 HAD1 HEM A 148 -7.421 2.263 -7.580 1.00 0.00 H new HETATM 0 HAD2 HEM A 148 -6.195 3.473 -7.900 1.00 0.00 H new HETATM 0 HHA HEM A 148 -9.303 2.759 -5.784 1.00 0.00 H new HETATM 0 HHB HEM A 148 -11.496 2.028 0.086 1.00 0.00 H new HETATM 0 HHC HEM A 148 -5.638 2.640 2.350 1.00 0.00 H new HETATM 0 HHD HEM A 148 -3.467 3.555 -3.504 1.00 0.00 H new HETATM 0 HAB HEM A 148 -8.004 2.993 4.404 1.00 0.00 H new HETATM 0 HAC HEM A 148 -1.820 4.441 -1.785 1.00 0.00 H new HETATM 2177 C CMO A 149 -7.184 0.894 -1.865 1.00 0.00 C HETATM 2178 O CMO A 149 -7.008 -0.217 -1.956 1.00 0.00 O