USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 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 Set 1.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot -110:sc= -1.08! USER MOD Set 2.2: A 67 SER OG : rot 70:sc= -1.72 USER MOD Set 2.3: A 71 ASN :FLIP amide:sc= -1.24! C(o=-5.7!,f=-4!) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -120:sc= -0.476 (180deg=-1.66!) USER MOD Single : A 1 VAL N :NH3+ -133:sc= -0.028 (180deg=-0.605) USER MOD Single : A 3 SER OG : rot 65:sc= 0.123 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.703) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0022 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.863! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 28:sc= 0.00222 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -134:sc= -0.396 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -86:sc= 0.797 USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= -2.26! (180deg=-5.17!) USER MOD Single : A 52 GLN : amide:sc= -0.0399 X(o=-0.04,f=0.43) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 170:sc= -7.91! (180deg=-8.25!) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.1 F(o=-2.1,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.35) USER MOD Single : A 73 MET CE :methyl -129:sc= -0.445 (180deg=-2.5) USER MOD Single : A 75 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.15) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 83 GLN : amide:sc= -0.571 K(o=-0.57,f=-2.9!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0728 USER MOD Single : A 85 THR OG1 : rot -126:sc= 0.32 USER MOD Single : A 86 ASN :FLIP amide:sc= 1.07 F(o=-0.19,f=1.1) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -13.975 6.268 -28.682 1.00 0.00 N ATOM 2 CA VAL A 1 -13.125 5.275 -28.048 1.00 0.00 C ATOM 3 C VAL A 1 -12.554 5.852 -26.751 1.00 0.00 C ATOM 4 O VAL A 1 -12.255 7.043 -26.675 1.00 0.00 O ATOM 5 CB VAL A 1 -12.041 4.813 -29.025 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.055 3.865 -28.343 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.660 4.163 -30.264 1.00 0.00 C ATOM 0 H1 VAL A 1 -14.871 5.825 -28.970 1.00 0.00 H new ATOM 0 H2 VAL A 1 -14.170 7.038 -28.010 1.00 0.00 H new ATOM 0 H3 VAL A 1 -13.494 6.653 -29.520 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.704 4.390 -27.783 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.487 5.694 -29.350 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -10.296 3.552 -29.060 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.577 4.377 -27.508 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -11.588 2.989 -27.974 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -11.868 3.844 -30.942 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.251 3.298 -29.964 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -13.302 4.884 -30.770 1.00 0.00 H new ATOM 17 N GLY A 2 -12.419 4.980 -25.762 1.00 0.00 N ATOM 18 CA GLY A 2 -11.889 5.388 -24.473 1.00 0.00 C ATOM 19 C GLY A 2 -12.967 6.071 -23.628 1.00 0.00 C ATOM 20 O GLY A 2 -13.769 6.845 -24.147 1.00 0.00 O ATOM 0 H GLY A 2 -12.668 3.993 -25.828 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -11.503 4.518 -23.942 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.051 6.069 -24.620 1.00 0.00 H new ATOM 24 N SER A 3 -12.951 5.759 -22.340 1.00 0.00 N ATOM 25 CA SER A 3 -13.917 6.333 -21.420 1.00 0.00 C ATOM 26 C SER A 3 -13.741 5.721 -20.028 1.00 0.00 C ATOM 27 O SER A 3 -12.890 4.855 -19.830 1.00 0.00 O ATOM 28 CB SER A 3 -15.347 6.118 -21.917 1.00 0.00 C ATOM 29 OG SER A 3 -15.967 7.341 -22.306 1.00 0.00 O ATOM 0 H SER A 3 -12.284 5.116 -21.913 1.00 0.00 H new ATOM 0 HA SER A 3 -13.739 7.407 -21.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.337 5.431 -22.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.937 5.647 -21.131 1.00 0.00 H new ATOM 0 HG SER A 3 -15.494 7.717 -23.077 1.00 0.00 H new ATOM 35 N GLU A 4 -14.558 6.196 -19.100 1.00 0.00 N ATOM 36 CA GLU A 4 -14.504 5.707 -17.733 1.00 0.00 C ATOM 37 C GLU A 4 -13.056 5.427 -17.327 1.00 0.00 C ATOM 38 O GLU A 4 -12.793 4.528 -16.528 1.00 0.00 O ATOM 39 CB GLU A 4 -15.372 4.459 -17.562 1.00 0.00 C ATOM 40 CG GLU A 4 -16.414 4.662 -16.461 1.00 0.00 C ATOM 41 CD GLU A 4 -17.280 3.412 -16.288 1.00 0.00 C ATOM 42 OE1 GLU A 4 -16.729 2.309 -16.487 1.00 0.00 O ATOM 43 OE2 GLU A 4 -18.474 3.590 -15.962 1.00 0.00 O ATOM 0 H GLU A 4 -15.262 6.915 -19.268 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.903 6.479 -17.076 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.872 4.228 -18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.742 3.604 -17.318 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.914 4.895 -15.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.046 5.515 -16.706 1.00 0.00 H new ATOM 50 N VAL A 5 -12.153 6.213 -17.894 1.00 0.00 N ATOM 51 CA VAL A 5 -10.737 6.062 -17.602 1.00 0.00 C ATOM 52 C VAL A 5 -10.013 7.373 -17.912 1.00 0.00 C ATOM 53 O VAL A 5 -10.439 8.130 -18.783 1.00 0.00 O ATOM 54 CB VAL A 5 -10.169 4.868 -18.371 1.00 0.00 C ATOM 55 CG1 VAL A 5 -8.646 4.807 -18.241 1.00 0.00 C ATOM 56 CG2 VAL A 5 -10.812 3.560 -17.909 1.00 0.00 C ATOM 0 H VAL A 5 -12.374 6.958 -18.555 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.586 5.851 -16.543 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.410 5.004 -19.425 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.267 3.949 -18.797 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.210 5.721 -18.643 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.374 4.707 -17.190 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.390 2.728 -18.472 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.618 3.415 -16.846 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.888 3.604 -18.078 1.00 0.00 H new ATOM 66 N SER A 6 -8.933 7.602 -17.180 1.00 0.00 N ATOM 67 CA SER A 6 -8.146 8.809 -17.366 1.00 0.00 C ATOM 68 C SER A 6 -8.756 9.961 -16.565 1.00 0.00 C ATOM 69 O SER A 6 -8.132 11.008 -16.401 1.00 0.00 O ATOM 70 CB SER A 6 -8.052 9.183 -18.846 1.00 0.00 C ATOM 71 OG SER A 6 -6.724 9.538 -19.224 1.00 0.00 O ATOM 0 H SER A 6 -8.584 6.972 -16.457 1.00 0.00 H new ATOM 0 HA SER A 6 -7.136 8.617 -17.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.390 8.344 -19.454 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.723 10.017 -19.053 1.00 0.00 H new ATOM 0 HG SER A 6 -6.705 9.768 -20.176 1.00 0.00 H new ATOM 77 N ASP A 7 -9.971 9.729 -16.089 1.00 0.00 N ATOM 78 CA ASP A 7 -10.673 10.734 -15.309 1.00 0.00 C ATOM 79 C ASP A 7 -10.846 10.232 -13.874 1.00 0.00 C ATOM 80 O ASP A 7 -11.157 11.010 -12.974 1.00 0.00 O ATOM 81 CB ASP A 7 -12.064 11.005 -15.886 1.00 0.00 C ATOM 82 CG ASP A 7 -12.366 12.477 -16.181 1.00 0.00 C ATOM 83 OD1 ASP A 7 -11.568 13.080 -16.931 1.00 0.00 O ATOM 84 OD2 ASP A 7 -13.388 12.963 -15.652 1.00 0.00 O ATOM 0 H ASP A 7 -10.487 8.860 -16.229 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.086 11.652 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.176 10.435 -16.808 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.811 10.629 -15.186 1.00 0.00 H new ATOM 89 N LYS A 8 -10.637 8.934 -13.707 1.00 0.00 N ATOM 90 CA LYS A 8 -10.766 8.319 -12.396 1.00 0.00 C ATOM 91 C LYS A 8 -9.648 8.830 -11.485 1.00 0.00 C ATOM 92 O LYS A 8 -8.936 9.769 -11.837 1.00 0.00 O ATOM 93 CB LYS A 8 -10.808 6.795 -12.522 1.00 0.00 C ATOM 94 CG LYS A 8 -12.242 6.301 -12.728 1.00 0.00 C ATOM 95 CD LYS A 8 -12.680 6.478 -14.182 1.00 0.00 C ATOM 96 CE LYS A 8 -13.782 7.532 -14.299 1.00 0.00 C ATOM 97 NZ LYS A 8 -15.054 7.015 -13.745 1.00 0.00 N ATOM 0 H LYS A 8 -10.380 8.292 -14.457 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.710 8.604 -11.932 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.187 6.479 -13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.388 6.341 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.312 5.250 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.917 6.850 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.824 6.772 -14.790 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.038 5.527 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.487 8.436 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.919 7.809 -15.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.853 7.428 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.078 5.979 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.126 7.274 -12.740 1.00 0.00 H new ATOM 111 N ARG A 9 -9.529 8.189 -10.331 1.00 0.00 N ATOM 112 CA ARG A 9 -8.510 8.567 -9.367 1.00 0.00 C ATOM 113 C ARG A 9 -7.349 7.572 -9.405 1.00 0.00 C ATOM 114 O ARG A 9 -6.250 7.910 -9.843 1.00 0.00 O ATOM 115 CB ARG A 9 -9.084 8.618 -7.951 1.00 0.00 C ATOM 116 CG ARG A 9 -8.332 9.635 -7.089 1.00 0.00 C ATOM 117 CD ARG A 9 -9.217 10.842 -6.768 1.00 0.00 C ATOM 118 NE ARG A 9 -8.539 11.720 -5.788 1.00 0.00 N ATOM 119 CZ ARG A 9 -8.565 11.527 -4.462 1.00 0.00 C ATOM 120 NH1 ARG A 9 -9.236 10.486 -3.950 1.00 0.00 N ATOM 121 NH2 ARG A 9 -7.921 12.374 -3.649 1.00 0.00 N ATOM 0 H ARG A 9 -10.122 7.411 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.150 9.560 -9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.141 8.882 -7.993 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.020 7.631 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.006 9.162 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.434 9.966 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.432 11.399 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.173 10.506 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.019 12.522 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.727 9.841 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.256 10.339 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.411 13.166 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.941 12.227 -2.640 1.00 0.00 H new ATOM 135 N THR A 10 -7.631 6.364 -8.939 1.00 0.00 N ATOM 136 CA THR A 10 -6.624 5.318 -8.914 1.00 0.00 C ATOM 137 C THR A 10 -7.031 4.163 -9.832 1.00 0.00 C ATOM 138 O THR A 10 -6.251 3.737 -10.682 1.00 0.00 O ATOM 139 CB THR A 10 -6.420 4.892 -7.457 1.00 0.00 C ATOM 140 OG1 THR A 10 -5.495 5.847 -6.943 1.00 0.00 O ATOM 141 CG2 THR A 10 -5.685 3.557 -7.334 1.00 0.00 C ATOM 0 H THR A 10 -8.543 6.087 -8.576 1.00 0.00 H new ATOM 0 HA THR A 10 -5.670 5.679 -9.300 1.00 0.00 H new ATOM 0 HB THR A 10 -7.388 4.819 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.307 5.647 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.567 3.302 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.260 2.778 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.703 3.638 -7.800 1.00 0.00 H new ATOM 149 N CYS A 11 -8.252 3.690 -9.628 1.00 0.00 N ATOM 150 CA CYS A 11 -8.772 2.593 -10.428 1.00 0.00 C ATOM 151 C CYS A 11 -10.147 2.998 -10.961 1.00 0.00 C ATOM 152 O CYS A 11 -10.456 4.185 -11.056 1.00 0.00 O ATOM 153 CB CYS A 11 -8.830 1.289 -9.629 1.00 0.00 C ATOM 154 SG CYS A 11 -10.328 1.089 -8.596 1.00 0.00 S ATOM 0 H CYS A 11 -8.896 4.046 -8.921 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.102 2.399 -11.265 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.770 0.451 -10.323 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.952 1.234 -8.986 1.00 0.00 H new ATOM 159 N VAL A 12 -10.938 1.988 -11.296 1.00 0.00 N ATOM 160 CA VAL A 12 -12.273 2.225 -11.818 1.00 0.00 C ATOM 161 C VAL A 12 -13.306 1.839 -10.757 1.00 0.00 C ATOM 162 O VAL A 12 -13.627 2.637 -9.879 1.00 0.00 O ATOM 163 CB VAL A 12 -12.461 1.472 -13.136 1.00 0.00 C ATOM 164 CG1 VAL A 12 -11.748 0.118 -13.102 1.00 0.00 C ATOM 165 CG2 VAL A 12 -13.945 1.302 -13.464 1.00 0.00 C ATOM 0 H VAL A 12 -10.680 1.005 -11.216 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.414 3.283 -12.040 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.009 2.068 -13.929 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.898 -0.396 -14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.682 0.272 -12.937 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.156 -0.488 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.050 0.764 -14.406 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.431 0.739 -12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.413 2.283 -13.553 1.00 0.00 H new ATOM 175 N SER A 13 -13.797 0.613 -10.874 1.00 0.00 N ATOM 176 CA SER A 13 -14.788 0.112 -9.936 1.00 0.00 C ATOM 177 C SER A 13 -14.101 -0.693 -8.832 1.00 0.00 C ATOM 178 O SER A 13 -12.887 -0.600 -8.654 1.00 0.00 O ATOM 179 CB SER A 13 -15.834 -0.748 -10.648 1.00 0.00 C ATOM 180 OG SER A 13 -17.129 -0.598 -10.073 1.00 0.00 O ATOM 0 H SER A 13 -13.527 -0.047 -11.603 1.00 0.00 H new ATOM 0 HA SER A 13 -15.301 0.965 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.872 -0.474 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.535 -1.795 -10.601 1.00 0.00 H new ATOM 0 HG SER A 13 -17.769 -1.162 -10.556 1.00 0.00 H new ATOM 186 N LEU A 14 -14.906 -1.466 -8.118 1.00 0.00 N ATOM 187 CA LEU A 14 -14.392 -2.287 -7.036 1.00 0.00 C ATOM 188 C LEU A 14 -14.371 -3.752 -7.477 1.00 0.00 C ATOM 189 O LEU A 14 -15.413 -4.405 -7.519 1.00 0.00 O ATOM 190 CB LEU A 14 -15.188 -2.042 -5.752 1.00 0.00 C ATOM 191 CG LEU A 14 -14.610 -1.000 -4.793 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.611 -0.657 -3.689 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.266 -1.461 -4.226 1.00 0.00 C ATOM 0 H LEU A 14 -15.912 -1.541 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.364 -2.010 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.197 -1.734 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.278 -2.988 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.424 -0.085 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.175 0.086 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.521 -0.255 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.851 -1.557 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.878 -0.702 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.402 -2.397 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.560 -1.614 -5.042 1.00 0.00 H new ATOM 205 N THR A 15 -13.176 -4.225 -7.795 1.00 0.00 N ATOM 206 CA THR A 15 -13.007 -5.601 -8.232 1.00 0.00 C ATOM 207 C THR A 15 -13.425 -5.750 -9.696 1.00 0.00 C ATOM 208 O THR A 15 -13.113 -4.896 -10.525 1.00 0.00 O ATOM 209 CB THR A 15 -13.796 -6.499 -7.279 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.692 -5.845 -6.017 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.119 -7.853 -7.054 1.00 0.00 C ATOM 0 H THR A 15 -12.314 -3.680 -7.759 1.00 0.00 H new ATOM 0 HA THR A 15 -11.961 -5.904 -8.194 1.00 0.00 H new ATOM 0 HB THR A 15 -14.799 -6.656 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.178 -6.361 -5.340 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.721 -8.451 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.025 -8.375 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.129 -7.698 -6.626 1.00 0.00 H new ATOM 219 N THR A 16 -14.125 -6.841 -9.970 1.00 0.00 N ATOM 220 CA THR A 16 -14.589 -7.114 -11.319 1.00 0.00 C ATOM 221 C THR A 16 -13.477 -7.766 -12.144 1.00 0.00 C ATOM 222 O THR A 16 -13.699 -8.160 -13.288 1.00 0.00 O ATOM 223 CB THR A 16 -15.101 -5.802 -11.917 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.230 -6.191 -12.693 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.131 -5.208 -12.942 1.00 0.00 C ATOM 0 H THR A 16 -14.382 -7.547 -9.280 1.00 0.00 H new ATOM 0 HA THR A 16 -15.411 -7.830 -11.318 1.00 0.00 H new ATOM 0 HB THR A 16 -15.271 -5.081 -11.117 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.625 -5.400 -13.116 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.542 -4.278 -13.336 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.173 -5.007 -12.462 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.987 -5.915 -13.759 1.00 0.00 H new ATOM 233 N GLN A 17 -12.307 -7.859 -11.531 1.00 0.00 N ATOM 234 CA GLN A 17 -11.161 -8.456 -12.195 1.00 0.00 C ATOM 235 C GLN A 17 -10.356 -9.302 -11.206 1.00 0.00 C ATOM 236 O GLN A 17 -9.289 -8.889 -10.754 1.00 0.00 O ATOM 237 CB GLN A 17 -10.281 -7.384 -12.841 1.00 0.00 C ATOM 238 CG GLN A 17 -9.884 -6.314 -11.823 1.00 0.00 C ATOM 239 CD GLN A 17 -8.516 -5.715 -12.161 1.00 0.00 C ATOM 240 OE1 GLN A 17 -7.504 -6.036 -11.559 1.00 0.00 O ATOM 241 NE2 GLN A 17 -8.543 -4.833 -13.154 1.00 0.00 N ATOM 0 H GLN A 17 -12.128 -7.531 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.525 -9.108 -12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.385 -7.846 -13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.815 -6.921 -13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.636 -5.525 -11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.857 -6.749 -10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.425 -4.611 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.681 -4.378 -13.456 1.00 0.00 H new ATOM 250 N ARG A 18 -10.898 -10.470 -10.897 1.00 0.00 N ATOM 251 CA ARG A 18 -10.245 -11.378 -9.970 1.00 0.00 C ATOM 252 C ARG A 18 -8.943 -11.908 -10.575 1.00 0.00 C ATOM 253 O ARG A 18 -8.876 -13.060 -11.001 1.00 0.00 O ATOM 254 CB ARG A 18 -11.153 -12.558 -9.621 1.00 0.00 C ATOM 255 CG ARG A 18 -11.231 -12.761 -8.106 1.00 0.00 C ATOM 256 CD ARG A 18 -11.000 -14.228 -7.737 1.00 0.00 C ATOM 257 NE ARG A 18 -11.941 -14.635 -6.670 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.814 -15.754 -5.943 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.785 -16.583 -6.163 1.00 0.00 N ATOM 260 NH2 ARG A 18 -12.716 -16.043 -4.995 1.00 0.00 N ATOM 0 H ARG A 18 -11.784 -10.809 -11.273 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.027 -10.820 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.152 -12.383 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.775 -13.464 -10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.486 -12.137 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.207 -12.440 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.138 -14.859 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.973 -14.370 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.736 -14.026 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.098 -16.363 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.689 -17.434 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.499 -15.412 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.619 -16.894 -4.442 1.00 0.00 H new ATOM 274 N LEU A 19 -7.941 -11.041 -10.593 1.00 0.00 N ATOM 275 CA LEU A 19 -6.645 -11.408 -11.138 1.00 0.00 C ATOM 276 C LEU A 19 -5.900 -12.283 -10.129 1.00 0.00 C ATOM 277 O LEU A 19 -6.153 -12.203 -8.927 1.00 0.00 O ATOM 278 CB LEU A 19 -5.868 -10.158 -11.560 1.00 0.00 C ATOM 279 CG LEU A 19 -5.242 -9.344 -10.427 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.170 -8.393 -10.963 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.315 -8.604 -9.626 1.00 0.00 C ATOM 0 H LEU A 19 -8.000 -10.086 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.768 -12.001 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.075 -10.461 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.541 -9.508 -12.119 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.748 -10.034 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.741 -7.826 -10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.386 -8.969 -11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.619 -7.706 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.843 -8.033 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.858 -7.926 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.010 -9.325 -9.195 1.00 0.00 H new ATOM 293 N PRO A 20 -4.973 -13.120 -10.667 1.00 0.00 N ATOM 294 CA PRO A 20 -4.190 -14.008 -9.826 1.00 0.00 C ATOM 295 C PRO A 20 -3.105 -13.236 -9.072 1.00 0.00 C ATOM 296 O PRO A 20 -2.424 -12.390 -9.650 1.00 0.00 O ATOM 297 CB PRO A 20 -3.623 -15.051 -10.776 1.00 0.00 C ATOM 298 CG PRO A 20 -3.726 -14.447 -12.167 1.00 0.00 C ATOM 299 CD PRO A 20 -4.646 -13.241 -12.085 1.00 0.00 C ATOM 0 HA PRO A 20 -4.786 -14.480 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.588 -15.284 -10.527 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.184 -15.983 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.741 -14.152 -12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.118 -15.179 -12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.154 -12.342 -12.456 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.543 -13.385 -12.687 1.00 0.00 H new ATOM 307 N VAL A 21 -2.978 -13.554 -7.792 1.00 0.00 N ATOM 308 CA VAL A 21 -1.988 -12.901 -6.953 1.00 0.00 C ATOM 309 C VAL A 21 -0.622 -12.966 -7.638 1.00 0.00 C ATOM 310 O VAL A 21 0.154 -12.013 -7.575 1.00 0.00 O ATOM 311 CB VAL A 21 -1.988 -13.529 -5.558 1.00 0.00 C ATOM 312 CG1 VAL A 21 -1.110 -14.782 -5.521 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.543 -12.517 -4.500 1.00 0.00 C ATOM 0 H VAL A 21 -3.545 -14.256 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.235 -11.848 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.010 -13.828 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.127 -15.209 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.490 -15.514 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.086 -14.517 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.552 -12.990 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.534 -12.173 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.225 -11.667 -4.500 1.00 0.00 H new ATOM 323 N SER A 22 -0.370 -14.099 -8.277 1.00 0.00 N ATOM 324 CA SER A 22 0.890 -14.300 -8.974 1.00 0.00 C ATOM 325 C SER A 22 1.093 -13.200 -10.016 1.00 0.00 C ATOM 326 O SER A 22 2.227 -12.855 -10.347 1.00 0.00 O ATOM 327 CB SER A 22 0.937 -15.678 -9.640 1.00 0.00 C ATOM 328 OG SER A 22 1.838 -15.707 -10.743 1.00 0.00 O ATOM 0 H SER A 22 -1.016 -14.887 -8.327 1.00 0.00 H new ATOM 0 HA SER A 22 1.697 -14.252 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.238 -16.425 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.062 -15.950 -9.981 1.00 0.00 H new ATOM 0 HG SER A 22 1.841 -16.603 -11.140 1.00 0.00 H new ATOM 334 N ARG A 23 -0.022 -12.678 -10.505 1.00 0.00 N ATOM 335 CA ARG A 23 0.020 -11.623 -11.503 1.00 0.00 C ATOM 336 C ARG A 23 0.081 -10.253 -10.825 1.00 0.00 C ATOM 337 O ARG A 23 0.347 -9.245 -11.478 1.00 0.00 O ATOM 338 CB ARG A 23 -1.208 -11.679 -12.416 1.00 0.00 C ATOM 339 CG ARG A 23 -0.804 -11.990 -13.859 1.00 0.00 C ATOM 340 CD ARG A 23 -0.533 -13.484 -14.042 1.00 0.00 C ATOM 341 NE ARG A 23 -1.258 -13.988 -15.231 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.784 -13.925 -16.483 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.417 -13.380 -16.717 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.512 -14.407 -17.500 1.00 0.00 N ATOM 0 H ARG A 23 -0.961 -12.966 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 23 0.915 -11.773 -12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.899 -12.441 -12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.737 -10.726 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.596 -11.674 -14.538 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.087 -11.420 -14.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.537 -13.656 -14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.849 -14.031 -13.154 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.176 -14.410 -15.088 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.970 -13.013 -15.943 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.778 -13.332 -17.670 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.427 -14.822 -17.321 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.151 -14.359 -18.453 1.00 0.00 H new ATOM 358 N ILE A 24 -0.170 -10.261 -9.524 1.00 0.00 N ATOM 359 CA ILE A 24 -0.146 -9.031 -8.751 1.00 0.00 C ATOM 360 C ILE A 24 1.222 -8.880 -8.082 1.00 0.00 C ATOM 361 O ILE A 24 1.874 -9.874 -7.766 1.00 0.00 O ATOM 362 CB ILE A 24 -1.319 -8.993 -7.770 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.644 -9.264 -8.486 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.345 -7.673 -6.997 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.639 -9.956 -7.554 1.00 0.00 C ATOM 0 H ILE A 24 -0.391 -11.099 -8.986 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.278 -8.168 -9.403 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.179 -9.791 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.067 -8.325 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.467 -9.887 -9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.189 -7.672 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.417 -7.561 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.448 -6.844 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.572 -10.137 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.223 -10.906 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.832 -9.319 -6.691 1.00 0.00 H new ATOM 377 N LYS A 25 1.613 -7.630 -7.885 1.00 0.00 N ATOM 378 CA LYS A 25 2.892 -7.337 -7.259 1.00 0.00 C ATOM 379 C LYS A 25 2.658 -6.913 -5.807 1.00 0.00 C ATOM 380 O LYS A 25 2.724 -7.738 -4.898 1.00 0.00 O ATOM 381 CB LYS A 25 3.668 -6.308 -8.082 1.00 0.00 C ATOM 382 CG LYS A 25 5.055 -6.062 -7.486 1.00 0.00 C ATOM 383 CD LYS A 25 6.155 -6.420 -8.488 1.00 0.00 C ATOM 384 CE LYS A 25 6.962 -5.181 -8.883 1.00 0.00 C ATOM 385 NZ LYS A 25 7.480 -5.319 -10.262 1.00 0.00 N ATOM 0 H LYS A 25 1.068 -6.809 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 25 3.518 -8.229 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.767 -6.659 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.112 -5.371 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.149 -5.016 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.176 -6.656 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.819 -7.167 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.710 -6.867 -9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.334 -4.293 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.791 -5.043 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.025 -4.470 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.095 -6.156 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.684 -5.428 -10.922 1.00 0.00 H new ATOM 399 N THR A 26 2.390 -5.627 -5.636 1.00 0.00 N ATOM 400 CA THR A 26 2.146 -5.084 -4.310 1.00 0.00 C ATOM 401 C THR A 26 0.718 -4.541 -4.210 1.00 0.00 C ATOM 402 O THR A 26 0.014 -4.450 -5.213 1.00 0.00 O ATOM 403 CB THR A 26 3.218 -4.029 -4.027 1.00 0.00 C ATOM 404 OG1 THR A 26 3.133 -3.817 -2.621 1.00 0.00 O ATOM 405 CG2 THR A 26 2.871 -2.666 -4.631 1.00 0.00 C ATOM 0 H THR A 26 2.336 -4.945 -6.393 1.00 0.00 H new ATOM 0 HA THR A 26 2.220 -5.858 -3.546 1.00 0.00 H new ATOM 0 HB THR A 26 4.175 -4.368 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.764 -2.926 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.664 -1.954 -4.401 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.771 -2.762 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.931 -2.310 -4.210 1.00 0.00 H new ATOM 413 N TYR A 27 0.335 -4.196 -2.990 1.00 0.00 N ATOM 414 CA TYR A 27 -0.995 -3.666 -2.746 1.00 0.00 C ATOM 415 C TYR A 27 -0.963 -2.579 -1.668 1.00 0.00 C ATOM 416 O TYR A 27 -0.008 -2.492 -0.898 1.00 0.00 O ATOM 417 CB TYR A 27 -1.832 -4.842 -2.241 1.00 0.00 C ATOM 418 CG TYR A 27 -1.284 -5.498 -0.972 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.147 -6.277 -1.035 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.925 -5.308 0.236 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.370 -6.894 0.160 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.408 -5.925 1.430 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.287 -6.687 1.333 1.00 0.00 C ATOM 424 OH TYR A 27 0.201 -7.270 2.461 1.00 0.00 O ATOM 0 H TYR A 27 0.923 -4.273 -2.160 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.403 -3.222 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.847 -4.496 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.895 -5.594 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.355 -6.424 -1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.814 -4.697 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.259 -7.507 0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.900 -5.785 2.381 1.00 0.00 H new ATOM 0 HH TYR A 27 1.170 -7.390 2.374 1.00 0.00 H new ATOM 434 N THR A 28 -2.018 -1.778 -1.650 1.00 0.00 N ATOM 435 CA THR A 28 -2.122 -0.700 -0.681 1.00 0.00 C ATOM 436 C THR A 28 -3.557 -0.589 -0.159 1.00 0.00 C ATOM 437 O THR A 28 -4.485 -0.360 -0.932 1.00 0.00 O ATOM 438 CB THR A 28 -1.616 0.583 -1.343 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.316 0.769 -0.788 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.394 1.820 -0.893 1.00 0.00 C ATOM 0 H THR A 28 -2.808 -1.854 -2.291 1.00 0.00 H new ATOM 0 HA THR A 28 -1.504 -0.896 0.195 1.00 0.00 H new ATOM 0 HB THR A 28 -1.686 0.485 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.087 1.579 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.995 2.703 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.446 1.702 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.296 1.939 0.186 1.00 0.00 H new ATOM 448 N ILE A 29 -3.692 -0.758 1.148 1.00 0.00 N ATOM 449 CA ILE A 29 -4.997 -0.680 1.782 1.00 0.00 C ATOM 450 C ILE A 29 -5.123 0.657 2.516 1.00 0.00 C ATOM 451 O ILE A 29 -4.186 1.093 3.183 1.00 0.00 O ATOM 452 CB ILE A 29 -5.232 -1.898 2.677 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.271 -3.185 1.850 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.494 -1.721 3.523 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.514 -4.403 2.745 1.00 0.00 C ATOM 0 H ILE A 29 -2.919 -0.949 1.785 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.787 -0.708 1.032 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.392 -1.984 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.059 -3.117 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.330 -3.305 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.638 -2.601 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.388 -0.839 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.357 -1.597 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.537 -5.305 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.711 -4.482 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.467 -4.290 3.262 1.00 0.00 H new ATOM 467 N THR A 30 -6.289 1.269 2.370 1.00 0.00 N ATOM 468 CA THR A 30 -6.550 2.547 3.011 1.00 0.00 C ATOM 469 C THR A 30 -7.556 2.376 4.150 1.00 0.00 C ATOM 470 O THR A 30 -8.254 1.365 4.220 1.00 0.00 O ATOM 471 CB THR A 30 -7.010 3.531 1.935 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.026 2.823 1.229 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.934 3.789 0.878 1.00 0.00 C ATOM 0 H THR A 30 -7.064 0.903 1.817 1.00 0.00 H new ATOM 0 HA THR A 30 -5.649 2.949 3.474 1.00 0.00 H new ATOM 0 HB THR A 30 -7.293 4.474 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.887 2.926 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.312 4.494 0.138 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.047 4.205 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.675 2.851 0.386 1.00 0.00 H new ATOM 481 N GLU A 31 -7.601 3.379 5.013 1.00 0.00 N ATOM 482 CA GLU A 31 -8.511 3.353 6.146 1.00 0.00 C ATOM 483 C GLU A 31 -9.493 4.523 6.064 1.00 0.00 C ATOM 484 O GLU A 31 -10.557 4.490 6.681 1.00 0.00 O ATOM 485 CB GLU A 31 -7.742 3.374 7.468 1.00 0.00 C ATOM 486 CG GLU A 31 -7.929 2.060 8.231 1.00 0.00 C ATOM 487 CD GLU A 31 -9.023 2.193 9.292 1.00 0.00 C ATOM 488 OE1 GLU A 31 -10.134 2.622 8.911 1.00 0.00 O ATOM 489 OE2 GLU A 31 -8.724 1.863 10.460 1.00 0.00 O ATOM 0 H GLU A 31 -7.022 4.216 4.951 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.079 2.424 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.682 3.539 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.087 4.207 8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.189 1.264 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.990 1.774 8.705 1.00 0.00 H new ATOM 496 N GLY A 32 -9.101 5.531 5.298 1.00 0.00 N ATOM 497 CA GLY A 32 -9.934 6.710 5.127 1.00 0.00 C ATOM 498 C GLY A 32 -11.173 6.389 4.288 1.00 0.00 C ATOM 499 O GLY A 32 -11.431 5.229 3.974 1.00 0.00 O ATOM 0 H GLY A 32 -8.218 5.556 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.239 7.089 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.358 7.500 4.644 1.00 0.00 H new ATOM 503 N SER A 33 -11.906 7.440 3.949 1.00 0.00 N ATOM 504 CA SER A 33 -13.112 7.285 3.153 1.00 0.00 C ATOM 505 C SER A 33 -12.893 6.222 2.074 1.00 0.00 C ATOM 506 O SER A 33 -13.834 5.542 1.669 1.00 0.00 O ATOM 507 CB SER A 33 -13.523 8.613 2.514 1.00 0.00 C ATOM 508 OG SER A 33 -13.965 9.558 3.484 1.00 0.00 O ATOM 0 H SER A 33 -11.688 8.401 4.211 1.00 0.00 H new ATOM 0 HA SER A 33 -13.919 6.964 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.678 9.027 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.319 8.436 1.791 1.00 0.00 H new ATOM 0 HG SER A 33 -14.217 10.393 3.037 1.00 0.00 H new ATOM 514 N LEU A 34 -11.646 6.114 1.640 1.00 0.00 N ATOM 515 CA LEU A 34 -11.292 5.145 0.616 1.00 0.00 C ATOM 516 C LEU A 34 -11.579 3.734 1.134 1.00 0.00 C ATOM 517 O LEU A 34 -12.362 2.997 0.537 1.00 0.00 O ATOM 518 CB LEU A 34 -9.846 5.351 0.160 1.00 0.00 C ATOM 519 CG LEU A 34 -9.642 5.591 -1.337 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.173 5.881 -1.650 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.183 4.420 -2.158 1.00 0.00 C ATOM 0 H LEU A 34 -10.868 6.681 1.978 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.906 5.289 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.432 6.200 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.266 4.474 0.449 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.212 6.475 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.055 6.048 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.854 6.771 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.562 5.031 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.026 4.616 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.660 3.506 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.249 4.302 -1.965 1.00 0.00 H new ATOM 533 N ARG A 35 -10.928 3.400 2.238 1.00 0.00 N ATOM 534 CA ARG A 35 -11.103 2.091 2.843 1.00 0.00 C ATOM 535 C ARG A 35 -11.251 1.021 1.759 1.00 0.00 C ATOM 536 O ARG A 35 -12.232 0.279 1.744 1.00 0.00 O ATOM 537 CB ARG A 35 -12.335 2.062 3.749 1.00 0.00 C ATOM 538 CG ARG A 35 -12.188 1.004 4.843 1.00 0.00 C ATOM 539 CD ARG A 35 -12.669 1.540 6.193 1.00 0.00 C ATOM 540 NE ARG A 35 -12.294 0.600 7.273 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.880 0.567 8.478 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.872 1.420 8.763 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.475 -0.319 9.397 1.00 0.00 N ATOM 0 H ARG A 35 -10.278 4.014 2.730 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.219 1.884 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.479 3.042 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.224 1.853 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.761 0.117 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.145 0.698 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.229 2.519 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.751 1.675 6.176 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.542 -0.064 7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.181 2.095 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.318 1.395 9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.720 -0.970 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.922 -0.343 10.314 1.00 0.00 H new ATOM 557 N ALA A 36 -10.261 0.975 0.879 1.00 0.00 N ATOM 558 CA ALA A 36 -10.269 0.009 -0.205 1.00 0.00 C ATOM 559 C ALA A 36 -8.874 -0.605 -0.346 1.00 0.00 C ATOM 560 O ALA A 36 -7.882 -0.001 0.059 1.00 0.00 O ATOM 561 CB ALA A 36 -10.738 0.689 -1.493 1.00 0.00 C ATOM 0 H ALA A 36 -9.448 1.591 0.895 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.967 -0.801 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.744 -0.037 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.744 1.083 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.060 1.506 -1.741 1.00 0.00 H new ATOM 567 N VAL A 37 -8.842 -1.798 -0.921 1.00 0.00 N ATOM 568 CA VAL A 37 -7.586 -2.500 -1.120 1.00 0.00 C ATOM 569 C VAL A 37 -7.084 -2.247 -2.543 1.00 0.00 C ATOM 570 O VAL A 37 -7.784 -2.540 -3.513 1.00 0.00 O ATOM 571 CB VAL A 37 -7.761 -3.986 -0.804 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.686 -4.185 0.400 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.277 -4.750 -2.024 1.00 0.00 C ATOM 0 H VAL A 37 -9.667 -2.296 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.826 -2.123 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.782 -4.391 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.794 -5.250 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.259 -3.690 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.664 -3.756 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.392 -5.804 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.241 -4.342 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.566 -4.649 -2.844 1.00 0.00 H new ATOM 583 N ILE A 38 -5.878 -1.706 -2.625 1.00 0.00 N ATOM 584 CA ILE A 38 -5.276 -1.411 -3.913 1.00 0.00 C ATOM 585 C ILE A 38 -4.333 -2.552 -4.305 1.00 0.00 C ATOM 586 O ILE A 38 -3.511 -2.985 -3.499 1.00 0.00 O ATOM 587 CB ILE A 38 -4.601 -0.038 -3.887 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.610 1.062 -3.548 1.00 0.00 C ATOM 589 CG2 ILE A 38 -3.872 0.240 -5.204 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.541 1.336 -4.730 1.00 0.00 C ATOM 0 H ILE A 38 -5.301 -1.464 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.042 -1.350 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.850 -0.042 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.198 0.766 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.080 1.976 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.401 1.222 -5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.109 -0.521 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.586 0.218 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.248 2.121 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.953 1.655 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.087 0.427 -4.981 1.00 0.00 H new ATOM 602 N PHE A 39 -4.485 -3.004 -5.540 1.00 0.00 N ATOM 603 CA PHE A 39 -3.657 -4.085 -6.049 1.00 0.00 C ATOM 604 C PHE A 39 -2.826 -3.623 -7.246 1.00 0.00 C ATOM 605 O PHE A 39 -3.376 -3.245 -8.279 1.00 0.00 O ATOM 606 CB PHE A 39 -4.605 -5.199 -6.498 1.00 0.00 C ATOM 607 CG PHE A 39 -5.271 -5.953 -5.346 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.512 -6.476 -4.347 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.623 -6.101 -5.322 1.00 0.00 C ATOM 610 CE1 PHE A 39 -5.130 -7.177 -3.277 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.241 -6.801 -4.252 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.481 -7.324 -3.253 1.00 0.00 C ATOM 0 H PHE A 39 -5.169 -2.642 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.969 -4.424 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.380 -4.769 -7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.050 -5.909 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.439 -6.359 -4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.226 -5.686 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.527 -7.593 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.314 -6.918 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.951 -7.857 -2.440 1.00 0.00 H new ATOM 622 N ILE A 40 -1.514 -3.670 -7.068 1.00 0.00 N ATOM 623 CA ILE A 40 -0.600 -3.261 -8.122 1.00 0.00 C ATOM 624 C ILE A 40 0.003 -4.503 -8.779 1.00 0.00 C ATOM 625 O ILE A 40 0.545 -5.371 -8.095 1.00 0.00 O ATOM 626 CB ILE A 40 0.444 -2.285 -7.576 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.187 -1.302 -6.588 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.170 -1.566 -8.716 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.810 -0.214 -6.184 1.00 0.00 C ATOM 0 H ILE A 40 -1.062 -3.985 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.135 -2.717 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 40 1.192 -2.857 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.068 -0.844 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.524 -1.838 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.907 -0.878 -8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.673 -2.299 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.448 -1.008 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.336 0.471 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.679 -0.673 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.127 0.336 -7.070 1.00 0.00 H new ATOM 641 N THR A 41 -0.110 -4.551 -10.098 1.00 0.00 N ATOM 642 CA THR A 41 0.417 -5.673 -10.856 1.00 0.00 C ATOM 643 C THR A 41 1.814 -5.348 -11.387 1.00 0.00 C ATOM 644 O THR A 41 2.230 -4.190 -11.383 1.00 0.00 O ATOM 645 CB THR A 41 -0.588 -6.015 -11.957 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.012 -4.745 -12.446 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.867 -6.648 -11.406 1.00 0.00 C ATOM 0 H THR A 41 -0.560 -3.830 -10.662 1.00 0.00 H new ATOM 0 HA THR A 41 0.540 -6.553 -10.225 1.00 0.00 H new ATOM 0 HB THR A 41 -0.126 -6.695 -12.672 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.758 -4.418 -11.902 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.546 -6.871 -12.229 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.619 -7.570 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.348 -5.955 -10.716 1.00 0.00 H new ATOM 655 N LYS A 42 2.501 -6.390 -11.832 1.00 0.00 N ATOM 656 CA LYS A 42 3.842 -6.230 -12.366 1.00 0.00 C ATOM 657 C LYS A 42 3.801 -5.272 -13.558 1.00 0.00 C ATOM 658 O LYS A 42 4.718 -4.473 -13.750 1.00 0.00 O ATOM 659 CB LYS A 42 4.455 -7.594 -12.694 1.00 0.00 C ATOM 660 CG LYS A 42 4.923 -8.305 -11.422 1.00 0.00 C ATOM 661 CD LYS A 42 4.589 -9.797 -11.474 1.00 0.00 C ATOM 662 CE LYS A 42 3.076 -10.021 -11.464 1.00 0.00 C ATOM 663 NZ LYS A 42 2.610 -10.464 -12.797 1.00 0.00 N ATOM 0 H LYS A 42 2.153 -7.349 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 42 4.498 -5.783 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.721 -8.212 -13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.297 -7.464 -13.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.998 -8.173 -11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.447 -7.852 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.020 -10.239 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.041 -10.304 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.818 -10.769 -10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.568 -9.099 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.646 -10.110 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.247 -10.091 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.608 -11.503 -12.837 1.00 0.00 H new ATOM 677 N ARG A 43 2.730 -5.383 -14.329 1.00 0.00 N ATOM 678 CA ARG A 43 2.557 -4.537 -15.498 1.00 0.00 C ATOM 679 C ARG A 43 2.510 -3.064 -15.084 1.00 0.00 C ATOM 680 O ARG A 43 2.743 -2.178 -15.905 1.00 0.00 O ATOM 681 CB ARG A 43 1.271 -4.890 -16.248 1.00 0.00 C ATOM 682 CG ARG A 43 1.579 -5.370 -17.667 1.00 0.00 C ATOM 683 CD ARG A 43 0.875 -4.496 -18.707 1.00 0.00 C ATOM 684 NE ARG A 43 1.866 -3.661 -19.422 1.00 0.00 N ATOM 685 CZ ARG A 43 2.804 -4.149 -20.246 1.00 0.00 C ATOM 686 NH1 ARG A 43 2.885 -5.469 -20.463 1.00 0.00 N ATOM 687 NH2 ARG A 43 3.662 -3.316 -20.852 1.00 0.00 N ATOM 0 H ARG A 43 1.972 -6.046 -14.167 1.00 0.00 H new ATOM 0 HA ARG A 43 3.407 -4.706 -16.159 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.731 -5.667 -15.706 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.618 -4.018 -16.289 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.655 -5.347 -17.837 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.260 -6.406 -17.781 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.337 -5.124 -19.417 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.136 -3.860 -18.219 1.00 0.00 H new ATOM 0 HE ARG A 43 1.833 -2.652 -19.279 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.233 -6.103 -20.001 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.599 -5.840 -21.090 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.601 -2.311 -20.686 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.376 -3.687 -21.479 1.00 0.00 H new ATOM 701 N GLY A 44 2.209 -2.850 -13.811 1.00 0.00 N ATOM 702 CA GLY A 44 2.128 -1.500 -13.280 1.00 0.00 C ATOM 703 C GLY A 44 0.673 -1.042 -13.163 1.00 0.00 C ATOM 704 O GLY A 44 0.407 0.099 -12.791 1.00 0.00 O ATOM 0 H GLY A 44 2.019 -3.588 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.605 -1.462 -12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.677 -0.817 -13.928 1.00 0.00 H new ATOM 708 N LEU A 45 -0.229 -1.956 -13.488 1.00 0.00 N ATOM 709 CA LEU A 45 -1.650 -1.660 -13.424 1.00 0.00 C ATOM 710 C LEU A 45 -2.130 -1.793 -11.978 1.00 0.00 C ATOM 711 O LEU A 45 -1.992 -2.853 -11.370 1.00 0.00 O ATOM 712 CB LEU A 45 -2.424 -2.535 -14.413 1.00 0.00 C ATOM 713 CG LEU A 45 -2.974 -1.823 -15.651 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.909 -2.734 -16.879 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.388 -1.299 -15.400 1.00 0.00 C ATOM 0 H LEU A 45 -0.004 -2.902 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.839 -0.631 -13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.770 -3.342 -14.743 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.257 -2.997 -13.884 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.344 -0.958 -15.857 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.306 -2.205 -17.746 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.873 -3.016 -17.068 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.502 -3.631 -16.699 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.755 -0.798 -16.296 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.047 -2.132 -15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.372 -0.593 -14.570 1.00 0.00 H new ATOM 727 N LYS A 46 -2.684 -0.703 -11.469 1.00 0.00 N ATOM 728 CA LYS A 46 -3.185 -0.683 -10.106 1.00 0.00 C ATOM 729 C LYS A 46 -4.715 -0.648 -10.129 1.00 0.00 C ATOM 730 O LYS A 46 -5.310 0.086 -10.917 1.00 0.00 O ATOM 731 CB LYS A 46 -2.555 0.467 -9.319 1.00 0.00 C ATOM 732 CG LYS A 46 -3.301 1.779 -9.574 1.00 0.00 C ATOM 733 CD LYS A 46 -2.555 2.963 -8.958 1.00 0.00 C ATOM 734 CE LYS A 46 -2.408 2.791 -7.444 1.00 0.00 C ATOM 735 NZ LYS A 46 -2.536 4.097 -6.759 1.00 0.00 N ATOM 0 H LYS A 46 -2.797 0.174 -11.977 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.895 -1.593 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.572 0.236 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.509 0.578 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.414 1.934 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.305 1.718 -9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.569 3.054 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.092 3.887 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.169 2.104 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.439 2.347 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.662 4.301 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.698 4.844 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.338 4.065 -6.098 1.00 0.00 H new ATOM 749 N VAL A 47 -5.307 -1.450 -9.256 1.00 0.00 N ATOM 750 CA VAL A 47 -6.756 -1.520 -9.168 1.00 0.00 C ATOM 751 C VAL A 47 -7.176 -1.446 -7.699 1.00 0.00 C ATOM 752 O VAL A 47 -6.338 -1.544 -6.804 1.00 0.00 O ATOM 753 CB VAL A 47 -7.264 -2.780 -9.872 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.511 -3.907 -8.869 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.525 -2.482 -10.685 1.00 0.00 C ATOM 0 H VAL A 47 -4.810 -2.057 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.211 -0.673 -9.681 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.490 -3.113 -10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.871 -4.790 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.581 -4.146 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.257 -3.589 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.866 -3.394 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.307 -2.113 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.302 -1.726 -11.438 1.00 0.00 H new ATOM 765 N CYS A 48 -8.475 -1.275 -7.495 1.00 0.00 N ATOM 766 CA CYS A 48 -9.016 -1.187 -6.150 1.00 0.00 C ATOM 767 C CYS A 48 -10.032 -2.316 -5.967 1.00 0.00 C ATOM 768 O CYS A 48 -10.791 -2.627 -6.884 1.00 0.00 O ATOM 769 CB CYS A 48 -9.633 0.185 -5.877 1.00 0.00 C ATOM 770 SG CYS A 48 -11.184 0.525 -6.786 1.00 0.00 S ATOM 0 H CYS A 48 -9.168 -1.195 -8.239 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.212 -1.301 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.828 0.274 -4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.903 0.953 -6.132 1.00 0.00 H new ATOM 775 N ALA A 49 -10.014 -2.898 -4.778 1.00 0.00 N ATOM 776 CA ALA A 49 -10.925 -3.986 -4.462 1.00 0.00 C ATOM 777 C ALA A 49 -11.475 -3.791 -3.048 1.00 0.00 C ATOM 778 O ALA A 49 -10.843 -3.142 -2.216 1.00 0.00 O ATOM 779 CB ALA A 49 -10.199 -5.323 -4.627 1.00 0.00 C ATOM 0 H ALA A 49 -9.383 -2.637 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.773 -3.989 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.881 -6.139 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.854 -5.425 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.343 -5.358 -3.952 1.00 0.00 H new ATOM 785 N ASP A 50 -12.646 -4.367 -2.819 1.00 0.00 N ATOM 786 CA ASP A 50 -13.289 -4.265 -1.519 1.00 0.00 C ATOM 787 C ASP A 50 -12.697 -5.317 -0.579 1.00 0.00 C ATOM 788 O ASP A 50 -12.534 -6.475 -0.962 1.00 0.00 O ATOM 789 CB ASP A 50 -14.793 -4.519 -1.628 1.00 0.00 C ATOM 790 CG ASP A 50 -15.666 -3.263 -1.582 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.153 -2.232 -1.096 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.827 -3.363 -2.036 1.00 0.00 O ATOM 0 H ASP A 50 -13.166 -4.906 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.121 -3.258 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.990 -5.046 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.094 -5.182 -0.817 1.00 0.00 H new ATOM 797 N PRO A 51 -12.385 -4.866 0.664 1.00 0.00 N ATOM 798 CA PRO A 51 -11.815 -5.756 1.663 1.00 0.00 C ATOM 799 C PRO A 51 -12.881 -6.694 2.234 1.00 0.00 C ATOM 800 O PRO A 51 -12.602 -7.479 3.137 1.00 0.00 O ATOM 801 CB PRO A 51 -11.211 -4.836 2.711 1.00 0.00 C ATOM 802 CG PRO A 51 -11.865 -3.479 2.503 1.00 0.00 C ATOM 803 CD PRO A 51 -12.564 -3.501 1.153 1.00 0.00 C ATOM 0 HA PRO A 51 -11.056 -6.420 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.402 -5.211 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.129 -4.770 2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.580 -3.274 3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.118 -2.686 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.620 -3.251 1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.126 -2.775 0.468 1.00 0.00 H new ATOM 811 N GLN A 52 -14.081 -6.580 1.681 1.00 0.00 N ATOM 812 CA GLN A 52 -15.189 -7.408 2.123 1.00 0.00 C ATOM 813 C GLN A 52 -15.115 -8.789 1.468 1.00 0.00 C ATOM 814 O GLN A 52 -15.769 -9.729 1.918 1.00 0.00 O ATOM 815 CB GLN A 52 -16.530 -6.732 1.828 1.00 0.00 C ATOM 816 CG GLN A 52 -17.697 -7.604 2.294 1.00 0.00 C ATOM 817 CD GLN A 52 -18.451 -8.195 1.101 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.042 -9.176 0.499 1.00 0.00 O ATOM 819 NE2 GLN A 52 -19.570 -7.548 0.793 1.00 0.00 N ATOM 0 H GLN A 52 -14.309 -5.927 0.931 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.113 -7.536 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.572 -5.765 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.618 -6.542 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.324 -8.409 2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.379 -7.010 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.855 -6.734 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.144 -7.865 0.012 1.00 0.00 H new ATOM 828 N ALA A 53 -14.313 -8.868 0.417 1.00 0.00 N ATOM 829 CA ALA A 53 -14.145 -10.118 -0.304 1.00 0.00 C ATOM 830 C ALA A 53 -13.103 -10.979 0.414 1.00 0.00 C ATOM 831 O ALA A 53 -12.028 -10.496 0.764 1.00 0.00 O ATOM 832 CB ALA A 53 -13.758 -9.823 -1.755 1.00 0.00 C ATOM 0 H ALA A 53 -13.772 -8.086 0.047 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.080 -10.679 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.632 -10.761 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.543 -9.234 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.823 -9.264 -1.776 1.00 0.00 H new ATOM 838 N THR A 54 -13.459 -12.240 0.609 1.00 0.00 N ATOM 839 CA THR A 54 -12.569 -13.174 1.279 1.00 0.00 C ATOM 840 C THR A 54 -11.377 -13.510 0.381 1.00 0.00 C ATOM 841 O THR A 54 -10.248 -13.618 0.857 1.00 0.00 O ATOM 842 CB THR A 54 -13.389 -14.400 1.685 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.041 -13.998 2.887 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.509 -15.576 2.115 1.00 0.00 C ATOM 0 H THR A 54 -14.351 -12.637 0.315 1.00 0.00 H new ATOM 0 HA THR A 54 -12.143 -12.737 2.182 1.00 0.00 H new ATOM 0 HB THR A 54 -14.023 -14.705 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.597 -14.734 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.140 -16.420 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.859 -15.865 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.900 -15.281 2.970 1.00 0.00 H new ATOM 852 N TRP A 55 -11.669 -13.667 -0.902 1.00 0.00 N ATOM 853 CA TRP A 55 -10.635 -13.989 -1.871 1.00 0.00 C ATOM 854 C TRP A 55 -9.593 -12.869 -1.841 1.00 0.00 C ATOM 855 O TRP A 55 -8.392 -13.132 -1.867 1.00 0.00 O ATOM 856 CB TRP A 55 -11.235 -14.211 -3.261 1.00 0.00 C ATOM 857 CG TRP A 55 -11.531 -12.919 -4.024 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.679 -12.228 -4.064 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.612 -12.186 -4.862 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.567 -11.109 -4.863 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.271 -11.082 -5.364 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.269 -12.448 -5.186 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.666 -10.152 -6.217 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.680 -11.508 -6.041 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.329 -10.391 -6.553 1.00 0.00 C ATOM 0 H TRP A 55 -12.607 -13.577 -1.293 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.144 -14.928 -1.613 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.548 -14.819 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.159 -14.781 -3.160 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.578 -12.512 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.301 -10.426 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.734 -13.306 -4.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.203 -9.295 -6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.649 -11.662 -6.322 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.804 -9.711 -7.207 1.00 0.00 H new ATOM 876 N VAL A 56 -10.092 -11.642 -1.788 1.00 0.00 N ATOM 877 CA VAL A 56 -9.220 -10.481 -1.756 1.00 0.00 C ATOM 878 C VAL A 56 -8.286 -10.585 -0.548 1.00 0.00 C ATOM 879 O VAL A 56 -7.079 -10.386 -0.675 1.00 0.00 O ATOM 880 CB VAL A 56 -10.056 -9.199 -1.757 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.180 -7.974 -1.482 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.819 -9.043 -3.073 1.00 0.00 C ATOM 0 H VAL A 56 -11.089 -11.428 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.595 -10.446 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.788 -9.275 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.798 -7.076 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.703 -8.079 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.415 -7.893 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.405 -8.124 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.111 -8.999 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.485 -9.895 -3.210 1.00 0.00 H new ATOM 892 N ARG A 57 -8.879 -10.894 0.595 1.00 0.00 N ATOM 893 CA ARG A 57 -8.116 -11.026 1.824 1.00 0.00 C ATOM 894 C ARG A 57 -7.179 -12.232 1.739 1.00 0.00 C ATOM 895 O ARG A 57 -6.084 -12.213 2.300 1.00 0.00 O ATOM 896 CB ARG A 57 -9.040 -11.190 3.032 1.00 0.00 C ATOM 897 CG ARG A 57 -9.099 -9.903 3.856 1.00 0.00 C ATOM 898 CD ARG A 57 -10.450 -9.766 4.562 1.00 0.00 C ATOM 899 NE ARG A 57 -10.273 -9.899 6.025 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.781 -8.934 6.813 1.00 0.00 C ATOM 901 NH1 ARG A 57 -9.413 -7.759 6.284 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.654 -9.144 8.131 1.00 0.00 N ATOM 0 H ARG A 57 -9.881 -11.057 0.696 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.531 -10.115 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.042 -11.456 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.686 -12.010 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.297 -9.902 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.935 -9.043 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.895 -8.799 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.138 -10.530 4.200 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.543 -10.781 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.508 -7.599 5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.038 -7.024 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.932 -10.039 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.279 -8.409 8.731 1.00 0.00 H new ATOM 916 N ASP A 58 -7.642 -13.252 1.032 1.00 0.00 N ATOM 917 CA ASP A 58 -6.858 -14.465 0.867 1.00 0.00 C ATOM 918 C ASP A 58 -5.600 -14.148 0.055 1.00 0.00 C ATOM 919 O ASP A 58 -4.499 -14.548 0.429 1.00 0.00 O ATOM 920 CB ASP A 58 -7.651 -15.534 0.111 1.00 0.00 C ATOM 921 CG ASP A 58 -7.523 -16.951 0.672 1.00 0.00 C ATOM 922 OD1 ASP A 58 -8.189 -17.219 1.696 1.00 0.00 O ATOM 923 OD2 ASP A 58 -6.762 -17.736 0.065 1.00 0.00 O ATOM 0 H ASP A 58 -8.550 -13.264 0.567 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.602 -14.839 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.704 -15.253 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.324 -15.540 -0.929 1.00 0.00 H new ATOM 928 N VAL A 59 -5.807 -13.431 -1.040 1.00 0.00 N ATOM 929 CA VAL A 59 -4.702 -13.056 -1.907 1.00 0.00 C ATOM 930 C VAL A 59 -3.838 -12.009 -1.201 1.00 0.00 C ATOM 931 O VAL A 59 -2.617 -12.007 -1.347 1.00 0.00 O ATOM 932 CB VAL A 59 -5.238 -12.576 -3.258 1.00 0.00 C ATOM 933 CG1 VAL A 59 -6.100 -13.653 -3.920 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.017 -11.267 -3.106 1.00 0.00 C ATOM 0 H VAL A 59 -6.722 -13.100 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.067 -13.918 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.384 -12.384 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.468 -13.286 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.502 -14.550 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.945 -13.891 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.387 -10.948 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.859 -11.421 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.361 -10.498 -2.698 1.00 0.00 H new ATOM 944 N VAL A 60 -4.507 -11.145 -0.452 1.00 0.00 N ATOM 945 CA VAL A 60 -3.815 -10.095 0.278 1.00 0.00 C ATOM 946 C VAL A 60 -2.790 -10.727 1.222 1.00 0.00 C ATOM 947 O VAL A 60 -1.678 -10.220 1.366 1.00 0.00 O ATOM 948 CB VAL A 60 -4.827 -9.206 1.002 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.157 -8.416 2.128 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.536 -8.269 0.021 1.00 0.00 C ATOM 0 H VAL A 60 -5.520 -11.150 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.269 -9.448 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.581 -9.854 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.899 -7.792 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.722 -9.108 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.372 -7.784 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.250 -7.648 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.800 -7.632 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.063 -8.859 -0.729 1.00 0.00 H new ATOM 960 N ARG A 61 -3.201 -11.823 1.842 1.00 0.00 N ATOM 961 CA ARG A 61 -2.332 -12.529 2.769 1.00 0.00 C ATOM 962 C ARG A 61 -1.050 -12.971 2.062 1.00 0.00 C ATOM 963 O ARG A 61 0.047 -12.779 2.581 1.00 0.00 O ATOM 964 CB ARG A 61 -3.034 -13.756 3.354 1.00 0.00 C ATOM 965 CG ARG A 61 -2.551 -14.036 4.778 1.00 0.00 C ATOM 966 CD ARG A 61 -1.238 -14.823 4.767 1.00 0.00 C ATOM 967 NE ARG A 61 -1.167 -15.705 5.953 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.006 -15.265 7.209 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.899 -13.951 7.450 1.00 0.00 N ATOM 970 NH2 ARG A 61 -0.953 -16.138 8.224 1.00 0.00 N ATOM 0 H ARG A 61 -4.124 -12.240 1.721 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.085 -11.844 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.112 -13.596 3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.842 -14.624 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.411 -13.095 5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.312 -14.598 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.169 -15.418 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.392 -14.135 4.764 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.246 -16.711 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.940 -13.286 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.777 -13.616 8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.035 -17.138 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.830 -15.802 9.179 1.00 0.00 H new ATOM 984 N SER A 62 -1.231 -13.557 0.887 1.00 0.00 N ATOM 985 CA SER A 62 -0.103 -14.029 0.104 1.00 0.00 C ATOM 986 C SER A 62 0.634 -12.842 -0.520 1.00 0.00 C ATOM 987 O SER A 62 1.861 -12.846 -0.608 1.00 0.00 O ATOM 988 CB SER A 62 -0.557 -15.003 -0.985 1.00 0.00 C ATOM 989 OG SER A 62 0.428 -15.996 -1.258 1.00 0.00 O ATOM 0 H SER A 62 -2.143 -13.715 0.459 1.00 0.00 H new ATOM 0 HA SER A 62 0.576 -14.562 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.483 -15.487 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.776 -14.449 -1.898 1.00 0.00 H new ATOM 0 HG SER A 62 0.100 -16.599 -1.957 1.00 0.00 H new ATOM 995 N MET A 63 -0.146 -11.855 -0.935 1.00 0.00 N ATOM 996 CA MET A 63 0.419 -10.664 -1.548 1.00 0.00 C ATOM 997 C MET A 63 1.657 -10.189 -0.786 1.00 0.00 C ATOM 998 O MET A 63 2.610 -9.695 -1.388 1.00 0.00 O ATOM 999 CB MET A 63 -0.631 -9.550 -1.561 1.00 0.00 C ATOM 1000 CG MET A 63 -1.494 -9.625 -2.822 1.00 0.00 C ATOM 1001 SD MET A 63 -1.455 -8.060 -3.681 1.00 0.00 S ATOM 1002 CE MET A 63 0.284 -7.963 -4.069 1.00 0.00 C ATOM 0 H MET A 63 -1.163 -11.855 -0.859 1.00 0.00 H new ATOM 0 HA MET A 63 0.716 -10.909 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.264 -9.632 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.137 -8.579 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.130 -10.417 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.520 -9.878 -2.556 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.457 -7.136 -4.758 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.852 -7.798 -3.154 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.606 -8.896 -4.533 1.00 0.00 H new ATOM 1012 N ASP A 64 1.603 -10.354 0.528 1.00 0.00 N ATOM 1013 CA ASP A 64 2.709 -9.949 1.378 1.00 0.00 C ATOM 1014 C ASP A 64 3.976 -10.694 0.952 1.00 0.00 C ATOM 1015 O ASP A 64 5.053 -10.103 0.878 1.00 0.00 O ATOM 1016 CB ASP A 64 2.431 -10.290 2.844 1.00 0.00 C ATOM 1017 CG ASP A 64 3.137 -9.393 3.863 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.704 -8.227 3.987 1.00 0.00 O ATOM 1019 OD2 ASP A 64 4.093 -9.892 4.493 1.00 0.00 O ATOM 0 H ASP A 64 0.811 -10.762 1.024 1.00 0.00 H new ATOM 0 HA ASP A 64 2.835 -8.871 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.356 -10.234 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.729 -11.323 3.024 1.00 0.00 H new ATOM 1024 N ARG A 65 3.805 -11.979 0.683 1.00 0.00 N ATOM 1025 CA ARG A 65 4.920 -12.811 0.265 1.00 0.00 C ATOM 1026 C ARG A 65 5.383 -12.414 -1.138 1.00 0.00 C ATOM 1027 O ARG A 65 6.583 -12.338 -1.402 1.00 0.00 O ATOM 1028 CB ARG A 65 4.535 -14.292 0.268 1.00 0.00 C ATOM 1029 CG ARG A 65 4.188 -14.766 1.680 1.00 0.00 C ATOM 1030 CD ARG A 65 4.861 -16.105 1.990 1.00 0.00 C ATOM 1031 NE ARG A 65 3.844 -17.176 2.071 1.00 0.00 N ATOM 1032 CZ ARG A 65 4.020 -18.332 2.726 1.00 0.00 C ATOM 1033 NH1 ARG A 65 5.175 -18.572 3.362 1.00 0.00 N ATOM 1034 NH2 ARG A 65 3.041 -19.247 2.746 1.00 0.00 N ATOM 0 H ARG A 65 2.910 -12.465 0.746 1.00 0.00 H new ATOM 0 HA ARG A 65 5.732 -12.657 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.683 -14.451 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.359 -14.886 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.506 -14.018 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.107 -14.867 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.590 -16.343 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.406 -16.038 2.931 1.00 0.00 H new ATOM 0 HE ARG A 65 2.953 -17.025 1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.920 -17.875 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.309 -19.452 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.162 -19.064 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.175 -20.127 3.245 1.00 0.00 H new ATOM 1048 N LYS A 66 4.408 -12.172 -2.001 1.00 0.00 N ATOM 1049 CA LYS A 66 4.699 -11.784 -3.371 1.00 0.00 C ATOM 1050 C LYS A 66 5.412 -10.429 -3.372 1.00 0.00 C ATOM 1051 O LYS A 66 6.298 -10.191 -4.191 1.00 0.00 O ATOM 1052 CB LYS A 66 3.426 -11.809 -4.218 1.00 0.00 C ATOM 1053 CG LYS A 66 3.625 -12.649 -5.482 1.00 0.00 C ATOM 1054 CD LYS A 66 3.791 -14.130 -5.135 1.00 0.00 C ATOM 1055 CE LYS A 66 2.443 -14.769 -4.799 1.00 0.00 C ATOM 1056 NZ LYS A 66 2.639 -16.105 -4.193 1.00 0.00 N ATOM 0 H LYS A 66 3.415 -12.237 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 66 5.376 -12.502 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.603 -12.217 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.148 -10.792 -4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.770 -12.521 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.504 -12.297 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.247 -14.655 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.468 -14.235 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.892 -14.128 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.841 -14.858 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.714 -16.525 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.146 -16.719 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.195 -16.012 -3.319 1.00 0.00 H new ATOM 1070 N SER A 67 4.998 -9.578 -2.445 1.00 0.00 N ATOM 1071 CA SER A 67 5.585 -8.255 -2.329 1.00 0.00 C ATOM 1072 C SER A 67 6.395 -8.153 -1.035 1.00 0.00 C ATOM 1073 O SER A 67 6.432 -7.098 -0.402 1.00 0.00 O ATOM 1074 CB SER A 67 4.509 -7.168 -2.367 1.00 0.00 C ATOM 1075 OG SER A 67 4.914 -6.041 -3.138 1.00 0.00 O ATOM 0 H SER A 67 4.263 -9.779 -1.767 1.00 0.00 H new ATOM 0 HA SER A 67 6.249 -8.101 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.591 -7.582 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.281 -6.848 -1.350 1.00 0.00 H new ATOM 0 HG SER A 67 4.943 -6.287 -4.086 1.00 0.00 H new ATOM 1081 N ASN A 68 7.025 -9.263 -0.680 1.00 0.00 N ATOM 1082 CA ASN A 68 7.833 -9.313 0.527 1.00 0.00 C ATOM 1083 C ASN A 68 9.079 -8.446 0.338 1.00 0.00 C ATOM 1084 O ASN A 68 9.362 -7.573 1.157 1.00 0.00 O ATOM 1085 CB ASN A 68 8.290 -10.741 0.826 1.00 0.00 C ATOM 1086 CG ASN A 68 7.721 -11.233 2.158 1.00 0.00 C ATOM 1087 OD1 ASN A 68 8.579 -11.946 2.882 1.00 0.00 O flip ATOM 1088 ND2 ASN A 68 6.579 -10.981 2.506 1.00 0.00 N flip ATOM 0 H ASN A 68 6.992 -10.135 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 68 7.224 -8.950 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.970 -11.405 0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.379 -10.779 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.972 -10.427 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.231 -11.324 3.402 1.00 0.00 H new ATOM 1095 N THR A 69 9.790 -8.718 -0.746 1.00 0.00 N ATOM 1096 CA THR A 69 11.000 -7.974 -1.054 1.00 0.00 C ATOM 1097 C THR A 69 10.791 -7.105 -2.296 1.00 0.00 C ATOM 1098 O THR A 69 11.519 -7.234 -3.278 1.00 0.00 O ATOM 1099 CB THR A 69 12.147 -8.976 -1.199 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.251 -9.575 0.089 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.500 -8.291 -1.402 1.00 0.00 C ATOM 0 H THR A 69 9.552 -9.443 -1.422 1.00 0.00 H new ATOM 0 HA THR A 69 11.254 -7.282 -0.251 1.00 0.00 H new ATOM 0 HB THR A 69 11.945 -9.639 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.971 -10.240 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.279 -9.047 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.468 -7.684 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.717 -7.654 -0.545 1.00 0.00 H new ATOM 1109 N ARG A 70 9.792 -6.238 -2.210 1.00 0.00 N ATOM 1110 CA ARG A 70 9.477 -5.349 -3.316 1.00 0.00 C ATOM 1111 C ARG A 70 8.532 -4.239 -2.851 1.00 0.00 C ATOM 1112 O ARG A 70 8.702 -3.079 -3.222 1.00 0.00 O ATOM 1113 CB ARG A 70 8.827 -6.112 -4.470 1.00 0.00 C ATOM 1114 CG ARG A 70 8.837 -5.280 -5.753 1.00 0.00 C ATOM 1115 CD ARG A 70 9.872 -5.815 -6.747 1.00 0.00 C ATOM 1116 NE ARG A 70 11.238 -5.498 -6.274 1.00 0.00 N ATOM 1117 CZ ARG A 70 12.312 -5.428 -7.073 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.183 -5.650 -8.388 1.00 0.00 N ATOM 1119 NH2 ARG A 70 13.513 -5.134 -6.557 1.00 0.00 N ATOM 0 H ARG A 70 9.191 -6.132 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 70 10.412 -4.913 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.359 -7.049 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.801 -6.370 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.847 -5.297 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.060 -4.240 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.758 -6.893 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.707 -5.374 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 70 11.370 -5.322 -5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.268 -5.872 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.000 -5.597 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.610 -4.963 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.330 -5.081 -7.165 1.00 0.00 H new ATOM 1133 N ASN A 71 7.558 -4.635 -2.044 1.00 0.00 N ATOM 1134 CA ASN A 71 6.585 -3.688 -1.525 1.00 0.00 C ATOM 1135 C ASN A 71 7.318 -2.472 -0.955 1.00 0.00 C ATOM 1136 O ASN A 71 7.138 -1.353 -1.435 1.00 0.00 O ATOM 1137 CB ASN A 71 5.756 -4.311 -0.400 1.00 0.00 C ATOM 1138 CG ASN A 71 4.690 -3.335 0.100 1.00 0.00 C ATOM 1139 OD1 ASN A 71 5.163 -2.376 0.891 1.00 0.00 O flip ATOM 1140 ND2 ASN A 71 3.515 -3.446 -0.211 1.00 0.00 N flip ATOM 0 H ASN A 71 7.422 -5.598 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 71 5.924 -3.401 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.279 -5.224 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.410 -4.594 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.219 -4.207 -0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.829 -2.778 0.141 1.00 0.00 H new ATOM 1147 N ASN A 72 8.128 -2.732 0.060 1.00 0.00 N ATOM 1148 CA ASN A 72 8.889 -1.672 0.701 1.00 0.00 C ATOM 1149 C ASN A 72 9.830 -1.034 -0.324 1.00 0.00 C ATOM 1150 O ASN A 72 9.808 0.180 -0.521 1.00 0.00 O ATOM 1151 CB ASN A 72 9.742 -2.221 1.846 1.00 0.00 C ATOM 1152 CG ASN A 72 9.763 -1.250 3.027 1.00 0.00 C ATOM 1153 OD1 ASN A 72 9.698 -0.041 2.872 1.00 0.00 O ATOM 1154 ND2 ASN A 72 9.859 -1.844 4.214 1.00 0.00 N ATOM 0 H ASN A 72 8.274 -3.661 0.455 1.00 0.00 H new ATOM 0 HA ASN A 72 8.183 -0.941 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.347 -3.184 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.759 -2.395 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.882 -1.282 5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.910 -2.861 4.273 1.00 0.00 H new ATOM 1161 N MET A 73 10.632 -1.881 -0.952 1.00 0.00 N ATOM 1162 CA MET A 73 11.578 -1.415 -1.951 1.00 0.00 C ATOM 1163 C MET A 73 12.430 -0.268 -1.407 1.00 0.00 C ATOM 1164 O MET A 73 12.138 0.901 -1.658 1.00 0.00 O ATOM 1165 CB MET A 73 10.819 -0.945 -3.192 1.00 0.00 C ATOM 1166 CG MET A 73 11.347 -1.632 -4.453 1.00 0.00 C ATOM 1167 SD MET A 73 13.128 -1.542 -4.497 1.00 0.00 S ATOM 1168 CE MET A 73 13.347 0.227 -4.584 1.00 0.00 C ATOM 0 H MET A 73 10.646 -2.888 -0.788 1.00 0.00 H new ATOM 0 HA MET A 73 12.240 -2.241 -2.211 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.757 -1.159 -3.075 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.917 0.136 -3.295 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.027 -2.674 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.929 -1.155 -5.339 1.00 0.00 H new ATOM 0 HE1 MET A 73 14.015 0.471 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.381 0.706 -4.745 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.779 0.587 -3.650 1.00 0.00 H new ATOM 1178 N ILE A 74 13.467 -0.639 -0.670 1.00 0.00 N ATOM 1179 CA ILE A 74 14.363 0.345 -0.088 1.00 0.00 C ATOM 1180 C ILE A 74 15.811 -0.048 -0.390 1.00 0.00 C ATOM 1181 O ILE A 74 16.104 -1.220 -0.624 1.00 0.00 O ATOM 1182 CB ILE A 74 14.072 0.520 1.403 1.00 0.00 C ATOM 1183 CG1 ILE A 74 14.551 -0.695 2.201 1.00 0.00 C ATOM 1184 CG2 ILE A 74 12.590 0.813 1.642 1.00 0.00 C ATOM 1185 CD1 ILE A 74 13.729 -1.938 1.854 1.00 0.00 C ATOM 0 H ILE A 74 13.706 -1.609 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 74 14.197 1.324 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 74 14.633 1.383 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.604 -0.881 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.471 -0.488 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 74 12.411 0.933 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 74 12.312 1.730 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.990 -0.015 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.090 -2.787 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.680 -1.758 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.831 -2.156 0.791 1.00 0.00 H new ATOM 1197 N GLN A 75 16.677 0.954 -0.376 1.00 0.00 N ATOM 1198 CA GLN A 75 18.087 0.728 -0.646 1.00 0.00 C ATOM 1199 C GLN A 75 18.937 1.799 0.041 1.00 0.00 C ATOM 1200 O GLN A 75 19.456 2.700 -0.616 1.00 0.00 O ATOM 1201 CB GLN A 75 18.360 0.694 -2.150 1.00 0.00 C ATOM 1202 CG GLN A 75 18.177 -0.719 -2.709 1.00 0.00 C ATOM 1203 CD GLN A 75 19.383 -1.135 -3.553 1.00 0.00 C ATOM 1204 OE1 GLN A 75 20.528 -1.029 -3.142 1.00 0.00 O ATOM 1205 NE2 GLN A 75 19.066 -1.613 -4.753 1.00 0.00 N ATOM 0 H GLN A 75 16.430 1.924 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 75 18.363 -0.245 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.686 1.381 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 75 19.375 1.038 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 75 18.042 -1.424 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 75 17.272 -0.760 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.088 -1.675 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 75 19.801 -1.918 -5.391 1.00 0.00 H new ATOM 1214 N THR A 76 19.055 1.664 1.354 1.00 0.00 N ATOM 1215 CA THR A 76 19.833 2.609 2.137 1.00 0.00 C ATOM 1216 C THR A 76 20.386 1.933 3.392 1.00 0.00 C ATOM 1217 O THR A 76 19.831 2.085 4.480 1.00 0.00 O ATOM 1218 CB THR A 76 18.946 3.818 2.438 1.00 0.00 C ATOM 1219 OG1 THR A 76 19.762 4.654 3.253 1.00 0.00 O ATOM 1220 CG2 THR A 76 17.759 3.463 3.338 1.00 0.00 C ATOM 0 H THR A 76 18.625 0.914 1.895 1.00 0.00 H new ATOM 0 HA THR A 76 20.705 2.958 1.583 1.00 0.00 H new ATOM 0 HB THR A 76 18.579 4.241 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.264 5.463 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 76 17.161 4.356 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 17.144 2.709 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.126 3.071 4.287 1.00 0.00 H new ATOM 1228 N LYS A 77 21.473 1.201 3.202 1.00 0.00 N ATOM 1229 CA LYS A 77 22.108 0.500 4.306 1.00 0.00 C ATOM 1230 C LYS A 77 22.116 1.404 5.540 1.00 0.00 C ATOM 1231 O LYS A 77 22.011 2.624 5.421 1.00 0.00 O ATOM 1232 CB LYS A 77 23.497 0.004 3.898 1.00 0.00 C ATOM 1233 CG LYS A 77 24.531 1.127 3.996 1.00 0.00 C ATOM 1234 CD LYS A 77 25.574 1.010 2.883 1.00 0.00 C ATOM 1235 CE LYS A 77 26.720 0.086 3.301 1.00 0.00 C ATOM 1236 NZ LYS A 77 28.012 0.604 2.800 1.00 0.00 N ATOM 0 H LYS A 77 21.931 1.078 2.299 1.00 0.00 H new ATOM 0 HA LYS A 77 21.540 -0.393 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.794 -0.825 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.465 -0.378 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 77 24.031 2.093 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 77 25.024 1.088 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.104 0.626 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.967 1.998 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.751 0.004 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.547 -0.917 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.779 -0.035 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.985 0.660 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.182 1.552 3.193 1.00 0.00 H new ATOM 1250 N PRO A 78 22.244 0.755 6.728 1.00 0.00 N ATOM 1251 CA PRO A 78 22.266 1.486 7.983 1.00 0.00 C ATOM 1252 C PRO A 78 23.610 2.190 8.184 1.00 0.00 C ATOM 1253 O PRO A 78 24.609 1.813 7.572 1.00 0.00 O ATOM 1254 CB PRO A 78 21.975 0.445 9.051 1.00 0.00 C ATOM 1255 CG PRO A 78 22.261 -0.902 8.407 1.00 0.00 C ATOM 1256 CD PRO A 78 22.369 -0.689 6.907 1.00 0.00 C ATOM 0 HA PRO A 78 21.527 2.287 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.603 0.600 9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 78 20.939 0.507 9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 78 23.186 -1.324 8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 78 21.465 -1.611 8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 78 23.321 -1.055 6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 78 21.583 -1.224 6.373 1.00 0.00 H new ATOM 1264 N THR A 79 23.592 3.199 9.042 1.00 0.00 N ATOM 1265 CA THR A 79 24.796 3.958 9.330 1.00 0.00 C ATOM 1266 C THR A 79 25.111 3.911 10.827 1.00 0.00 C ATOM 1267 O THR A 79 24.258 3.539 11.632 1.00 0.00 O ATOM 1268 CB THR A 79 24.600 5.378 8.795 1.00 0.00 C ATOM 1269 OG1 THR A 79 23.857 5.196 7.593 1.00 0.00 O ATOM 1270 CG2 THR A 79 25.911 6.014 8.330 1.00 0.00 C ATOM 0 H THR A 79 22.762 3.509 9.547 1.00 0.00 H new ATOM 0 HA THR A 79 25.664 3.525 8.833 1.00 0.00 H new ATOM 0 HB THR A 79 24.150 5.999 9.569 1.00 0.00 H new ATOM 0 HG1 THR A 79 23.684 6.068 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.716 7.020 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 79 26.608 6.064 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 79 26.345 5.412 7.532 1.00 0.00 H new ATOM 1278 N GLY A 80 26.336 4.292 11.154 1.00 0.00 N ATOM 1279 CA GLY A 80 26.774 4.298 12.540 1.00 0.00 C ATOM 1280 C GLY A 80 28.232 4.748 12.652 1.00 0.00 C ATOM 1281 O GLY A 80 29.148 3.946 12.474 1.00 0.00 O ATOM 0 H GLY A 80 27.040 4.599 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.138 4.964 13.123 1.00 0.00 H new ATOM 0 HA3 GLY A 80 26.664 3.300 12.964 1.00 0.00 H new ATOM 1285 N THR A 81 28.402 6.028 12.947 1.00 0.00 N ATOM 1286 CA THR A 81 29.733 6.594 13.085 1.00 0.00 C ATOM 1287 C THR A 81 30.138 6.652 14.560 1.00 0.00 C ATOM 1288 O THR A 81 29.342 6.324 15.438 1.00 0.00 O ATOM 1289 CB THR A 81 29.739 7.962 12.400 1.00 0.00 C ATOM 1290 OG1 THR A 81 29.248 7.695 11.089 1.00 0.00 O ATOM 1291 CG2 THR A 81 31.154 8.494 12.167 1.00 0.00 C ATOM 0 H THR A 81 27.640 6.690 13.094 1.00 0.00 H new ATOM 0 HA THR A 81 30.481 5.967 12.599 1.00 0.00 H new ATOM 0 HB THR A 81 29.179 8.674 13.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 29.217 8.529 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 81 31.101 9.467 11.678 1.00 0.00 H new ATOM 0 HG22 THR A 81 31.667 8.596 13.124 1.00 0.00 H new ATOM 0 HG23 THR A 81 31.704 7.799 11.533 1.00 0.00 H new ATOM 1299 N GLN A 82 31.374 7.071 14.786 1.00 0.00 N ATOM 1300 CA GLN A 82 31.894 7.176 16.139 1.00 0.00 C ATOM 1301 C GLN A 82 33.023 8.205 16.195 1.00 0.00 C ATOM 1302 O GLN A 82 33.520 8.644 15.158 1.00 0.00 O ATOM 1303 CB GLN A 82 32.366 5.814 16.651 1.00 0.00 C ATOM 1304 CG GLN A 82 31.674 5.454 17.968 1.00 0.00 C ATOM 1305 CD GLN A 82 32.277 4.185 18.575 1.00 0.00 C ATOM 1306 OE1 GLN A 82 32.506 3.193 17.903 1.00 0.00 O ATOM 1307 NE2 GLN A 82 32.519 4.272 19.879 1.00 0.00 N ATOM 0 H GLN A 82 32.031 7.342 14.055 1.00 0.00 H new ATOM 0 HA GLN A 82 31.089 7.514 16.792 1.00 0.00 H new ATOM 0 HB2 GLN A 82 32.156 5.048 15.904 1.00 0.00 H new ATOM 0 HB3 GLN A 82 33.446 5.830 16.796 1.00 0.00 H new ATOM 0 HG2 GLN A 82 31.772 6.280 18.672 1.00 0.00 H new ATOM 0 HG3 GLN A 82 30.608 5.307 17.795 1.00 0.00 H new ATOM 0 HE21 GLN A 82 32.303 5.133 20.381 1.00 0.00 H new ATOM 0 HE22 GLN A 82 32.921 3.478 20.377 1.00 0.00 H new ATOM 1316 N GLN A 83 33.397 8.560 17.415 1.00 0.00 N ATOM 1317 CA GLN A 83 34.460 9.530 17.620 1.00 0.00 C ATOM 1318 C GLN A 83 35.800 8.816 17.810 1.00 0.00 C ATOM 1319 O GLN A 83 35.840 7.671 18.258 1.00 0.00 O ATOM 1320 CB GLN A 83 34.150 10.441 18.810 1.00 0.00 C ATOM 1321 CG GLN A 83 35.001 11.711 18.764 1.00 0.00 C ATOM 1322 CD GLN A 83 36.132 11.650 19.792 1.00 0.00 C ATOM 1323 OE1 GLN A 83 36.207 10.757 20.620 1.00 0.00 O ATOM 1324 NE2 GLN A 83 37.007 12.647 19.693 1.00 0.00 N ATOM 0 H GLN A 83 32.983 8.193 18.272 1.00 0.00 H new ATOM 0 HA GLN A 83 34.528 10.159 16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 83 33.093 10.707 18.803 1.00 0.00 H new ATOM 0 HB3 GLN A 83 34.338 9.906 19.741 1.00 0.00 H new ATOM 0 HG2 GLN A 83 35.419 11.837 17.765 1.00 0.00 H new ATOM 0 HG3 GLN A 83 34.374 12.581 18.959 1.00 0.00 H new ATOM 0 HE21 GLN A 83 36.886 13.363 18.977 1.00 0.00 H new ATOM 0 HE22 GLN A 83 37.799 12.696 20.334 1.00 0.00 H new ATOM 1333 N SER A 84 36.865 9.523 17.462 1.00 0.00 N ATOM 1334 CA SER A 84 38.204 8.972 17.590 1.00 0.00 C ATOM 1335 C SER A 84 39.154 10.029 18.156 1.00 0.00 C ATOM 1336 O SER A 84 38.834 11.217 18.160 1.00 0.00 O ATOM 1337 CB SER A 84 38.720 8.462 16.242 1.00 0.00 C ATOM 1338 OG SER A 84 39.994 7.836 16.361 1.00 0.00 O ATOM 0 H SER A 84 36.828 10.473 17.091 1.00 0.00 H new ATOM 0 HA SER A 84 38.162 8.127 18.277 1.00 0.00 H new ATOM 0 HB2 SER A 84 38.005 7.753 15.825 1.00 0.00 H new ATOM 0 HB3 SER A 84 38.789 9.294 15.542 1.00 0.00 H new ATOM 0 HG SER A 84 40.288 7.523 15.480 1.00 0.00 H new ATOM 1344 N THR A 85 40.301 9.558 18.621 1.00 0.00 N ATOM 1345 CA THR A 85 41.300 10.448 19.189 1.00 0.00 C ATOM 1346 C THR A 85 41.922 11.320 18.094 1.00 0.00 C ATOM 1347 O THR A 85 41.370 11.438 17.002 1.00 0.00 O ATOM 1348 CB THR A 85 42.323 9.594 19.939 1.00 0.00 C ATOM 1349 OG1 THR A 85 43.009 10.525 20.773 1.00 0.00 O ATOM 1350 CG2 THR A 85 43.415 9.044 19.019 1.00 0.00 C ATOM 0 H THR A 85 40.561 8.572 18.616 1.00 0.00 H new ATOM 0 HA THR A 85 40.852 11.143 19.900 1.00 0.00 H new ATOM 0 HB THR A 85 41.812 8.766 20.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 43.974 10.455 20.617 1.00 0.00 H new ATOM 0 HG21 THR A 85 44.115 8.445 19.602 1.00 0.00 H new ATOM 0 HG22 THR A 85 42.961 8.423 18.247 1.00 0.00 H new ATOM 0 HG23 THR A 85 43.948 9.872 18.552 1.00 0.00 H new ATOM 1358 N ASN A 86 43.062 11.907 18.427 1.00 0.00 N ATOM 1359 CA ASN A 86 43.764 12.764 17.486 1.00 0.00 C ATOM 1360 C ASN A 86 45.223 12.910 17.927 1.00 0.00 C ATOM 1361 O ASN A 86 45.528 12.813 19.115 1.00 0.00 O ATOM 1362 CB ASN A 86 43.142 14.160 17.442 1.00 0.00 C ATOM 1363 CG ASN A 86 42.497 14.430 16.081 1.00 0.00 C ATOM 1364 OD1 ASN A 86 42.964 15.514 15.467 1.00 0.00 O flip ATOM 1365 ND2 ASN A 86 41.633 13.703 15.620 1.00 0.00 N flip ATOM 0 H ASN A 86 43.517 11.806 19.334 1.00 0.00 H new ATOM 0 HA ASN A 86 43.695 12.308 16.498 1.00 0.00 H new ATOM 0 HB2 ASN A 86 42.393 14.253 18.228 1.00 0.00 H new ATOM 0 HB3 ASN A 86 43.908 14.910 17.641 1.00 0.00 H new ATOM 0 HD21 ASN A 86 41.320 12.886 16.145 1.00 0.00 H new ATOM 0 HD22 ASN A 86 41.223 13.912 14.710 1.00 0.00 H new ATOM 1372 N THR A 87 46.083 13.141 16.947 1.00 0.00 N ATOM 1373 CA THR A 87 47.502 13.301 17.219 1.00 0.00 C ATOM 1374 C THR A 87 48.094 14.399 16.333 1.00 0.00 C ATOM 1375 O THR A 87 47.375 15.033 15.562 1.00 0.00 O ATOM 1376 CB THR A 87 48.175 11.941 17.034 1.00 0.00 C ATOM 1377 OG1 THR A 87 47.761 11.521 15.736 1.00 0.00 O ATOM 1378 CG2 THR A 87 47.606 10.872 17.969 1.00 0.00 C ATOM 0 H THR A 87 45.825 13.221 15.963 1.00 0.00 H new ATOM 0 HA THR A 87 47.674 13.627 18.245 1.00 0.00 H new ATOM 0 HB THR A 87 49.246 12.042 17.207 1.00 0.00 H new ATOM 0 HG1 THR A 87 48.154 10.646 15.534 1.00 0.00 H new ATOM 0 HG21 THR A 87 48.119 9.926 17.796 1.00 0.00 H new ATOM 0 HG22 THR A 87 47.752 11.179 19.005 1.00 0.00 H new ATOM 0 HG23 THR A 87 46.541 10.748 17.774 1.00 0.00 H new ATOM 1386 N ALA A 88 49.397 14.589 16.472 1.00 0.00 N ATOM 1387 CA ALA A 88 50.093 15.599 15.694 1.00 0.00 C ATOM 1388 C ALA A 88 51.602 15.355 15.785 1.00 0.00 C ATOM 1389 O ALA A 88 52.328 16.150 16.380 1.00 0.00 O ATOM 1390 CB ALA A 88 49.697 16.991 16.191 1.00 0.00 C ATOM 0 H ALA A 88 49.990 14.060 17.112 1.00 0.00 H new ATOM 0 HA ALA A 88 49.810 15.536 14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 88 50.220 17.748 15.607 1.00 0.00 H new ATOM 0 HB2 ALA A 88 48.621 17.125 16.079 1.00 0.00 H new ATOM 0 HB3 ALA A 88 49.968 17.093 17.242 1.00 0.00 H new ATOM 1396 N VAL A 89 52.028 14.254 15.183 1.00 0.00 N ATOM 1397 CA VAL A 89 53.437 13.896 15.188 1.00 0.00 C ATOM 1398 C VAL A 89 53.794 13.232 13.858 1.00 0.00 C ATOM 1399 O VAL A 89 53.416 12.088 13.609 1.00 0.00 O ATOM 1400 CB VAL A 89 53.748 13.014 16.400 1.00 0.00 C ATOM 1401 CG1 VAL A 89 53.016 11.674 16.304 1.00 0.00 C ATOM 1402 CG2 VAL A 89 55.256 12.806 16.553 1.00 0.00 C ATOM 0 H VAL A 89 51.423 13.598 14.689 1.00 0.00 H new ATOM 0 HA VAL A 89 54.058 14.787 15.283 1.00 0.00 H new ATOM 0 HB VAL A 89 53.389 13.529 17.291 1.00 0.00 H new ATOM 0 HG11 VAL A 89 53.254 11.066 17.177 1.00 0.00 H new ATOM 0 HG12 VAL A 89 51.941 11.849 16.265 1.00 0.00 H new ATOM 0 HG13 VAL A 89 53.331 11.151 15.401 1.00 0.00 H new ATOM 0 HG21 VAL A 89 55.450 12.176 17.421 1.00 0.00 H new ATOM 0 HG22 VAL A 89 55.649 12.323 15.659 1.00 0.00 H new ATOM 0 HG23 VAL A 89 55.745 13.771 16.688 1.00 0.00 H new ATOM 1412 N THR A 90 54.519 13.978 13.036 1.00 0.00 N ATOM 1413 CA THR A 90 54.932 13.476 11.737 1.00 0.00 C ATOM 1414 C THR A 90 56.127 12.532 11.885 1.00 0.00 C ATOM 1415 O THR A 90 56.868 12.611 12.864 1.00 0.00 O ATOM 1416 CB THR A 90 55.214 14.678 10.833 1.00 0.00 C ATOM 1417 OG1 THR A 90 55.598 14.095 9.591 1.00 0.00 O ATOM 1418 CG2 THR A 90 56.450 15.464 11.275 1.00 0.00 C ATOM 0 H THR A 90 54.831 14.926 13.245 1.00 0.00 H new ATOM 0 HA THR A 90 54.144 12.881 11.274 1.00 0.00 H new ATOM 0 HB THR A 90 54.347 15.339 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 90 55.798 14.804 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 90 56.606 16.306 10.601 1.00 0.00 H new ATOM 0 HG22 THR A 90 56.302 15.834 12.290 1.00 0.00 H new ATOM 0 HG23 THR A 90 57.324 14.813 11.250 1.00 0.00 H new ATOM 1426 N LEU A 91 56.279 11.661 10.899 1.00 0.00 N ATOM 1427 CA LEU A 91 57.371 10.703 10.907 1.00 0.00 C ATOM 1428 C LEU A 91 58.645 11.394 11.399 1.00 0.00 C ATOM 1429 O LEU A 91 58.742 12.620 11.367 1.00 0.00 O ATOM 1430 CB LEU A 91 57.518 10.047 9.533 1.00 0.00 C ATOM 1431 CG LEU A 91 58.448 10.758 8.546 1.00 0.00 C ATOM 1432 CD1 LEU A 91 59.615 9.854 8.145 1.00 0.00 C ATOM 1433 CD2 LEU A 91 57.672 11.267 7.330 1.00 0.00 C ATOM 0 H LEU A 91 55.663 11.599 10.088 1.00 0.00 H new ATOM 0 HA LEU A 91 57.160 9.890 11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 91 57.881 9.029 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 91 56.529 9.972 9.080 1.00 0.00 H new ATOM 0 HG LEU A 91 58.872 11.630 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 91 60.260 10.383 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 91 60.188 9.584 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 59.230 8.950 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 91 58.356 11.768 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 91 57.200 10.426 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 91 56.906 11.970 7.656 1.00 0.00 H new ATOM 1445 N THR A 92 59.589 10.577 11.843 1.00 0.00 N ATOM 1446 CA THR A 92 60.852 11.094 12.340 1.00 0.00 C ATOM 1447 C THR A 92 61.627 11.783 11.216 1.00 0.00 C ATOM 1448 O THR A 92 61.226 11.725 10.054 1.00 0.00 O ATOM 1449 CB THR A 92 61.617 9.935 12.983 1.00 0.00 C ATOM 1450 OG1 THR A 92 61.897 9.057 11.896 1.00 0.00 O ATOM 1451 CG2 THR A 92 60.738 9.100 13.918 1.00 0.00 C ATOM 0 H THR A 92 59.504 9.561 11.869 1.00 0.00 H new ATOM 0 HA THR A 92 60.694 11.860 13.099 1.00 0.00 H new ATOM 0 HB THR A 92 62.469 10.327 13.538 1.00 0.00 H new ATOM 0 HG1 THR A 92 62.393 8.278 12.224 1.00 0.00 H new ATOM 0 HG21 THR A 92 61.329 8.291 14.348 1.00 0.00 H new ATOM 0 HG22 THR A 92 60.354 9.733 14.718 1.00 0.00 H new ATOM 0 HG23 THR A 92 59.904 8.680 13.355 1.00 0.00 H new ATOM 1459 N GLY A 93 62.724 12.418 11.599 1.00 0.00 N ATOM 1460 CA GLY A 93 63.560 13.117 10.637 1.00 0.00 C ATOM 1461 C GLY A 93 63.094 14.564 10.456 1.00 0.00 C ATOM 1462 O GLY A 93 63.891 15.494 10.564 1.00 0.00 O ATOM 0 H GLY A 93 63.054 12.464 12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 93 64.597 13.104 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 93 63.530 12.599 9.679 1.00 0.00 H new TER 1466 GLY A 93