USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 917 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 74 CYS SG : rot -58:sc= 0.298 USER MOD Set 1.2: A 78 THR OG1 : rot -36:sc= 2.18 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -160:sc= 0.00232 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.392 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 53 HIS : no HD1:sc= 0.337 K(o=0.34,f=-1.8!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.116) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0382) USER MOD Single : A 63 ASN : amide:sc= 0.288 K(o=0.29,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.03) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.747) USER MOD Single : A 76 MET CE :methyl -123:sc= -1.88 (180deg=-5.56!) USER MOD Single : A 77 GLN : amide:sc= -3.89! C(o=-3.9!,f=-4.5!) USER MOD Single : A 81 HIS : no HE2:sc= 0.569 K(o=0.57,f=-7!) USER MOD Single : A 89 TYR OH : rot 42:sc= 1.12 USER MOD Single : A 90 ASN : amide:sc= -0.489! X(o=-0.49!,f=-0.038) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 93 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.049) USER MOD Single : A 96 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-3.9!) USER MOD Single : A 97 SER OG : rot -31:sc= 0.439 USER MOD Single : A 102 SER OG : rot -92:sc= 1.2 USER MOD Single : A 106 CYS SG : rot 156:sc= 0.0254 USER MOD Single : A 107 ASN : amide:sc=-0.00416 K(o=-0.0042,f=-0.76) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -10.1! C(o=-10!,f=-9.6!) USER MOD Single : A 131 CYS SG : rot 137:sc= -1.99! USER MOD Single : A 132 THR OG1 : rot 75:sc= 0.805 USER MOD Single : A 135 LYS NZ :NH3+ 161:sc= 0.234 (180deg=-0.569) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 86:sc= -1.66 USER MOD Single : A 140 LYS NZ :NH3+ 162:sc= 0.46 (180deg=-0.189) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.714 K(o=-0.71,f=0) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : B 27 SER OG : rot -17:sc= 0.397 USER MOD Single : B 29 SER OG : rot 57:sc= 1.29 USER MOD Single : B 33 GLN : amide:sc= 0.701 K(o=0.7,f=-0.017) USER MOD Single : B 34 TYR OH : rot 1:sc= 1.24 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -19.307 0.437 8.983 1.00 10.57 N ATOM 2 CA GLY A 51 -19.995 1.738 8.794 1.00 9.93 C ATOM 3 C GLY A 51 -21.134 1.640 7.798 1.00 9.27 C ATOM 4 O GLY A 51 -21.217 2.433 6.863 1.00 9.29 O ATOM 0 HA2 GLY A 51 -20.381 2.087 9.752 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -19.276 2.482 8.450 1.00 9.93 H new ATOM 10 N SER A 52 -22.019 0.671 8.002 1.00 8.95 N ATOM 11 CA SER A 52 -23.127 0.433 7.086 1.00 8.59 C ATOM 12 C SER A 52 -24.224 1.480 7.269 1.00 7.80 C ATOM 13 O SER A 52 -24.704 2.069 6.301 1.00 7.91 O ATOM 14 CB SER A 52 -23.683 -0.970 7.320 1.00 9.23 C ATOM 15 OG SER A 52 -23.887 -1.191 8.705 1.00 9.51 O ATOM 0 H SER A 52 -21.990 0.034 8.798 1.00 8.95 H new ATOM 0 HA SER A 52 -22.761 0.512 6.062 1.00 8.59 H new ATOM 0 HB2 SER A 52 -24.624 -1.091 6.783 1.00 9.23 H new ATOM 0 HB3 SER A 52 -22.992 -1.714 6.924 1.00 9.23 H new ATOM 0 HG SER A 52 -24.245 -2.093 8.843 1.00 9.51 H new ATOM 21 N HIS A 53 -24.597 1.723 8.520 1.00 7.28 N ATOM 22 CA HIS A 53 -25.658 2.674 8.841 1.00 6.80 C ATOM 23 C HIS A 53 -25.188 4.111 8.623 1.00 5.91 C ATOM 24 O HIS A 53 -25.993 5.041 8.576 1.00 6.03 O ATOM 25 CB HIS A 53 -26.122 2.480 10.289 1.00 7.25 C ATOM 26 CG HIS A 53 -25.035 2.663 11.305 1.00 7.97 C ATOM 27 ND1 HIS A 53 -24.077 1.698 11.516 1.00 8.46 N ATOM 28 CD2 HIS A 53 -24.795 3.710 12.133 1.00 8.53 C ATOM 29 CE1 HIS A 53 -23.283 2.176 12.459 1.00 9.23 C ATOM 30 NE2 HIS A 53 -23.680 3.391 12.862 1.00 9.30 N ATOM 0 H HIS A 53 -24.178 1.272 9.334 1.00 7.28 H new ATOM 0 HA HIS A 53 -26.498 2.487 8.172 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -26.926 3.185 10.500 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -26.540 1.479 10.395 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -25.372 4.620 12.204 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -22.424 1.654 12.854 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -23.236 3.969 13.576 1.00 9.30 H new ATOM 38 N MET A 54 -23.880 4.279 8.487 1.00 5.30 N ATOM 39 CA MET A 54 -23.293 5.587 8.229 1.00 4.57 C ATOM 40 C MET A 54 -23.530 5.990 6.777 1.00 4.14 C ATOM 41 O MET A 54 -23.464 7.169 6.419 1.00 4.31 O ATOM 42 CB MET A 54 -21.790 5.556 8.533 1.00 4.58 C ATOM 43 CG MET A 54 -21.074 6.875 8.279 1.00 4.17 C ATOM 44 SD MET A 54 -21.710 8.221 9.292 1.00 4.68 S ATOM 45 CE MET A 54 -20.659 9.572 8.756 1.00 5.36 C ATOM 0 H MET A 54 -23.201 3.520 8.552 1.00 5.30 H new ATOM 0 HA MET A 54 -23.768 6.323 8.878 1.00 4.57 H new ATOM 0 HB2 MET A 54 -21.648 5.273 9.576 1.00 4.58 H new ATOM 0 HB3 MET A 54 -21.324 4.780 7.926 1.00 4.58 H new ATOM 0 HG2 MET A 54 -20.010 6.749 8.477 1.00 4.17 H new ATOM 0 HG3 MET A 54 -21.173 7.140 7.226 1.00 4.17 H new ATOM 0 HE1 MET A 54 -20.931 10.480 9.295 1.00 5.36 H new ATOM 0 HE2 MET A 54 -19.617 9.326 8.961 1.00 5.36 H new ATOM 0 HE3 MET A 54 -20.790 9.732 7.686 1.00 5.36 H new ATOM 55 N GLY A 55 -23.835 5.000 5.955 1.00 4.00 N ATOM 56 CA GLY A 55 -24.023 5.231 4.542 1.00 3.88 C ATOM 57 C GLY A 55 -22.852 4.706 3.747 1.00 3.32 C ATOM 58 O GLY A 55 -21.800 4.412 4.319 1.00 3.61 O ATOM 0 H GLY A 55 -23.957 4.030 6.247 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -24.940 4.745 4.209 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -24.143 6.299 4.357 1.00 3.88 H new ATOM 62 N LYS A 56 -23.024 4.573 2.442 1.00 2.94 N ATOM 63 CA LYS A 56 -21.958 4.109 1.588 1.00 2.69 C ATOM 64 C LYS A 56 -20.804 5.087 1.557 1.00 2.34 C ATOM 65 O LYS A 56 -20.932 6.230 1.106 1.00 2.48 O ATOM 66 CB LYS A 56 -22.475 3.840 0.188 1.00 2.93 C ATOM 67 CG LYS A 56 -23.154 2.497 0.084 1.00 3.20 C ATOM 68 CD LYS A 56 -23.335 2.073 -1.365 1.00 3.88 C ATOM 69 CE LYS A 56 -23.972 0.696 -1.476 1.00 4.35 C ATOM 70 NZ LYS A 56 -25.342 0.666 -0.895 1.00 4.58 N ATOM 0 H LYS A 56 -23.896 4.782 1.956 1.00 2.94 H new ATOM 0 HA LYS A 56 -21.583 3.174 2.004 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -23.177 4.624 -0.096 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -21.646 3.883 -0.519 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -22.564 1.748 0.612 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -24.126 2.541 0.575 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -23.957 2.804 -1.882 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -22.367 2.067 -1.865 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -24.016 0.401 -2.524 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -23.346 -0.035 -0.965 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -25.803 -0.234 -1.139 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -25.282 0.755 0.140 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -25.899 1.456 -1.279 1.00 4.58 H new ATOM 84 N LYS A 57 -19.682 4.615 2.055 1.00 2.10 N ATOM 85 CA LYS A 57 -18.481 5.412 2.135 1.00 1.85 C ATOM 86 C LYS A 57 -17.513 5.033 1.039 1.00 1.54 C ATOM 87 O LYS A 57 -16.622 4.197 1.215 1.00 1.68 O ATOM 88 CB LYS A 57 -17.848 5.287 3.512 1.00 1.99 C ATOM 89 CG LYS A 57 -18.527 6.158 4.552 1.00 1.98 C ATOM 90 CD LYS A 57 -18.262 7.624 4.305 1.00 2.02 C ATOM 91 CE LYS A 57 -19.038 8.510 5.257 1.00 2.40 C ATOM 92 NZ LYS A 57 -18.746 9.953 5.037 1.00 3.04 N ATOM 0 H LYS A 57 -19.578 3.667 2.416 1.00 2.10 H new ATOM 0 HA LYS A 57 -18.747 6.459 1.988 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -17.890 4.246 3.833 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -16.794 5.559 3.449 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -19.601 5.974 4.537 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -18.171 5.885 5.545 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -17.196 7.823 4.413 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -18.530 7.873 3.278 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -20.106 8.332 5.129 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -18.791 8.242 6.284 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.008 10.494 5.886 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -17.731 10.077 4.847 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -19.295 10.298 4.224 1.00 3.04 H new ATOM 106 N CYS A 58 -17.720 5.665 -0.091 1.00 1.34 N ATOM 107 CA CYS A 58 -16.923 5.440 -1.274 1.00 1.07 C ATOM 108 C CYS A 58 -15.711 6.366 -1.280 1.00 0.85 C ATOM 109 O CYS A 58 -15.838 7.569 -1.514 1.00 1.07 O ATOM 110 CB CYS A 58 -17.794 5.694 -2.496 1.00 1.26 C ATOM 111 SG CYS A 58 -19.135 4.499 -2.706 1.00 1.99 S ATOM 0 H CYS A 58 -18.456 6.359 -0.217 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.559 4.413 -1.288 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.221 6.694 -2.423 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -17.166 5.679 -3.387 1.00 1.26 H new ATOM 0 HG CYS A 58 -19.821 4.799 -3.769 1.00 1.99 H new ATOM 117 N TYR A 59 -14.543 5.807 -0.995 1.00 0.57 N ATOM 118 CA TYR A 59 -13.311 6.584 -0.970 1.00 0.44 C ATOM 119 C TYR A 59 -12.329 6.103 -2.026 1.00 0.41 C ATOM 120 O TYR A 59 -11.136 6.366 -1.921 1.00 0.42 O ATOM 121 CB TYR A 59 -12.655 6.534 0.415 1.00 0.66 C ATOM 122 CG TYR A 59 -13.395 7.326 1.457 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.592 6.863 1.948 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.900 8.529 1.948 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.292 7.563 2.904 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.593 9.242 2.910 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.792 8.752 3.384 1.00 1.34 C ATOM 128 OH TYR A 59 -15.493 9.450 4.344 1.00 1.64 O ATOM 0 H TYR A 59 -14.422 4.818 -0.778 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.578 7.617 -1.194 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.587 5.496 0.739 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.635 6.911 0.339 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.991 5.931 1.576 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.962 8.912 1.573 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.231 7.180 3.276 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.199 10.174 3.287 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.004 10.267 4.577 1.00 1.64 H new ATOM 138 N LYS A 60 -12.830 5.412 -3.051 1.00 0.42 N ATOM 139 CA LYS A 60 -11.966 4.927 -4.126 1.00 0.43 C ATOM 140 C LYS A 60 -11.205 6.094 -4.741 1.00 0.40 C ATOM 141 O LYS A 60 -9.982 6.062 -4.854 1.00 0.41 O ATOM 142 CB LYS A 60 -12.777 4.220 -5.215 1.00 0.52 C ATOM 143 CG LYS A 60 -11.910 3.510 -6.245 1.00 1.16 C ATOM 144 CD LYS A 60 -12.709 3.016 -7.446 1.00 1.35 C ATOM 145 CE LYS A 60 -13.870 2.121 -7.041 1.00 1.75 C ATOM 146 NZ LYS A 60 -15.160 2.863 -7.008 1.00 2.29 N ATOM 0 H LYS A 60 -13.817 5.178 -3.159 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.266 4.210 -3.698 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.443 3.494 -4.749 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.407 4.951 -5.722 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.130 4.190 -6.588 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.411 2.664 -5.773 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -13.091 3.872 -8.002 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -12.048 2.468 -8.118 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -13.948 1.289 -7.741 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.672 1.693 -6.058 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -15.811 2.399 -6.342 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -14.990 3.842 -6.700 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -15.582 2.868 -7.958 1.00 2.29 H new ATOM 160 N LEU A 61 -11.952 7.135 -5.099 1.00 0.45 N ATOM 161 CA LEU A 61 -11.398 8.350 -5.677 1.00 0.49 C ATOM 162 C LEU A 61 -10.252 8.898 -4.834 1.00 0.38 C ATOM 163 O LEU A 61 -9.216 9.305 -5.365 1.00 0.41 O ATOM 164 CB LEU A 61 -12.497 9.413 -5.829 1.00 0.62 C ATOM 165 CG LEU A 61 -13.271 9.782 -4.551 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.954 11.121 -4.727 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.314 8.725 -4.202 1.00 0.81 C ATOM 0 H LEU A 61 -12.966 7.156 -4.994 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.000 8.100 -6.661 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.043 10.320 -6.228 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.212 9.062 -6.573 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.552 9.837 -3.734 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.499 11.374 -3.818 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -13.205 11.888 -4.926 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.650 11.067 -5.564 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.841 9.019 -3.294 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.027 8.633 -5.021 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.821 7.766 -4.041 1.00 0.81 H new ATOM 179 N GLU A 62 -10.444 8.907 -3.522 1.00 0.33 N ATOM 180 CA GLU A 62 -9.407 9.326 -2.604 1.00 0.30 C ATOM 181 C GLU A 62 -8.229 8.388 -2.629 1.00 0.26 C ATOM 182 O GLU A 62 -7.116 8.792 -2.928 1.00 0.32 O ATOM 183 CB GLU A 62 -9.958 9.373 -1.211 1.00 0.41 C ATOM 184 CG GLU A 62 -10.800 10.585 -0.986 1.00 0.50 C ATOM 185 CD GLU A 62 -10.063 11.880 -1.262 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.050 12.322 -2.429 1.00 2.00 O ATOM 187 OE2 GLU A 62 -9.486 12.458 -0.315 1.00 1.51 O ATOM 0 H GLU A 62 -11.316 8.626 -3.073 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.068 10.314 -2.916 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.552 8.478 -1.025 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.136 9.364 -0.495 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.681 10.532 -1.626 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.154 10.588 0.045 1.00 0.50 H new ATOM 194 N ASN A 63 -8.514 7.124 -2.374 1.00 0.24 N ATOM 195 CA ASN A 63 -7.486 6.116 -2.157 1.00 0.23 C ATOM 196 C ASN A 63 -6.618 5.919 -3.390 1.00 0.21 C ATOM 197 O ASN A 63 -5.432 5.630 -3.266 1.00 0.22 O ATOM 198 CB ASN A 63 -8.121 4.791 -1.731 1.00 0.33 C ATOM 199 CG ASN A 63 -8.885 4.910 -0.423 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.544 5.718 0.437 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.929 4.109 -0.268 1.00 0.90 N ATOM 0 H ASN A 63 -9.466 6.764 -2.311 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.839 6.473 -1.356 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.797 4.447 -2.514 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.343 4.035 -1.627 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.481 4.151 0.589 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.181 3.451 -1.005 1.00 0.90 H new ATOM 208 N GLU A 64 -7.194 6.082 -4.574 1.00 0.23 N ATOM 209 CA GLU A 64 -6.423 5.989 -5.798 1.00 0.29 C ATOM 210 C GLU A 64 -5.338 7.055 -5.832 1.00 0.29 C ATOM 211 O GLU A 64 -4.161 6.744 -5.996 1.00 0.35 O ATOM 212 CB GLU A 64 -7.328 6.146 -7.014 1.00 0.38 C ATOM 213 CG GLU A 64 -8.346 5.042 -7.171 1.00 0.41 C ATOM 214 CD GLU A 64 -9.034 5.096 -8.516 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.068 5.785 -8.629 1.00 0.69 O ATOM 216 OE2 GLU A 64 -8.529 4.467 -9.469 1.00 0.88 O ATOM 0 H GLU A 64 -8.186 6.278 -4.708 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.955 5.005 -5.825 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -7.850 7.100 -6.944 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.710 6.186 -7.911 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.855 4.076 -7.053 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.091 5.120 -6.379 1.00 0.41 H new ATOM 223 N LYS A 65 -5.738 8.307 -5.639 1.00 0.27 N ATOM 224 CA LYS A 65 -4.807 9.424 -5.708 1.00 0.30 C ATOM 225 C LYS A 65 -3.946 9.466 -4.470 1.00 0.23 C ATOM 226 O LYS A 65 -2.783 9.853 -4.496 1.00 0.30 O ATOM 227 CB LYS A 65 -5.554 10.712 -5.880 1.00 0.39 C ATOM 228 CG LYS A 65 -6.461 10.652 -7.073 1.00 0.65 C ATOM 229 CD LYS A 65 -5.763 10.076 -8.305 1.00 1.23 C ATOM 230 CE LYS A 65 -4.614 10.957 -8.778 1.00 2.14 C ATOM 231 NZ LYS A 65 -3.892 10.359 -9.936 1.00 2.98 N ATOM 0 H LYS A 65 -6.701 8.572 -5.434 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.157 9.287 -6.572 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.139 10.920 -4.984 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.847 11.534 -5.997 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -7.332 10.042 -6.834 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -6.826 11.654 -7.300 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -5.384 9.080 -8.074 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.488 9.962 -9.111 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -5.000 11.937 -9.058 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -3.915 11.113 -7.956 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -3.162 11.021 -10.269 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -3.444 9.468 -9.643 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.566 10.171 -10.706 1.00 2.98 H new ATOM 245 N LEU A 66 -4.560 9.062 -3.387 1.00 0.16 N ATOM 246 CA LEU A 66 -3.891 8.889 -2.115 1.00 0.15 C ATOM 247 C LEU A 66 -2.694 7.961 -2.249 1.00 0.15 C ATOM 248 O LEU A 66 -1.592 8.269 -1.794 1.00 0.18 O ATOM 249 CB LEU A 66 -4.890 8.303 -1.139 1.00 0.15 C ATOM 250 CG LEU A 66 -5.138 9.154 0.076 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.417 8.723 0.776 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.924 9.058 0.974 1.00 0.22 C ATOM 0 H LEU A 66 -5.555 8.839 -3.360 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.524 9.852 -1.761 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.836 8.144 -1.657 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.535 7.324 -0.817 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.282 10.197 -0.205 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.581 9.349 1.653 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.259 8.828 0.092 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.329 7.682 1.085 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.080 9.668 1.864 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.770 8.020 1.268 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.045 9.417 0.438 1.00 0.22 H new ATOM 264 N PHE A 67 -2.940 6.817 -2.856 1.00 0.14 N ATOM 265 CA PHE A 67 -1.905 5.846 -3.148 1.00 0.15 C ATOM 266 C PHE A 67 -0.783 6.474 -3.982 1.00 0.17 C ATOM 267 O PHE A 67 0.400 6.218 -3.746 1.00 0.20 O ATOM 268 CB PHE A 67 -2.523 4.660 -3.885 1.00 0.15 C ATOM 269 CG PHE A 67 -1.841 3.371 -3.593 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.720 2.984 -4.298 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.326 2.552 -2.599 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.093 1.792 -4.013 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.709 1.361 -2.305 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.587 0.975 -3.012 1.00 0.19 C ATOM 0 H PHE A 67 -3.871 6.533 -3.163 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.466 5.502 -2.212 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.575 4.578 -3.611 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.487 4.848 -4.958 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.332 3.621 -5.079 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.203 2.850 -2.043 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.783 1.495 -4.570 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.100 0.727 -1.523 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.098 0.040 -2.784 1.00 0.19 H new ATOM 284 N GLU A 68 -1.168 7.309 -4.946 1.00 0.18 N ATOM 285 CA GLU A 68 -0.211 8.031 -5.789 1.00 0.23 C ATOM 286 C GLU A 68 0.706 8.865 -4.932 1.00 0.19 C ATOM 287 O GLU A 68 1.909 8.870 -5.127 1.00 0.24 O ATOM 288 CB GLU A 68 -0.919 8.986 -6.729 1.00 0.40 C ATOM 289 CG GLU A 68 -2.146 8.416 -7.339 1.00 0.54 C ATOM 290 CD GLU A 68 -1.896 7.596 -8.584 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.159 6.590 -8.484 1.00 1.81 O ATOM 292 OE2 GLU A 68 -2.406 7.954 -9.664 1.00 1.39 O ATOM 0 H GLU A 68 -2.145 7.505 -5.165 1.00 0.18 H new ATOM 0 HA GLU A 68 0.343 7.283 -6.356 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -1.182 9.892 -6.183 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.231 9.279 -7.522 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.648 7.791 -6.601 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.828 9.230 -7.585 1.00 0.54 H new ATOM 299 N GLU A 69 0.111 9.580 -3.986 1.00 0.19 N ATOM 300 CA GLU A 69 0.867 10.478 -3.118 1.00 0.22 C ATOM 301 C GLU A 69 2.029 9.752 -2.450 1.00 0.20 C ATOM 302 O GLU A 69 3.144 10.274 -2.376 1.00 0.28 O ATOM 303 CB GLU A 69 -0.061 11.054 -2.062 1.00 0.26 C ATOM 304 CG GLU A 69 -1.228 11.806 -2.659 1.00 0.34 C ATOM 305 CD GLU A 69 -0.856 13.200 -3.110 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.719 14.091 -2.248 1.00 1.31 O ATOM 307 OE2 GLU A 69 -0.700 13.408 -4.330 1.00 1.78 O ATOM 0 H GLU A 69 -0.891 9.557 -3.799 1.00 0.19 H new ATOM 0 HA GLU A 69 1.281 11.282 -3.726 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.437 10.246 -1.435 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.504 11.724 -1.414 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.619 11.246 -3.509 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.029 11.869 -1.923 1.00 0.34 H new ATOM 314 N PHE A 70 1.763 8.542 -1.990 1.00 0.15 N ATOM 315 CA PHE A 70 2.790 7.695 -1.402 1.00 0.13 C ATOM 316 C PHE A 70 3.826 7.307 -2.456 1.00 0.13 C ATOM 317 O PHE A 70 5.026 7.350 -2.206 1.00 0.14 O ATOM 318 CB PHE A 70 2.132 6.452 -0.807 1.00 0.12 C ATOM 319 CG PHE A 70 3.032 5.631 0.072 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.183 5.073 -0.434 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.701 5.393 1.392 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.995 4.288 0.352 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.512 4.615 2.193 1.00 0.11 C ATOM 324 CZ PHE A 70 4.662 4.058 1.671 1.00 0.11 C ATOM 0 H PHE A 70 0.835 8.119 -2.012 1.00 0.15 H new ATOM 0 HA PHE A 70 3.305 8.241 -0.611 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.261 6.759 -0.228 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.768 5.824 -1.620 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.453 5.254 -1.464 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.798 5.820 1.802 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.892 3.852 -0.063 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.247 4.442 3.226 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.298 3.445 2.292 1.00 0.11 H new ATOM 334 N LEU A 71 3.354 6.953 -3.637 1.00 0.14 N ATOM 335 CA LEU A 71 4.214 6.490 -4.712 1.00 0.15 C ATOM 336 C LEU A 71 5.084 7.593 -5.265 1.00 0.16 C ATOM 337 O LEU A 71 6.257 7.390 -5.561 1.00 0.18 O ATOM 338 CB LEU A 71 3.342 5.935 -5.805 1.00 0.17 C ATOM 339 CG LEU A 71 2.639 4.658 -5.418 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.747 4.206 -6.539 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.676 3.617 -5.080 1.00 0.16 C ATOM 0 H LEU A 71 2.363 6.978 -3.879 1.00 0.14 H new ATOM 0 HA LEU A 71 4.883 5.726 -4.316 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.598 6.682 -6.081 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.952 5.752 -6.689 1.00 0.17 H new ATOM 0 HG LEU A 71 2.010 4.821 -4.543 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.242 3.283 -6.253 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.004 4.976 -6.746 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.346 4.030 -7.432 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.181 2.688 -4.798 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.311 3.441 -5.948 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.287 3.969 -4.249 1.00 0.16 H new ATOM 353 N GLU A 72 4.493 8.749 -5.422 1.00 0.16 N ATOM 354 CA GLU A 72 5.197 9.917 -5.896 1.00 0.19 C ATOM 355 C GLU A 72 6.284 10.303 -4.913 1.00 0.18 C ATOM 356 O GLU A 72 7.326 10.832 -5.293 1.00 0.21 O ATOM 357 CB GLU A 72 4.198 11.029 -6.135 1.00 0.24 C ATOM 358 CG GLU A 72 3.195 10.648 -7.211 1.00 0.29 C ATOM 359 CD GLU A 72 3.818 10.664 -8.592 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.324 11.722 -9.011 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.805 9.612 -9.264 1.00 1.17 O ATOM 0 H GLU A 72 3.505 8.910 -5.224 1.00 0.16 H new ATOM 0 HA GLU A 72 5.695 9.709 -6.843 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.672 11.254 -5.207 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.724 11.937 -6.430 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.798 9.654 -7.003 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.353 11.339 -7.184 1.00 0.29 H new ATOM 368 N LEU A 73 6.026 10.023 -3.648 1.00 0.16 N ATOM 369 CA LEU A 73 7.031 10.119 -2.620 1.00 0.16 C ATOM 370 C LEU A 73 8.045 8.986 -2.780 1.00 0.15 C ATOM 371 O LEU A 73 9.252 9.206 -2.707 1.00 0.18 O ATOM 372 CB LEU A 73 6.348 10.035 -1.260 1.00 0.16 C ATOM 373 CG LEU A 73 7.270 9.768 -0.084 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.636 11.063 0.616 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.604 8.794 0.865 1.00 0.16 C ATOM 0 H LEU A 73 5.111 9.723 -3.311 1.00 0.16 H new ATOM 0 HA LEU A 73 7.561 11.068 -2.702 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.819 10.971 -1.080 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.597 9.246 -1.298 1.00 0.16 H new ATOM 0 HG LEU A 73 8.197 9.323 -0.445 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.297 10.848 1.456 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.143 11.725 -0.086 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.731 11.547 0.982 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.264 8.601 1.710 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.668 9.220 1.226 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.400 7.859 0.343 1.00 0.16 H new ATOM 387 N CYS A 74 7.538 7.777 -3.025 1.00 0.13 N ATOM 388 CA CYS A 74 8.373 6.598 -3.175 1.00 0.13 C ATOM 389 C CYS A 74 9.373 6.787 -4.320 1.00 0.15 C ATOM 390 O CYS A 74 10.523 6.379 -4.214 1.00 0.18 O ATOM 391 CB CYS A 74 7.487 5.374 -3.419 1.00 0.16 C ATOM 392 SG CYS A 74 8.340 3.795 -3.254 1.00 0.50 S ATOM 0 H CYS A 74 6.539 7.594 -3.124 1.00 0.13 H new ATOM 0 HA CYS A 74 8.944 6.444 -2.259 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.653 5.398 -2.717 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.063 5.441 -4.421 1.00 0.16 H new ATOM 0 HG CYS A 74 9.340 3.753 -4.084 1.00 0.50 H new ATOM 398 N LYS A 75 8.933 7.441 -5.396 1.00 0.18 N ATOM 399 CA LYS A 75 9.791 7.758 -6.524 1.00 0.22 C ATOM 400 C LYS A 75 11.034 8.548 -6.108 1.00 0.22 C ATOM 401 O LYS A 75 12.051 8.527 -6.799 1.00 0.26 O ATOM 402 CB LYS A 75 9.021 8.561 -7.555 1.00 0.28 C ATOM 403 CG LYS A 75 8.727 7.741 -8.779 1.00 0.57 C ATOM 404 CD LYS A 75 7.520 6.849 -8.589 1.00 0.61 C ATOM 405 CE LYS A 75 6.211 7.622 -8.692 1.00 0.38 C ATOM 406 NZ LYS A 75 6.012 8.248 -10.026 1.00 0.96 N ATOM 0 H LYS A 75 7.971 7.763 -5.504 1.00 0.18 H new ATOM 0 HA LYS A 75 10.119 6.809 -6.947 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.087 8.915 -7.119 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.596 9.443 -7.836 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.557 8.404 -9.627 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.595 7.129 -9.022 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.533 6.058 -9.339 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.578 6.365 -7.614 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.380 6.948 -8.485 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.191 8.397 -7.926 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.041 8.613 -10.097 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.686 9.031 -10.146 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.170 7.538 -10.770 1.00 0.96 H new ATOM 420 N MET A 76 10.945 9.241 -4.979 1.00 0.22 N ATOM 421 CA MET A 76 12.030 10.098 -4.520 1.00 0.26 C ATOM 422 C MET A 76 12.887 9.340 -3.523 1.00 0.25 C ATOM 423 O MET A 76 14.101 9.531 -3.434 1.00 0.32 O ATOM 424 CB MET A 76 11.476 11.359 -3.841 1.00 0.29 C ATOM 425 CG MET A 76 10.250 11.952 -4.510 1.00 0.27 C ATOM 426 SD MET A 76 9.717 13.496 -3.742 1.00 0.32 S ATOM 427 CE MET A 76 9.305 12.930 -2.095 1.00 0.35 C ATOM 0 H MET A 76 10.131 9.226 -4.364 1.00 0.22 H new ATOM 0 HA MET A 76 12.626 10.392 -5.384 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.229 11.120 -2.807 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.260 12.115 -3.814 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.466 12.130 -5.563 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.434 11.230 -4.470 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.269 13.184 -1.872 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.434 11.849 -2.039 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.961 13.412 -1.370 1.00 0.35 H new ATOM 437 N GLN A 77 12.230 8.466 -2.782 1.00 0.21 N ATOM 438 CA GLN A 77 12.860 7.734 -1.703 1.00 0.22 C ATOM 439 C GLN A 77 13.523 6.470 -2.233 1.00 0.21 C ATOM 440 O GLN A 77 14.731 6.284 -2.100 1.00 0.24 O ATOM 441 CB GLN A 77 11.808 7.353 -0.670 1.00 0.23 C ATOM 442 CG GLN A 77 10.877 8.483 -0.259 1.00 0.30 C ATOM 443 CD GLN A 77 11.519 9.511 0.642 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.722 9.758 0.581 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.703 10.113 1.489 1.00 0.48 N ATOM 0 H GLN A 77 11.243 8.245 -2.913 1.00 0.21 H new ATOM 0 HA GLN A 77 13.620 8.367 -1.246 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.209 6.534 -1.068 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.313 6.976 0.219 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.508 8.981 -1.156 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.011 8.060 0.249 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.712 9.873 1.501 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.064 10.818 2.131 1.00 0.48 H new ATOM 454 N THR A 78 12.725 5.612 -2.858 1.00 0.18 N ATOM 455 CA THR A 78 13.223 4.370 -3.413 1.00 0.20 C ATOM 456 C THR A 78 13.767 4.617 -4.810 1.00 0.22 C ATOM 457 O THR A 78 13.543 3.837 -5.729 1.00 0.24 O ATOM 458 CB THR A 78 12.116 3.297 -3.470 1.00 0.20 C ATOM 459 OG1 THR A 78 11.103 3.679 -4.411 1.00 0.56 O ATOM 460 CG2 THR A 78 11.482 3.113 -2.103 1.00 0.42 C ATOM 0 H THR A 78 11.725 5.760 -2.991 1.00 0.18 H new ATOM 0 HA THR A 78 14.019 4.003 -2.765 1.00 0.20 H new ATOM 0 HB THR A 78 12.570 2.357 -3.785 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.973 4.650 -4.376 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.703 2.352 -2.162 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.243 2.799 -1.388 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.044 4.056 -1.775 1.00 0.42 H new ATOM 468 N ALA A 79 14.476 5.721 -4.960 1.00 0.25 N ATOM 469 CA ALA A 79 15.059 6.091 -6.234 1.00 0.30 C ATOM 470 C ALA A 79 16.164 5.113 -6.604 1.00 0.34 C ATOM 471 O ALA A 79 16.487 4.930 -7.776 1.00 0.42 O ATOM 472 CB ALA A 79 15.586 7.510 -6.158 1.00 0.32 C ATOM 0 H ALA A 79 14.662 6.382 -4.206 1.00 0.25 H new ATOM 0 HA ALA A 79 14.297 6.048 -7.012 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.024 7.787 -7.117 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.767 8.190 -5.923 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.346 7.575 -5.379 1.00 0.32 H new ATOM 478 N ASP A 80 16.724 4.476 -5.584 1.00 0.35 N ATOM 479 CA ASP A 80 17.750 3.457 -5.769 1.00 0.44 C ATOM 480 C ASP A 80 17.126 2.132 -6.193 1.00 0.38 C ATOM 481 O ASP A 80 17.809 1.238 -6.692 1.00 0.44 O ATOM 482 CB ASP A 80 18.546 3.260 -4.480 1.00 0.59 C ATOM 483 CG ASP A 80 19.313 4.502 -4.075 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.354 4.800 -4.706 1.00 1.68 O ATOM 485 OD2 ASP A 80 18.877 5.185 -3.127 1.00 2.29 O ATOM 0 H ASP A 80 16.481 4.650 -4.609 1.00 0.35 H new ATOM 0 HA ASP A 80 18.423 3.797 -6.556 1.00 0.44 H new ATOM 0 HB2 ASP A 80 17.866 2.979 -3.676 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.244 2.433 -4.611 1.00 0.59 H new ATOM 490 N HIS A 81 15.824 2.013 -5.989 1.00 0.35 N ATOM 491 CA HIS A 81 15.090 0.799 -6.335 1.00 0.39 C ATOM 492 C HIS A 81 13.687 1.148 -6.822 1.00 0.34 C ATOM 493 O HIS A 81 12.720 1.027 -6.071 1.00 0.30 O ATOM 494 CB HIS A 81 14.983 -0.150 -5.133 1.00 0.49 C ATOM 495 CG HIS A 81 16.207 -0.979 -4.876 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.392 -2.229 -5.427 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.295 -0.751 -4.100 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.535 -2.734 -5.004 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.102 -1.858 -4.200 1.00 1.12 N ATOM 0 H HIS A 81 15.246 2.748 -5.582 1.00 0.35 H new ATOM 0 HA HIS A 81 15.642 0.298 -7.130 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.766 0.438 -4.241 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.135 -0.817 -5.289 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.744 -2.693 -6.064 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.490 0.135 -3.513 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.937 -3.700 -5.271 1.00 2.11 H new ATOM 508 N PRO A 82 13.552 1.582 -8.087 1.00 0.39 N ATOM 509 CA PRO A 82 12.257 1.972 -8.670 1.00 0.39 C ATOM 510 C PRO A 82 11.332 0.777 -8.923 1.00 0.35 C ATOM 511 O PRO A 82 10.460 0.828 -9.782 1.00 0.39 O ATOM 512 CB PRO A 82 12.660 2.629 -9.987 1.00 0.50 C ATOM 513 CG PRO A 82 13.940 1.979 -10.355 1.00 0.53 C ATOM 514 CD PRO A 82 14.650 1.737 -9.060 1.00 0.48 C ATOM 0 HA PRO A 82 11.688 2.620 -8.003 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.902 2.474 -10.755 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.782 3.706 -9.871 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.767 1.044 -10.889 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.530 2.617 -11.013 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.274 0.845 -9.106 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.303 2.570 -8.799 1.00 0.48 H new ATOM 522 N GLU A 83 11.539 -0.290 -8.164 1.00 0.29 N ATOM 523 CA GLU A 83 10.728 -1.494 -8.265 1.00 0.26 C ATOM 524 C GLU A 83 9.526 -1.394 -7.331 1.00 0.19 C ATOM 525 O GLU A 83 8.454 -1.928 -7.613 1.00 0.22 O ATOM 526 CB GLU A 83 11.581 -2.705 -7.889 1.00 0.33 C ATOM 527 CG GLU A 83 12.879 -2.783 -8.671 1.00 0.49 C ATOM 528 CD GLU A 83 13.922 -3.648 -7.997 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.922 -4.875 -8.214 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.765 -3.097 -7.257 1.00 2.05 O ATOM 0 H GLU A 83 12.275 -0.345 -7.460 1.00 0.29 H new ATOM 0 HA GLU A 83 10.367 -1.605 -9.287 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.807 -2.666 -6.823 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.005 -3.615 -8.060 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.675 -3.178 -9.666 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.279 -1.778 -8.803 1.00 0.49 H new ATOM 537 N VAL A 84 9.734 -0.695 -6.220 1.00 0.15 N ATOM 538 CA VAL A 84 8.731 -0.533 -5.173 1.00 0.11 C ATOM 539 C VAL A 84 7.418 0.050 -5.693 1.00 0.11 C ATOM 540 O VAL A 84 6.349 -0.526 -5.506 1.00 0.13 O ATOM 541 CB VAL A 84 9.256 0.420 -4.096 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.323 0.422 -2.914 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.676 0.065 -3.684 1.00 0.14 C ATOM 0 H VAL A 84 10.614 -0.220 -6.019 1.00 0.15 H new ATOM 0 HA VAL A 84 8.540 -1.530 -4.777 1.00 0.11 H new ATOM 0 HB VAL A 84 9.290 1.427 -4.511 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.703 1.102 -2.152 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.333 0.750 -3.232 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.256 -0.585 -2.501 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.018 0.761 -2.918 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.697 -0.950 -3.287 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.333 0.129 -4.551 1.00 0.14 H new ATOM 553 N VAL A 85 7.521 1.211 -6.317 1.00 0.11 N ATOM 554 CA VAL A 85 6.363 1.942 -6.838 1.00 0.13 C ATOM 555 C VAL A 85 5.491 1.068 -7.753 1.00 0.15 C ATOM 556 O VAL A 85 4.297 0.913 -7.491 1.00 0.16 O ATOM 557 CB VAL A 85 6.821 3.217 -7.576 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.646 4.112 -7.912 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.841 3.965 -6.741 1.00 0.15 C ATOM 0 H VAL A 85 8.411 1.681 -6.481 1.00 0.11 H new ATOM 0 HA VAL A 85 5.746 2.228 -5.986 1.00 0.13 H new ATOM 0 HB VAL A 85 7.286 2.917 -8.515 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.003 5.001 -8.431 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.949 3.572 -8.553 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.139 4.407 -6.993 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.157 4.863 -7.272 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.395 4.245 -5.787 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.705 3.325 -6.563 1.00 0.15 H new ATOM 569 N PRO A 86 6.057 0.477 -8.832 1.00 0.17 N ATOM 570 CA PRO A 86 5.313 -0.447 -9.699 1.00 0.20 C ATOM 571 C PRO A 86 4.741 -1.632 -8.926 1.00 0.18 C ATOM 572 O PRO A 86 3.658 -2.130 -9.244 1.00 0.20 O ATOM 573 CB PRO A 86 6.357 -0.927 -10.710 1.00 0.23 C ATOM 574 CG PRO A 86 7.400 0.132 -10.714 1.00 0.22 C ATOM 575 CD PRO A 86 7.436 0.681 -9.316 1.00 0.17 C ATOM 0 HA PRO A 86 4.454 0.040 -10.160 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.774 -1.891 -10.420 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.919 -1.054 -11.700 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.370 -0.276 -10.998 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.160 0.914 -11.434 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.161 0.154 -8.696 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.714 1.735 -9.305 1.00 0.17 H new ATOM 583 N PHE A 87 5.472 -2.076 -7.909 1.00 0.16 N ATOM 584 CA PHE A 87 5.020 -3.162 -7.046 1.00 0.15 C ATOM 585 C PHE A 87 3.755 -2.739 -6.302 1.00 0.14 C ATOM 586 O PHE A 87 2.731 -3.418 -6.380 1.00 0.16 O ATOM 587 CB PHE A 87 6.138 -3.547 -6.062 1.00 0.17 C ATOM 588 CG PHE A 87 5.835 -4.708 -5.144 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.592 -5.318 -5.124 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.812 -5.180 -4.289 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.331 -6.367 -4.272 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.557 -6.232 -3.435 1.00 0.25 C ATOM 593 CZ PHE A 87 5.316 -6.824 -3.427 1.00 0.38 C ATOM 0 H PHE A 87 6.386 -1.698 -7.661 1.00 0.16 H new ATOM 0 HA PHE A 87 4.784 -4.036 -7.653 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.034 -3.786 -6.635 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.373 -2.676 -5.450 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.816 -4.965 -5.787 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.789 -4.719 -4.290 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.355 -6.830 -4.267 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.331 -6.591 -2.773 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.115 -7.647 -2.758 1.00 0.38 H new ATOM 603 N LEU A 88 3.821 -1.614 -5.598 1.00 0.12 N ATOM 604 CA LEU A 88 2.666 -1.113 -4.866 1.00 0.13 C ATOM 605 C LEU A 88 1.478 -0.933 -5.800 1.00 0.14 C ATOM 606 O LEU A 88 0.346 -1.273 -5.453 1.00 0.16 O ATOM 607 CB LEU A 88 2.987 0.204 -4.166 1.00 0.13 C ATOM 608 CG LEU A 88 3.989 0.112 -3.023 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.001 1.418 -2.242 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.642 -1.065 -2.123 1.00 0.20 C ATOM 0 H LEU A 88 4.657 -1.035 -5.520 1.00 0.12 H new ATOM 0 HA LEU A 88 2.408 -1.850 -4.106 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.371 0.905 -4.907 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.059 0.625 -3.779 1.00 0.13 H new ATOM 0 HG LEU A 88 4.988 -0.053 -3.426 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.719 1.347 -1.425 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.285 2.236 -2.905 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.008 1.608 -1.836 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.363 -1.125 -1.308 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.641 -0.927 -1.713 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.673 -1.988 -2.703 1.00 0.20 H new ATOM 622 N TYR A 89 1.751 -0.412 -6.992 1.00 0.16 N ATOM 623 CA TYR A 89 0.719 -0.277 -8.018 1.00 0.20 C ATOM 624 C TYR A 89 0.079 -1.629 -8.300 1.00 0.21 C ATOM 625 O TYR A 89 -1.140 -1.782 -8.248 1.00 0.25 O ATOM 626 CB TYR A 89 1.304 0.252 -9.331 1.00 0.22 C ATOM 627 CG TYR A 89 1.237 1.745 -9.505 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.018 2.383 -9.668 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.390 2.513 -9.521 1.00 0.28 C ATOM 630 CE1 TYR A 89 -0.052 3.749 -9.841 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.332 3.880 -9.698 1.00 0.37 C ATOM 632 CZ TYR A 89 1.105 4.495 -9.857 1.00 0.43 C ATOM 633 OH TYR A 89 1.032 5.860 -10.033 1.00 0.54 O ATOM 0 H TYR A 89 2.673 -0.077 -7.272 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.022 0.428 -7.640 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.346 -0.059 -9.398 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.777 -0.219 -10.161 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.892 1.801 -9.659 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.349 2.034 -9.393 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -1.010 4.232 -9.963 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.239 4.465 -9.712 1.00 0.37 H new ATOM 0 HH TYR A 89 0.287 6.218 -9.506 1.00 0.54 H new ATOM 643 N ASN A 90 0.935 -2.609 -8.558 1.00 0.19 N ATOM 644 CA ASN A 90 0.512 -3.943 -8.961 1.00 0.23 C ATOM 645 C ASN A 90 -0.266 -4.621 -7.844 1.00 0.22 C ATOM 646 O ASN A 90 -1.261 -5.306 -8.091 1.00 0.27 O ATOM 647 CB ASN A 90 1.740 -4.772 -9.324 1.00 0.27 C ATOM 648 CG ASN A 90 1.439 -5.919 -10.270 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.265 -6.265 -11.114 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.270 -6.522 -10.146 1.00 0.67 N ATOM 0 H ASN A 90 1.947 -2.500 -8.493 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.143 -3.861 -9.828 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.486 -4.121 -9.781 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.182 -5.171 -8.411 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.030 -7.300 -10.761 1.00 0.67 H new ATOM 0 HD22 ASN A 90 -0.392 -6.210 -9.436 1.00 0.67 H new ATOM 657 N ARG A 91 0.187 -4.419 -6.619 1.00 0.19 N ATOM 658 CA ARG A 91 -0.455 -5.009 -5.458 1.00 0.20 C ATOM 659 C ARG A 91 -1.860 -4.443 -5.279 1.00 0.20 C ATOM 660 O ARG A 91 -2.783 -5.179 -4.935 1.00 0.22 O ATOM 661 CB ARG A 91 0.393 -4.780 -4.206 1.00 0.22 C ATOM 662 CG ARG A 91 -0.190 -5.397 -2.943 1.00 0.26 C ATOM 663 CD ARG A 91 -0.437 -6.885 -3.091 1.00 0.36 C ATOM 664 NE ARG A 91 0.773 -7.605 -3.495 1.00 0.80 N ATOM 665 CZ ARG A 91 0.869 -8.933 -3.538 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.170 -9.682 -3.215 1.00 1.38 N ATOM 667 NH2 ARG A 91 2.010 -9.511 -3.883 1.00 1.25 N ATOM 0 H ARG A 91 1.003 -3.847 -6.402 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.543 -6.084 -5.616 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.388 -5.192 -4.373 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.513 -3.708 -4.052 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.491 -5.225 -2.110 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.127 -4.898 -2.697 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -0.800 -7.288 -2.145 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.221 -7.051 -3.830 1.00 0.36 H new ATOM 0 HE ARG A 91 1.591 -7.057 -3.759 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.047 -9.244 -2.932 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.096 -10.699 -3.248 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.821 -8.939 -4.117 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.077 -10.528 -3.914 1.00 1.25 H new ATOM 681 N GLN A 92 -2.023 -3.144 -5.530 1.00 0.19 N ATOM 682 CA GLN A 92 -3.339 -2.519 -5.449 1.00 0.21 C ATOM 683 C GLN A 92 -4.250 -3.082 -6.531 1.00 0.24 C ATOM 684 O GLN A 92 -5.447 -3.256 -6.325 1.00 0.26 O ATOM 685 CB GLN A 92 -3.246 -1.000 -5.596 1.00 0.23 C ATOM 686 CG GLN A 92 -4.512 -0.284 -5.147 1.00 0.34 C ATOM 687 CD GLN A 92 -4.566 1.166 -5.588 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.538 1.806 -5.796 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.772 1.702 -5.723 1.00 0.78 N ATOM 0 H GLN A 92 -1.266 -2.511 -5.789 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.754 -2.742 -4.466 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.401 -0.634 -5.012 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -3.044 -0.752 -6.638 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.380 -0.810 -5.544 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.581 -0.329 -4.060 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.603 1.140 -5.542 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.868 2.677 -6.008 1.00 0.78 H new ATOM 698 N GLN A 93 -3.663 -3.376 -7.685 1.00 0.26 N ATOM 699 CA GLN A 93 -4.415 -3.910 -8.813 1.00 0.32 C ATOM 700 C GLN A 93 -4.912 -5.315 -8.505 1.00 0.34 C ATOM 701 O GLN A 93 -5.942 -5.748 -9.023 1.00 0.40 O ATOM 702 CB GLN A 93 -3.554 -3.947 -10.078 1.00 0.36 C ATOM 703 CG GLN A 93 -2.933 -2.620 -10.461 1.00 0.38 C ATOM 704 CD GLN A 93 -3.941 -1.508 -10.567 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.528 -1.276 -11.623 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.134 -0.814 -9.467 1.00 0.57 N ATOM 0 H GLN A 93 -2.666 -3.253 -7.864 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.267 -3.252 -8.983 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.758 -4.678 -9.938 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.167 -4.299 -10.908 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.180 -2.351 -9.721 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.418 -2.728 -11.415 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.620 -1.050 -8.618 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.798 -0.040 -9.462 1.00 0.57 H new ATOM 715 N ARG A 94 -4.167 -6.031 -7.673 1.00 0.33 N ATOM 716 CA ARG A 94 -4.535 -7.390 -7.304 1.00 0.38 C ATOM 717 C ARG A 94 -5.471 -7.388 -6.105 1.00 0.32 C ATOM 718 O ARG A 94 -6.198 -8.354 -5.864 1.00 0.46 O ATOM 719 CB ARG A 94 -3.297 -8.235 -7.001 1.00 0.47 C ATOM 720 CG ARG A 94 -2.367 -8.394 -8.194 1.00 0.70 C ATOM 721 CD ARG A 94 -3.124 -8.819 -9.445 1.00 0.95 C ATOM 722 NE ARG A 94 -3.951 -10.004 -9.221 1.00 1.67 N ATOM 723 CZ ARG A 94 -5.012 -10.322 -9.963 1.00 2.40 C ATOM 724 NH1 ARG A 94 -5.342 -9.579 -11.016 1.00 2.73 N ATOM 725 NH2 ARG A 94 -5.734 -11.390 -9.653 1.00 3.24 N ATOM 0 H ARG A 94 -3.306 -5.694 -7.242 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.054 -7.834 -8.154 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.746 -7.778 -6.179 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.614 -9.222 -6.663 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.852 -7.452 -8.382 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.601 -9.135 -7.963 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.756 -7.997 -9.781 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.413 -9.022 -10.245 1.00 0.95 H new ATOM 0 HE ARG A 94 -3.701 -10.624 -8.451 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.782 -8.762 -11.259 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -6.155 -9.827 -11.580 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -5.477 -11.964 -8.850 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -6.547 -11.638 -10.217 1.00 3.24 H new ATOM 739 N ALA A 95 -5.442 -6.299 -5.353 1.00 0.28 N ATOM 740 CA ALA A 95 -6.312 -6.134 -4.208 1.00 0.25 C ATOM 741 C ALA A 95 -7.740 -5.870 -4.670 1.00 0.26 C ATOM 742 O ALA A 95 -7.965 -5.141 -5.637 1.00 0.36 O ATOM 743 CB ALA A 95 -5.797 -4.994 -3.343 1.00 0.25 C ATOM 0 H ALA A 95 -4.817 -5.511 -5.521 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.315 -7.048 -3.614 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.451 -4.868 -2.480 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.787 -5.223 -3.003 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.783 -4.073 -3.925 1.00 0.25 H new ATOM 749 N HIS A 96 -8.696 -6.493 -3.996 1.00 0.29 N ATOM 750 CA HIS A 96 -10.103 -6.326 -4.333 1.00 0.29 C ATOM 751 C HIS A 96 -10.514 -4.870 -4.160 1.00 0.27 C ATOM 752 O HIS A 96 -10.285 -4.264 -3.110 1.00 0.29 O ATOM 753 CB HIS A 96 -10.979 -7.224 -3.465 1.00 0.33 C ATOM 754 CG HIS A 96 -12.325 -7.483 -4.056 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.397 -6.667 -3.793 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.712 -8.470 -4.893 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.408 -7.175 -4.477 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.040 -8.267 -5.162 1.00 0.50 N ATOM 0 H HIS A 96 -8.523 -7.120 -3.211 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.242 -6.614 -5.375 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.470 -8.175 -3.308 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.102 -6.763 -2.485 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.093 -9.267 -5.277 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.406 -6.762 -4.483 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.633 -8.836 -5.766 1.00 0.50 H new ATOM 766 N SER A 97 -11.150 -4.335 -5.185 1.00 0.32 N ATOM 767 CA SER A 97 -11.430 -2.906 -5.268 1.00 0.37 C ATOM 768 C SER A 97 -12.459 -2.438 -4.230 1.00 0.33 C ATOM 769 O SER A 97 -12.651 -1.234 -4.060 1.00 0.39 O ATOM 770 CB SER A 97 -11.902 -2.543 -6.680 1.00 0.48 C ATOM 771 OG SER A 97 -12.090 -1.144 -6.819 1.00 1.46 O ATOM 0 H SER A 97 -11.488 -4.873 -5.983 1.00 0.32 H new ATOM 0 HA SER A 97 -10.498 -2.387 -5.045 1.00 0.37 H new ATOM 0 HB2 SER A 97 -11.169 -2.888 -7.410 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.836 -3.061 -6.897 1.00 0.48 H new ATOM 0 HG SER A 97 -12.363 -0.764 -5.958 1.00 1.46 H new ATOM 777 N LEU A 98 -13.110 -3.366 -3.536 1.00 0.29 N ATOM 778 CA LEU A 98 -14.088 -2.988 -2.525 1.00 0.32 C ATOM 779 C LEU A 98 -13.407 -2.348 -1.324 1.00 0.35 C ATOM 780 O LEU A 98 -13.822 -1.289 -0.858 1.00 0.43 O ATOM 781 CB LEU A 98 -14.914 -4.193 -2.087 1.00 0.35 C ATOM 782 CG LEU A 98 -16.070 -4.551 -3.019 1.00 0.40 C ATOM 783 CD1 LEU A 98 -16.883 -5.690 -2.431 1.00 0.70 C ATOM 784 CD2 LEU A 98 -16.953 -3.336 -3.268 1.00 0.67 C ATOM 0 H LEU A 98 -12.980 -4.371 -3.653 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.761 -2.255 -2.970 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.254 -5.056 -2.002 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.315 -3.999 -1.092 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.659 -4.874 -3.975 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.704 -5.936 -3.104 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.245 -6.564 -2.302 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.285 -5.389 -1.464 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.771 -3.611 -3.934 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.360 -2.982 -2.321 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.361 -2.544 -3.728 1.00 0.67 H new ATOM 796 N PHE A 99 -12.352 -2.985 -0.839 1.00 0.32 N ATOM 797 CA PHE A 99 -11.593 -2.453 0.281 1.00 0.34 C ATOM 798 C PHE A 99 -10.871 -1.179 -0.133 1.00 0.34 C ATOM 799 O PHE A 99 -10.792 -0.220 0.633 1.00 0.39 O ATOM 800 CB PHE A 99 -10.597 -3.495 0.792 1.00 0.36 C ATOM 801 CG PHE A 99 -9.650 -2.976 1.838 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.106 -2.649 3.104 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.299 -2.815 1.555 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.238 -2.174 4.067 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.429 -2.342 2.515 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.898 -2.019 3.772 1.00 0.58 C ATOM 0 H PHE A 99 -12.002 -3.871 -1.204 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.283 -2.213 1.090 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.150 -4.339 1.204 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.019 -3.874 -0.051 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.153 -2.767 3.341 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.926 -3.063 0.572 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.607 -1.924 5.051 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.381 -2.224 2.283 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.218 -1.646 4.524 1.00 0.58 H new ATOM 816 N LEU A 100 -10.359 -1.172 -1.357 1.00 0.31 N ATOM 817 CA LEU A 100 -9.692 0.000 -1.910 1.00 0.36 C ATOM 818 C LEU A 100 -10.662 1.172 -2.045 1.00 0.45 C ATOM 819 O LEU A 100 -10.253 2.320 -2.179 1.00 0.79 O ATOM 820 CB LEU A 100 -9.113 -0.334 -3.277 1.00 0.37 C ATOM 821 CG LEU A 100 -8.386 -1.669 -3.359 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.927 -1.921 -4.779 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.212 -1.702 -2.396 1.00 0.70 C ATOM 0 H LEU A 100 -10.393 -1.971 -1.990 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.892 0.288 -1.228 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.922 -0.332 -4.008 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.421 0.458 -3.565 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.076 -2.462 -3.071 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.408 -2.878 -4.829 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.792 -1.942 -5.443 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.251 -1.125 -5.089 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.707 -2.665 -2.471 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.513 -0.905 -2.647 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.573 -1.560 -1.377 1.00 0.70 H new ATOM 835 N ALA A 101 -11.950 0.874 -2.029 1.00 0.28 N ATOM 836 CA ALA A 101 -12.974 1.904 -2.124 1.00 0.33 C ATOM 837 C ALA A 101 -13.759 2.030 -0.820 1.00 0.36 C ATOM 838 O ALA A 101 -14.986 1.943 -0.810 1.00 0.57 O ATOM 839 CB ALA A 101 -13.907 1.606 -3.285 1.00 0.36 C ATOM 0 H ALA A 101 -12.314 -0.076 -1.951 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.480 2.859 -2.304 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.670 2.382 -3.348 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.336 1.582 -4.213 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.386 0.639 -3.128 1.00 0.36 H new ATOM 845 N SER A 102 -13.049 2.260 0.275 1.00 0.34 N ATOM 846 CA SER A 102 -13.676 2.377 1.579 1.00 0.36 C ATOM 847 C SER A 102 -12.961 3.432 2.408 1.00 0.36 C ATOM 848 O SER A 102 -11.867 3.877 2.050 1.00 0.46 O ATOM 849 CB SER A 102 -13.639 1.032 2.307 1.00 0.40 C ATOM 850 OG SER A 102 -12.306 0.645 2.598 1.00 1.39 O ATOM 0 H SER A 102 -12.035 2.369 0.284 1.00 0.34 H new ATOM 0 HA SER A 102 -14.715 2.675 1.441 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.211 1.100 3.232 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.116 0.269 1.692 1.00 0.40 H new ATOM 0 HG SER A 102 -11.960 0.089 1.869 1.00 1.39 H new ATOM 856 N ALA A 103 -13.577 3.829 3.511 1.00 0.35 N ATOM 857 CA ALA A 103 -12.960 4.774 4.429 1.00 0.36 C ATOM 858 C ALA A 103 -11.865 4.087 5.211 1.00 0.29 C ATOM 859 O ALA A 103 -10.924 4.719 5.693 1.00 0.30 O ATOM 860 CB ALA A 103 -13.990 5.331 5.383 1.00 0.44 C ATOM 0 H ALA A 103 -14.504 3.511 3.792 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.535 5.594 3.851 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.512 6.036 6.063 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.770 5.843 4.819 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.432 4.517 5.957 1.00 0.44 H new ATOM 866 N GLU A 104 -12.007 2.779 5.328 1.00 0.29 N ATOM 867 CA GLU A 104 -11.048 1.961 6.033 1.00 0.30 C ATOM 868 C GLU A 104 -9.663 2.120 5.412 1.00 0.26 C ATOM 869 O GLU A 104 -8.715 2.538 6.074 1.00 0.30 O ATOM 870 CB GLU A 104 -11.488 0.498 5.976 1.00 0.39 C ATOM 871 CG GLU A 104 -10.538 -0.455 6.673 1.00 0.49 C ATOM 872 CD GLU A 104 -10.554 -0.299 8.179 1.00 1.02 C ATOM 873 OE1 GLU A 104 -9.855 0.593 8.700 1.00 1.81 O ATOM 874 OE2 GLU A 104 -11.265 -1.077 8.848 1.00 1.15 O ATOM 0 H GLU A 104 -12.791 2.258 4.936 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.999 2.281 7.074 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.475 0.408 6.429 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.587 0.199 4.933 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -10.804 -1.480 6.415 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.526 -0.286 6.305 1.00 0.49 H new ATOM 881 N PHE A 105 -9.571 1.825 4.118 1.00 0.22 N ATOM 882 CA PHE A 105 -8.306 1.911 3.395 1.00 0.20 C ATOM 883 C PHE A 105 -7.829 3.360 3.315 1.00 0.19 C ATOM 884 O PHE A 105 -6.631 3.623 3.193 1.00 0.16 O ATOM 885 CB PHE A 105 -8.460 1.312 1.992 1.00 0.21 C ATOM 886 CG PHE A 105 -7.165 1.204 1.235 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.075 0.574 1.808 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.035 1.731 -0.042 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.878 0.474 1.132 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.837 1.633 -0.729 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.758 1.005 -0.139 1.00 0.16 C ATOM 0 H PHE A 105 -10.361 1.523 3.547 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.554 1.338 3.937 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.905 0.320 2.077 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.155 1.925 1.419 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.163 0.154 2.799 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.878 2.223 -0.505 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.035 -0.018 1.594 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.747 2.046 -1.723 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.821 0.929 -0.670 1.00 0.16 H new ATOM 901 N CYS A 106 -8.770 4.295 3.405 1.00 0.27 N ATOM 902 CA CYS A 106 -8.444 5.716 3.416 1.00 0.27 C ATOM 903 C CYS A 106 -7.561 6.033 4.621 1.00 0.27 C ATOM 904 O CYS A 106 -6.573 6.758 4.507 1.00 0.28 O ATOM 905 CB CYS A 106 -9.724 6.559 3.446 1.00 0.29 C ATOM 906 SG CYS A 106 -9.449 8.348 3.490 1.00 0.59 S ATOM 0 H CYS A 106 -9.767 4.092 3.472 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.898 5.963 2.505 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.322 6.318 2.567 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.311 6.273 4.319 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.495 8.960 3.019 1.00 0.59 H new ATOM 912 N ASN A 107 -7.919 5.461 5.767 1.00 0.28 N ATOM 913 CA ASN A 107 -7.123 5.594 6.987 1.00 0.30 C ATOM 914 C ASN A 107 -5.748 4.999 6.786 1.00 0.24 C ATOM 915 O ASN A 107 -4.743 5.624 7.099 1.00 0.23 O ATOM 916 CB ASN A 107 -7.808 4.885 8.147 1.00 0.37 C ATOM 917 CG ASN A 107 -9.118 5.544 8.528 1.00 0.46 C ATOM 918 OD1 ASN A 107 -9.261 6.764 8.440 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.091 4.747 8.931 1.00 0.64 N ATOM 0 H ASN A 107 -8.761 4.897 5.878 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.029 6.655 7.216 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.992 3.845 7.877 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.142 4.878 9.010 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.999 5.138 9.182 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.934 3.741 8.991 1.00 0.64 H new ATOM 926 N ILE A 108 -5.722 3.789 6.244 1.00 0.21 N ATOM 927 CA ILE A 108 -4.478 3.087 5.970 1.00 0.17 C ATOM 928 C ILE A 108 -3.535 3.964 5.158 1.00 0.12 C ATOM 929 O ILE A 108 -2.394 4.200 5.552 1.00 0.12 O ATOM 930 CB ILE A 108 -4.758 1.768 5.214 1.00 0.17 C ATOM 931 CG1 ILE A 108 -5.015 0.623 6.192 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.634 1.417 4.255 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.345 0.728 6.894 1.00 0.39 C ATOM 0 H ILE A 108 -6.560 3.269 5.983 1.00 0.21 H new ATOM 0 HA ILE A 108 -4.002 2.852 6.922 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.658 1.920 4.619 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.970 -0.323 5.653 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.219 0.604 6.937 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.870 0.484 3.744 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.520 2.214 3.520 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.704 1.301 4.811 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.465 -0.115 7.574 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.385 1.659 7.460 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -7.148 0.717 6.157 1.00 0.39 H new ATOM 945 N LEU A 109 -4.034 4.461 4.040 1.00 0.12 N ATOM 946 CA LEU A 109 -3.260 5.315 3.161 1.00 0.12 C ATOM 947 C LEU A 109 -2.871 6.615 3.830 1.00 0.13 C ATOM 948 O LEU A 109 -1.695 6.963 3.872 1.00 0.13 O ATOM 949 CB LEU A 109 -4.053 5.600 1.908 1.00 0.15 C ATOM 950 CG LEU A 109 -3.881 4.554 0.832 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.953 4.697 -0.212 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.513 4.690 0.210 1.00 0.17 C ATOM 0 H LEU A 109 -4.985 4.284 3.718 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.339 4.788 2.910 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.110 5.674 2.166 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.753 6.570 1.511 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.971 3.563 1.277 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.816 3.937 -0.981 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.931 4.572 0.252 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.890 5.686 -0.665 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.390 3.935 -0.566 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.410 5.682 -0.229 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.750 4.551 0.976 1.00 0.17 H new ATOM 964 N SER A 110 -3.859 7.317 4.364 1.00 0.16 N ATOM 965 CA SER A 110 -3.625 8.590 5.028 1.00 0.20 C ATOM 966 C SER A 110 -2.555 8.426 6.105 1.00 0.19 C ATOM 967 O SER A 110 -1.704 9.293 6.297 1.00 0.22 O ATOM 968 CB SER A 110 -4.932 9.105 5.646 1.00 0.28 C ATOM 969 OG SER A 110 -4.823 10.460 6.052 1.00 1.18 O ATOM 0 H SER A 110 -4.836 7.024 4.350 1.00 0.16 H new ATOM 0 HA SER A 110 -3.275 9.317 4.296 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.741 9.006 4.922 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.196 8.488 6.505 1.00 0.28 H new ATOM 0 HG SER A 110 -5.674 10.755 6.439 1.00 1.18 H new ATOM 975 N ARG A 111 -2.595 7.289 6.786 1.00 0.18 N ATOM 976 CA ARG A 111 -1.668 7.000 7.856 1.00 0.19 C ATOM 977 C ARG A 111 -0.275 6.600 7.354 1.00 0.16 C ATOM 978 O ARG A 111 0.703 7.269 7.678 1.00 0.17 O ATOM 979 CB ARG A 111 -2.255 5.945 8.778 1.00 0.25 C ATOM 980 CG ARG A 111 -3.262 6.528 9.750 1.00 0.33 C ATOM 981 CD ARG A 111 -2.809 7.887 10.253 1.00 1.22 C ATOM 982 NE ARG A 111 -1.494 7.828 10.894 1.00 1.97 N ATOM 983 CZ ARG A 111 -0.657 8.863 10.997 1.00 2.79 C ATOM 984 NH1 ARG A 111 -1.018 10.068 10.568 1.00 3.10 N ATOM 985 NH2 ARG A 111 0.535 8.685 11.554 1.00 3.73 N ATOM 0 H ARG A 111 -3.272 6.547 6.608 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.522 7.922 8.419 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.736 5.170 8.181 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.451 5.465 9.335 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -4.232 6.622 9.262 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.394 5.850 10.593 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.774 8.588 9.419 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.541 8.272 10.963 1.00 1.22 H new ATOM 0 HE ARG A 111 -1.197 6.936 11.289 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -1.941 10.207 10.156 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -0.372 10.853 10.651 1.00 3.10 H new ATOM 0 HH21 ARG A 111 0.804 7.764 11.899 1.00 3.73 H new ATOM 0 HH22 ARG A 111 1.181 9.470 11.637 1.00 3.73 H new ATOM 999 N VAL A 112 -0.172 5.536 6.551 1.00 0.15 N ATOM 1000 CA VAL A 112 1.146 5.038 6.135 1.00 0.14 C ATOM 1001 C VAL A 112 1.858 6.018 5.214 1.00 0.14 C ATOM 1002 O VAL A 112 3.076 6.179 5.300 1.00 0.15 O ATOM 1003 CB VAL A 112 1.106 3.651 5.452 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.513 2.604 6.375 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.354 3.706 4.142 1.00 0.15 C ATOM 0 H VAL A 112 -0.965 5.012 6.182 1.00 0.15 H new ATOM 0 HA VAL A 112 1.701 4.933 7.067 1.00 0.14 H new ATOM 0 HB VAL A 112 2.134 3.362 5.233 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.497 1.639 5.868 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.119 2.530 7.278 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.504 2.889 6.643 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.344 2.716 3.687 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.670 4.033 4.324 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.845 4.409 3.470 1.00 0.15 H new ATOM 1015 N LEU A 113 1.110 6.683 4.338 1.00 0.15 N ATOM 1016 CA LEU A 113 1.687 7.654 3.449 1.00 0.16 C ATOM 1017 C LEU A 113 2.310 8.795 4.251 1.00 0.17 C ATOM 1018 O LEU A 113 3.459 9.171 4.022 1.00 0.20 O ATOM 1019 CB LEU A 113 0.605 8.155 2.490 1.00 0.16 C ATOM 1020 CG LEU A 113 0.679 9.625 2.132 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.877 9.899 1.236 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.610 10.071 1.469 1.00 0.27 C ATOM 0 H LEU A 113 0.103 6.558 4.234 1.00 0.15 H new ATOM 0 HA LEU A 113 2.484 7.200 2.861 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.661 7.572 1.571 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.370 7.956 2.935 1.00 0.16 H new ATOM 0 HG LEU A 113 0.808 10.201 3.049 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.912 10.960 0.990 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.792 9.616 1.756 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.786 9.317 0.319 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.542 11.129 1.217 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.771 9.491 0.560 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.444 9.913 2.153 1.00 0.27 H new ATOM 1034 N SER A 114 1.559 9.312 5.215 1.00 0.17 N ATOM 1035 CA SER A 114 2.036 10.397 6.056 1.00 0.21 C ATOM 1036 C SER A 114 3.185 9.911 6.940 1.00 0.18 C ATOM 1037 O SER A 114 4.152 10.637 7.178 1.00 0.20 O ATOM 1038 CB SER A 114 0.881 10.943 6.897 1.00 0.26 C ATOM 1039 OG SER A 114 1.261 12.101 7.624 1.00 1.06 O ATOM 0 H SER A 114 0.614 8.995 5.433 1.00 0.17 H new ATOM 0 HA SER A 114 2.415 11.204 5.429 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.039 11.182 6.247 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.541 10.174 7.590 1.00 0.26 H new ATOM 0 HG SER A 114 0.498 12.423 8.148 1.00 1.06 H new ATOM 1045 N ARG A 115 3.083 8.668 7.402 1.00 0.15 N ATOM 1046 CA ARG A 115 4.155 8.037 8.153 1.00 0.16 C ATOM 1047 C ARG A 115 5.453 8.032 7.355 1.00 0.15 C ATOM 1048 O ARG A 115 6.503 8.382 7.876 1.00 0.18 O ATOM 1049 CB ARG A 115 3.782 6.603 8.521 1.00 0.20 C ATOM 1050 CG ARG A 115 2.917 6.484 9.757 1.00 0.31 C ATOM 1051 CD ARG A 115 3.632 7.037 10.973 1.00 0.53 C ATOM 1052 NE ARG A 115 3.156 6.429 12.214 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.126 7.051 13.393 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.467 8.330 13.490 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.727 6.400 14.475 1.00 1.62 N ATOM 0 H ARG A 115 2.262 8.078 7.266 1.00 0.15 H new ATOM 0 HA ARG A 115 4.303 8.616 9.064 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.258 6.149 7.680 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.696 6.030 8.675 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.982 7.022 9.604 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.659 5.438 9.926 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.704 6.864 10.873 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.486 8.116 11.019 1.00 0.53 H new ATOM 0 HE ARG A 115 2.825 5.465 12.176 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.755 8.845 12.658 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.441 8.797 14.396 1.00 1.63 H new ATOM 0 HH21 ARG A 115 2.443 5.423 14.406 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.704 6.876 15.377 1.00 1.62 H new ATOM 1069 N ALA A 116 5.370 7.634 6.090 1.00 0.15 N ATOM 1070 CA ALA A 116 6.549 7.539 5.234 1.00 0.18 C ATOM 1071 C ALA A 116 7.074 8.916 4.835 1.00 0.21 C ATOM 1072 O ALA A 116 8.275 9.097 4.638 1.00 0.25 O ATOM 1073 CB ALA A 116 6.237 6.707 4.008 1.00 0.20 C ATOM 0 H ALA A 116 4.497 7.371 5.633 1.00 0.15 H new ATOM 0 HA ALA A 116 7.337 7.048 5.805 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.123 6.643 3.377 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.937 5.705 4.315 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.426 7.173 3.449 1.00 0.20 H new ATOM 1079 N ARG A 117 6.170 9.878 4.695 1.00 0.23 N ATOM 1080 CA ARG A 117 6.560 11.267 4.459 1.00 0.28 C ATOM 1081 C ARG A 117 7.333 11.806 5.658 1.00 0.29 C ATOM 1082 O ARG A 117 8.328 12.519 5.509 1.00 0.39 O ATOM 1083 CB ARG A 117 5.325 12.126 4.202 1.00 0.38 C ATOM 1084 CG ARG A 117 4.666 11.837 2.869 1.00 1.06 C ATOM 1085 CD ARG A 117 4.691 13.057 1.968 1.00 1.15 C ATOM 1086 NE ARG A 117 3.769 14.095 2.430 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.889 15.389 2.146 1.00 2.25 C ATOM 1088 NH1 ARG A 117 4.921 15.834 1.436 1.00 2.33 N ATOM 1089 NH2 ARG A 117 2.969 16.240 2.582 1.00 2.99 N ATOM 0 H ARG A 117 5.163 9.725 4.740 1.00 0.23 H new ATOM 0 HA ARG A 117 7.202 11.305 3.579 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.602 11.961 5.001 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.607 13.178 4.240 1.00 0.38 H new ATOM 0 HG2 ARG A 117 5.179 11.009 2.379 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.635 11.522 3.031 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.703 13.460 1.931 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.428 12.763 0.952 1.00 1.15 H new ATOM 0 HE ARG A 117 2.981 13.807 3.009 1.00 1.75 H new ATOM 0 HH11 ARG A 117 5.631 15.181 1.103 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.003 16.828 1.224 1.00 2.33 H new ATOM 0 HH21 ARG A 117 2.179 15.900 3.130 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.052 17.234 2.369 1.00 2.99 H new ATOM 1103 N SER A 118 6.857 11.448 6.842 1.00 0.28 N ATOM 1104 CA SER A 118 7.488 11.839 8.094 1.00 0.33 C ATOM 1105 C SER A 118 8.793 11.088 8.292 1.00 0.32 C ATOM 1106 O SER A 118 9.831 11.667 8.617 1.00 0.41 O ATOM 1107 CB SER A 118 6.542 11.523 9.250 1.00 0.38 C ATOM 1108 OG SER A 118 6.962 12.127 10.465 1.00 0.62 O ATOM 0 H SER A 118 6.020 10.877 6.962 1.00 0.28 H new ATOM 0 HA SER A 118 7.701 12.907 8.064 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.539 11.869 9.002 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.483 10.443 9.384 1.00 0.38 H new ATOM 0 HG SER A 118 6.329 11.902 11.178 1.00 0.62 H new ATOM 1114 N ARG A 119 8.711 9.791 8.100 1.00 0.26 N ATOM 1115 CA ARG A 119 9.833 8.884 8.306 1.00 0.28 C ATOM 1116 C ARG A 119 10.207 8.155 7.016 1.00 0.26 C ATOM 1117 O ARG A 119 9.856 6.989 6.825 1.00 0.25 O ATOM 1118 CB ARG A 119 9.481 7.859 9.389 1.00 0.33 C ATOM 1119 CG ARG A 119 9.138 8.480 10.732 1.00 0.47 C ATOM 1120 CD ARG A 119 10.337 9.191 11.323 1.00 1.28 C ATOM 1121 NE ARG A 119 10.020 9.873 12.577 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.894 10.045 13.567 1.00 2.39 C ATOM 1123 NH1 ARG A 119 12.134 9.590 13.449 1.00 3.26 N ATOM 1124 NH2 ARG A 119 10.529 10.681 14.670 1.00 2.60 N ATOM 0 H ARG A 119 7.857 9.325 7.793 1.00 0.26 H new ATOM 0 HA ARG A 119 10.690 9.479 8.622 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.635 7.261 9.049 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.322 7.178 9.518 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.316 9.185 10.611 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.795 7.705 11.418 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.134 8.469 11.497 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.716 9.917 10.604 1.00 1.28 H new ATOM 0 HE ARG A 119 9.076 10.238 12.701 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.421 9.107 12.598 1.00 3.26 H new ATOM 0 HH12 ARG A 119 12.801 9.724 14.209 1.00 3.26 H new ATOM 0 HH21 ARG A 119 9.578 11.039 14.761 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.199 10.813 15.428 1.00 2.60 H new ATOM 1138 N PRO A 120 10.940 8.835 6.121 1.00 0.29 N ATOM 1139 CA PRO A 120 11.438 8.244 4.871 1.00 0.30 C ATOM 1140 C PRO A 120 12.315 7.025 5.129 1.00 0.27 C ATOM 1141 O PRO A 120 12.365 6.090 4.329 1.00 0.28 O ATOM 1142 CB PRO A 120 12.282 9.367 4.259 1.00 0.37 C ATOM 1143 CG PRO A 120 12.560 10.300 5.384 1.00 0.38 C ATOM 1144 CD PRO A 120 11.345 10.239 6.248 1.00 0.35 C ATOM 0 HA PRO A 120 10.626 7.899 4.231 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.206 8.978 3.832 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.746 9.869 3.454 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.451 9.999 5.935 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.736 11.313 5.022 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.567 10.506 7.281 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.566 10.919 5.903 1.00 0.35 H new ATOM 1152 N ALA A 121 12.987 7.051 6.273 1.00 0.25 N ATOM 1153 CA ALA A 121 13.912 6.002 6.675 1.00 0.28 C ATOM 1154 C ALA A 121 13.234 4.634 6.736 1.00 0.27 C ATOM 1155 O ALA A 121 13.865 3.605 6.495 1.00 0.35 O ATOM 1156 CB ALA A 121 14.512 6.358 8.023 1.00 0.33 C ATOM 0 H ALA A 121 12.904 7.807 6.952 1.00 0.25 H new ATOM 0 HA ALA A 121 14.700 5.933 5.925 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.206 5.576 8.330 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.045 7.306 7.945 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.717 6.448 8.763 1.00 0.33 H new ATOM 1162 N LYS A 122 11.946 4.626 7.055 1.00 0.22 N ATOM 1163 CA LYS A 122 11.203 3.382 7.156 1.00 0.27 C ATOM 1164 C LYS A 122 10.008 3.396 6.222 1.00 0.19 C ATOM 1165 O LYS A 122 9.021 2.695 6.447 1.00 0.18 O ATOM 1166 CB LYS A 122 10.777 3.125 8.604 1.00 0.39 C ATOM 1167 CG LYS A 122 11.960 2.835 9.509 1.00 0.49 C ATOM 1168 CD LYS A 122 12.009 1.378 9.942 1.00 0.66 C ATOM 1169 CE LYS A 122 11.062 1.102 11.099 1.00 1.28 C ATOM 1170 NZ LYS A 122 11.419 -0.151 11.810 1.00 1.79 N ATOM 0 H LYS A 122 11.398 5.465 7.247 1.00 0.22 H new ATOM 0 HA LYS A 122 11.854 2.563 6.850 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.238 3.994 8.982 1.00 0.39 H new ATOM 0 HB3 LYS A 122 10.085 2.283 8.633 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.884 3.089 8.989 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.905 3.473 10.391 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.748 0.739 9.098 1.00 0.66 H new ATOM 0 HD3 LYS A 122 13.027 1.120 10.235 1.00 0.66 H new ATOM 0 HE2 LYS A 122 11.088 1.938 11.798 1.00 1.28 H new ATOM 0 HE3 LYS A 122 10.041 1.030 10.725 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 10.752 -0.308 12.593 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 11.370 -0.952 11.148 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.385 -0.073 12.188 1.00 1.79 H new ATOM 1184 N LEU A 123 10.124 4.193 5.159 1.00 0.17 N ATOM 1185 CA LEU A 123 9.154 4.219 4.080 1.00 0.14 C ATOM 1186 C LEU A 123 8.814 2.811 3.620 1.00 0.12 C ATOM 1187 O LEU A 123 7.660 2.502 3.336 1.00 0.12 O ATOM 1188 CB LEU A 123 9.737 5.000 2.912 1.00 0.16 C ATOM 1189 CG LEU A 123 9.062 4.760 1.573 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.877 5.679 1.392 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.061 4.945 0.465 1.00 0.21 C ATOM 0 H LEU A 123 10.901 4.840 5.028 1.00 0.17 H new ATOM 0 HA LEU A 123 8.241 4.694 4.440 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.682 6.064 3.143 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.793 4.748 2.819 1.00 0.16 H new ATOM 0 HG LEU A 123 8.689 3.736 1.544 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.412 5.487 0.425 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.152 5.499 2.186 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.211 6.716 1.434 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.575 4.772 -0.495 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.454 5.961 0.495 1.00 0.21 H new ATOM 0 HD23 LEU A 123 10.879 4.236 0.590 1.00 0.21 H new ATOM 1203 N TYR A 124 9.829 1.954 3.573 1.00 0.13 N ATOM 1204 CA TYR A 124 9.657 0.597 3.090 1.00 0.13 C ATOM 1205 C TYR A 124 8.688 -0.169 3.960 1.00 0.13 C ATOM 1206 O TYR A 124 7.877 -0.916 3.453 1.00 0.14 O ATOM 1207 CB TYR A 124 10.990 -0.135 3.017 1.00 0.14 C ATOM 1208 CG TYR A 124 11.802 0.202 1.803 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.717 1.245 1.801 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.656 -0.544 0.654 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.462 1.530 0.673 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.389 -0.273 -0.464 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.295 0.761 -0.461 1.00 0.24 C ATOM 1214 OH TYR A 124 14.033 1.024 -1.593 1.00 0.31 O ATOM 0 H TYR A 124 10.780 2.180 3.865 1.00 0.13 H new ATOM 0 HA TYR A 124 9.244 0.658 2.083 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.572 0.100 3.908 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.805 -1.209 3.032 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.848 1.841 2.692 1.00 0.22 H new ATOM 0 HD2 TYR A 124 10.948 -1.359 0.638 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.168 2.347 0.678 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.257 -0.872 -1.353 1.00 0.19 H new ATOM 0 HH TYR A 124 13.791 0.387 -2.297 1.00 0.31 H new ATOM 1224 N VAL A 125 8.756 0.031 5.266 1.00 0.13 N ATOM 1225 CA VAL A 125 7.823 -0.623 6.176 1.00 0.14 C ATOM 1226 C VAL A 125 6.386 -0.241 5.851 1.00 0.12 C ATOM 1227 O VAL A 125 5.488 -1.075 5.896 1.00 0.14 O ATOM 1228 CB VAL A 125 8.145 -0.279 7.639 1.00 0.18 C ATOM 1229 CG1 VAL A 125 7.055 -0.773 8.582 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.494 -0.870 7.996 1.00 0.23 C ATOM 0 H VAL A 125 9.441 0.636 5.720 1.00 0.13 H new ATOM 0 HA VAL A 125 7.934 -1.699 6.043 1.00 0.14 H new ATOM 0 HB VAL A 125 8.185 0.804 7.751 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.316 -0.513 9.608 1.00 0.19 H new ATOM 0 HG12 VAL A 125 6.106 -0.305 8.319 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.962 -1.856 8.495 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.733 -0.632 9.033 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.462 -1.952 7.870 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.259 -0.452 7.342 1.00 0.23 H new ATOM 1240 N TYR A 126 6.185 1.013 5.500 1.00 0.11 N ATOM 1241 CA TYR A 126 4.866 1.504 5.135 1.00 0.11 C ATOM 1242 C TYR A 126 4.490 1.005 3.745 1.00 0.10 C ATOM 1243 O TYR A 126 3.324 0.746 3.464 1.00 0.11 O ATOM 1244 CB TYR A 126 4.855 3.025 5.233 1.00 0.12 C ATOM 1245 CG TYR A 126 5.405 3.487 6.559 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.908 2.961 7.743 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.445 4.403 6.631 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.426 3.339 8.963 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.974 4.783 7.847 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.462 4.248 9.010 1.00 0.20 C ATOM 1251 OH TYR A 126 6.992 4.615 10.226 1.00 0.25 O ATOM 0 H TYR A 126 6.922 1.717 5.459 1.00 0.11 H new ATOM 0 HA TYR A 126 4.113 1.120 5.823 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.447 3.449 4.422 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.836 3.393 5.110 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.102 2.243 7.708 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.846 4.825 5.721 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.023 2.926 9.876 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.785 5.496 7.888 1.00 0.20 H new ATOM 0 HH TYR A 126 7.715 5.262 10.086 1.00 0.25 H new ATOM 1261 N ILE A 127 5.499 0.866 2.889 1.00 0.11 N ATOM 1262 CA ILE A 127 5.355 0.169 1.612 1.00 0.11 C ATOM 1263 C ILE A 127 4.890 -1.264 1.861 1.00 0.11 C ATOM 1264 O ILE A 127 3.909 -1.730 1.283 1.00 0.11 O ATOM 1265 CB ILE A 127 6.706 0.147 0.851 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.044 1.546 0.340 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.674 -0.845 -0.295 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.513 1.759 0.062 1.00 0.11 C ATOM 0 H ILE A 127 6.436 1.231 3.059 1.00 0.11 H new ATOM 0 HA ILE A 127 4.618 0.697 1.007 1.00 0.11 H new ATOM 0 HB ILE A 127 7.483 -0.172 1.546 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.481 1.734 -0.574 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.713 2.280 1.075 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.635 -0.838 -0.809 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.478 -1.844 0.094 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.886 -0.567 -0.995 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.672 2.776 -0.297 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.083 1.605 0.978 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.846 1.050 -0.696 1.00 0.11 H new ATOM 1280 N ASN A 128 5.619 -1.940 2.742 1.00 0.12 N ATOM 1281 CA ASN A 128 5.317 -3.290 3.176 1.00 0.14 C ATOM 1282 C ASN A 128 3.898 -3.383 3.715 1.00 0.14 C ATOM 1283 O ASN A 128 3.116 -4.230 3.283 1.00 0.16 O ATOM 1284 CB ASN A 128 6.300 -3.709 4.275 1.00 0.20 C ATOM 1285 CG ASN A 128 7.698 -4.045 3.780 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.403 -4.840 4.390 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.113 -3.443 2.685 1.00 0.26 N ATOM 0 H ASN A 128 6.454 -1.552 3.181 1.00 0.12 H new ATOM 0 HA ASN A 128 5.410 -3.954 2.317 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.372 -2.904 5.006 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.895 -4.577 4.795 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.047 -3.633 2.321 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.501 -2.786 2.201 1.00 0.26 H new ATOM 1294 N GLU A 129 3.576 -2.506 4.667 1.00 0.13 N ATOM 1295 CA GLU A 129 2.249 -2.477 5.262 1.00 0.16 C ATOM 1296 C GLU A 129 1.200 -2.312 4.199 1.00 0.15 C ATOM 1297 O GLU A 129 0.383 -3.189 3.998 1.00 0.17 O ATOM 1298 CB GLU A 129 2.108 -1.334 6.264 1.00 0.23 C ATOM 1299 CG GLU A 129 2.852 -1.574 7.552 1.00 0.29 C ATOM 1300 CD GLU A 129 2.424 -0.642 8.671 1.00 0.60 C ATOM 1301 OE1 GLU A 129 2.075 0.521 8.373 1.00 1.03 O ATOM 1302 OE2 GLU A 129 2.442 -1.055 9.848 1.00 0.90 O ATOM 0 H GLU A 129 4.220 -1.808 5.039 1.00 0.13 H new ATOM 0 HA GLU A 129 2.111 -3.425 5.782 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.473 -0.414 5.808 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.052 -1.183 6.486 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.696 -2.606 7.867 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.921 -1.452 7.375 1.00 0.29 H new ATOM 1309 N LEU A 130 1.271 -1.197 3.502 1.00 0.14 N ATOM 1310 CA LEU A 130 0.312 -0.856 2.465 1.00 0.15 C ATOM 1311 C LEU A 130 0.125 -2.007 1.478 1.00 0.15 C ATOM 1312 O LEU A 130 -0.997 -2.323 1.093 1.00 0.18 O ATOM 1313 CB LEU A 130 0.811 0.397 1.756 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.181 1.098 0.844 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.517 1.304 1.548 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.409 2.427 0.410 1.00 0.12 C ATOM 0 H LEU A 130 1.999 -0.496 3.638 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.664 -0.669 2.914 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.141 1.109 2.513 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.687 0.129 1.166 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.368 0.478 -0.033 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.210 1.808 0.874 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.929 0.337 1.836 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.369 1.915 2.439 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.294 2.940 -0.246 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.603 3.043 1.288 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.343 2.253 -0.124 1.00 0.12 H new ATOM 1328 N CYS A 131 1.222 -2.650 1.101 1.00 0.14 N ATOM 1329 CA CYS A 131 1.175 -3.790 0.194 1.00 0.17 C ATOM 1330 C CYS A 131 0.433 -4.973 0.821 1.00 0.18 C ATOM 1331 O CYS A 131 -0.472 -5.543 0.209 1.00 0.21 O ATOM 1332 CB CYS A 131 2.599 -4.200 -0.197 1.00 0.20 C ATOM 1333 SG CYS A 131 2.705 -5.700 -1.204 1.00 0.53 S ATOM 0 H CYS A 131 2.161 -2.400 1.411 1.00 0.14 H new ATOM 0 HA CYS A 131 0.626 -3.493 -0.700 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.062 -3.378 -0.744 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.183 -4.347 0.712 1.00 0.20 H new ATOM 0 HG CYS A 131 3.570 -5.522 -2.158 1.00 0.53 H new ATOM 1339 N THR A 132 0.805 -5.332 2.043 1.00 0.19 N ATOM 1340 CA THR A 132 0.180 -6.454 2.727 1.00 0.23 C ATOM 1341 C THR A 132 -1.263 -6.114 3.068 1.00 0.21 C ATOM 1342 O THR A 132 -2.159 -6.946 2.959 1.00 0.22 O ATOM 1343 CB THR A 132 0.947 -6.807 4.010 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.340 -6.959 3.709 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.416 -8.092 4.629 1.00 0.36 C ATOM 0 H THR A 132 1.535 -4.863 2.579 1.00 0.19 H new ATOM 0 HA THR A 132 0.202 -7.317 2.062 1.00 0.23 H new ATOM 0 HB THR A 132 0.808 -5.998 4.727 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.742 -6.077 3.568 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.977 -8.318 5.536 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.638 -7.968 4.876 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.528 -8.911 3.919 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.459 -4.860 3.437 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.763 -4.302 3.749 1.00 0.17 C ATOM 1355 C VAL A 133 -3.740 -4.564 2.618 1.00 0.18 C ATOM 1356 O VAL A 133 -4.888 -4.961 2.847 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.627 -2.776 3.986 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.933 -2.045 3.744 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.109 -2.491 5.392 1.00 0.18 C ATOM 0 H VAL A 133 -0.699 -4.186 3.530 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.145 -4.780 4.651 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.903 -2.401 3.262 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.792 -0.979 3.922 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.252 -2.202 2.714 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.695 -2.428 4.422 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.021 -1.414 5.536 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.804 -2.900 6.126 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.131 -2.955 5.520 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.261 -4.365 1.401 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.069 -4.560 0.218 1.00 0.20 C ATOM 1371 C LEU A 134 -4.616 -5.979 0.156 1.00 0.23 C ATOM 1372 O LEU A 134 -5.815 -6.178 0.061 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.233 -4.260 -1.028 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.757 -2.814 -1.131 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.779 -2.625 -2.272 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.937 -1.893 -1.303 1.00 0.20 C ATOM 0 H LEU A 134 -2.305 -4.065 1.210 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.917 -3.876 0.260 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.364 -4.918 -1.035 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.822 -4.500 -1.913 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.237 -2.569 -0.205 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.464 -1.582 -2.312 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.908 -3.262 -2.114 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.260 -2.895 -3.212 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.587 -0.863 -1.376 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.476 -2.158 -2.213 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.603 -1.990 -0.445 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.746 -6.963 0.248 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.169 -8.347 0.110 1.00 0.29 C ATOM 1390 C LYS A 135 -4.749 -8.924 1.390 1.00 0.30 C ATOM 1391 O LYS A 135 -5.534 -9.872 1.349 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.047 -9.207 -0.434 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.014 -9.190 -1.950 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.357 -9.619 -2.539 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.442 -11.128 -2.747 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.223 -11.902 -1.494 1.00 1.59 N ATOM 0 H LYS A 135 -2.748 -6.835 0.416 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.983 -8.353 -0.615 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.093 -8.850 -0.045 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.171 -10.232 -0.084 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.765 -8.188 -2.299 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.229 -9.856 -2.306 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -5.161 -9.300 -1.875 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.511 -9.114 -3.492 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.421 -11.378 -3.155 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.701 -11.429 -3.488 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.599 -12.865 -1.610 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -3.204 -11.951 -1.290 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.712 -11.432 -0.706 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.329 -8.393 2.521 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.853 -8.832 3.805 1.00 0.30 C ATOM 1412 C ALA A 136 -6.365 -8.663 3.851 1.00 0.31 C ATOM 1413 O ALA A 136 -7.087 -9.584 4.237 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.210 -8.057 4.946 1.00 0.33 C ATOM 0 H ALA A 136 -3.626 -7.656 2.580 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.612 -9.888 3.923 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.618 -8.403 5.896 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.132 -8.218 4.933 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.419 -6.994 4.827 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.839 -7.498 3.421 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.242 -7.156 3.561 1.00 0.35 C ATOM 1422 C HIS A 137 -8.990 -7.206 2.234 1.00 0.35 C ATOM 1423 O HIS A 137 -10.213 -7.064 2.201 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.376 -5.771 4.182 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.556 -5.583 5.419 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.813 -6.237 6.599 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.446 -4.839 5.638 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.903 -5.901 7.494 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.060 -5.050 6.937 1.00 0.49 N ATOM 0 H HIS A 137 -6.270 -6.779 2.974 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.695 -7.903 4.213 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.083 -5.023 3.446 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.424 -5.590 4.421 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.955 -4.197 4.921 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.856 -6.261 8.511 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.256 -4.621 7.396 1.00 0.49 H new ATOM 1438 N SER A 138 -8.269 -7.412 1.146 1.00 0.31 N ATOM 1439 CA SER A 138 -8.882 -7.427 -0.174 1.00 0.33 C ATOM 1440 C SER A 138 -8.476 -8.682 -0.927 1.00 0.55 C ATOM 1441 O SER A 138 -7.354 -9.171 -0.780 1.00 1.05 O ATOM 1442 CB SER A 138 -8.471 -6.196 -0.974 1.00 0.38 C ATOM 1443 OG SER A 138 -8.235 -5.097 -0.128 1.00 1.00 O ATOM 0 H SER A 138 -7.261 -7.571 1.148 1.00 0.31 H new ATOM 0 HA SER A 138 -9.964 -7.417 -0.046 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.571 -6.416 -1.549 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.254 -5.946 -1.690 1.00 0.38 H new ATOM 0 HG SER A 138 -7.309 -5.123 0.191 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.399 -9.180 -1.735 1.00 0.38 N ATOM 1450 CA ALA A 139 -9.205 -10.397 -2.508 1.00 0.60 C ATOM 1451 C ALA A 139 -8.873 -11.555 -1.580 1.00 1.01 C ATOM 1452 O ALA A 139 -7.986 -12.372 -1.842 1.00 1.45 O ATOM 1453 CB ALA A 139 -8.143 -10.187 -3.567 1.00 1.41 C ATOM 0 H ALA A 139 -10.312 -8.747 -1.874 1.00 0.38 H new ATOM 0 HA ALA A 139 -10.129 -10.648 -3.028 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -8.010 -11.107 -4.136 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.452 -9.386 -4.239 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -7.201 -9.917 -3.089 1.00 1.41 H new ATOM 1459 N LYS A 140 -9.608 -11.589 -0.486 1.00 1.55 N ATOM 1460 CA LYS A 140 -9.464 -12.610 0.540 1.00 2.37 C ATOM 1461 C LYS A 140 -10.815 -13.279 0.742 1.00 2.97 C ATOM 1462 O LYS A 140 -10.935 -14.343 1.352 1.00 3.60 O ATOM 1463 CB LYS A 140 -8.980 -11.965 1.845 1.00 2.91 C ATOM 1464 CG LYS A 140 -8.718 -12.950 2.979 1.00 3.65 C ATOM 1465 CD LYS A 140 -7.564 -13.892 2.663 1.00 4.31 C ATOM 1466 CE LYS A 140 -6.265 -13.136 2.434 1.00 5.16 C ATOM 1467 NZ LYS A 140 -5.935 -12.232 3.568 1.00 5.98 N ATOM 0 H LYS A 140 -10.332 -10.901 -0.279 1.00 1.55 H new ATOM 0 HA LYS A 140 -8.730 -13.356 0.236 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -8.063 -11.411 1.643 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -9.724 -11.240 2.175 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -8.496 -12.399 3.893 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -9.620 -13.532 3.169 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -7.435 -14.597 3.484 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -7.805 -14.478 1.776 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -5.452 -13.848 2.291 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -6.343 -12.552 1.517 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -4.928 -11.975 3.526 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -6.515 -11.371 3.506 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -6.131 -12.717 4.467 1.00 5.98 H new ATOM 1481 N LYS A 141 -11.833 -12.619 0.219 1.00 3.06 N ATOM 1482 CA LYS A 141 -13.179 -13.117 0.243 1.00 3.93 C ATOM 1483 C LYS A 141 -13.376 -14.149 -0.863 1.00 4.23 C ATOM 1484 O LYS A 141 -13.346 -15.351 -0.603 1.00 4.43 O ATOM 1485 CB LYS A 141 -14.124 -11.945 0.079 1.00 4.13 C ATOM 1486 CG LYS A 141 -15.577 -12.340 0.078 1.00 5.03 C ATOM 1487 CD LYS A 141 -16.003 -12.860 1.439 1.00 5.51 C ATOM 1488 CE LYS A 141 -17.512 -12.974 1.556 1.00 6.31 C ATOM 1489 NZ LYS A 141 -17.913 -13.546 2.866 1.00 6.50 N ATOM 0 H LYS A 141 -11.737 -11.712 -0.238 1.00 3.06 H new ATOM 0 HA LYS A 141 -13.385 -13.613 1.192 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -13.950 -11.233 0.885 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -13.895 -11.432 -0.855 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -16.190 -11.481 -0.195 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -15.748 -13.107 -0.678 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -15.551 -13.837 1.612 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -15.628 -12.193 2.216 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -17.963 -11.989 1.434 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -17.894 -13.602 0.751 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -18.950 -13.611 2.914 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -17.502 -14.495 2.971 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -17.569 -12.933 3.632 1.00 6.50 H new ATOM 1503 N LYS A 142 -13.539 -13.658 -2.092 1.00 4.72 N ATOM 1504 CA LYS A 142 -13.699 -14.493 -3.275 1.00 5.36 C ATOM 1505 C LYS A 142 -14.781 -15.556 -3.093 1.00 5.84 C ATOM 1506 O LYS A 142 -14.507 -16.680 -2.668 1.00 6.44 O ATOM 1507 CB LYS A 142 -12.372 -15.143 -3.656 1.00 6.09 C ATOM 1508 CG LYS A 142 -12.248 -15.355 -5.147 1.00 6.27 C ATOM 1509 CD LYS A 142 -12.325 -14.032 -5.878 1.00 6.25 C ATOM 1510 CE LYS A 142 -12.591 -14.236 -7.359 1.00 7.00 C ATOM 1511 NZ LYS A 142 -12.654 -12.947 -8.098 1.00 7.51 N ATOM 0 H LYS A 142 -13.563 -12.658 -2.292 1.00 4.72 H new ATOM 0 HA LYS A 142 -14.022 -13.840 -4.086 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -11.550 -14.516 -3.310 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -12.279 -16.101 -3.145 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -11.302 -15.848 -5.373 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -13.042 -16.016 -5.494 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -13.116 -13.420 -5.445 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -11.391 -13.486 -5.746 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -11.806 -14.860 -7.785 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -13.530 -14.774 -7.488 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -12.837 -13.133 -9.105 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -13.420 -12.361 -7.709 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -11.749 -12.445 -7.998 1.00 7.51 H new ATOM 1525 N LEU A 143 -16.008 -15.190 -3.433 1.00 5.94 N ATOM 1526 CA LEU A 143 -17.135 -16.074 -3.344 1.00 6.75 C ATOM 1527 C LEU A 143 -16.982 -17.255 -4.300 1.00 7.48 C ATOM 1528 O LEU A 143 -17.531 -18.334 -4.076 1.00 8.28 O ATOM 1529 CB LEU A 143 -18.392 -15.287 -3.685 1.00 7.07 C ATOM 1530 CG LEU A 143 -19.666 -16.101 -3.681 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -20.003 -16.543 -2.267 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -20.811 -15.315 -4.297 1.00 7.50 C ATOM 0 H LEU A 143 -16.240 -14.259 -3.781 1.00 5.94 H new ATOM 0 HA LEU A 143 -17.201 -16.473 -2.332 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -18.497 -14.469 -2.972 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -18.267 -14.837 -4.670 1.00 7.07 H new ATOM 0 HG LEU A 143 -19.511 -16.992 -4.290 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -20.923 -17.128 -2.278 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -19.190 -17.152 -1.873 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -20.139 -15.666 -1.634 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -21.717 -15.921 -4.283 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -20.976 -14.403 -3.724 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -20.563 -15.057 -5.327 1.00 7.50 H new ATOM 1544 N ASN A 144 -16.233 -17.033 -5.368 1.00 7.45 N ATOM 1545 CA ASN A 144 -16.059 -18.023 -6.411 1.00 8.37 C ATOM 1546 C ASN A 144 -14.872 -18.923 -6.101 1.00 8.41 C ATOM 1547 O ASN A 144 -15.086 -20.113 -5.796 1.00 8.66 O ATOM 1548 CB ASN A 144 -15.865 -17.327 -7.759 1.00 8.96 C ATOM 1549 CG ASN A 144 -17.008 -16.385 -8.101 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -16.805 -15.355 -8.745 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -18.217 -16.723 -7.672 1.00 8.96 N ATOM 1552 OXT ASN A 144 -13.725 -18.431 -6.139 1.00 8.44 O ATOM 0 H ASN A 144 -15.730 -16.161 -5.533 1.00 7.45 H new ATOM 0 HA ASN A 144 -16.953 -18.645 -6.459 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -14.930 -16.767 -7.743 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -15.773 -18.079 -8.542 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -19.016 -16.122 -7.873 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -18.347 -17.584 -7.141 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 -1.978 -19.863 5.388 1.00 6.31 N ATOM 1561 CA GLY B 22 -2.083 -19.915 3.912 1.00 6.12 C ATOM 1562 C GLY B 22 -2.628 -18.627 3.327 1.00 5.43 C ATOM 1563 O GLY B 22 -3.314 -17.870 4.019 1.00 5.38 O ATOM 0 HA2 GLY B 22 -1.100 -20.117 3.487 1.00 6.12 H new ATOM 0 HA3 GLY B 22 -2.730 -20.744 3.625 1.00 6.12 H new ATOM 1569 N SER B 23 -2.304 -18.381 2.056 1.00 5.22 N ATOM 1570 CA SER B 23 -2.772 -17.203 1.322 1.00 4.79 C ATOM 1571 C SER B 23 -2.356 -15.894 1.992 1.00 4.18 C ATOM 1572 O SER B 23 -3.009 -14.863 1.829 1.00 4.62 O ATOM 1573 CB SER B 23 -4.289 -17.261 1.137 1.00 5.71 C ATOM 1574 OG SER B 23 -4.651 -18.410 0.389 1.00 6.30 O ATOM 0 H SER B 23 -1.707 -18.996 1.504 1.00 5.22 H new ATOM 0 HA SER B 23 -2.293 -17.220 0.343 1.00 4.79 H new ATOM 0 HB2 SER B 23 -4.780 -17.283 2.110 1.00 5.71 H new ATOM 0 HB3 SER B 23 -4.634 -16.362 0.626 1.00 5.71 H new ATOM 0 HG SER B 23 -5.625 -18.436 0.279 1.00 6.30 H new ATOM 1580 N GLN B 24 -1.271 -15.946 2.749 1.00 3.65 N ATOM 1581 CA GLN B 24 -0.703 -14.751 3.347 1.00 3.63 C ATOM 1582 C GLN B 24 0.329 -14.145 2.412 1.00 2.91 C ATOM 1583 O GLN B 24 0.730 -12.987 2.570 1.00 3.33 O ATOM 1584 CB GLN B 24 -0.061 -15.082 4.691 1.00 4.12 C ATOM 1585 CG GLN B 24 -1.028 -15.649 5.699 1.00 4.90 C ATOM 1586 CD GLN B 24 -2.045 -14.645 6.202 1.00 5.51 C ATOM 1587 OE1 GLN B 24 -2.443 -13.718 5.498 1.00 5.87 O ATOM 1588 NE2 GLN B 24 -2.478 -14.835 7.433 1.00 6.00 N ATOM 0 H GLN B 24 -0.766 -16.806 2.963 1.00 3.65 H new ATOM 0 HA GLN B 24 -1.502 -14.029 3.512 1.00 3.63 H new ATOM 0 HB2 GLN B 24 0.746 -15.797 4.532 1.00 4.12 H new ATOM 0 HB3 GLN B 24 0.390 -14.178 5.101 1.00 4.12 H new ATOM 0 HG2 GLN B 24 -1.554 -16.491 5.250 1.00 4.90 H new ATOM 0 HG3 GLN B 24 -0.466 -16.040 6.548 1.00 4.90 H new ATOM 0 HE21 GLN B 24 -2.122 -15.616 7.984 1.00 6.00 H new ATOM 0 HE22 GLN B 24 -3.169 -14.201 7.834 1.00 6.00 H new ATOM 1597 N GLU B 25 0.745 -14.955 1.434 1.00 2.35 N ATOM 1598 CA GLU B 25 1.771 -14.580 0.484 1.00 2.01 C ATOM 1599 C GLU B 25 3.065 -14.252 1.228 1.00 1.56 C ATOM 1600 O GLU B 25 3.267 -14.743 2.341 1.00 1.77 O ATOM 1601 CB GLU B 25 1.261 -13.428 -0.376 1.00 2.30 C ATOM 1602 CG GLU B 25 -0.046 -13.775 -1.079 1.00 2.88 C ATOM 1603 CD GLU B 25 -0.716 -12.588 -1.737 1.00 3.50 C ATOM 1604 OE1 GLU B 25 -0.347 -12.251 -2.880 1.00 3.84 O ATOM 1605 OE2 GLU B 25 -1.630 -11.999 -1.120 1.00 4.06 O ATOM 0 H GLU B 25 0.371 -15.892 1.287 1.00 2.35 H new ATOM 0 HA GLU B 25 1.999 -15.406 -0.189 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.114 -12.547 0.249 1.00 2.30 H new ATOM 0 HB3 GLU B 25 2.015 -13.169 -1.119 1.00 2.30 H new ATOM 0 HG2 GLU B 25 0.149 -14.536 -1.835 1.00 2.88 H new ATOM 0 HG3 GLU B 25 -0.733 -14.213 -0.355 1.00 2.88 H new ATOM 1612 N ASP B 26 3.953 -13.466 0.646 1.00 1.15 N ATOM 1613 CA ASP B 26 5.203 -13.163 1.331 1.00 0.84 C ATOM 1614 C ASP B 26 5.034 -11.949 2.242 1.00 0.89 C ATOM 1615 O ASP B 26 5.865 -11.693 3.105 1.00 1.83 O ATOM 1616 CB ASP B 26 6.346 -12.933 0.341 1.00 0.68 C ATOM 1617 CG ASP B 26 7.691 -13.355 0.904 1.00 1.00 C ATOM 1618 OD1 ASP B 26 8.273 -12.601 1.706 1.00 1.27 O ATOM 1619 OD2 ASP B 26 8.171 -14.451 0.539 1.00 1.49 O ATOM 0 H ASP B 26 3.841 -13.035 -0.272 1.00 1.15 H new ATOM 0 HA ASP B 26 5.462 -14.028 1.942 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.148 -13.490 -0.575 1.00 0.68 H new ATOM 0 HB3 ASP B 26 6.383 -11.878 0.071 1.00 0.68 H new ATOM 1624 N SER B 27 3.924 -11.232 2.064 1.00 0.55 N ATOM 1625 CA SER B 27 3.603 -10.068 2.871 1.00 0.54 C ATOM 1626 C SER B 27 4.701 -8.993 2.786 1.00 0.44 C ATOM 1627 O SER B 27 5.248 -8.744 1.709 1.00 0.53 O ATOM 1628 CB SER B 27 3.382 -10.511 4.307 1.00 0.75 C ATOM 1629 OG SER B 27 2.496 -11.621 4.378 1.00 1.37 O ATOM 0 H SER B 27 3.225 -11.447 1.353 1.00 0.55 H new ATOM 0 HA SER B 27 2.691 -9.612 2.485 1.00 0.54 H new ATOM 0 HB2 SER B 27 4.338 -10.777 4.758 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.976 -9.682 4.887 1.00 0.75 H new ATOM 0 HG SER B 27 2.001 -11.699 3.536 1.00 1.37 H new ATOM 1635 N ASP B 28 5.000 -8.357 3.922 1.00 0.43 N ATOM 1636 CA ASP B 28 5.979 -7.266 3.990 1.00 0.37 C ATOM 1637 C ASP B 28 7.313 -7.681 3.385 1.00 0.33 C ATOM 1638 O ASP B 28 7.917 -6.935 2.615 1.00 0.31 O ATOM 1639 CB ASP B 28 6.190 -6.827 5.453 1.00 0.44 C ATOM 1640 CG ASP B 28 4.888 -6.519 6.165 1.00 0.95 C ATOM 1641 OD1 ASP B 28 4.170 -7.472 6.534 1.00 1.07 O ATOM 1642 OD2 ASP B 28 4.571 -5.324 6.351 1.00 1.83 O ATOM 0 H ASP B 28 4.572 -8.583 4.820 1.00 0.43 H new ATOM 0 HA ASP B 28 5.584 -6.430 3.413 1.00 0.37 H new ATOM 0 HB2 ASP B 28 6.717 -7.615 5.992 1.00 0.44 H new ATOM 0 HB3 ASP B 28 6.829 -5.944 5.475 1.00 0.44 H new ATOM 1647 N SER B 29 7.747 -8.891 3.699 1.00 0.36 N ATOM 1648 CA SER B 29 9.062 -9.353 3.287 1.00 0.34 C ATOM 1649 C SER B 29 9.188 -9.499 1.777 1.00 0.33 C ATOM 1650 O SER B 29 10.300 -9.597 1.263 1.00 0.34 O ATOM 1651 CB SER B 29 9.424 -10.655 3.990 1.00 0.39 C ATOM 1652 OG SER B 29 8.314 -11.526 4.075 1.00 1.07 O ATOM 0 H SER B 29 7.209 -9.570 4.237 1.00 0.36 H new ATOM 0 HA SER B 29 9.773 -8.583 3.587 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.233 -11.147 3.451 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.794 -10.438 4.992 1.00 0.39 H new ATOM 0 HG SER B 29 7.961 -11.695 3.176 1.00 1.07 H new ATOM 1658 N GLU B 30 8.064 -9.505 1.070 1.00 0.35 N ATOM 1659 CA GLU B 30 8.079 -9.569 -0.387 1.00 0.37 C ATOM 1660 C GLU B 30 8.900 -8.418 -0.952 1.00 0.34 C ATOM 1661 O GLU B 30 9.595 -8.553 -1.958 1.00 0.39 O ATOM 1662 CB GLU B 30 6.670 -9.508 -0.955 1.00 0.45 C ATOM 1663 CG GLU B 30 6.634 -9.809 -2.431 1.00 0.68 C ATOM 1664 CD GLU B 30 5.270 -10.241 -2.930 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.689 -11.183 -2.351 1.00 1.57 O ATOM 1666 OE2 GLU B 30 4.787 -9.667 -3.929 1.00 2.33 O ATOM 0 H GLU B 30 7.131 -9.466 1.481 1.00 0.35 H new ATOM 0 HA GLU B 30 8.529 -10.519 -0.675 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.036 -10.220 -0.426 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.252 -8.517 -0.778 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.949 -8.923 -2.982 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.357 -10.594 -2.651 1.00 0.68 H new ATOM 1673 N LEU B 31 8.807 -7.289 -0.282 1.00 0.28 N ATOM 1674 CA LEU B 31 9.588 -6.122 -0.610 1.00 0.24 C ATOM 1675 C LEU B 31 11.033 -6.385 -0.250 1.00 0.25 C ATOM 1676 O LEU B 31 11.953 -6.225 -1.053 1.00 0.26 O ATOM 1677 CB LEU B 31 9.121 -4.940 0.210 1.00 0.20 C ATOM 1678 CG LEU B 31 7.726 -4.374 -0.067 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.656 -3.712 -1.421 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.658 -5.432 0.070 1.00 0.24 C ATOM 0 H LEU B 31 8.181 -7.157 0.512 1.00 0.28 H new ATOM 0 HA LEU B 31 9.477 -5.909 -1.673 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.161 -5.227 1.261 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.841 -4.133 0.072 1.00 0.20 H new ATOM 0 HG LEU B 31 7.536 -3.611 0.688 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.651 -3.322 -1.584 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.374 -2.893 -1.463 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.892 -4.442 -2.195 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.682 -4.992 -0.134 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.849 -6.236 -0.640 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.671 -5.833 1.084 1.00 0.24 H new ATOM 1692 N GLU B 32 11.182 -6.825 0.990 1.00 0.26 N ATOM 1693 CA GLU B 32 12.478 -7.058 1.626 1.00 0.29 C ATOM 1694 C GLU B 32 13.341 -8.036 0.840 1.00 0.33 C ATOM 1695 O GLU B 32 14.557 -8.103 1.038 1.00 0.38 O ATOM 1696 CB GLU B 32 12.274 -7.597 3.041 1.00 0.29 C ATOM 1697 CG GLU B 32 11.258 -6.827 3.877 1.00 0.26 C ATOM 1698 CD GLU B 32 11.150 -7.372 5.291 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.190 -7.510 5.972 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.018 -7.662 5.732 1.00 0.59 O ATOM 0 H GLU B 32 10.391 -7.036 1.599 1.00 0.26 H new ATOM 0 HA GLU B 32 12.997 -6.100 1.655 1.00 0.29 H new ATOM 0 HB2 GLU B 32 11.956 -8.638 2.976 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.232 -7.588 3.560 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.543 -5.776 3.915 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.282 -6.875 3.395 1.00 0.26 H new ATOM 1707 N GLN B 33 12.702 -8.797 -0.032 1.00 0.35 N ATOM 1708 CA GLN B 33 13.385 -9.779 -0.865 1.00 0.40 C ATOM 1709 C GLN B 33 14.522 -9.134 -1.637 1.00 0.39 C ATOM 1710 O GLN B 33 15.661 -9.602 -1.602 1.00 0.48 O ATOM 1711 CB GLN B 33 12.414 -10.404 -1.859 1.00 0.43 C ATOM 1712 CG GLN B 33 11.202 -11.037 -1.225 1.00 0.47 C ATOM 1713 CD GLN B 33 11.537 -12.214 -0.337 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.616 -13.355 -0.796 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.713 -11.947 0.942 1.00 0.57 N ATOM 0 H GLN B 33 11.694 -8.753 -0.184 1.00 0.35 H new ATOM 0 HA GLN B 33 13.784 -10.549 -0.205 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.085 -9.636 -2.559 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.943 -11.160 -2.440 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.674 -10.286 -0.637 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.520 -11.365 -2.009 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.638 -10.987 1.278 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.924 -12.701 1.596 1.00 0.57 H new ATOM 1724 N TYR B 34 14.202 -8.048 -2.318 1.00 0.32 N ATOM 1725 CA TYR B 34 15.148 -7.404 -3.210 1.00 0.32 C ATOM 1726 C TYR B 34 15.523 -5.998 -2.757 1.00 0.30 C ATOM 1727 O TYR B 34 16.606 -5.513 -3.084 1.00 0.37 O ATOM 1728 CB TYR B 34 14.587 -7.359 -4.630 1.00 0.32 C ATOM 1729 CG TYR B 34 13.074 -7.371 -4.704 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.309 -6.423 -4.035 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.413 -8.331 -5.453 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.941 -6.434 -4.106 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.036 -8.350 -5.531 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.304 -7.400 -4.856 1.00 0.34 C ATOM 1735 OH TYR B 34 8.934 -7.421 -4.933 1.00 0.40 O ATOM 0 H TYR B 34 13.291 -7.593 -2.269 1.00 0.32 H new ATOM 0 HA TYR B 34 16.059 -8.003 -3.189 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.956 -6.461 -5.125 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.973 -8.212 -5.188 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.803 -5.663 -3.448 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.985 -9.077 -5.985 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.364 -5.690 -3.577 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.535 -9.106 -6.118 1.00 0.42 H new ATOM 0 HH TYR B 34 8.566 -6.677 -4.413 1.00 0.40 H new ATOM 1745 N PHE B 35 14.651 -5.333 -2.011 1.00 0.27 N ATOM 1746 CA PHE B 35 14.935 -3.969 -1.604 1.00 0.26 C ATOM 1747 C PHE B 35 14.409 -3.667 -0.210 1.00 0.25 C ATOM 1748 O PHE B 35 13.394 -4.205 0.211 1.00 0.25 O ATOM 1749 CB PHE B 35 14.385 -2.956 -2.622 1.00 0.25 C ATOM 1750 CG PHE B 35 12.911 -3.050 -2.928 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.961 -2.922 -1.933 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.485 -3.236 -4.231 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.623 -2.985 -2.222 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.139 -3.302 -4.530 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.205 -3.179 -3.523 1.00 0.18 C ATOM 0 H PHE B 35 13.761 -5.708 -1.683 1.00 0.27 H new ATOM 0 HA PHE B 35 16.020 -3.870 -1.573 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.595 -1.952 -2.253 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.936 -3.074 -3.555 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.278 -2.770 -0.912 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.213 -3.331 -5.023 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.895 -2.883 -1.431 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.818 -3.450 -5.551 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.151 -3.234 -3.751 1.00 0.18 H new ATOM 1765 N THR B 36 15.135 -2.813 0.499 1.00 0.27 N ATOM 1766 CA THR B 36 14.725 -2.322 1.804 1.00 0.27 C ATOM 1767 C THR B 36 15.589 -1.137 2.220 1.00 0.32 C ATOM 1768 O THR B 36 16.346 -0.603 1.409 1.00 0.45 O ATOM 1769 CB THR B 36 14.794 -3.416 2.884 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.707 -4.451 2.492 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.413 -3.993 3.135 1.00 0.27 C ATOM 0 H THR B 36 16.030 -2.440 0.181 1.00 0.27 H new ATOM 0 HA THR B 36 13.686 -2.006 1.715 1.00 0.27 H new ATOM 0 HB THR B 36 15.158 -2.970 3.809 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.741 -5.139 3.190 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.475 -4.766 3.901 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.744 -3.201 3.472 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.027 -4.427 2.213 1.00 0.27 H new ATOM 1779 N ALA B 37 15.467 -0.730 3.473 1.00 0.32 N ATOM 1780 CA ALA B 37 16.210 0.413 3.985 1.00 0.35 C ATOM 1781 C ALA B 37 17.079 -0.003 5.164 1.00 0.43 C ATOM 1782 O ALA B 37 17.435 -1.175 5.300 1.00 0.53 O ATOM 1783 CB ALA B 37 15.249 1.518 4.406 1.00 0.29 C ATOM 0 H ALA B 37 14.857 -1.176 4.158 1.00 0.32 H new ATOM 0 HA ALA B 37 16.856 0.790 3.193 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.816 2.367 4.787 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.657 1.833 3.546 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.585 1.145 5.186 1.00 0.29 H new ATOM 1789 N ARG B 38 17.420 0.976 5.993 1.00 0.44 N ATOM 1790 CA ARG B 38 18.180 0.754 7.221 1.00 0.52 C ATOM 1791 C ARG B 38 17.537 -0.332 8.088 1.00 0.56 C ATOM 1792 O ARG B 38 18.157 -1.350 8.386 1.00 0.67 O ATOM 1793 CB ARG B 38 18.253 2.078 7.993 1.00 0.57 C ATOM 1794 CG ARG B 38 16.904 2.643 8.294 1.00 0.67 C ATOM 1795 CD ARG B 38 17.005 4.019 8.839 1.00 0.93 C ATOM 1796 NE ARG B 38 17.382 4.036 10.251 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.698 5.142 10.924 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.773 6.310 10.294 1.00 2.75 N ATOM 1799 NH2 ARG B 38 17.965 5.073 12.224 1.00 2.94 N ATOM 0 H ARG B 38 17.176 1.953 5.833 1.00 0.44 H new ATOM 0 HA ARG B 38 19.182 0.411 6.964 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.793 1.921 8.926 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.825 2.802 7.412 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.301 2.653 7.386 1.00 0.67 H new ATOM 0 HG3 ARG B 38 16.391 2.002 9.011 1.00 0.67 H new ATOM 0 HD2 ARG B 38 17.740 4.581 8.263 1.00 0.93 H new ATOM 0 HD3 ARG B 38 16.048 4.526 8.716 1.00 0.93 H new ATOM 0 HE ARG B 38 17.405 3.148 10.752 1.00 1.60 H new ATOM 0 HH11 ARG B 38 17.588 6.362 9.292 1.00 2.75 H new ATOM 0 HH12 ARG B 38 18.015 7.154 10.812 1.00 2.75 H new ATOM 0 HH21 ARG B 38 17.928 4.174 12.705 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.207 5.919 12.741 1.00 2.94 H new ATOM 1813 N TRP B 39 16.283 -0.088 8.448 1.00 0.54 N ATOM 1814 CA TRP B 39 15.481 -0.967 9.277 1.00 0.64 C ATOM 1815 C TRP B 39 16.212 -1.413 10.536 1.00 0.85 C ATOM 1816 O TRP B 39 16.772 -2.524 10.545 1.00 1.41 O ATOM 1817 CB TRP B 39 15.012 -2.152 8.455 1.00 0.60 C ATOM 1818 CG TRP B 39 14.036 -1.739 7.421 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.036 -0.573 6.721 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.900 -2.472 6.997 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.970 -0.550 5.854 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.257 -1.715 6.009 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.372 -3.708 7.350 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.103 -2.162 5.376 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.228 -4.138 6.724 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.607 -3.371 5.746 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.214 -0.643 11.519 1.00 1.45 O ATOM 0 H TRP B 39 15.785 0.754 8.160 1.00 0.54 H new ATOM 0 HA TRP B 39 14.613 -0.405 9.621 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.869 -2.629 7.979 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.558 -2.895 9.111 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.765 0.217 6.830 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.746 0.204 5.205 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.852 -4.318 8.101 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.617 -1.568 4.616 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.802 -5.092 6.997 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.712 -3.744 5.270 1.00 0.25 H new TER 1838 TRP B 39