USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot 44:sc= 1.45 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= 1.23 F(o=1.2,f=2.7) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.9!) USER MOD Set 2.2: A 43 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= 1.08 F(o=-0.78!,f=2.3) USER MOD Set 3.2: A 35 THR OG1 : rot -150:sc= 1.21 USER MOD Set 4.1: A 31 MET CE :methyl 175:sc= 0 (180deg=-0.049) USER MOD Set 4.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 16 THR OG1 : rot -63:sc= 1.35 USER MOD Set 5.2: A 20 CYS SG : rot 52:sc= 1.19 USER MOD Set 5.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.856 (180deg=0.317) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -143:sc=-0.00475 (180deg=-0.14) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.0708 F(o=-2.5,f=0.071) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 154:sc= -0.625 (180deg=-0.727) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.904) USER MOD Single : A 38 ASN : amide:sc= 0.959 K(o=0.96,f=-0.001) USER MOD Single : A 45 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= -1.03 K(o=-1,f=-4.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.139 USER MOD Single : A 55 THR OG1 : rot 121:sc= 1.23 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0832 F(o=-0.59,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.120 3.604 -27.980 1.00 6.74 N ATOM 2 CA MET A 1 3.742 3.662 -26.559 1.00 5.79 C ATOM 3 C MET A 1 4.043 2.310 -25.923 1.00 4.27 C ATOM 4 O MET A 1 4.006 1.314 -26.641 1.00 4.65 O ATOM 5 CB MET A 1 2.255 3.999 -26.388 1.00 7.21 C ATOM 6 CG MET A 1 1.945 5.468 -26.697 1.00 8.88 C ATOM 7 SD MET A 1 1.830 5.890 -28.450 1.00 10.21 S ATOM 8 CE MET A 1 1.640 7.684 -28.304 1.00 11.87 C ATOM 0 H1 MET A 1 3.486 4.216 -28.533 1.00 6.74 H new ATOM 0 H2 MET A 1 5.101 3.930 -28.092 1.00 6.74 H new ATOM 0 H3 MET A 1 4.040 2.625 -28.321 1.00 6.74 H new ATOM 0 HA MET A 1 4.316 4.450 -26.072 1.00 5.79 H new ATOM 0 HB2 MET A 1 1.664 3.361 -27.044 1.00 7.21 H new ATOM 0 HB3 MET A 1 1.950 3.774 -25.366 1.00 7.21 H new ATOM 0 HG2 MET A 1 1.003 5.731 -26.216 1.00 8.88 H new ATOM 0 HG3 MET A 1 2.718 6.087 -26.243 1.00 8.88 H new ATOM 0 HE1 MET A 1 1.553 8.123 -29.298 1.00 11.87 H new ATOM 0 HE2 MET A 1 0.742 7.909 -27.728 1.00 11.87 H new ATOM 0 HE3 MET A 1 2.510 8.102 -27.798 1.00 11.87 H new ATOM 20 N LEU A 2 4.354 2.308 -24.624 1.00 3.40 N ATOM 21 CA LEU A 2 4.650 1.179 -23.747 1.00 2.74 C ATOM 22 C LEU A 2 5.216 1.803 -22.467 1.00 2.21 C ATOM 23 O LEU A 2 5.607 2.969 -22.506 1.00 3.52 O ATOM 24 CB LEU A 2 5.659 0.199 -24.378 1.00 3.42 C ATOM 25 CG LEU A 2 4.988 -1.104 -24.844 1.00 4.90 C ATOM 26 CD1 LEU A 2 5.892 -1.827 -25.848 1.00 5.81 C ATOM 27 CD2 LEU A 2 4.711 -2.032 -23.654 1.00 6.20 C ATOM 0 H LEU A 2 4.409 3.188 -24.112 1.00 3.40 H new ATOM 0 HA LEU A 2 3.756 0.586 -23.557 1.00 2.74 H new ATOM 0 HB2 LEU A 2 6.147 0.678 -25.227 1.00 3.42 H new ATOM 0 HB3 LEU A 2 6.438 -0.035 -23.653 1.00 3.42 H new ATOM 0 HG LEU A 2 4.041 -0.847 -25.318 1.00 4.90 H new ATOM 0 HD11 LEU A 2 5.410 -2.749 -26.173 1.00 5.81 H new ATOM 0 HD12 LEU A 2 6.065 -1.184 -26.711 1.00 5.81 H new ATOM 0 HD13 LEU A 2 6.845 -2.063 -25.375 1.00 5.81 H new ATOM 0 HD21 LEU A 2 4.236 -2.947 -24.009 1.00 6.20 H new ATOM 0 HD22 LEU A 2 5.650 -2.279 -23.159 1.00 6.20 H new ATOM 0 HD23 LEU A 2 4.050 -1.530 -22.948 1.00 6.20 H new ATOM 39 N SER A 3 5.270 1.044 -21.367 1.00 1.90 N ATOM 40 CA SER A 3 5.747 1.502 -20.063 1.00 1.30 C ATOM 41 C SER A 3 4.853 2.613 -19.500 1.00 1.01 C ATOM 42 O SER A 3 5.074 3.791 -19.773 1.00 1.27 O ATOM 43 CB SER A 3 7.217 1.938 -20.131 1.00 1.81 C ATOM 44 OG SER A 3 7.989 0.932 -20.761 1.00 3.01 O ATOM 0 H SER A 3 4.974 0.068 -21.362 1.00 1.90 H new ATOM 0 HA SER A 3 5.688 0.660 -19.374 1.00 1.30 H new ATOM 0 HB2 SER A 3 7.303 2.874 -20.683 1.00 1.81 H new ATOM 0 HB3 SER A 3 7.597 2.125 -19.127 1.00 1.81 H new ATOM 0 HG SER A 3 8.926 1.217 -20.803 1.00 3.01 H new ATOM 50 N GLU A 4 3.849 2.236 -18.706 1.00 0.74 N ATOM 51 CA GLU A 4 2.922 3.149 -18.069 1.00 0.48 C ATOM 52 C GLU A 4 2.614 2.602 -16.677 1.00 0.44 C ATOM 53 O GLU A 4 2.677 1.392 -16.453 1.00 0.62 O ATOM 54 CB GLU A 4 1.654 3.313 -18.923 1.00 0.58 C ATOM 55 CG GLU A 4 1.073 1.975 -19.404 1.00 1.53 C ATOM 56 CD GLU A 4 -0.262 2.180 -20.106 1.00 1.99 C ATOM 57 OE1 GLU A 4 -1.243 2.463 -19.385 1.00 2.92 O ATOM 58 OE2 GLU A 4 -0.275 2.056 -21.349 1.00 2.55 O ATOM 0 H GLU A 4 3.660 1.258 -18.488 1.00 0.74 H new ATOM 0 HA GLU A 4 3.358 4.144 -17.975 1.00 0.48 H new ATOM 0 HB2 GLU A 4 0.898 3.842 -18.343 1.00 0.58 H new ATOM 0 HB3 GLU A 4 1.884 3.934 -19.789 1.00 0.58 H new ATOM 0 HG2 GLU A 4 1.775 1.493 -20.084 1.00 1.53 H new ATOM 0 HG3 GLU A 4 0.942 1.305 -18.554 1.00 1.53 H new ATOM 65 N GLN A 5 2.311 3.511 -15.754 1.00 0.34 N ATOM 66 CA GLN A 5 2.035 3.209 -14.360 1.00 0.31 C ATOM 67 C GLN A 5 0.534 3.081 -14.113 1.00 0.36 C ATOM 68 O GLN A 5 -0.269 3.355 -15.005 1.00 0.51 O ATOM 69 CB GLN A 5 2.675 4.282 -13.477 1.00 0.30 C ATOM 70 CG GLN A 5 2.139 5.707 -13.702 1.00 0.31 C ATOM 71 CD GLN A 5 2.645 6.688 -12.645 1.00 0.55 C ATOM 72 OE1 GLN A 5 3.566 6.253 -11.793 1.00 1.23 O flip ATOM 73 NE2 GLN A 5 2.183 7.822 -12.572 1.00 0.43 N flip ATOM 0 H GLN A 5 2.250 4.507 -15.966 1.00 0.34 H new ATOM 0 HA GLN A 5 2.473 2.245 -14.102 1.00 0.31 H new ATOM 0 HB2 GLN A 5 2.521 4.012 -12.432 1.00 0.30 H new ATOM 0 HB3 GLN A 5 3.751 4.282 -13.651 1.00 0.30 H new ATOM 0 HG2 GLN A 5 2.439 6.054 -14.691 1.00 0.31 H new ATOM 0 HG3 GLN A 5 1.049 5.690 -13.687 1.00 0.31 H new ATOM 0 HE21 GLN A 5 1.476 8.129 -13.240 1.00 0.43 H new ATOM 0 HE22 GLN A 5 2.506 8.458 -11.843 1.00 0.43 H new ATOM 82 N LYS A 6 0.142 2.708 -12.892 1.00 0.25 N ATOM 83 CA LYS A 6 -1.261 2.707 -12.511 1.00 0.25 C ATOM 84 C LYS A 6 -1.424 2.964 -11.018 1.00 0.21 C ATOM 85 O LYS A 6 -0.486 2.812 -10.235 1.00 0.24 O ATOM 86 CB LYS A 6 -1.936 1.375 -12.892 1.00 0.35 C ATOM 87 CG LYS A 6 -2.795 1.463 -14.164 1.00 0.58 C ATOM 88 CD LYS A 6 -3.978 0.493 -14.023 1.00 1.22 C ATOM 89 CE LYS A 6 -4.843 0.452 -15.289 1.00 1.86 C ATOM 90 NZ LYS A 6 -6.109 -0.277 -15.058 1.00 3.03 N ATOM 0 H LYS A 6 0.780 2.404 -12.156 1.00 0.25 H new ATOM 0 HA LYS A 6 -1.749 3.514 -13.057 1.00 0.25 H new ATOM 0 HB2 LYS A 6 -1.167 0.615 -13.034 1.00 0.35 H new ATOM 0 HB3 LYS A 6 -2.562 1.044 -12.063 1.00 0.35 H new ATOM 0 HG2 LYS A 6 -3.156 2.482 -14.307 1.00 0.58 H new ATOM 0 HG3 LYS A 6 -2.200 1.209 -15.041 1.00 0.58 H new ATOM 0 HD2 LYS A 6 -3.603 -0.507 -13.808 1.00 1.22 H new ATOM 0 HD3 LYS A 6 -4.593 0.792 -13.174 1.00 1.22 H new ATOM 0 HE2 LYS A 6 -5.062 1.469 -15.614 1.00 1.86 H new ATOM 0 HE3 LYS A 6 -4.288 -0.028 -16.095 1.00 1.86 H new ATOM 0 HZ1 LYS A 6 -6.669 -0.286 -15.934 1.00 3.03 H new ATOM 0 HZ2 LYS A 6 -5.899 -1.255 -14.771 1.00 3.03 H new ATOM 0 HZ3 LYS A 6 -6.650 0.196 -14.306 1.00 3.03 H new ATOM 104 N GLU A 7 -2.664 3.303 -10.659 1.00 0.24 N ATOM 105 CA GLU A 7 -3.181 3.272 -9.311 1.00 0.26 C ATOM 106 C GLU A 7 -3.634 1.843 -9.011 1.00 0.32 C ATOM 107 O GLU A 7 -4.134 1.146 -9.896 1.00 0.64 O ATOM 108 CB GLU A 7 -4.345 4.271 -9.182 1.00 0.38 C ATOM 109 CG GLU A 7 -5.361 4.201 -10.334 1.00 0.55 C ATOM 110 CD GLU A 7 -6.597 5.037 -10.033 1.00 1.11 C ATOM 111 OE1 GLU A 7 -6.411 6.248 -9.788 1.00 2.16 O ATOM 112 OE2 GLU A 7 -7.701 4.453 -10.070 1.00 2.43 O ATOM 0 H GLU A 7 -3.357 3.619 -11.338 1.00 0.24 H new ATOM 0 HA GLU A 7 -2.416 3.563 -8.591 1.00 0.26 H new ATOM 0 HB2 GLU A 7 -4.865 4.088 -8.242 1.00 0.38 H new ATOM 0 HB3 GLU A 7 -3.939 5.281 -9.130 1.00 0.38 H new ATOM 0 HG2 GLU A 7 -4.896 4.554 -11.254 1.00 0.55 H new ATOM 0 HG3 GLU A 7 -5.653 3.164 -10.502 1.00 0.55 H new ATOM 119 N ILE A 8 -3.460 1.410 -7.764 1.00 0.22 N ATOM 120 CA ILE A 8 -4.142 0.259 -7.198 1.00 0.22 C ATOM 121 C ILE A 8 -4.843 0.785 -5.951 1.00 0.22 C ATOM 122 O ILE A 8 -4.326 1.705 -5.320 1.00 0.26 O ATOM 123 CB ILE A 8 -3.132 -0.870 -6.900 1.00 0.24 C ATOM 124 CG1 ILE A 8 -3.581 -2.224 -7.468 1.00 0.43 C ATOM 125 CG2 ILE A 8 -2.810 -1.034 -5.410 1.00 0.49 C ATOM 126 CD1 ILE A 8 -3.405 -2.273 -8.988 1.00 1.24 C ATOM 0 H ILE A 8 -2.825 1.864 -7.108 1.00 0.22 H new ATOM 0 HA ILE A 8 -4.868 -0.186 -7.878 1.00 0.22 H new ATOM 0 HB ILE A 8 -2.221 -0.551 -7.406 1.00 0.24 H new ATOM 0 HG12 ILE A 8 -3.003 -3.025 -7.006 1.00 0.43 H new ATOM 0 HG13 ILE A 8 -4.627 -2.399 -7.215 1.00 0.43 H new ATOM 0 HG21 ILE A 8 -2.094 -1.846 -5.280 1.00 0.49 H new ATOM 0 HG22 ILE A 8 -2.382 -0.108 -5.026 1.00 0.49 H new ATOM 0 HG23 ILE A 8 -3.724 -1.265 -4.863 1.00 0.49 H new ATOM 0 HD11 ILE A 8 -3.731 -3.244 -9.361 1.00 1.24 H new ATOM 0 HD12 ILE A 8 -4.003 -1.487 -9.449 1.00 1.24 H new ATOM 0 HD13 ILE A 8 -2.355 -2.123 -9.238 1.00 1.24 H new ATOM 138 N ALA A 9 -5.988 0.195 -5.605 1.00 0.24 N ATOM 139 CA ALA A 9 -6.811 0.560 -4.458 1.00 0.30 C ATOM 140 C ALA A 9 -7.300 -0.722 -3.800 1.00 0.36 C ATOM 141 O ALA A 9 -7.921 -1.536 -4.479 1.00 0.46 O ATOM 142 CB ALA A 9 -7.986 1.433 -4.909 1.00 0.36 C ATOM 0 H ALA A 9 -6.380 -0.580 -6.139 1.00 0.24 H new ATOM 0 HA ALA A 9 -6.231 1.139 -3.740 1.00 0.30 H new ATOM 0 HB1 ALA A 9 -8.594 1.700 -4.045 1.00 0.36 H new ATOM 0 HB2 ALA A 9 -7.606 2.340 -5.379 1.00 0.36 H new ATOM 0 HB3 ALA A 9 -8.595 0.881 -5.625 1.00 0.36 H new ATOM 148 N MET A 10 -6.971 -0.942 -2.523 1.00 0.31 N ATOM 149 CA MET A 10 -7.198 -2.234 -1.889 1.00 0.29 C ATOM 150 C MET A 10 -7.294 -2.092 -0.361 1.00 0.29 C ATOM 151 O MET A 10 -6.923 -1.054 0.193 1.00 0.32 O ATOM 152 CB MET A 10 -6.085 -3.192 -2.314 1.00 0.38 C ATOM 153 CG MET A 10 -4.725 -2.687 -1.829 1.00 0.42 C ATOM 154 SD MET A 10 -3.286 -3.346 -2.702 1.00 1.02 S ATOM 155 CE MET A 10 -2.017 -2.179 -2.169 1.00 0.78 C ATOM 0 H MET A 10 -6.548 -0.241 -1.914 1.00 0.31 H new ATOM 0 HA MET A 10 -8.154 -2.644 -2.215 1.00 0.29 H new ATOM 0 HB2 MET A 10 -6.277 -4.185 -1.906 1.00 0.38 H new ATOM 0 HB3 MET A 10 -6.077 -3.289 -3.400 1.00 0.38 H new ATOM 0 HG2 MET A 10 -4.711 -1.600 -1.912 1.00 0.42 H new ATOM 0 HG3 MET A 10 -4.626 -2.927 -0.770 1.00 0.42 H new ATOM 0 HE1 MET A 10 -1.332 -1.984 -2.994 1.00 0.78 H new ATOM 0 HE2 MET A 10 -2.488 -1.246 -1.860 1.00 0.78 H new ATOM 0 HE3 MET A 10 -1.464 -2.601 -1.330 1.00 0.78 H new ATOM 165 N GLN A 11 -7.799 -3.132 0.314 1.00 0.29 N ATOM 166 CA GLN A 11 -8.117 -3.100 1.737 1.00 0.27 C ATOM 167 C GLN A 11 -6.954 -3.697 2.526 1.00 0.26 C ATOM 168 O GLN A 11 -6.225 -4.547 2.010 1.00 0.35 O ATOM 169 CB GLN A 11 -9.438 -3.822 2.075 1.00 0.31 C ATOM 170 CG GLN A 11 -10.575 -3.691 1.050 1.00 0.36 C ATOM 171 CD GLN A 11 -10.527 -4.774 -0.033 1.00 0.72 C ATOM 172 OE1 GLN A 11 -9.854 -4.489 -1.142 1.00 1.76 O flip ATOM 173 NE2 GLN A 11 -11.088 -5.850 0.128 1.00 0.70 N flip ATOM 0 H GLN A 11 -7.999 -4.031 -0.125 1.00 0.29 H new ATOM 0 HA GLN A 11 -8.263 -2.058 2.021 1.00 0.27 H new ATOM 0 HB2 GLN A 11 -9.222 -4.882 2.211 1.00 0.31 H new ATOM 0 HB3 GLN A 11 -9.797 -3.445 3.032 1.00 0.31 H new ATOM 0 HG2 GLN A 11 -11.533 -3.744 1.568 1.00 0.36 H new ATOM 0 HG3 GLN A 11 -10.522 -2.710 0.579 1.00 0.36 H new ATOM 0 HE21 GLN A 11 -11.596 -6.036 0.993 1.00 0.70 H new ATOM 0 HE22 GLN A 11 -11.047 -6.561 -0.602 1.00 0.70 H new ATOM 182 N VAL A 12 -6.785 -3.257 3.774 1.00 0.30 N ATOM 183 CA VAL A 12 -5.729 -3.736 4.662 1.00 0.31 C ATOM 184 C VAL A 12 -6.353 -4.440 5.867 1.00 0.39 C ATOM 185 O VAL A 12 -7.548 -4.299 6.112 1.00 0.69 O ATOM 186 CB VAL A 12 -4.787 -2.581 5.058 1.00 0.37 C ATOM 187 CG1 VAL A 12 -3.360 -3.081 5.302 1.00 0.37 C ATOM 188 CG2 VAL A 12 -4.687 -1.528 3.953 1.00 0.42 C ATOM 0 H VAL A 12 -7.385 -2.550 4.199 1.00 0.30 H new ATOM 0 HA VAL A 12 -5.111 -4.468 4.143 1.00 0.31 H new ATOM 0 HB VAL A 12 -5.214 -2.153 5.965 1.00 0.37 H new ATOM 0 HG11 VAL A 12 -2.723 -2.241 5.579 1.00 0.37 H new ATOM 0 HG12 VAL A 12 -3.364 -3.815 6.108 1.00 0.37 H new ATOM 0 HG13 VAL A 12 -2.976 -3.543 4.393 1.00 0.37 H new ATOM 0 HG21 VAL A 12 -4.014 -0.731 4.270 1.00 0.42 H new ATOM 0 HG22 VAL A 12 -4.300 -1.990 3.044 1.00 0.42 H new ATOM 0 HG23 VAL A 12 -5.675 -1.112 3.756 1.00 0.42 H new ATOM 198 N SER A 13 -5.554 -5.206 6.611 1.00 0.34 N ATOM 199 CA SER A 13 -5.952 -5.876 7.839 1.00 0.43 C ATOM 200 C SER A 13 -4.999 -5.468 8.961 1.00 0.52 C ATOM 201 O SER A 13 -3.787 -5.639 8.820 1.00 0.77 O ATOM 202 CB SER A 13 -5.921 -7.389 7.609 1.00 0.61 C ATOM 203 OG SER A 13 -6.678 -8.058 8.596 1.00 0.78 O ATOM 0 H SER A 13 -4.580 -5.380 6.363 1.00 0.34 H new ATOM 0 HA SER A 13 -6.964 -5.589 8.126 1.00 0.43 H new ATOM 0 HB2 SER A 13 -6.318 -7.620 6.620 1.00 0.61 H new ATOM 0 HB3 SER A 13 -4.891 -7.744 7.630 1.00 0.61 H new ATOM 0 HG SER A 13 -6.648 -9.024 8.432 1.00 0.78 H new ATOM 209 N GLY A 14 -5.547 -4.931 10.059 1.00 0.46 N ATOM 210 CA GLY A 14 -4.827 -4.661 11.302 1.00 0.68 C ATOM 211 C GLY A 14 -4.766 -3.172 11.661 1.00 0.81 C ATOM 212 O GLY A 14 -4.458 -2.832 12.801 1.00 1.43 O ATOM 0 H GLY A 14 -6.531 -4.666 10.104 1.00 0.46 H new ATOM 0 HA2 GLY A 14 -5.307 -5.204 12.116 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -3.812 -5.048 11.216 1.00 0.68 H new ATOM 216 N MET A 15 -5.042 -2.281 10.704 1.00 0.69 N ATOM 217 CA MET A 15 -5.058 -0.843 10.936 1.00 0.81 C ATOM 218 C MET A 15 -6.004 -0.458 12.082 1.00 0.88 C ATOM 219 O MET A 15 -7.081 -1.034 12.214 1.00 0.95 O ATOM 220 CB MET A 15 -5.419 -0.089 9.643 1.00 1.05 C ATOM 221 CG MET A 15 -6.819 -0.383 9.078 1.00 0.97 C ATOM 222 SD MET A 15 -7.010 -1.876 8.078 1.00 2.67 S ATOM 223 CE MET A 15 -8.694 -1.613 7.495 1.00 3.09 C ATOM 0 H MET A 15 -5.261 -2.544 9.743 1.00 0.69 H new ATOM 0 HA MET A 15 -4.053 -0.548 11.238 1.00 0.81 H new ATOM 0 HB2 MET A 15 -5.339 0.981 9.832 1.00 1.05 H new ATOM 0 HB3 MET A 15 -4.679 -0.334 8.881 1.00 1.05 H new ATOM 0 HG2 MET A 15 -7.515 -0.446 9.915 1.00 0.97 H new ATOM 0 HG3 MET A 15 -7.125 0.470 8.473 1.00 0.97 H new ATOM 0 HE1 MET A 15 -8.837 -2.134 6.548 1.00 3.09 H new ATOM 0 HE2 MET A 15 -9.399 -2.000 8.231 1.00 3.09 H new ATOM 0 HE3 MET A 15 -8.867 -0.546 7.352 1.00 3.09 H new ATOM 233 N THR A 16 -5.622 0.543 12.883 1.00 1.34 N ATOM 234 CA THR A 16 -6.422 1.042 13.997 1.00 1.67 C ATOM 235 C THR A 16 -6.890 2.480 13.747 1.00 1.27 C ATOM 236 O THR A 16 -7.175 3.205 14.698 1.00 1.65 O ATOM 237 CB THR A 16 -5.581 0.961 15.279 1.00 2.64 C ATOM 238 OG1 THR A 16 -4.462 1.817 15.166 1.00 3.42 O ATOM 239 CG2 THR A 16 -5.084 -0.467 15.529 1.00 3.17 C ATOM 0 H THR A 16 -4.735 1.033 12.770 1.00 1.34 H new ATOM 0 HA THR A 16 -7.316 0.427 14.100 1.00 1.67 H new ATOM 0 HB THR A 16 -6.212 1.265 16.114 1.00 2.64 H new ATOM 0 HG1 THR A 16 -3.891 1.514 14.429 1.00 3.42 H new ATOM 0 HG21 THR A 16 -4.492 -0.491 16.444 1.00 3.17 H new ATOM 0 HG22 THR A 16 -5.938 -1.137 15.632 1.00 3.17 H new ATOM 0 HG23 THR A 16 -4.468 -0.790 14.690 1.00 3.17 H new ATOM 247 N CYS A 17 -6.933 2.919 12.481 1.00 1.27 N ATOM 248 CA CYS A 17 -7.258 4.287 12.063 1.00 2.08 C ATOM 249 C CYS A 17 -6.148 5.291 12.400 1.00 2.03 C ATOM 250 O CYS A 17 -5.717 6.051 11.535 1.00 3.34 O ATOM 251 CB CYS A 17 -8.613 4.753 12.588 1.00 2.91 C ATOM 252 SG CYS A 17 -8.988 6.341 11.807 1.00 4.18 S ATOM 0 H CYS A 17 -6.734 2.306 11.691 1.00 1.27 H new ATOM 0 HA CYS A 17 -7.331 4.252 10.976 1.00 2.08 H new ATOM 0 HB2 CYS A 17 -9.386 4.020 12.356 1.00 2.91 H new ATOM 0 HB3 CYS A 17 -8.588 4.857 13.673 1.00 2.91 H new ATOM 0 HG CYS A 17 -10.140 6.771 12.229 1.00 4.18 H new ATOM 258 N ALA A 18 -5.659 5.278 13.643 1.00 1.50 N ATOM 259 CA ALA A 18 -4.605 6.142 14.157 1.00 1.61 C ATOM 260 C ALA A 18 -3.301 6.016 13.355 1.00 1.67 C ATOM 261 O ALA A 18 -2.383 5.304 13.756 1.00 2.83 O ATOM 262 CB ALA A 18 -4.387 5.818 15.640 1.00 1.95 C ATOM 0 H ALA A 18 -6.008 4.630 14.349 1.00 1.50 H new ATOM 0 HA ALA A 18 -4.918 7.180 14.049 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -3.600 6.457 16.040 1.00 1.95 H new ATOM 0 HB2 ALA A 18 -5.311 5.993 16.190 1.00 1.95 H new ATOM 0 HB3 ALA A 18 -4.094 4.773 15.745 1.00 1.95 H new ATOM 268 N ALA A 19 -3.229 6.712 12.213 1.00 1.02 N ATOM 269 CA ALA A 19 -2.048 6.901 11.370 1.00 0.81 C ATOM 270 C ALA A 19 -1.464 5.593 10.815 1.00 0.73 C ATOM 271 O ALA A 19 -0.362 5.579 10.270 1.00 0.71 O ATOM 272 CB ALA A 19 -0.990 7.707 12.137 1.00 1.11 C ATOM 0 H ALA A 19 -4.047 7.187 11.832 1.00 1.02 H new ATOM 0 HA ALA A 19 -2.370 7.461 10.492 1.00 0.81 H new ATOM 0 HB1 ALA A 19 -0.111 7.846 11.507 1.00 1.11 H new ATOM 0 HB2 ALA A 19 -1.400 8.680 12.408 1.00 1.11 H new ATOM 0 HB3 ALA A 19 -0.706 7.168 13.041 1.00 1.11 H new ATOM 278 N CYS A 20 -2.191 4.484 10.946 1.00 0.85 N ATOM 279 CA CYS A 20 -1.614 3.158 10.771 1.00 0.89 C ATOM 280 C CYS A 20 -1.303 2.893 9.308 1.00 0.71 C ATOM 281 O CYS A 20 -0.139 2.776 8.916 1.00 0.59 O ATOM 282 CB CYS A 20 -2.577 2.091 11.308 1.00 1.19 C ATOM 283 SG CYS A 20 -2.216 1.766 13.044 1.00 1.51 S ATOM 0 H CYS A 20 -3.185 4.481 11.174 1.00 0.85 H new ATOM 0 HA CYS A 20 -0.681 3.112 11.333 1.00 0.89 H new ATOM 0 HB2 CYS A 20 -3.607 2.429 11.198 1.00 1.19 H new ATOM 0 HB3 CYS A 20 -2.479 1.173 10.728 1.00 1.19 H new ATOM 0 HG CYS A 20 -2.184 2.889 13.698 1.00 1.51 H new ATOM 289 N ALA A 21 -2.355 2.854 8.482 1.00 0.78 N ATOM 290 CA ALA A 21 -2.198 2.558 7.067 1.00 0.77 C ATOM 291 C ALA A 21 -1.322 3.608 6.401 1.00 0.58 C ATOM 292 O ALA A 21 -0.605 3.308 5.457 1.00 0.65 O ATOM 293 CB ALA A 21 -3.546 2.381 6.377 1.00 1.05 C ATOM 0 H ALA A 21 -3.317 3.024 8.774 1.00 0.78 H new ATOM 0 HA ALA A 21 -1.686 1.601 6.965 1.00 0.77 H new ATOM 0 HB1 ALA A 21 -3.388 2.161 5.321 1.00 1.05 H new ATOM 0 HB2 ALA A 21 -4.088 1.557 6.842 1.00 1.05 H new ATOM 0 HB3 ALA A 21 -4.127 3.298 6.474 1.00 1.05 H new ATOM 299 N ALA A 22 -1.335 4.832 6.930 1.00 0.44 N ATOM 300 CA ALA A 22 -0.443 5.876 6.479 1.00 0.31 C ATOM 301 C ALA A 22 1.023 5.454 6.627 1.00 0.30 C ATOM 302 O ALA A 22 1.762 5.508 5.648 1.00 0.30 O ATOM 303 CB ALA A 22 -0.753 7.155 7.260 1.00 0.30 C ATOM 0 H ALA A 22 -1.965 5.117 7.680 1.00 0.44 H new ATOM 0 HA ALA A 22 -0.601 6.063 5.417 1.00 0.31 H new ATOM 0 HB1 ALA A 22 -0.087 7.953 6.931 1.00 0.30 H new ATOM 0 HB2 ALA A 22 -1.787 7.449 7.082 1.00 0.30 H new ATOM 0 HB3 ALA A 22 -0.605 6.976 8.325 1.00 0.30 H new ATOM 309 N ARG A 23 1.467 5.038 7.822 1.00 0.34 N ATOM 310 CA ARG A 23 2.857 4.608 7.996 1.00 0.45 C ATOM 311 C ARG A 23 3.143 3.372 7.148 1.00 0.43 C ATOM 312 O ARG A 23 4.162 3.325 6.457 1.00 0.46 O ATOM 313 CB ARG A 23 3.219 4.351 9.468 1.00 0.64 C ATOM 314 CG ARG A 23 2.729 5.437 10.437 1.00 0.83 C ATOM 315 CD ARG A 23 3.781 5.830 11.482 1.00 1.49 C ATOM 316 NE ARG A 23 4.759 6.782 10.932 1.00 1.81 N ATOM 317 CZ ARG A 23 5.672 7.445 11.663 1.00 2.53 C ATOM 318 NH1 ARG A 23 5.839 7.136 12.954 1.00 3.10 N ATOM 319 NH2 ARG A 23 6.404 8.415 11.106 1.00 3.61 N ATOM 0 H ARG A 23 0.895 4.991 8.665 1.00 0.34 H new ATOM 0 HA ARG A 23 3.488 5.429 7.656 1.00 0.45 H new ATOM 0 HB2 ARG A 23 2.798 3.393 9.772 1.00 0.64 H new ATOM 0 HB3 ARG A 23 4.302 4.265 9.554 1.00 0.64 H new ATOM 0 HG2 ARG A 23 2.443 6.321 9.868 1.00 0.83 H new ATOM 0 HG3 ARG A 23 1.833 5.083 10.947 1.00 0.83 H new ATOM 0 HD2 ARG A 23 3.288 6.273 12.347 1.00 1.49 H new ATOM 0 HD3 ARG A 23 4.299 4.937 11.832 1.00 1.49 H new ATOM 0 HE ARG A 23 4.743 6.951 9.926 1.00 1.81 H new ATOM 0 HH11 ARG A 23 5.275 6.400 13.379 1.00 3.10 H new ATOM 0 HH12 ARG A 23 6.530 7.636 13.513 1.00 3.10 H new ATOM 0 HH21 ARG A 23 6.271 8.654 10.123 1.00 3.61 H new ATOM 0 HH22 ARG A 23 7.096 8.916 11.664 1.00 3.61 H new ATOM 333 N ILE A 24 2.237 2.389 7.196 1.00 0.44 N ATOM 334 CA ILE A 24 2.355 1.173 6.400 1.00 0.53 C ATOM 335 C ILE A 24 2.662 1.550 4.949 1.00 0.44 C ATOM 336 O ILE A 24 3.684 1.152 4.388 1.00 0.46 O ATOM 337 CB ILE A 24 1.059 0.346 6.498 1.00 0.60 C ATOM 338 CG1 ILE A 24 0.811 -0.171 7.922 1.00 0.73 C ATOM 339 CG2 ILE A 24 1.100 -0.857 5.545 1.00 0.71 C ATOM 340 CD1 ILE A 24 -0.671 -0.501 8.153 1.00 0.84 C ATOM 0 H ILE A 24 1.406 2.418 7.787 1.00 0.44 H new ATOM 0 HA ILE A 24 3.170 0.559 6.783 1.00 0.53 H new ATOM 0 HB ILE A 24 0.247 1.017 6.218 1.00 0.60 H new ATOM 0 HG12 ILE A 24 1.414 -1.062 8.097 1.00 0.73 H new ATOM 0 HG13 ILE A 24 1.134 0.579 8.644 1.00 0.73 H new ATOM 0 HG21 ILE A 24 0.173 -1.424 5.634 1.00 0.71 H new ATOM 0 HG22 ILE A 24 1.213 -0.505 4.520 1.00 0.71 H new ATOM 0 HG23 ILE A 24 1.943 -1.498 5.804 1.00 0.71 H new ATOM 0 HD11 ILE A 24 -0.808 -0.864 9.172 1.00 0.84 H new ATOM 0 HD12 ILE A 24 -1.271 0.397 8.004 1.00 0.84 H new ATOM 0 HD13 ILE A 24 -0.987 -1.270 7.448 1.00 0.84 H new ATOM 352 N GLU A 25 1.770 2.336 4.343 1.00 0.35 N ATOM 353 CA GLU A 25 1.864 2.636 2.930 1.00 0.30 C ATOM 354 C GLU A 25 3.053 3.560 2.654 1.00 0.23 C ATOM 355 O GLU A 25 3.739 3.414 1.651 1.00 0.30 O ATOM 356 CB GLU A 25 0.571 3.277 2.415 1.00 0.32 C ATOM 357 CG GLU A 25 0.258 2.771 0.999 1.00 0.32 C ATOM 358 CD GLU A 25 0.178 3.918 0.010 1.00 2.47 C ATOM 359 OE1 GLU A 25 -0.873 4.597 -0.033 1.00 3.81 O ATOM 360 OE2 GLU A 25 1.212 4.111 -0.661 1.00 3.75 O ATOM 0 H GLU A 25 0.978 2.772 4.816 1.00 0.35 H new ATOM 0 HA GLU A 25 2.016 1.696 2.400 1.00 0.30 H new ATOM 0 HB2 GLU A 25 -0.254 3.038 3.086 1.00 0.32 H new ATOM 0 HB3 GLU A 25 0.672 4.362 2.408 1.00 0.32 H new ATOM 0 HG2 GLU A 25 1.029 2.068 0.683 1.00 0.32 H new ATOM 0 HG3 GLU A 25 -0.686 2.227 1.005 1.00 0.32 H new ATOM 367 N LYS A 26 3.336 4.518 3.541 1.00 0.19 N ATOM 368 CA LYS A 26 4.513 5.356 3.399 1.00 0.23 C ATOM 369 C LYS A 26 5.787 4.517 3.305 1.00 0.24 C ATOM 370 O LYS A 26 6.710 4.874 2.575 1.00 0.27 O ATOM 371 CB LYS A 26 4.586 6.359 4.553 1.00 0.37 C ATOM 372 CG LYS A 26 3.752 7.622 4.300 1.00 0.46 C ATOM 373 CD LYS A 26 4.353 8.463 3.158 1.00 0.85 C ATOM 374 CE LYS A 26 3.760 9.880 3.111 1.00 0.79 C ATOM 375 NZ LYS A 26 4.367 10.779 4.117 1.00 1.24 N ATOM 0 H LYS A 26 2.764 4.726 4.359 1.00 0.19 H new ATOM 0 HA LYS A 26 4.430 5.912 2.465 1.00 0.23 H new ATOM 0 HB2 LYS A 26 4.240 5.878 5.468 1.00 0.37 H new ATOM 0 HB3 LYS A 26 5.626 6.643 4.716 1.00 0.37 H new ATOM 0 HG2 LYS A 26 2.729 7.342 4.050 1.00 0.46 H new ATOM 0 HG3 LYS A 26 3.706 8.220 5.210 1.00 0.46 H new ATOM 0 HD2 LYS A 26 5.434 8.527 3.285 1.00 0.85 H new ATOM 0 HD3 LYS A 26 4.173 7.963 2.206 1.00 0.85 H new ATOM 0 HE2 LYS A 26 3.908 10.300 2.116 1.00 0.79 H new ATOM 0 HE3 LYS A 26 2.684 9.826 3.278 1.00 0.79 H new ATOM 0 HZ1 LYS A 26 3.934 11.722 4.046 1.00 1.24 H new ATOM 0 HZ2 LYS A 26 4.204 10.394 5.069 1.00 1.24 H new ATOM 0 HZ3 LYS A 26 5.390 10.853 3.944 1.00 1.24 H new ATOM 389 N GLY A 27 5.825 3.384 4.004 1.00 0.27 N ATOM 390 CA GLY A 27 6.839 2.376 3.767 1.00 0.31 C ATOM 391 C GLY A 27 6.905 1.989 2.281 1.00 0.28 C ATOM 392 O GLY A 27 7.981 1.999 1.686 1.00 0.30 O ATOM 0 H GLY A 27 5.160 3.147 4.740 1.00 0.27 H new ATOM 0 HA2 GLY A 27 7.810 2.751 4.091 1.00 0.31 H new ATOM 0 HA3 GLY A 27 6.623 1.491 4.366 1.00 0.31 H new ATOM 396 N LEU A 28 5.763 1.694 1.653 1.00 0.26 N ATOM 397 CA LEU A 28 5.696 1.405 0.223 1.00 0.25 C ATOM 398 C LEU A 28 6.081 2.592 -0.647 1.00 0.22 C ATOM 399 O LEU A 28 6.675 2.383 -1.699 1.00 0.23 O ATOM 400 CB LEU A 28 4.318 0.918 -0.200 1.00 0.27 C ATOM 401 CG LEU A 28 3.926 -0.383 0.496 1.00 0.31 C ATOM 402 CD1 LEU A 28 2.460 -0.635 0.135 1.00 0.38 C ATOM 403 CD2 LEU A 28 4.862 -1.543 0.114 1.00 0.30 C ATOM 0 H LEU A 28 4.860 1.650 2.125 1.00 0.26 H new ATOM 0 HA LEU A 28 6.427 0.612 0.067 1.00 0.25 H new ATOM 0 HB2 LEU A 28 3.578 1.686 0.026 1.00 0.27 H new ATOM 0 HB3 LEU A 28 4.303 0.769 -1.280 1.00 0.27 H new ATOM 0 HG LEU A 28 4.033 -0.307 1.578 1.00 0.31 H new ATOM 0 HD11 LEU A 28 2.122 -1.558 0.607 1.00 0.38 H new ATOM 0 HD12 LEU A 28 1.850 0.197 0.487 1.00 0.38 H new ATOM 0 HD13 LEU A 28 2.362 -0.724 -0.947 1.00 0.38 H new ATOM 0 HD21 LEU A 28 4.548 -2.450 0.631 1.00 0.30 H new ATOM 0 HD22 LEU A 28 4.819 -1.706 -0.963 1.00 0.30 H new ATOM 0 HD23 LEU A 28 5.884 -1.296 0.403 1.00 0.30 H new ATOM 415 N LYS A 29 5.798 3.828 -0.223 1.00 0.21 N ATOM 416 CA LYS A 29 6.319 5.013 -0.900 1.00 0.25 C ATOM 417 C LYS A 29 7.859 4.985 -0.988 1.00 0.28 C ATOM 418 O LYS A 29 8.438 5.708 -1.796 1.00 0.35 O ATOM 419 CB LYS A 29 5.692 6.322 -0.377 1.00 0.31 C ATOM 420 CG LYS A 29 6.420 7.555 -0.938 1.00 0.47 C ATOM 421 CD LYS A 29 5.720 8.885 -0.651 1.00 0.77 C ATOM 422 CE LYS A 29 4.342 8.942 -1.323 1.00 0.81 C ATOM 423 NZ LYS A 29 4.095 10.245 -1.981 1.00 1.22 N ATOM 0 H LYS A 29 5.211 4.031 0.586 1.00 0.21 H new ATOM 0 HA LYS A 29 5.991 4.986 -1.939 1.00 0.25 H new ATOM 0 HB2 LYS A 29 4.639 6.360 -0.657 1.00 0.31 H new ATOM 0 HB3 LYS A 29 5.733 6.337 0.712 1.00 0.31 H new ATOM 0 HG2 LYS A 29 7.426 7.590 -0.520 1.00 0.47 H new ATOM 0 HG3 LYS A 29 6.527 7.440 -2.017 1.00 0.47 H new ATOM 0 HD2 LYS A 29 5.608 9.016 0.425 1.00 0.77 H new ATOM 0 HD3 LYS A 29 6.337 9.709 -1.010 1.00 0.77 H new ATOM 0 HE2 LYS A 29 4.266 8.144 -2.061 1.00 0.81 H new ATOM 0 HE3 LYS A 29 3.568 8.761 -0.577 1.00 0.81 H new ATOM 0 HZ1 LYS A 29 3.091 10.317 -2.243 1.00 1.22 H new ATOM 0 HZ2 LYS A 29 4.339 11.016 -1.327 1.00 1.22 H new ATOM 0 HZ3 LYS A 29 4.682 10.319 -2.837 1.00 1.22 H new ATOM 437 N ARG A 30 8.533 4.161 -0.180 1.00 0.26 N ATOM 438 CA ARG A 30 9.971 3.928 -0.284 1.00 0.28 C ATOM 439 C ARG A 30 10.359 2.655 -1.070 1.00 0.39 C ATOM 440 O ARG A 30 11.545 2.332 -1.098 1.00 0.72 O ATOM 441 CB ARG A 30 10.560 3.992 1.138 1.00 0.49 C ATOM 442 CG ARG A 30 10.950 5.446 1.468 1.00 0.99 C ATOM 443 CD ARG A 30 10.660 5.873 2.917 1.00 0.97 C ATOM 444 NE ARG A 30 11.857 5.889 3.774 1.00 2.03 N ATOM 445 CZ ARG A 30 12.416 4.824 4.368 1.00 3.38 C ATOM 446 NH1 ARG A 30 11.956 3.599 4.100 1.00 4.15 N ATOM 447 NH2 ARG A 30 13.426 4.993 5.230 1.00 4.69 N ATOM 0 H ARG A 30 8.088 3.633 0.571 1.00 0.26 H new ATOM 0 HA ARG A 30 10.414 4.713 -0.897 1.00 0.28 H new ATOM 0 HB2 ARG A 30 9.831 3.627 1.862 1.00 0.49 H new ATOM 0 HB3 ARG A 30 11.434 3.344 1.211 1.00 0.49 H new ATOM 0 HG2 ARG A 30 12.014 5.577 1.270 1.00 0.99 H new ATOM 0 HG3 ARG A 30 10.416 6.114 0.792 1.00 0.99 H new ATOM 0 HD2 ARG A 30 10.213 6.867 2.912 1.00 0.97 H new ATOM 0 HD3 ARG A 30 9.924 5.194 3.347 1.00 0.97 H new ATOM 0 HE ARG A 30 12.302 6.793 3.931 1.00 2.03 H new ATOM 0 HH11 ARG A 30 11.183 3.476 3.446 1.00 4.15 H new ATOM 0 HH12 ARG A 30 12.378 2.786 4.549 1.00 4.15 H new ATOM 0 HH21 ARG A 30 13.770 5.931 5.435 1.00 4.69 H new ATOM 0 HH22 ARG A 30 13.852 4.184 5.682 1.00 4.69 H new ATOM 461 N MET A 31 9.436 1.948 -1.746 1.00 0.26 N ATOM 462 CA MET A 31 9.811 0.906 -2.716 1.00 0.24 C ATOM 463 C MET A 31 10.079 1.518 -4.109 1.00 0.17 C ATOM 464 O MET A 31 9.351 2.415 -4.532 1.00 0.19 O ATOM 465 CB MET A 31 8.733 -0.187 -2.828 1.00 0.33 C ATOM 466 CG MET A 31 8.622 -1.056 -1.567 1.00 0.39 C ATOM 467 SD MET A 31 8.461 -2.849 -1.801 1.00 1.85 S ATOM 468 CE MET A 31 10.114 -3.280 -2.391 1.00 2.03 C ATOM 0 H MET A 31 8.430 2.079 -1.639 1.00 0.26 H new ATOM 0 HA MET A 31 10.727 0.445 -2.346 1.00 0.24 H new ATOM 0 HB2 MET A 31 7.769 0.281 -3.025 1.00 0.33 H new ATOM 0 HB3 MET A 31 8.958 -0.825 -3.683 1.00 0.33 H new ATOM 0 HG2 MET A 31 9.504 -0.874 -0.954 1.00 0.39 H new ATOM 0 HG3 MET A 31 7.760 -0.712 -0.995 1.00 0.39 H new ATOM 0 HE1 MET A 31 10.193 -4.362 -2.493 1.00 2.03 H new ATOM 0 HE2 MET A 31 10.289 -2.811 -3.359 1.00 2.03 H new ATOM 0 HE3 MET A 31 10.859 -2.927 -1.677 1.00 2.03 H new ATOM 478 N PRO A 32 11.098 1.042 -4.844 1.00 0.20 N ATOM 479 CA PRO A 32 11.464 1.566 -6.158 1.00 0.27 C ATOM 480 C PRO A 32 10.382 1.262 -7.196 1.00 0.31 C ATOM 481 O PRO A 32 10.275 0.118 -7.611 1.00 0.48 O ATOM 482 CB PRO A 32 12.768 0.844 -6.526 1.00 0.40 C ATOM 483 CG PRO A 32 12.680 -0.477 -5.762 1.00 0.35 C ATOM 484 CD PRO A 32 11.975 -0.060 -4.475 1.00 0.28 C ATOM 0 HA PRO A 32 11.578 2.650 -6.138 1.00 0.27 H new ATOM 0 HB2 PRO A 32 12.845 0.680 -7.601 1.00 0.40 H new ATOM 0 HB3 PRO A 32 13.643 1.421 -6.228 1.00 0.40 H new ATOM 0 HG2 PRO A 32 12.113 -1.228 -6.312 1.00 0.35 H new ATOM 0 HG3 PRO A 32 13.665 -0.901 -5.567 1.00 0.35 H new ATOM 0 HD2 PRO A 32 11.406 -0.889 -4.054 1.00 0.28 H new ATOM 0 HD3 PRO A 32 12.695 0.250 -3.717 1.00 0.28 H new ATOM 492 N GLY A 33 9.593 2.254 -7.621 1.00 0.26 N ATOM 493 CA GLY A 33 8.577 2.093 -8.657 1.00 0.26 C ATOM 494 C GLY A 33 7.288 2.799 -8.254 1.00 0.25 C ATOM 495 O GLY A 33 6.431 3.074 -9.090 1.00 0.27 O ATOM 0 H GLY A 33 9.646 3.202 -7.248 1.00 0.26 H new ATOM 0 HA2 GLY A 33 8.942 2.500 -9.600 1.00 0.26 H new ATOM 0 HA3 GLY A 33 8.382 1.033 -8.822 1.00 0.26 H new ATOM 499 N VAL A 34 7.137 3.081 -6.959 1.00 0.23 N ATOM 500 CA VAL A 34 6.030 3.853 -6.430 1.00 0.20 C ATOM 501 C VAL A 34 6.134 5.320 -6.858 1.00 0.22 C ATOM 502 O VAL A 34 7.231 5.835 -7.073 1.00 0.25 O ATOM 503 CB VAL A 34 6.029 3.686 -4.910 1.00 0.20 C ATOM 504 CG1 VAL A 34 7.184 4.485 -4.295 1.00 0.25 C ATOM 505 CG2 VAL A 34 4.677 4.068 -4.295 1.00 0.26 C ATOM 0 H VAL A 34 7.795 2.771 -6.244 1.00 0.23 H new ATOM 0 HA VAL A 34 5.082 3.492 -6.829 1.00 0.20 H new ATOM 0 HB VAL A 34 6.182 2.632 -4.680 1.00 0.20 H new ATOM 0 HG11 VAL A 34 7.176 4.361 -3.212 1.00 0.25 H new ATOM 0 HG12 VAL A 34 8.131 4.122 -4.695 1.00 0.25 H new ATOM 0 HG13 VAL A 34 7.067 5.541 -4.540 1.00 0.25 H new ATOM 0 HG21 VAL A 34 4.719 3.935 -3.214 1.00 0.26 H new ATOM 0 HG22 VAL A 34 4.454 5.110 -4.524 1.00 0.26 H new ATOM 0 HG23 VAL A 34 3.896 3.431 -4.709 1.00 0.26 H new ATOM 515 N THR A 35 4.989 5.996 -6.957 1.00 0.25 N ATOM 516 CA THR A 35 4.891 7.433 -7.178 1.00 0.32 C ATOM 517 C THR A 35 4.254 8.093 -5.961 1.00 0.32 C ATOM 518 O THR A 35 4.861 8.975 -5.349 1.00 0.45 O ATOM 519 CB THR A 35 4.115 7.748 -8.472 1.00 0.38 C ATOM 520 OG1 THR A 35 3.740 6.554 -9.123 1.00 0.41 O ATOM 521 CG2 THR A 35 4.969 8.566 -9.444 1.00 0.47 C ATOM 0 H THR A 35 4.079 5.542 -6.883 1.00 0.25 H new ATOM 0 HA THR A 35 5.893 7.842 -7.308 1.00 0.32 H new ATOM 0 HB THR A 35 3.233 8.321 -8.187 1.00 0.38 H new ATOM 0 HG1 THR A 35 3.703 6.707 -10.090 1.00 0.41 H new ATOM 0 HG21 THR A 35 4.395 8.773 -10.347 1.00 0.47 H new ATOM 0 HG22 THR A 35 5.256 9.506 -8.973 1.00 0.47 H new ATOM 0 HG23 THR A 35 5.865 8.002 -9.704 1.00 0.47 H new ATOM 529 N ASP A 36 3.032 7.678 -5.600 1.00 0.25 N ATOM 530 CA ASP A 36 2.306 8.322 -4.513 1.00 0.26 C ATOM 531 C ASP A 36 1.456 7.349 -3.706 1.00 0.27 C ATOM 532 O ASP A 36 0.997 6.339 -4.237 1.00 0.41 O ATOM 533 CB ASP A 36 1.477 9.512 -5.015 1.00 0.35 C ATOM 534 CG ASP A 36 0.926 10.338 -3.857 1.00 1.36 C ATOM 535 OD1 ASP A 36 1.602 10.331 -2.798 1.00 2.08 O ATOM 536 OD2 ASP A 36 -0.133 10.967 -4.043 1.00 2.70 O ATOM 0 H ASP A 36 2.535 6.906 -6.044 1.00 0.25 H new ATOM 0 HA ASP A 36 3.062 8.707 -3.828 1.00 0.26 H new ATOM 0 HB2 ASP A 36 2.095 10.144 -5.652 1.00 0.35 H new ATOM 0 HB3 ASP A 36 0.653 9.149 -5.629 1.00 0.35 H new ATOM 541 N ALA A 37 1.285 7.687 -2.426 1.00 0.34 N ATOM 542 CA ALA A 37 0.472 6.996 -1.444 1.00 0.49 C ATOM 543 C ALA A 37 -0.842 7.744 -1.258 1.00 0.55 C ATOM 544 O ALA A 37 -0.861 8.970 -1.366 1.00 1.21 O ATOM 545 CB ALA A 37 1.236 6.992 -0.114 1.00 1.15 C ATOM 0 H ALA A 37 1.745 8.507 -2.030 1.00 0.34 H new ATOM 0 HA ALA A 37 0.265 5.978 -1.773 1.00 0.49 H new ATOM 0 HB1 ALA A 37 0.645 6.477 0.643 1.00 1.15 H new ATOM 0 HB2 ALA A 37 2.188 6.478 -0.243 1.00 1.15 H new ATOM 0 HB3 ALA A 37 1.418 8.019 0.204 1.00 1.15 H new ATOM 551 N ASN A 38 -1.942 7.053 -0.952 1.00 0.24 N ATOM 552 CA ASN A 38 -3.229 7.714 -0.756 1.00 0.50 C ATOM 553 C ASN A 38 -4.118 6.875 0.159 1.00 0.34 C ATOM 554 O ASN A 38 -4.872 6.010 -0.281 1.00 0.36 O ATOM 555 CB ASN A 38 -3.883 8.058 -2.109 1.00 0.80 C ATOM 556 CG ASN A 38 -4.147 9.554 -2.243 1.00 1.14 C ATOM 557 OD1 ASN A 38 -5.294 9.986 -2.302 1.00 2.30 O ATOM 558 ND2 ASN A 38 -3.092 10.362 -2.287 1.00 0.89 N ATOM 0 H ASN A 38 -1.965 6.040 -0.835 1.00 0.24 H new ATOM 0 HA ASN A 38 -3.076 8.668 -0.251 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -3.235 7.729 -2.921 1.00 0.80 H new ATOM 0 HB3 ASN A 38 -4.821 7.512 -2.209 1.00 0.80 H new ATOM 0 HD21 ASN A 38 -3.225 11.370 -2.372 1.00 0.89 H new ATOM 0 HD22 ASN A 38 -2.150 9.974 -2.236 1.00 0.89 H new ATOM 565 N VAL A 39 -4.018 7.135 1.461 1.00 0.35 N ATOM 566 CA VAL A 39 -4.681 6.357 2.492 1.00 0.36 C ATOM 567 C VAL A 39 -6.131 6.828 2.670 1.00 0.34 C ATOM 568 O VAL A 39 -6.386 8.029 2.706 1.00 0.40 O ATOM 569 CB VAL A 39 -3.832 6.446 3.771 1.00 0.63 C ATOM 570 CG1 VAL A 39 -3.930 7.809 4.470 1.00 0.74 C ATOM 571 CG2 VAL A 39 -4.219 5.329 4.733 1.00 0.81 C ATOM 0 H VAL A 39 -3.463 7.907 1.830 1.00 0.35 H new ATOM 0 HA VAL A 39 -4.756 5.306 2.215 1.00 0.36 H new ATOM 0 HB VAL A 39 -2.792 6.330 3.466 1.00 0.63 H new ATOM 0 HG11 VAL A 39 -3.308 7.805 5.365 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -3.586 8.591 3.793 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -4.966 8.001 4.750 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -3.613 5.400 5.636 1.00 0.81 H new ATOM 0 HG22 VAL A 39 -5.273 5.424 4.995 1.00 0.81 H new ATOM 0 HG23 VAL A 39 -4.049 4.363 4.257 1.00 0.81 H new ATOM 581 N ASN A 40 -7.080 5.888 2.773 1.00 0.33 N ATOM 582 CA ASN A 40 -8.503 6.152 2.942 1.00 0.39 C ATOM 583 C ASN A 40 -9.119 5.225 3.988 1.00 0.39 C ATOM 584 O ASN A 40 -9.984 4.396 3.695 1.00 0.37 O ATOM 585 CB ASN A 40 -9.231 6.059 1.597 1.00 0.44 C ATOM 586 CG ASN A 40 -10.631 6.658 1.695 1.00 0.87 C ATOM 587 OD1 ASN A 40 -10.969 7.319 2.672 1.00 1.07 O ATOM 588 ND2 ASN A 40 -11.477 6.381 0.711 1.00 1.26 N ATOM 0 H ASN A 40 -6.864 4.892 2.739 1.00 0.33 H new ATOM 0 HA ASN A 40 -8.621 7.170 3.313 1.00 0.39 H new ATOM 0 HB2 ASN A 40 -8.659 6.584 0.832 1.00 0.44 H new ATOM 0 HB3 ASN A 40 -9.298 5.016 1.286 1.00 0.44 H new ATOM 0 HD21 ASN A 40 -12.438 6.720 0.754 1.00 1.26 H new ATOM 0 HD22 ASN A 40 -11.166 5.829 -0.088 1.00 1.26 H new ATOM 595 N LEU A 41 -8.690 5.392 5.240 1.00 0.47 N ATOM 596 CA LEU A 41 -9.194 4.600 6.355 1.00 0.54 C ATOM 597 C LEU A 41 -10.675 4.851 6.628 1.00 0.61 C ATOM 598 O LEU A 41 -11.335 3.988 7.198 1.00 0.62 O ATOM 599 CB LEU A 41 -8.335 4.815 7.609 1.00 0.71 C ATOM 600 CG LEU A 41 -6.917 4.271 7.385 1.00 0.75 C ATOM 601 CD1 LEU A 41 -6.012 4.479 8.603 1.00 1.04 C ATOM 602 CD2 LEU A 41 -6.963 2.781 7.032 1.00 0.64 C ATOM 0 H LEU A 41 -7.985 6.079 5.506 1.00 0.47 H new ATOM 0 HA LEU A 41 -9.114 3.551 6.070 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -8.290 5.877 7.849 1.00 0.71 H new ATOM 0 HB3 LEU A 41 -8.793 4.314 8.462 1.00 0.71 H new ATOM 0 HG LEU A 41 -6.493 4.835 6.554 1.00 0.75 H new ATOM 0 HD11 LEU A 41 -5.021 4.077 8.393 1.00 1.04 H new ATOM 0 HD12 LEU A 41 -5.933 5.544 8.820 1.00 1.04 H new ATOM 0 HD13 LEU A 41 -6.437 3.964 9.464 1.00 1.04 H new ATOM 0 HD21 LEU A 41 -5.949 2.412 6.877 1.00 0.64 H new ATOM 0 HD22 LEU A 41 -7.429 2.228 7.848 1.00 0.64 H new ATOM 0 HD23 LEU A 41 -7.544 2.641 6.120 1.00 0.64 H new ATOM 614 N ALA A 42 -11.228 5.964 6.139 1.00 0.69 N ATOM 615 CA ALA A 42 -12.671 6.181 6.145 1.00 0.79 C ATOM 616 C ALA A 42 -13.392 5.044 5.413 1.00 0.72 C ATOM 617 O ALA A 42 -14.545 4.746 5.707 1.00 0.90 O ATOM 618 CB ALA A 42 -12.999 7.527 5.495 1.00 0.92 C ATOM 0 H ALA A 42 -10.692 6.731 5.733 1.00 0.69 H new ATOM 0 HA ALA A 42 -13.018 6.194 7.178 1.00 0.79 H new ATOM 0 HB1 ALA A 42 -14.078 7.682 5.503 1.00 0.92 H new ATOM 0 HB2 ALA A 42 -12.513 8.328 6.052 1.00 0.92 H new ATOM 0 HB3 ALA A 42 -12.640 7.531 4.466 1.00 0.92 H new ATOM 624 N THR A 43 -12.703 4.420 4.453 1.00 0.58 N ATOM 625 CA THR A 43 -13.181 3.292 3.674 1.00 0.58 C ATOM 626 C THR A 43 -12.318 2.050 3.957 1.00 0.47 C ATOM 627 O THR A 43 -12.321 1.109 3.168 1.00 0.49 O ATOM 628 CB THR A 43 -13.156 3.734 2.199 1.00 0.68 C ATOM 629 OG1 THR A 43 -13.756 5.013 2.085 1.00 0.79 O ATOM 630 CG2 THR A 43 -13.906 2.791 1.260 1.00 0.74 C ATOM 0 H THR A 43 -11.759 4.705 4.193 1.00 0.58 H new ATOM 0 HA THR A 43 -14.198 3.004 3.940 1.00 0.58 H new ATOM 0 HB THR A 43 -12.107 3.736 1.903 1.00 0.68 H new ATOM 0 HG1 THR A 43 -13.886 5.230 1.138 1.00 0.79 H new ATOM 0 HG21 THR A 43 -13.844 3.169 0.239 1.00 0.74 H new ATOM 0 HG22 THR A 43 -13.458 1.798 1.308 1.00 0.74 H new ATOM 0 HG23 THR A 43 -14.952 2.732 1.562 1.00 0.74 H new ATOM 638 N GLU A 44 -11.563 2.037 5.067 1.00 0.39 N ATOM 639 CA GLU A 44 -10.695 0.931 5.465 1.00 0.33 C ATOM 640 C GLU A 44 -9.802 0.453 4.309 1.00 0.31 C ATOM 641 O GLU A 44 -9.525 -0.738 4.173 1.00 0.35 O ATOM 642 CB GLU A 44 -11.554 -0.201 6.050 1.00 0.42 C ATOM 643 CG GLU A 44 -12.250 0.241 7.346 1.00 0.45 C ATOM 644 CD GLU A 44 -13.088 -0.871 7.967 1.00 1.12 C ATOM 645 OE1 GLU A 44 -12.983 -2.018 7.479 1.00 2.07 O ATOM 646 OE2 GLU A 44 -13.815 -0.552 8.931 1.00 1.99 O ATOM 0 H GLU A 44 -11.543 2.817 5.724 1.00 0.39 H new ATOM 0 HA GLU A 44 -10.009 1.280 6.237 1.00 0.33 H new ATOM 0 HB2 GLU A 44 -12.302 -0.508 5.319 1.00 0.42 H new ATOM 0 HB3 GLU A 44 -10.927 -1.070 6.249 1.00 0.42 H new ATOM 0 HG2 GLU A 44 -11.499 0.570 8.064 1.00 0.45 H new ATOM 0 HG3 GLU A 44 -12.889 1.099 7.137 1.00 0.45 H new ATOM 653 N THR A 45 -9.357 1.390 3.467 1.00 0.32 N ATOM 654 CA THR A 45 -8.764 1.086 2.175 1.00 0.30 C ATOM 655 C THR A 45 -7.636 2.075 1.930 1.00 0.25 C ATOM 656 O THR A 45 -7.653 3.191 2.450 1.00 0.26 O ATOM 657 CB THR A 45 -9.873 1.153 1.104 1.00 0.33 C ATOM 658 OG1 THR A 45 -10.718 0.031 1.248 1.00 0.51 O ATOM 659 CG2 THR A 45 -9.396 1.194 -0.349 1.00 0.32 C ATOM 0 H THR A 45 -9.402 2.388 3.671 1.00 0.32 H new ATOM 0 HA THR A 45 -8.337 0.084 2.138 1.00 0.30 H new ATOM 0 HB THR A 45 -10.378 2.102 1.284 1.00 0.33 H new ATOM 0 HG1 THR A 45 -11.369 0.201 1.961 1.00 0.51 H new ATOM 0 HG21 THR A 45 -10.258 1.240 -1.014 1.00 0.32 H new ATOM 0 HG22 THR A 45 -8.772 2.075 -0.502 1.00 0.32 H new ATOM 0 HG23 THR A 45 -8.817 0.297 -0.567 1.00 0.32 H new ATOM 667 N VAL A 46 -6.637 1.663 1.156 1.00 0.25 N ATOM 668 CA VAL A 46 -5.566 2.546 0.734 1.00 0.23 C ATOM 669 C VAL A 46 -5.329 2.376 -0.761 1.00 0.20 C ATOM 670 O VAL A 46 -5.575 1.298 -1.309 1.00 0.23 O ATOM 671 CB VAL A 46 -4.329 2.302 1.608 1.00 0.36 C ATOM 672 CG1 VAL A 46 -3.893 0.834 1.624 1.00 0.50 C ATOM 673 CG2 VAL A 46 -3.147 3.153 1.150 1.00 0.33 C ATOM 0 H VAL A 46 -6.551 0.709 0.807 1.00 0.25 H new ATOM 0 HA VAL A 46 -5.832 3.593 0.878 1.00 0.23 H new ATOM 0 HB VAL A 46 -4.626 2.586 2.618 1.00 0.36 H new ATOM 0 HG11 VAL A 46 -3.014 0.723 2.258 1.00 0.50 H new ATOM 0 HG12 VAL A 46 -4.703 0.218 2.015 1.00 0.50 H new ATOM 0 HG13 VAL A 46 -3.652 0.515 0.610 1.00 0.50 H new ATOM 0 HG21 VAL A 46 -2.287 2.956 1.790 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -2.897 2.903 0.119 1.00 0.33 H new ATOM 0 HG23 VAL A 46 -3.412 4.208 1.213 1.00 0.33 H new ATOM 683 N ASN A 47 -4.903 3.462 -1.411 1.00 0.18 N ATOM 684 CA ASN A 47 -4.645 3.531 -2.832 1.00 0.21 C ATOM 685 C ASN A 47 -3.211 3.976 -3.030 1.00 0.27 C ATOM 686 O ASN A 47 -2.840 5.031 -2.527 1.00 0.64 O ATOM 687 CB ASN A 47 -5.619 4.507 -3.503 1.00 0.34 C ATOM 688 CG ASN A 47 -5.253 4.781 -4.962 1.00 1.05 C ATOM 689 OD1 ASN A 47 -5.903 4.279 -5.870 1.00 2.49 O ATOM 690 ND2 ASN A 47 -4.231 5.599 -5.207 1.00 0.66 N ATOM 0 H ASN A 47 -4.725 4.346 -0.934 1.00 0.18 H new ATOM 0 HA ASN A 47 -4.793 2.553 -3.291 1.00 0.21 H new ATOM 0 HB2 ASN A 47 -6.629 4.100 -3.454 1.00 0.34 H new ATOM 0 HB3 ASN A 47 -5.627 5.446 -2.950 1.00 0.34 H new ATOM 0 HD21 ASN A 47 -3.974 5.820 -6.169 1.00 0.66 H new ATOM 0 HD22 ASN A 47 -3.705 6.004 -4.433 1.00 0.66 H new ATOM 697 N VAL A 48 -2.433 3.217 -3.797 1.00 0.22 N ATOM 698 CA VAL A 48 -1.048 3.537 -4.096 1.00 0.21 C ATOM 699 C VAL A 48 -0.855 3.535 -5.609 1.00 0.20 C ATOM 700 O VAL A 48 -1.410 2.684 -6.303 1.00 0.22 O ATOM 701 CB VAL A 48 -0.108 2.596 -3.323 1.00 0.23 C ATOM 702 CG1 VAL A 48 -0.340 1.114 -3.619 1.00 0.24 C ATOM 703 CG2 VAL A 48 1.362 2.940 -3.584 1.00 0.25 C ATOM 0 H VAL A 48 -2.755 2.352 -4.232 1.00 0.22 H new ATOM 0 HA VAL A 48 -0.788 4.539 -3.755 1.00 0.21 H new ATOM 0 HB VAL A 48 -0.347 2.757 -2.272 1.00 0.23 H new ATOM 0 HG11 VAL A 48 0.359 0.513 -3.038 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -1.361 0.845 -3.349 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -0.184 0.926 -4.681 1.00 0.24 H new ATOM 0 HG21 VAL A 48 2.001 2.257 -3.024 1.00 0.25 H new ATOM 0 HG22 VAL A 48 1.575 2.844 -4.649 1.00 0.25 H new ATOM 0 HG23 VAL A 48 1.558 3.964 -3.266 1.00 0.25 H new ATOM 713 N ILE A 49 -0.096 4.513 -6.109 1.00 0.21 N ATOM 714 CA ILE A 49 0.273 4.630 -7.511 1.00 0.20 C ATOM 715 C ILE A 49 1.689 4.090 -7.667 1.00 0.22 C ATOM 716 O ILE A 49 2.586 4.524 -6.940 1.00 0.33 O ATOM 717 CB ILE A 49 0.153 6.084 -8.004 1.00 0.21 C ATOM 718 CG1 ILE A 49 -1.202 6.686 -7.591 1.00 0.30 C ATOM 719 CG2 ILE A 49 0.322 6.124 -9.533 1.00 0.34 C ATOM 720 CD1 ILE A 49 -1.429 8.079 -8.181 1.00 1.02 C ATOM 0 H ILE A 49 0.286 5.261 -5.531 1.00 0.21 H new ATOM 0 HA ILE A 49 -0.410 4.048 -8.130 1.00 0.20 H new ATOM 0 HB ILE A 49 0.939 6.682 -7.544 1.00 0.21 H new ATOM 0 HG12 ILE A 49 -2.004 6.023 -7.915 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -1.254 6.743 -6.504 1.00 0.30 H new ATOM 0 HG21 ILE A 49 0.237 7.153 -9.882 1.00 0.34 H new ATOM 0 HG22 ILE A 49 1.302 5.730 -9.801 1.00 0.34 H new ATOM 0 HG23 ILE A 49 -0.453 5.517 -10.001 1.00 0.34 H new ATOM 0 HD11 ILE A 49 -2.399 8.457 -7.858 1.00 1.02 H new ATOM 0 HD12 ILE A 49 -0.644 8.752 -7.836 1.00 1.02 H new ATOM 0 HD13 ILE A 49 -1.406 8.021 -9.269 1.00 1.02 H new ATOM 732 N TYR A 50 1.890 3.146 -8.592 1.00 0.18 N ATOM 733 CA TYR A 50 3.196 2.559 -8.852 1.00 0.19 C ATOM 734 C TYR A 50 3.320 2.121 -10.302 1.00 0.19 C ATOM 735 O TYR A 50 2.328 2.072 -11.035 1.00 0.20 O ATOM 736 CB TYR A 50 3.463 1.364 -7.922 1.00 0.20 C ATOM 737 CG TYR A 50 2.341 0.335 -7.847 1.00 0.23 C ATOM 738 CD1 TYR A 50 1.961 -0.401 -8.989 1.00 1.76 C ATOM 739 CD2 TYR A 50 1.728 0.050 -6.614 1.00 1.88 C ATOM 740 CE1 TYR A 50 0.987 -1.410 -8.896 1.00 1.74 C ATOM 741 CE2 TYR A 50 0.814 -1.014 -6.508 1.00 1.91 C ATOM 742 CZ TYR A 50 0.461 -1.758 -7.644 1.00 0.32 C ATOM 743 OH TYR A 50 -0.213 -2.936 -7.503 1.00 0.36 O ATOM 0 H TYR A 50 1.146 2.771 -9.180 1.00 0.18 H new ATOM 0 HA TYR A 50 3.942 3.328 -8.654 1.00 0.19 H new ATOM 0 HB2 TYR A 50 4.372 0.863 -8.253 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.655 1.742 -6.918 1.00 0.20 H new ATOM 0 HD1 TYR A 50 2.422 -0.187 -9.942 1.00 1.76 H new ATOM 0 HD2 TYR A 50 1.960 0.650 -5.746 1.00 1.88 H new ATOM 0 HE1 TYR A 50 0.645 -1.916 -9.787 1.00 1.74 H new ATOM 0 HE2 TYR A 50 0.382 -1.259 -5.549 1.00 1.91 H new ATOM 0 HH TYR A 50 -0.514 -3.032 -6.575 1.00 0.36 H new ATOM 753 N ASP A 51 4.549 1.762 -10.681 1.00 0.22 N ATOM 754 CA ASP A 51 4.894 1.319 -12.010 1.00 0.25 C ATOM 755 C ASP A 51 5.194 -0.185 -12.031 1.00 0.23 C ATOM 756 O ASP A 51 6.192 -0.602 -11.437 1.00 0.21 O ATOM 757 CB ASP A 51 6.112 2.112 -12.461 1.00 0.28 C ATOM 758 CG ASP A 51 6.291 1.905 -13.954 1.00 0.37 C ATOM 759 OD1 ASP A 51 6.461 0.723 -14.321 1.00 1.29 O ATOM 760 OD2 ASP A 51 6.182 2.905 -14.695 1.00 1.34 O ATOM 0 H ASP A 51 5.346 1.776 -10.044 1.00 0.22 H new ATOM 0 HA ASP A 51 4.056 1.488 -12.686 1.00 0.25 H new ATOM 0 HB2 ASP A 51 5.979 3.171 -12.238 1.00 0.28 H new ATOM 0 HB3 ASP A 51 7.000 1.782 -11.923 1.00 0.28 H new ATOM 765 N PRO A 52 4.401 -1.006 -12.747 1.00 0.31 N ATOM 766 CA PRO A 52 4.577 -2.453 -12.815 1.00 0.36 C ATOM 767 C PRO A 52 5.852 -2.889 -13.544 1.00 0.37 C ATOM 768 O PRO A 52 6.058 -4.088 -13.718 1.00 0.56 O ATOM 769 CB PRO A 52 3.313 -2.980 -13.501 1.00 0.48 C ATOM 770 CG PRO A 52 2.921 -1.829 -14.424 1.00 0.49 C ATOM 771 CD PRO A 52 3.312 -0.592 -13.618 1.00 0.40 C ATOM 0 HA PRO A 52 4.707 -2.867 -11.815 1.00 0.36 H new ATOM 0 HB2 PRO A 52 3.508 -3.896 -14.058 1.00 0.48 H new ATOM 0 HB3 PRO A 52 2.527 -3.206 -12.781 1.00 0.48 H new ATOM 0 HG2 PRO A 52 3.452 -1.875 -15.375 1.00 0.49 H new ATOM 0 HG3 PRO A 52 1.855 -1.841 -14.653 1.00 0.49 H new ATOM 0 HD2 PRO A 52 3.626 0.219 -14.276 1.00 0.40 H new ATOM 0 HD3 PRO A 52 2.467 -0.222 -13.037 1.00 0.40 H new ATOM 779 N ALA A 53 6.722 -1.959 -13.950 1.00 0.28 N ATOM 780 CA ALA A 53 8.003 -2.313 -14.548 1.00 0.33 C ATOM 781 C ALA A 53 8.937 -2.760 -13.429 1.00 0.30 C ATOM 782 O ALA A 53 9.597 -3.794 -13.521 1.00 0.42 O ATOM 783 CB ALA A 53 8.589 -1.119 -15.309 1.00 0.39 C ATOM 0 H ALA A 53 6.558 -0.955 -13.873 1.00 0.28 H new ATOM 0 HA ALA A 53 7.874 -3.122 -15.267 1.00 0.33 H new ATOM 0 HB1 ALA A 53 9.545 -1.402 -15.749 1.00 0.39 H new ATOM 0 HB2 ALA A 53 7.901 -0.818 -16.099 1.00 0.39 H new ATOM 0 HB3 ALA A 53 8.738 -0.287 -14.621 1.00 0.39 H new ATOM 789 N GLU A 54 8.960 -1.962 -12.363 1.00 0.22 N ATOM 790 CA GLU A 54 9.730 -2.201 -11.157 1.00 0.23 C ATOM 791 C GLU A 54 8.877 -2.892 -10.088 1.00 0.24 C ATOM 792 O GLU A 54 9.394 -3.583 -9.213 1.00 0.50 O ATOM 793 CB GLU A 54 10.185 -0.840 -10.623 1.00 0.28 C ATOM 794 CG GLU A 54 11.175 -0.122 -11.544 1.00 0.44 C ATOM 795 CD GLU A 54 11.671 1.161 -10.888 1.00 1.93 C ATOM 796 OE1 GLU A 54 12.678 1.073 -10.153 1.00 2.65 O ATOM 797 OE2 GLU A 54 11.027 2.205 -11.122 1.00 3.46 O ATOM 0 H GLU A 54 8.419 -1.098 -12.320 1.00 0.22 H new ATOM 0 HA GLU A 54 10.577 -2.847 -11.388 1.00 0.23 H new ATOM 0 HB2 GLU A 54 9.311 -0.205 -10.477 1.00 0.28 H new ATOM 0 HB3 GLU A 54 10.646 -0.978 -9.645 1.00 0.28 H new ATOM 0 HG2 GLU A 54 12.019 -0.776 -11.763 1.00 0.44 H new ATOM 0 HG3 GLU A 54 10.696 0.109 -12.495 1.00 0.44 H new ATOM 804 N THR A 55 7.582 -2.576 -10.060 1.00 0.30 N ATOM 805 CA THR A 55 6.723 -2.618 -8.885 1.00 0.27 C ATOM 806 C THR A 55 5.223 -2.777 -9.062 1.00 0.28 C ATOM 807 O THR A 55 4.541 -1.962 -9.674 1.00 0.49 O ATOM 808 CB THR A 55 7.033 -1.425 -8.004 1.00 0.44 C ATOM 809 OG1 THR A 55 8.299 -1.635 -7.417 1.00 0.82 O ATOM 810 CG2 THR A 55 6.182 -1.362 -6.760 1.00 0.46 C ATOM 0 H THR A 55 7.084 -2.270 -10.896 1.00 0.30 H new ATOM 0 HA THR A 55 6.982 -3.572 -8.426 1.00 0.27 H new ATOM 0 HB THR A 55 6.908 -0.553 -8.646 1.00 0.44 H new ATOM 0 HG1 THR A 55 8.899 -0.900 -7.663 1.00 0.82 H new ATOM 0 HG21 THR A 55 6.457 -0.484 -6.175 1.00 0.46 H new ATOM 0 HG22 THR A 55 5.131 -1.297 -7.041 1.00 0.46 H new ATOM 0 HG23 THR A 55 6.343 -2.260 -6.163 1.00 0.46 H new ATOM 818 N GLY A 56 4.685 -3.741 -8.314 1.00 0.28 N ATOM 819 CA GLY A 56 3.303 -3.722 -7.918 1.00 0.46 C ATOM 820 C GLY A 56 3.132 -4.609 -6.696 1.00 0.29 C ATOM 821 O GLY A 56 4.104 -4.974 -6.030 1.00 0.19 O ATOM 0 H GLY A 56 5.206 -4.549 -7.973 1.00 0.28 H new ATOM 0 HA2 GLY A 56 2.989 -2.703 -7.692 1.00 0.46 H new ATOM 0 HA3 GLY A 56 2.672 -4.076 -8.733 1.00 0.46 H new ATOM 825 N THR A 57 1.874 -4.957 -6.445 1.00 0.36 N ATOM 826 CA THR A 57 1.355 -5.806 -5.388 1.00 0.36 C ATOM 827 C THR A 57 2.305 -6.954 -5.007 1.00 0.28 C ATOM 828 O THR A 57 2.487 -7.214 -3.824 1.00 0.28 O ATOM 829 CB THR A 57 -0.090 -6.209 -5.743 1.00 0.51 C ATOM 830 OG1 THR A 57 -0.624 -7.123 -4.819 1.00 0.83 O ATOM 831 CG2 THR A 57 -0.292 -6.721 -7.172 1.00 0.54 C ATOM 0 H THR A 57 1.120 -4.614 -7.040 1.00 0.36 H new ATOM 0 HA THR A 57 1.305 -5.249 -4.452 1.00 0.36 H new ATOM 0 HB THR A 57 -0.642 -5.271 -5.684 1.00 0.51 H new ATOM 0 HG1 THR A 57 -0.405 -6.834 -3.909 1.00 0.83 H new ATOM 0 HG21 THR A 57 -1.341 -6.978 -7.322 1.00 0.54 H new ATOM 0 HG22 THR A 57 -0.004 -5.945 -7.881 1.00 0.54 H new ATOM 0 HG23 THR A 57 0.325 -7.605 -7.332 1.00 0.54 H new ATOM 839 N ALA A 58 2.964 -7.600 -5.974 1.00 0.29 N ATOM 840 CA ALA A 58 3.994 -8.603 -5.703 1.00 0.28 C ATOM 841 C ALA A 58 5.026 -8.141 -4.661 1.00 0.23 C ATOM 842 O ALA A 58 5.256 -8.818 -3.661 1.00 0.26 O ATOM 843 CB ALA A 58 4.703 -8.965 -7.011 1.00 0.32 C ATOM 0 H ALA A 58 2.797 -7.441 -6.967 1.00 0.29 H new ATOM 0 HA ALA A 58 3.494 -9.475 -5.282 1.00 0.28 H new ATOM 0 HB1 ALA A 58 5.472 -9.712 -6.814 1.00 0.32 H new ATOM 0 HB2 ALA A 58 3.978 -9.368 -7.718 1.00 0.32 H new ATOM 0 HB3 ALA A 58 5.165 -8.073 -7.434 1.00 0.32 H new ATOM 849 N ALA A 59 5.677 -7.002 -4.912 1.00 0.19 N ATOM 850 CA ALA A 59 6.719 -6.481 -4.028 1.00 0.15 C ATOM 851 C ALA A 59 6.076 -5.937 -2.760 1.00 0.18 C ATOM 852 O ALA A 59 6.628 -5.971 -1.660 1.00 0.21 O ATOM 853 CB ALA A 59 7.508 -5.388 -4.757 1.00 0.17 C ATOM 0 H ALA A 59 5.497 -6.419 -5.729 1.00 0.19 H new ATOM 0 HA ALA A 59 7.410 -7.277 -3.752 1.00 0.15 H new ATOM 0 HB1 ALA A 59 8.285 -4.999 -4.098 1.00 0.17 H new ATOM 0 HB2 ALA A 59 7.967 -5.807 -5.652 1.00 0.17 H new ATOM 0 HB3 ALA A 59 6.834 -4.579 -5.039 1.00 0.17 H new ATOM 859 N ILE A 60 4.889 -5.382 -2.965 1.00 0.22 N ATOM 860 CA ILE A 60 4.173 -4.629 -1.976 1.00 0.23 C ATOM 861 C ILE A 60 3.665 -5.535 -0.862 1.00 0.21 C ATOM 862 O ILE A 60 3.979 -5.249 0.284 1.00 0.24 O ATOM 863 CB ILE A 60 3.161 -3.743 -2.717 1.00 0.27 C ATOM 864 CG1 ILE A 60 3.816 -2.375 -2.960 1.00 0.38 C ATOM 865 CG2 ILE A 60 1.801 -3.615 -2.034 1.00 0.26 C ATOM 866 CD1 ILE A 60 3.511 -1.821 -4.346 1.00 0.58 C ATOM 0 H ILE A 60 4.394 -5.452 -3.854 1.00 0.22 H new ATOM 0 HA ILE A 60 4.802 -3.938 -1.415 1.00 0.23 H new ATOM 0 HB ILE A 60 2.922 -4.230 -3.662 1.00 0.27 H new ATOM 0 HG12 ILE A 60 3.468 -1.670 -2.205 1.00 0.38 H new ATOM 0 HG13 ILE A 60 4.895 -2.466 -2.838 1.00 0.38 H new ATOM 0 HG21 ILE A 60 1.154 -2.971 -2.630 1.00 0.26 H new ATOM 0 HG22 ILE A 60 1.346 -4.601 -1.941 1.00 0.26 H new ATOM 0 HG23 ILE A 60 1.931 -3.181 -1.043 1.00 0.26 H new ATOM 0 HD11 ILE A 60 3.997 -0.853 -4.466 1.00 0.58 H new ATOM 0 HD12 ILE A 60 3.883 -2.511 -5.104 1.00 0.58 H new ATOM 0 HD13 ILE A 60 2.434 -1.702 -4.461 1.00 0.58 H new ATOM 878 N GLN A 61 2.963 -6.640 -1.139 1.00 0.21 N ATOM 879 CA GLN A 61 2.594 -7.585 -0.083 1.00 0.24 C ATOM 880 C GLN A 61 3.822 -7.960 0.748 1.00 0.22 C ATOM 881 O GLN A 61 3.772 -7.906 1.971 1.00 0.24 O ATOM 882 CB GLN A 61 1.994 -8.881 -0.634 1.00 0.30 C ATOM 883 CG GLN A 61 0.466 -8.939 -0.680 1.00 0.37 C ATOM 884 CD GLN A 61 -0.085 -8.374 -1.973 1.00 0.42 C ATOM 885 OE1 GLN A 61 -0.003 -7.061 -2.141 1.00 0.83 O flip ATOM 886 NE2 GLN A 61 -0.562 -9.115 -2.826 1.00 0.34 N flip ATOM 0 H GLN A 61 2.643 -6.898 -2.073 1.00 0.21 H new ATOM 0 HA GLN A 61 1.844 -7.080 0.525 1.00 0.24 H new ATOM 0 HB2 GLN A 61 2.375 -9.036 -1.643 1.00 0.30 H new ATOM 0 HB3 GLN A 61 2.352 -9.712 -0.027 1.00 0.30 H new ATOM 0 HG2 GLN A 61 0.139 -9.973 -0.568 1.00 0.37 H new ATOM 0 HG3 GLN A 61 0.057 -8.382 0.163 1.00 0.37 H new ATOM 0 HE21 GLN A 61 -0.608 -10.120 -2.660 1.00 0.34 H new ATOM 0 HE22 GLN A 61 -0.913 -8.726 -3.701 1.00 0.34 H new ATOM 895 N GLU A 62 4.909 -8.340 0.071 1.00 0.20 N ATOM 896 CA GLU A 62 6.184 -8.649 0.702 1.00 0.22 C ATOM 897 C GLU A 62 6.541 -7.642 1.790 1.00 0.22 C ATOM 898 O GLU A 62 6.712 -7.985 2.960 1.00 0.26 O ATOM 899 CB GLU A 62 7.277 -8.733 -0.384 1.00 0.25 C ATOM 900 CG GLU A 62 8.206 -9.937 -0.224 1.00 0.37 C ATOM 901 CD GLU A 62 9.177 -9.747 0.941 1.00 1.18 C ATOM 902 OE1 GLU A 62 9.674 -8.606 1.094 1.00 2.33 O ATOM 903 OE2 GLU A 62 9.418 -10.745 1.651 1.00 1.85 O ATOM 0 H GLU A 62 4.923 -8.441 -0.944 1.00 0.20 H new ATOM 0 HA GLU A 62 6.105 -9.614 1.202 1.00 0.22 H new ATOM 0 HB2 GLU A 62 6.802 -8.779 -1.364 1.00 0.25 H new ATOM 0 HB3 GLU A 62 7.872 -7.820 -0.361 1.00 0.25 H new ATOM 0 HG2 GLU A 62 7.612 -10.836 -0.061 1.00 0.37 H new ATOM 0 HG3 GLU A 62 8.768 -10.089 -1.146 1.00 0.37 H new ATOM 910 N LYS A 63 6.627 -6.369 1.412 1.00 0.23 N ATOM 911 CA LYS A 63 7.000 -5.359 2.370 1.00 0.25 C ATOM 912 C LYS A 63 5.882 -5.132 3.390 1.00 0.25 C ATOM 913 O LYS A 63 6.171 -5.004 4.576 1.00 0.26 O ATOM 914 CB LYS A 63 7.449 -4.111 1.606 1.00 0.26 C ATOM 915 CG LYS A 63 8.971 -3.942 1.729 1.00 0.34 C ATOM 916 CD LYS A 63 9.714 -5.122 1.065 1.00 0.42 C ATOM 917 CE LYS A 63 11.156 -5.280 1.561 1.00 0.96 C ATOM 918 NZ LYS A 63 12.006 -4.132 1.192 1.00 2.36 N ATOM 0 H LYS A 63 6.446 -6.028 0.468 1.00 0.23 H new ATOM 0 HA LYS A 63 7.848 -5.679 2.976 1.00 0.25 H new ATOM 0 HB2 LYS A 63 7.167 -4.196 0.556 1.00 0.26 H new ATOM 0 HB3 LYS A 63 6.943 -3.230 2.002 1.00 0.26 H new ATOM 0 HG2 LYS A 63 9.276 -3.006 1.261 1.00 0.34 H new ATOM 0 HG3 LYS A 63 9.250 -3.878 2.781 1.00 0.34 H new ATOM 0 HD2 LYS A 63 9.166 -6.044 1.259 1.00 0.42 H new ATOM 0 HD3 LYS A 63 9.721 -4.977 -0.015 1.00 0.42 H new ATOM 0 HE2 LYS A 63 11.154 -5.394 2.645 1.00 0.96 H new ATOM 0 HE3 LYS A 63 11.582 -6.193 1.145 1.00 0.96 H new ATOM 0 HZ1 LYS A 63 12.971 -4.285 1.549 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 12.031 -4.037 0.157 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 11.616 -3.263 1.610 1.00 2.36 H new ATOM 932 N ILE A 64 4.618 -5.110 2.961 1.00 0.24 N ATOM 933 CA ILE A 64 3.462 -4.931 3.825 1.00 0.22 C ATOM 934 C ILE A 64 3.499 -5.947 4.985 1.00 0.21 C ATOM 935 O ILE A 64 3.305 -5.577 6.147 1.00 0.21 O ATOM 936 CB ILE A 64 2.164 -5.059 3.008 1.00 0.23 C ATOM 937 CG1 ILE A 64 1.889 -3.880 2.065 1.00 0.27 C ATOM 938 CG2 ILE A 64 0.971 -5.232 3.943 1.00 0.28 C ATOM 939 CD1 ILE A 64 1.463 -2.605 2.783 1.00 0.41 C ATOM 0 H ILE A 64 4.370 -5.219 1.978 1.00 0.24 H new ATOM 0 HA ILE A 64 3.490 -3.930 4.256 1.00 0.22 H new ATOM 0 HB ILE A 64 2.304 -5.937 2.378 1.00 0.23 H new ATOM 0 HG12 ILE A 64 2.787 -3.675 1.483 1.00 0.27 H new ATOM 0 HG13 ILE A 64 1.110 -4.166 1.359 1.00 0.27 H new ATOM 0 HG21 ILE A 64 0.058 -5.322 3.355 1.00 0.28 H new ATOM 0 HG22 ILE A 64 1.106 -6.132 4.543 1.00 0.28 H new ATOM 0 HG23 ILE A 64 0.896 -4.366 4.601 1.00 0.28 H new ATOM 0 HD11 ILE A 64 1.287 -1.817 2.051 1.00 0.41 H new ATOM 0 HD12 ILE A 64 0.547 -2.792 3.343 1.00 0.41 H new ATOM 0 HD13 ILE A 64 2.251 -2.293 3.469 1.00 0.41 H new ATOM 951 N GLU A 65 3.780 -7.219 4.676 1.00 0.21 N ATOM 952 CA GLU A 65 3.971 -8.253 5.684 1.00 0.21 C ATOM 953 C GLU A 65 4.991 -7.775 6.720 1.00 0.23 C ATOM 954 O GLU A 65 4.739 -7.835 7.922 1.00 0.26 O ATOM 955 CB GLU A 65 4.388 -9.557 4.992 1.00 0.20 C ATOM 956 CG GLU A 65 3.177 -10.355 4.481 1.00 0.23 C ATOM 957 CD GLU A 65 2.603 -11.286 5.545 1.00 0.30 C ATOM 958 OE1 GLU A 65 3.383 -12.136 6.028 1.00 1.87 O ATOM 959 OE2 GLU A 65 1.397 -11.148 5.843 1.00 1.71 O ATOM 0 H GLU A 65 3.880 -7.554 3.718 1.00 0.21 H new ATOM 0 HA GLU A 65 3.043 -8.451 6.220 1.00 0.21 H new ATOM 0 HB2 GLU A 65 5.049 -9.328 4.156 1.00 0.20 H new ATOM 0 HB3 GLU A 65 4.958 -10.171 5.690 1.00 0.20 H new ATOM 0 HG2 GLU A 65 2.402 -9.663 4.151 1.00 0.23 H new ATOM 0 HG3 GLU A 65 3.472 -10.941 3.611 1.00 0.23 H new ATOM 966 N LYS A 66 6.127 -7.233 6.273 1.00 0.24 N ATOM 967 CA LYS A 66 7.180 -6.774 7.153 1.00 0.27 C ATOM 968 C LYS A 66 6.794 -5.520 7.933 1.00 0.26 C ATOM 969 O LYS A 66 7.206 -5.369 9.081 1.00 0.31 O ATOM 970 CB LYS A 66 8.448 -6.538 6.337 1.00 0.33 C ATOM 971 CG LYS A 66 9.616 -7.099 7.142 1.00 0.54 C ATOM 972 CD LYS A 66 10.969 -6.830 6.484 1.00 1.57 C ATOM 973 CE LYS A 66 11.912 -7.952 6.936 1.00 2.39 C ATOM 974 NZ LYS A 66 13.333 -7.553 6.924 1.00 3.79 N ATOM 0 H LYS A 66 6.333 -7.104 5.282 1.00 0.24 H new ATOM 0 HA LYS A 66 7.356 -7.550 7.897 1.00 0.27 H new ATOM 0 HB2 LYS A 66 8.378 -7.030 5.367 1.00 0.33 H new ATOM 0 HB3 LYS A 66 8.589 -5.474 6.145 1.00 0.33 H new ATOM 0 HG2 LYS A 66 9.608 -6.660 8.140 1.00 0.54 H new ATOM 0 HG3 LYS A 66 9.484 -8.174 7.265 1.00 0.54 H new ATOM 0 HD2 LYS A 66 10.875 -6.818 5.398 1.00 1.57 H new ATOM 0 HD3 LYS A 66 11.357 -5.856 6.781 1.00 1.57 H new ATOM 0 HE2 LYS A 66 11.637 -8.266 7.943 1.00 2.39 H new ATOM 0 HE3 LYS A 66 11.778 -8.816 6.285 1.00 2.39 H new ATOM 0 HZ1 LYS A 66 13.920 -8.351 7.239 1.00 3.79 H new ATOM 0 HZ2 LYS A 66 13.609 -7.279 5.959 1.00 3.79 H new ATOM 0 HZ3 LYS A 66 13.473 -6.747 7.566 1.00 3.79 H new ATOM 988 N LEU A 67 6.008 -4.622 7.331 1.00 0.24 N ATOM 989 CA LEU A 67 5.366 -3.541 8.058 1.00 0.26 C ATOM 990 C LEU A 67 4.534 -4.090 9.227 1.00 0.26 C ATOM 991 O LEU A 67 4.276 -3.357 10.179 1.00 0.28 O ATOM 992 CB LEU A 67 4.513 -2.701 7.092 1.00 0.26 C ATOM 993 CG LEU A 67 5.257 -1.599 6.322 1.00 0.33 C ATOM 994 CD1 LEU A 67 5.907 -0.586 7.264 1.00 0.92 C ATOM 995 CD2 LEU A 67 6.282 -2.080 5.296 1.00 0.58 C ATOM 0 H LEU A 67 5.804 -4.630 6.332 1.00 0.24 H new ATOM 0 HA LEU A 67 6.130 -2.892 8.487 1.00 0.26 H new ATOM 0 HB2 LEU A 67 4.050 -3.373 6.369 1.00 0.26 H new ATOM 0 HB3 LEU A 67 3.706 -2.238 7.660 1.00 0.26 H new ATOM 0 HG LEU A 67 4.465 -1.121 5.745 1.00 0.33 H new ATOM 0 HD11 LEU A 67 6.422 0.176 6.679 1.00 0.92 H new ATOM 0 HD12 LEU A 67 5.139 -0.115 7.877 1.00 0.92 H new ATOM 0 HD13 LEU A 67 6.624 -1.096 7.908 1.00 0.92 H new ATOM 0 HD21 LEU A 67 6.745 -1.219 4.813 1.00 0.58 H new ATOM 0 HD22 LEU A 67 7.048 -2.671 5.797 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.784 -2.693 4.544 1.00 0.58 H new ATOM 1007 N GLY A 68 4.132 -5.365 9.173 1.00 0.25 N ATOM 1008 CA GLY A 68 3.464 -6.070 10.254 1.00 0.27 C ATOM 1009 C GLY A 68 1.967 -6.163 9.993 1.00 0.30 C ATOM 1010 O GLY A 68 1.189 -6.266 10.939 1.00 0.40 O ATOM 0 H GLY A 68 4.271 -5.946 8.346 1.00 0.25 H new ATOM 0 HA2 GLY A 68 3.883 -7.071 10.355 1.00 0.27 H new ATOM 0 HA3 GLY A 68 3.642 -5.553 11.197 1.00 0.27 H new ATOM 1014 N TYR A 69 1.555 -6.092 8.722 1.00 0.25 N ATOM 1015 CA TYR A 69 0.148 -6.093 8.352 1.00 0.28 C ATOM 1016 C TYR A 69 -0.020 -6.921 7.104 1.00 0.26 C ATOM 1017 O TYR A 69 0.943 -7.290 6.445 1.00 0.26 O ATOM 1018 CB TYR A 69 -0.345 -4.661 8.133 1.00 0.29 C ATOM 1019 CG TYR A 69 -0.185 -3.784 9.355 1.00 0.36 C ATOM 1020 CD1 TYR A 69 1.058 -3.182 9.608 1.00 1.52 C ATOM 1021 CD2 TYR A 69 -1.276 -3.517 10.201 1.00 1.71 C ATOM 1022 CE1 TYR A 69 1.211 -2.303 10.688 1.00 1.51 C ATOM 1023 CE2 TYR A 69 -1.138 -2.588 11.247 1.00 1.79 C ATOM 1024 CZ TYR A 69 0.107 -1.987 11.497 1.00 0.60 C ATOM 1025 OH TYR A 69 0.215 -1.029 12.459 1.00 0.74 O ATOM 0 H TYR A 69 2.192 -6.033 7.927 1.00 0.25 H new ATOM 0 HA TYR A 69 -0.449 -6.526 9.154 1.00 0.28 H new ATOM 0 HB2 TYR A 69 0.203 -4.218 7.301 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -1.396 -4.685 7.846 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.900 -3.398 8.967 1.00 1.52 H new ATOM 0 HD2 TYR A 69 -2.217 -4.024 10.048 1.00 1.71 H new ATOM 0 HE1 TYR A 69 2.177 -1.869 10.898 1.00 1.51 H new ATOM 0 HE2 TYR A 69 -1.991 -2.336 11.860 1.00 1.79 H new ATOM 0 HH TYR A 69 -0.642 -0.936 12.925 1.00 0.74 H new ATOM 1035 N HIS A 70 -1.274 -7.214 6.806 1.00 0.30 N ATOM 1036 CA HIS A 70 -1.682 -8.070 5.723 1.00 0.28 C ATOM 1037 C HIS A 70 -2.566 -7.173 4.862 1.00 0.26 C ATOM 1038 O HIS A 70 -3.517 -6.582 5.376 1.00 0.32 O ATOM 1039 CB HIS A 70 -2.357 -9.285 6.385 1.00 0.50 C ATOM 1040 CG HIS A 70 -3.349 -10.073 5.577 1.00 1.53 C ATOM 1041 ND1 HIS A 70 -4.567 -9.593 5.188 1.00 2.79 N flip ATOM 1042 CD2 HIS A 70 -3.434 -11.448 5.558 1.00 2.44 C flip ATOM 1043 CE1 HIS A 70 -5.398 -10.676 4.900 1.00 3.62 C flip ATOM 1044 NE2 HIS A 70 -4.666 -11.776 5.131 1.00 3.39 N flip ATOM 0 H HIS A 70 -2.062 -6.844 7.338 1.00 0.30 H new ATOM 0 HA HIS A 70 -0.910 -8.483 5.074 1.00 0.28 H new ATOM 0 HB2 HIS A 70 -1.571 -9.969 6.706 1.00 0.50 H new ATOM 0 HB3 HIS A 70 -2.863 -8.936 7.285 1.00 0.50 H new ATOM 0 HD2 HIS A 70 -2.651 -12.138 5.836 1.00 2.44 H new ATOM 0 HE1 HIS A 70 -6.422 -10.637 4.560 1.00 3.62 H new ATOM 0 HE2 HIS A 70 -4.999 -12.731 5.000 1.00 3.39 H new ATOM 1052 N VAL A 71 -2.215 -7.009 3.584 1.00 0.27 N ATOM 1053 CA VAL A 71 -3.080 -6.342 2.606 1.00 0.27 C ATOM 1054 C VAL A 71 -3.798 -7.390 1.755 1.00 0.36 C ATOM 1055 O VAL A 71 -3.194 -8.407 1.416 1.00 0.57 O ATOM 1056 CB VAL A 71 -2.305 -5.297 1.782 1.00 0.32 C ATOM 1057 CG1 VAL A 71 -1.316 -5.911 0.790 1.00 0.50 C ATOM 1058 CG2 VAL A 71 -3.244 -4.361 1.025 1.00 0.38 C ATOM 0 H VAL A 71 -1.328 -7.333 3.199 1.00 0.27 H new ATOM 0 HA VAL A 71 -3.849 -5.773 3.129 1.00 0.27 H new ATOM 0 HB VAL A 71 -1.734 -4.732 2.519 1.00 0.32 H new ATOM 0 HG11 VAL A 71 -0.807 -5.116 0.245 1.00 0.50 H new ATOM 0 HG12 VAL A 71 -0.582 -6.508 1.331 1.00 0.50 H new ATOM 0 HG13 VAL A 71 -1.854 -6.546 0.086 1.00 0.50 H new ATOM 0 HG21 VAL A 71 -2.658 -3.639 0.456 1.00 0.38 H new ATOM 0 HG22 VAL A 71 -3.865 -4.942 0.343 1.00 0.38 H new ATOM 0 HG23 VAL A 71 -3.881 -3.833 1.734 1.00 0.38 H new ATOM 1068 N VAL A 72 -5.072 -7.155 1.422 1.00 0.28 N ATOM 1069 CA VAL A 72 -5.821 -8.036 0.528 1.00 0.42 C ATOM 1070 C VAL A 72 -5.821 -7.442 -0.878 1.00 0.62 C ATOM 1071 O VAL A 72 -5.579 -6.251 -1.034 1.00 1.15 O ATOM 1072 CB VAL A 72 -7.258 -8.257 1.024 1.00 0.58 C ATOM 1073 CG1 VAL A 72 -7.282 -8.920 2.399 1.00 0.82 C ATOM 1074 CG2 VAL A 72 -8.084 -6.976 1.125 1.00 1.17 C ATOM 0 H VAL A 72 -5.606 -6.356 1.763 1.00 0.28 H new ATOM 0 HA VAL A 72 -5.335 -9.011 0.513 1.00 0.42 H new ATOM 0 HB VAL A 72 -7.704 -8.902 0.267 1.00 0.58 H new ATOM 0 HG11 VAL A 72 -8.315 -9.060 2.717 1.00 0.82 H new ATOM 0 HG12 VAL A 72 -6.784 -9.888 2.345 1.00 0.82 H new ATOM 0 HG13 VAL A 72 -6.764 -8.285 3.118 1.00 0.82 H new ATOM 0 HG21 VAL A 72 -9.086 -7.216 1.482 1.00 1.17 H new ATOM 0 HG22 VAL A 72 -7.605 -6.288 1.822 1.00 1.17 H new ATOM 0 HG23 VAL A 72 -8.151 -6.508 0.143 1.00 1.17 H new ATOM 1084 N ILE A 73 -6.118 -8.257 -1.897 1.00 0.45 N ATOM 1085 CA ILE A 73 -6.237 -7.824 -3.284 1.00 0.54 C ATOM 1086 C ILE A 73 -7.582 -8.328 -3.808 1.00 0.65 C ATOM 1087 O ILE A 73 -7.646 -9.322 -4.526 1.00 0.94 O ATOM 1088 CB ILE A 73 -5.047 -8.354 -4.111 1.00 0.76 C ATOM 1089 CG1 ILE A 73 -3.689 -8.029 -3.466 1.00 1.01 C ATOM 1090 CG2 ILE A 73 -5.088 -7.811 -5.548 1.00 0.91 C ATOM 1091 CD1 ILE A 73 -3.358 -6.535 -3.481 1.00 0.63 C ATOM 0 H ILE A 73 -6.285 -9.255 -1.772 1.00 0.45 H new ATOM 0 HA ILE A 73 -6.207 -6.737 -3.365 1.00 0.54 H new ATOM 0 HB ILE A 73 -5.149 -9.439 -4.135 1.00 0.76 H new ATOM 0 HG12 ILE A 73 -3.689 -8.384 -2.436 1.00 1.01 H new ATOM 0 HG13 ILE A 73 -2.905 -8.574 -3.991 1.00 1.01 H new ATOM 0 HG21 ILE A 73 -4.238 -8.200 -6.108 1.00 0.91 H new ATOM 0 HG22 ILE A 73 -6.014 -8.125 -6.029 1.00 0.91 H new ATOM 0 HG23 ILE A 73 -5.041 -6.722 -5.527 1.00 0.91 H new ATOM 0 HD11 ILE A 73 -2.388 -6.373 -3.012 1.00 0.63 H new ATOM 0 HD12 ILE A 73 -3.327 -6.180 -4.511 1.00 0.63 H new ATOM 0 HD13 ILE A 73 -4.123 -5.987 -2.931 1.00 0.63 H new ATOM 1103 N GLU A 74 -8.656 -7.635 -3.425 1.00 0.77 N ATOM 1104 CA GLU A 74 -10.005 -7.888 -3.902 1.00 1.08 C ATOM 1105 C GLU A 74 -10.477 -6.602 -4.581 1.00 1.43 C ATOM 1106 O GLU A 74 -10.513 -5.557 -3.930 1.00 1.86 O ATOM 1107 CB GLU A 74 -10.901 -8.317 -2.728 1.00 1.60 C ATOM 1108 CG GLU A 74 -11.748 -9.539 -3.106 1.00 2.44 C ATOM 1109 CD GLU A 74 -12.573 -10.027 -1.923 1.00 3.27 C ATOM 1110 OE1 GLU A 74 -13.619 -9.395 -1.667 1.00 3.72 O ATOM 1111 OE2 GLU A 74 -12.139 -11.019 -1.302 1.00 4.18 O ATOM 0 H GLU A 74 -8.604 -6.865 -2.758 1.00 0.77 H new ATOM 0 HA GLU A 74 -10.046 -8.706 -4.621 1.00 1.08 H new ATOM 0 HB2 GLU A 74 -10.284 -8.551 -1.861 1.00 1.60 H new ATOM 0 HB3 GLU A 74 -11.553 -7.492 -2.442 1.00 1.60 H new ATOM 0 HG2 GLU A 74 -12.410 -9.283 -3.933 1.00 2.44 H new ATOM 0 HG3 GLU A 74 -11.098 -10.341 -3.454 1.00 2.44 H new ATOM 1118 N GLY A 75 -10.772 -6.689 -5.885 1.00 1.90 N ATOM 1119 CA GLY A 75 -11.075 -5.552 -6.746 1.00 2.66 C ATOM 1120 C GLY A 75 -9.791 -4.852 -7.206 1.00 3.48 C ATOM 1121 O GLY A 75 -8.833 -4.758 -6.442 1.00 4.85 O ATOM 0 H GLY A 75 -10.806 -7.581 -6.378 1.00 1.90 H new ATOM 0 HA2 GLY A 75 -11.640 -5.890 -7.615 1.00 2.66 H new ATOM 0 HA3 GLY A 75 -11.707 -4.844 -6.210 1.00 2.66 H new ATOM 1125 N ARG A 76 -9.757 -4.398 -8.466 1.00 3.53 N ATOM 1126 CA ARG A 76 -8.657 -3.703 -9.122 1.00 4.56 C ATOM 1127 C ARG A 76 -9.141 -3.387 -10.539 1.00 5.12 C ATOM 1128 O ARG A 76 -8.361 -2.779 -11.304 1.00 6.15 O ATOM 1129 CB ARG A 76 -7.388 -4.571 -9.166 1.00 4.82 C ATOM 1130 CG ARG A 76 -7.604 -5.809 -10.050 1.00 4.90 C ATOM 1131 CD ARG A 76 -6.633 -6.957 -9.729 1.00 5.93 C ATOM 1132 NE ARG A 76 -5.617 -7.166 -10.775 1.00 6.68 N ATOM 1133 CZ ARG A 76 -5.870 -7.646 -12.004 1.00 7.16 C ATOM 1134 NH1 ARG A 76 -7.136 -7.799 -12.409 1.00 6.99 N ATOM 1135 NH2 ARG A 76 -4.860 -7.973 -12.818 1.00 8.27 N ATOM 1136 OXT ARG A 76 -10.274 -3.832 -10.840 1.00 5.27 O ATOM 0 H ARG A 76 -10.554 -4.518 -9.091 1.00 3.53 H new ATOM 0 HA ARG A 76 -8.390 -2.798 -8.575 1.00 4.56 H new ATOM 0 HB2 ARG A 76 -6.554 -3.984 -9.551 1.00 4.82 H new ATOM 0 HB3 ARG A 76 -7.119 -4.882 -8.156 1.00 4.82 H new ATOM 0 HG2 ARG A 76 -8.628 -6.162 -9.926 1.00 4.90 H new ATOM 0 HG3 ARG A 76 -7.489 -5.526 -11.096 1.00 4.90 H new ATOM 0 HD2 ARG A 76 -6.134 -6.748 -8.783 1.00 5.93 H new ATOM 0 HD3 ARG A 76 -7.201 -7.878 -9.594 1.00 5.93 H new ATOM 0 HE ARG A 76 -4.651 -6.929 -10.550 1.00 6.68 H new ATOM 0 HH11 ARG A 76 -7.904 -7.552 -11.785 1.00 6.99 H new ATOM 0 HH12 ARG A 76 -7.333 -8.163 -13.341 1.00 6.99 H new ATOM 0 HH21 ARG A 76 -3.896 -7.858 -12.506 1.00 8.27 H new ATOM 0 HH22 ARG A 76 -5.054 -8.337 -13.751 1.00 8.27 H new TER 1150 ARG A 76