USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 1 ASN : amide:sc= 0.472 K(o=0.47,f=-6.8!) USER MOD Single : A 1 ASN N :NH3+ 164:sc= 1.19 (180deg=0.772) USER MOD Single : A 2 SER OG : rot 158:sc= 0.685 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 1.15 (180deg=0.778) USER MOD Single : A 5 CYS SG : rot -58:sc= -0.899 USER MOD Single : A 6 TYR OH : rot 52:sc= 1.28 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 10 THR OG1 : rot 51:sc= 0.893 USER MOD Single : A 16 SER OG : rot 180:sc= -0.165 USER MOD Single : A 20 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.044) USER MOD Single : A 24 ASN : amide:sc= -7.7! C(o=-7.7!,f=-7.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0.699 (180deg=0.651) USER MOD Single : A 47 TYR OH : rot -153:sc= 1.27 USER MOD Single : A 48 ASN : amide:sc= -1.02 K(o=-1,f=-2.6) USER MOD Single : A 53 GLN : amide:sc= 0.42 X(o=0.42,f=-0.043) USER MOD Single : A 56 MET CE :methyl 175:sc= -0.0104 (180deg=-0.091) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.02 K(o=1,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -1.882 16.475 -9.245 1.00 3.94 N ATOM 2 CA ASN A 1 -1.398 16.317 -7.858 1.00 3.47 C ATOM 3 C ASN A 1 -1.507 14.844 -7.492 1.00 2.54 C ATOM 4 O ASN A 1 -2.273 14.139 -8.147 1.00 3.09 O ATOM 5 CB ASN A 1 -2.195 17.175 -6.860 1.00 5.02 C ATOM 6 CG ASN A 1 -2.194 18.653 -7.244 1.00 5.88 C ATOM 7 OD1 ASN A 1 -2.086 18.967 -8.426 1.00 5.57 O ATOM 8 ND2 ASN A 1 -2.318 19.557 -6.279 1.00 7.29 N ATOM 0 H1 ASN A 1 -2.076 17.479 -9.433 1.00 3.94 H new ATOM 0 H2 ASN A 1 -1.156 16.133 -9.907 1.00 3.94 H new ATOM 0 H3 ASN A 1 -2.755 15.924 -9.373 1.00 3.94 H new ATOM 0 HA ASN A 1 -0.365 16.659 -7.802 1.00 3.47 H new ATOM 0 HB2 ASN A 1 -3.222 16.814 -6.812 1.00 5.02 H new ATOM 0 HB3 ASN A 1 -1.770 17.060 -5.863 1.00 5.02 H new ATOM 0 HD21 ASN A 1 -2.326 20.551 -6.509 1.00 7.29 H new ATOM 0 HD22 ASN A 1 -2.405 19.258 -5.308 1.00 7.29 H new ATOM 17 N SER A 2 -0.749 14.385 -6.497 1.00 2.06 N ATOM 18 CA SER A 2 -0.660 12.987 -6.118 1.00 1.30 C ATOM 19 C SER A 2 -2.037 12.392 -5.797 1.00 1.51 C ATOM 20 O SER A 2 -2.724 12.858 -4.883 1.00 2.53 O ATOM 21 CB SER A 2 0.304 12.893 -4.937 1.00 1.86 C ATOM 22 OG SER A 2 1.374 13.799 -5.161 1.00 2.66 O ATOM 0 H SER A 2 -0.168 14.995 -5.922 1.00 2.06 H new ATOM 0 HA SER A 2 -0.282 12.394 -6.951 1.00 1.30 H new ATOM 0 HB2 SER A 2 -0.210 13.135 -4.007 1.00 1.86 H new ATOM 0 HB3 SER A 2 0.683 11.876 -4.836 1.00 1.86 H new ATOM 0 HG SER A 2 1.803 14.016 -4.307 1.00 2.66 H new ATOM 28 N SER A 3 -2.443 11.379 -6.562 1.00 0.69 N ATOM 29 CA SER A 3 -3.794 10.832 -6.552 1.00 0.71 C ATOM 30 C SER A 3 -3.900 9.675 -5.561 1.00 0.49 C ATOM 31 O SER A 3 -2.879 9.149 -5.121 1.00 0.57 O ATOM 32 CB SER A 3 -4.201 10.387 -7.959 1.00 0.98 C ATOM 33 OG SER A 3 -5.606 10.226 -8.002 1.00 2.58 O ATOM 0 H SER A 3 -1.824 10.906 -7.221 1.00 0.69 H new ATOM 0 HA SER A 3 -4.481 11.614 -6.230 1.00 0.71 H new ATOM 0 HB2 SER A 3 -3.884 11.127 -8.694 1.00 0.98 H new ATOM 0 HB3 SER A 3 -3.707 9.450 -8.216 1.00 0.98 H new ATOM 0 HG SER A 3 -5.875 9.943 -8.901 1.00 2.58 H new ATOM 39 N LYS A 4 -5.137 9.319 -5.204 1.00 0.60 N ATOM 40 CA LYS A 4 -5.482 8.316 -4.201 1.00 0.66 C ATOM 41 C LYS A 4 -5.581 6.935 -4.855 1.00 0.65 C ATOM 42 O LYS A 4 -5.759 6.836 -6.068 1.00 1.22 O ATOM 43 CB LYS A 4 -6.826 8.708 -3.556 1.00 1.32 C ATOM 44 CG LYS A 4 -7.167 7.888 -2.297 1.00 1.57 C ATOM 45 CD LYS A 4 -8.510 8.298 -1.667 1.00 2.27 C ATOM 46 CE LYS A 4 -9.679 7.392 -2.088 1.00 3.40 C ATOM 47 NZ LYS A 4 -9.990 7.479 -3.525 1.00 4.59 N ATOM 0 H LYS A 4 -5.962 9.744 -5.628 1.00 0.60 H new ATOM 0 HA LYS A 4 -4.709 8.272 -3.433 1.00 0.66 H new ATOM 0 HB2 LYS A 4 -6.799 9.766 -3.295 1.00 1.32 H new ATOM 0 HB3 LYS A 4 -7.622 8.581 -4.289 1.00 1.32 H new ATOM 0 HG2 LYS A 4 -7.200 6.830 -2.556 1.00 1.57 H new ATOM 0 HG3 LYS A 4 -6.372 8.012 -1.561 1.00 1.57 H new ATOM 0 HD2 LYS A 4 -8.416 8.277 -0.581 1.00 2.27 H new ATOM 0 HD3 LYS A 4 -8.737 9.327 -1.948 1.00 2.27 H new ATOM 0 HE2 LYS A 4 -9.439 6.359 -1.836 1.00 3.40 H new ATOM 0 HE3 LYS A 4 -10.565 7.662 -1.514 1.00 3.40 H new ATOM 0 HZ1 LYS A 4 -10.838 6.913 -3.732 1.00 4.59 H new ATOM 0 HZ2 LYS A 4 -10.165 8.471 -3.783 1.00 4.59 H new ATOM 0 HZ3 LYS A 4 -9.187 7.115 -4.077 1.00 4.59 H new ATOM 61 N CYS A 5 -5.470 5.871 -4.056 1.00 0.57 N ATOM 62 CA CYS A 5 -6.061 4.569 -4.354 1.00 0.65 C ATOM 63 C CYS A 5 -6.269 3.834 -3.027 1.00 0.67 C ATOM 64 O CYS A 5 -5.645 4.193 -2.027 1.00 0.73 O ATOM 65 CB CYS A 5 -5.235 3.793 -5.392 1.00 0.76 C ATOM 66 SG CYS A 5 -5.975 2.201 -5.790 1.00 1.40 S ATOM 0 H CYS A 5 -4.960 5.892 -3.173 1.00 0.57 H new ATOM 0 HA CYS A 5 -7.034 4.682 -4.831 1.00 0.65 H new ATOM 0 HB2 CYS A 5 -5.144 4.388 -6.301 1.00 0.76 H new ATOM 0 HB3 CYS A 5 -4.226 3.638 -5.010 1.00 0.76 H new ATOM 0 HG CYS A 5 -6.096 1.495 -4.705 1.00 1.40 H new ATOM 72 N TYR A 6 -7.158 2.841 -3.002 1.00 0.73 N ATOM 73 CA TYR A 6 -7.327 1.886 -1.920 1.00 0.78 C ATOM 74 C TYR A 6 -6.776 0.552 -2.408 1.00 0.75 C ATOM 75 O TYR A 6 -6.904 0.234 -3.591 1.00 0.82 O ATOM 76 CB TYR A 6 -8.814 1.736 -1.588 1.00 0.86 C ATOM 77 CG TYR A 6 -9.364 2.778 -0.640 1.00 1.00 C ATOM 78 CD1 TYR A 6 -9.035 2.703 0.723 1.00 2.50 C ATOM 79 CD2 TYR A 6 -10.304 3.728 -1.080 1.00 1.65 C ATOM 80 CE1 TYR A 6 -9.661 3.563 1.639 1.00 2.78 C ATOM 81 CE2 TYR A 6 -10.849 4.650 -0.168 1.00 1.82 C ATOM 82 CZ TYR A 6 -10.438 4.633 1.173 1.00 1.72 C ATOM 83 OH TYR A 6 -10.792 5.632 2.024 1.00 2.12 O ATOM 0 H TYR A 6 -7.806 2.678 -3.772 1.00 0.73 H new ATOM 0 HA TYR A 6 -6.805 2.220 -1.023 1.00 0.78 H new ATOM 0 HB2 TYR A 6 -9.384 1.774 -2.516 1.00 0.86 H new ATOM 0 HB3 TYR A 6 -8.977 0.749 -1.154 1.00 0.86 H new ATOM 0 HD1 TYR A 6 -8.303 1.986 1.065 1.00 2.50 H new ATOM 0 HD2 TYR A 6 -10.607 3.749 -2.116 1.00 1.65 H new ATOM 0 HE1 TYR A 6 -9.544 3.401 2.700 1.00 2.78 H new ATOM 0 HE2 TYR A 6 -11.583 5.370 -0.500 1.00 1.82 H new ATOM 0 HH TYR A 6 -9.993 5.975 2.476 1.00 2.12 H new ATOM 93 N ILE A 7 -6.158 -0.224 -1.520 1.00 0.74 N ATOM 94 CA ILE A 7 -5.575 -1.518 -1.852 1.00 0.70 C ATOM 95 C ILE A 7 -5.917 -2.490 -0.723 1.00 0.86 C ATOM 96 O ILE A 7 -5.817 -2.125 0.446 1.00 1.11 O ATOM 97 CB ILE A 7 -4.047 -1.386 -2.041 1.00 0.68 C ATOM 98 CG1 ILE A 7 -3.680 -0.145 -2.871 1.00 1.10 C ATOM 99 CG2 ILE A 7 -3.464 -2.637 -2.714 1.00 0.78 C ATOM 100 CD1 ILE A 7 -2.188 -0.079 -3.199 1.00 1.68 C ATOM 0 H ILE A 7 -6.048 0.033 -0.539 1.00 0.74 H new ATOM 0 HA ILE A 7 -5.981 -1.893 -2.791 1.00 0.70 H new ATOM 0 HB ILE A 7 -3.616 -1.278 -1.046 1.00 0.68 H new ATOM 0 HG12 ILE A 7 -4.253 -0.150 -3.799 1.00 1.10 H new ATOM 0 HG13 ILE A 7 -3.968 0.752 -2.323 1.00 1.10 H new ATOM 0 HG21 ILE A 7 -2.387 -2.517 -2.835 1.00 0.78 H new ATOM 0 HG22 ILE A 7 -3.664 -3.511 -2.094 1.00 0.78 H new ATOM 0 HG23 ILE A 7 -3.926 -2.773 -3.692 1.00 0.78 H new ATOM 0 HD11 ILE A 7 -1.984 0.816 -3.786 1.00 1.68 H new ATOM 0 HD12 ILE A 7 -1.613 -0.045 -2.274 1.00 1.68 H new ATOM 0 HD13 ILE A 7 -1.902 -0.961 -3.771 1.00 1.68 H new ATOM 112 N GLN A 8 -6.275 -3.737 -1.032 1.00 0.91 N ATOM 113 CA GLN A 8 -6.469 -4.730 0.016 1.00 1.08 C ATOM 114 C GLN A 8 -5.077 -5.166 0.450 1.00 1.20 C ATOM 115 O GLN A 8 -4.180 -5.223 -0.388 1.00 1.68 O ATOM 116 CB GLN A 8 -7.200 -5.971 -0.513 1.00 1.82 C ATOM 117 CG GLN A 8 -8.540 -5.658 -1.183 1.00 1.76 C ATOM 118 CD GLN A 8 -9.331 -6.923 -1.512 1.00 3.25 C ATOM 119 OE1 GLN A 8 -8.836 -8.035 -1.376 1.00 4.65 O ATOM 120 NE2 GLN A 8 -10.573 -6.765 -1.959 1.00 4.31 N ATOM 0 H GLN A 8 -6.433 -4.076 -1.981 1.00 0.91 H new ATOM 0 HA GLN A 8 -7.062 -4.301 0.824 1.00 1.08 H new ATOM 0 HB2 GLN A 8 -6.557 -6.483 -1.229 1.00 1.82 H new ATOM 0 HB3 GLN A 8 -7.370 -6.661 0.313 1.00 1.82 H new ATOM 0 HG2 GLN A 8 -9.133 -5.022 -0.526 1.00 1.76 H new ATOM 0 HG3 GLN A 8 -8.363 -5.094 -2.099 1.00 1.76 H new ATOM 0 HE21 GLN A 8 -10.962 -5.828 -2.063 1.00 4.31 H new ATOM 0 HE22 GLN A 8 -11.137 -7.581 -2.198 1.00 4.31 H new ATOM 129 N VAL A 9 -4.882 -5.474 1.733 1.00 1.01 N ATOM 130 CA VAL A 9 -3.638 -6.046 2.217 1.00 1.16 C ATOM 131 C VAL A 9 -3.970 -7.170 3.196 1.00 1.36 C ATOM 132 O VAL A 9 -4.750 -6.975 4.128 1.00 1.62 O ATOM 133 CB VAL A 9 -2.756 -4.959 2.854 1.00 1.16 C ATOM 134 CG1 VAL A 9 -2.248 -3.992 1.778 1.00 2.09 C ATOM 135 CG2 VAL A 9 -3.455 -4.164 3.968 1.00 2.16 C ATOM 0 H VAL A 9 -5.584 -5.332 2.459 1.00 1.01 H new ATOM 0 HA VAL A 9 -3.064 -6.464 1.390 1.00 1.16 H new ATOM 0 HB VAL A 9 -1.924 -5.486 3.321 1.00 1.16 H new ATOM 0 HG11 VAL A 9 -1.625 -3.227 2.241 1.00 2.09 H new ATOM 0 HG12 VAL A 9 -1.661 -4.542 1.042 1.00 2.09 H new ATOM 0 HG13 VAL A 9 -3.097 -3.519 1.284 1.00 2.09 H new ATOM 0 HG21 VAL A 9 -2.769 -3.417 4.367 1.00 2.16 H new ATOM 0 HG22 VAL A 9 -4.336 -3.667 3.562 1.00 2.16 H new ATOM 0 HG23 VAL A 9 -3.756 -4.843 4.766 1.00 2.16 H new ATOM 145 N THR A 10 -3.411 -8.363 2.983 1.00 1.41 N ATOM 146 CA THR A 10 -3.739 -9.532 3.782 1.00 1.56 C ATOM 147 C THR A 10 -2.981 -9.493 5.115 1.00 1.65 C ATOM 148 O THR A 10 -2.145 -10.363 5.354 1.00 2.08 O ATOM 149 CB THR A 10 -3.430 -10.802 2.970 1.00 1.95 C ATOM 150 OG1 THR A 10 -2.063 -10.825 2.609 1.00 3.66 O ATOM 151 CG2 THR A 10 -4.284 -10.877 1.702 1.00 1.88 C ATOM 0 H THR A 10 -2.721 -8.540 2.253 1.00 1.41 H new ATOM 0 HA THR A 10 -4.802 -9.537 4.023 1.00 1.56 H new ATOM 0 HB THR A 10 -3.665 -11.661 3.598 1.00 1.95 H new ATOM 0 HG1 THR A 10 -1.512 -10.673 3.405 1.00 3.66 H new ATOM 0 HG21 THR A 10 -4.040 -11.786 1.152 1.00 1.88 H new ATOM 0 HG22 THR A 10 -5.339 -10.890 1.974 1.00 1.88 H new ATOM 0 HG23 THR A 10 -4.081 -10.009 1.075 1.00 1.88 H new ATOM 159 N GLY A 11 -3.275 -8.500 5.963 1.00 1.75 N ATOM 160 CA GLY A 11 -2.803 -8.461 7.344 1.00 1.89 C ATOM 161 C GLY A 11 -2.675 -7.060 7.896 1.00 2.17 C ATOM 162 O GLY A 11 -1.687 -6.621 8.471 1.00 3.28 O ATOM 0 H GLY A 11 -3.851 -7.699 5.705 1.00 1.75 H new ATOM 0 HA2 GLY A 11 -3.490 -9.029 7.971 1.00 1.89 H new ATOM 0 HA3 GLY A 11 -1.834 -8.957 7.403 1.00 1.89 H new ATOM 166 N MET A 12 -3.819 -6.434 7.787 1.00 1.85 N ATOM 167 CA MET A 12 -4.408 -5.598 8.790 1.00 2.07 C ATOM 168 C MET A 12 -4.258 -6.265 10.160 1.00 2.28 C ATOM 169 O MET A 12 -3.828 -5.646 11.128 1.00 3.01 O ATOM 170 CB MET A 12 -5.871 -5.537 8.361 1.00 2.06 C ATOM 171 CG MET A 12 -6.767 -4.772 9.312 1.00 2.97 C ATOM 172 SD MET A 12 -7.293 -5.512 10.882 1.00 4.20 S ATOM 173 CE MET A 12 -8.441 -6.773 10.296 1.00 4.26 C ATOM 0 H MET A 12 -4.393 -6.501 6.947 1.00 1.85 H new ATOM 0 HA MET A 12 -3.955 -4.611 8.877 1.00 2.07 H new ATOM 0 HB2 MET A 12 -5.930 -5.076 7.375 1.00 2.06 H new ATOM 0 HB3 MET A 12 -6.251 -6.554 8.261 1.00 2.06 H new ATOM 0 HG2 MET A 12 -6.258 -3.838 9.552 1.00 2.97 H new ATOM 0 HG3 MET A 12 -7.671 -4.510 8.762 1.00 2.97 H new ATOM 0 HE1 MET A 12 -8.850 -7.316 11.148 1.00 4.26 H new ATOM 0 HE2 MET A 12 -9.252 -6.298 9.744 1.00 4.26 H new ATOM 0 HE3 MET A 12 -7.915 -7.468 9.641 1.00 4.26 H new ATOM 183 N THR A 13 -4.664 -7.536 10.210 1.00 2.34 N ATOM 184 CA THR A 13 -4.857 -8.316 11.412 1.00 3.18 C ATOM 185 C THR A 13 -3.550 -8.606 12.147 1.00 2.47 C ATOM 186 O THR A 13 -3.558 -8.744 13.369 1.00 3.12 O ATOM 187 CB THR A 13 -5.548 -9.628 11.006 1.00 4.37 C ATOM 188 OG1 THR A 13 -6.278 -9.439 9.803 1.00 5.37 O ATOM 189 CG2 THR A 13 -6.494 -10.107 12.111 1.00 5.10 C ATOM 0 H THR A 13 -4.875 -8.066 9.364 1.00 2.34 H new ATOM 0 HA THR A 13 -5.470 -7.744 12.109 1.00 3.18 H new ATOM 0 HB THR A 13 -4.780 -10.386 10.850 1.00 4.37 H new ATOM 0 HG1 THR A 13 -6.714 -10.279 9.550 1.00 5.37 H new ATOM 0 HG21 THR A 13 -6.972 -11.037 11.803 1.00 5.10 H new ATOM 0 HG22 THR A 13 -5.928 -10.277 13.027 1.00 5.10 H new ATOM 0 HG23 THR A 13 -7.256 -9.349 12.291 1.00 5.10 H new ATOM 197 N CYS A 14 -2.453 -8.783 11.403 1.00 1.65 N ATOM 198 CA CYS A 14 -1.203 -9.208 11.998 1.00 1.38 C ATOM 199 C CYS A 14 -0.739 -8.156 13.009 1.00 1.57 C ATOM 200 O CYS A 14 -0.836 -6.954 12.756 1.00 2.82 O ATOM 201 CB CYS A 14 -0.112 -9.356 10.942 1.00 1.53 C ATOM 202 SG CYS A 14 -0.631 -10.300 9.493 1.00 2.29 S ATOM 0 H CYS A 14 -2.415 -8.637 10.394 1.00 1.65 H new ATOM 0 HA CYS A 14 -1.372 -10.171 12.480 1.00 1.38 H new ATOM 0 HB2 CYS A 14 0.210 -8.365 10.623 1.00 1.53 H new ATOM 0 HB3 CYS A 14 0.753 -9.843 11.392 1.00 1.53 H new ATOM 207 N ALA A 15 -0.143 -8.595 14.116 1.00 1.88 N ATOM 208 CA ALA A 15 0.630 -7.670 14.925 1.00 1.93 C ATOM 209 C ALA A 15 1.786 -7.137 14.074 1.00 1.76 C ATOM 210 O ALA A 15 2.338 -7.853 13.240 1.00 2.55 O ATOM 211 CB ALA A 15 1.141 -8.371 16.186 1.00 2.44 C ATOM 0 H ALA A 15 -0.180 -9.554 14.461 1.00 1.88 H new ATOM 0 HA ALA A 15 0.008 -6.835 15.248 1.00 1.93 H new ATOM 0 HB1 ALA A 15 1.719 -7.667 16.785 1.00 2.44 H new ATOM 0 HB2 ALA A 15 0.294 -8.733 16.769 1.00 2.44 H new ATOM 0 HB3 ALA A 15 1.774 -9.212 15.903 1.00 2.44 H new ATOM 217 N SER A 16 2.177 -5.884 14.292 1.00 1.67 N ATOM 218 CA SER A 16 3.260 -5.210 13.582 1.00 1.77 C ATOM 219 C SER A 16 2.823 -4.699 12.213 1.00 1.40 C ATOM 220 O SER A 16 2.926 -3.504 11.990 1.00 1.69 O ATOM 221 CB SER A 16 4.514 -6.075 13.393 1.00 2.46 C ATOM 222 OG SER A 16 4.703 -6.991 14.452 1.00 3.19 O ATOM 0 H SER A 16 1.733 -5.290 14.992 1.00 1.67 H new ATOM 0 HA SER A 16 3.517 -4.372 14.231 1.00 1.77 H new ATOM 0 HB2 SER A 16 4.436 -6.622 12.453 1.00 2.46 H new ATOM 0 HB3 SER A 16 5.389 -5.429 13.315 1.00 2.46 H new ATOM 0 HG SER A 16 5.511 -7.520 14.287 1.00 3.19 H new ATOM 228 N CYS A 17 2.431 -5.599 11.301 1.00 1.49 N ATOM 229 CA CYS A 17 2.472 -5.425 9.845 1.00 1.63 C ATOM 230 C CYS A 17 2.159 -4.011 9.367 1.00 1.33 C ATOM 231 O CYS A 17 2.903 -3.451 8.574 1.00 1.38 O ATOM 232 CB CYS A 17 1.552 -6.442 9.160 1.00 1.99 C ATOM 233 SG CYS A 17 2.360 -8.070 9.168 1.00 3.07 S ATOM 0 H CYS A 17 2.060 -6.510 11.572 1.00 1.49 H new ATOM 0 HA CYS A 17 3.508 -5.605 9.556 1.00 1.63 H new ATOM 0 HB2 CYS A 17 0.595 -6.494 9.680 1.00 1.99 H new ATOM 0 HB3 CYS A 17 1.342 -6.131 8.137 1.00 1.99 H new ATOM 238 N VAL A 18 1.079 -3.415 9.853 1.00 1.15 N ATOM 239 CA VAL A 18 0.673 -2.054 9.592 1.00 1.13 C ATOM 240 C VAL A 18 1.838 -1.036 9.664 1.00 0.90 C ATOM 241 O VAL A 18 1.980 -0.168 8.801 1.00 1.03 O ATOM 242 CB VAL A 18 -0.513 -1.826 10.548 1.00 1.41 C ATOM 243 CG1 VAL A 18 -0.472 -0.493 11.264 1.00 2.13 C ATOM 244 CG2 VAL A 18 -1.792 -2.223 9.808 1.00 2.67 C ATOM 0 H VAL A 18 0.431 -3.901 10.473 1.00 1.15 H new ATOM 0 HA VAL A 18 0.353 -1.888 8.563 1.00 1.13 H new ATOM 0 HB VAL A 18 -0.459 -2.479 11.419 1.00 1.41 H new ATOM 0 HG11 VAL A 18 -1.339 -0.405 11.919 1.00 2.13 H new ATOM 0 HG12 VAL A 18 0.440 -0.427 11.858 1.00 2.13 H new ATOM 0 HG13 VAL A 18 -0.487 0.314 10.532 1.00 2.13 H new ATOM 0 HG21 VAL A 18 -2.652 -2.072 10.461 1.00 2.67 H new ATOM 0 HG22 VAL A 18 -1.902 -1.607 8.915 1.00 2.67 H new ATOM 0 HG23 VAL A 18 -1.735 -3.273 9.520 1.00 2.67 H new ATOM 254 N ALA A 19 2.697 -1.164 10.674 1.00 0.75 N ATOM 255 CA ALA A 19 3.951 -0.440 10.823 1.00 0.72 C ATOM 256 C ALA A 19 4.900 -0.714 9.654 1.00 0.79 C ATOM 257 O ALA A 19 5.531 0.200 9.118 1.00 0.85 O ATOM 258 CB ALA A 19 4.603 -0.885 12.137 1.00 0.82 C ATOM 0 H ALA A 19 2.526 -1.808 11.446 1.00 0.75 H new ATOM 0 HA ALA A 19 3.747 0.631 10.833 1.00 0.72 H new ATOM 0 HB1 ALA A 19 5.546 -0.356 12.273 1.00 0.82 H new ATOM 0 HB2 ALA A 19 3.937 -0.658 12.969 1.00 0.82 H new ATOM 0 HB3 ALA A 19 4.790 -1.958 12.105 1.00 0.82 H new ATOM 264 N ASN A 20 5.018 -1.986 9.262 1.00 0.91 N ATOM 265 CA ASN A 20 5.775 -2.349 8.079 1.00 1.08 C ATOM 266 C ASN A 20 5.167 -1.647 6.872 1.00 1.03 C ATOM 267 O ASN A 20 5.907 -0.998 6.155 1.00 1.08 O ATOM 268 CB ASN A 20 5.905 -3.868 7.889 1.00 1.30 C ATOM 269 CG ASN A 20 6.273 -4.210 6.449 1.00 1.57 C ATOM 270 OD1 ASN A 20 7.444 -4.343 6.114 1.00 1.82 O ATOM 271 ND2 ASN A 20 5.272 -4.336 5.581 1.00 1.67 N ATOM 0 H ASN A 20 4.596 -2.775 9.752 1.00 0.91 H new ATOM 0 HA ASN A 20 6.803 -2.008 8.203 1.00 1.08 H new ATOM 0 HB2 ASN A 20 6.666 -4.259 8.565 1.00 1.30 H new ATOM 0 HB3 ASN A 20 4.965 -4.353 8.153 1.00 1.30 H new ATOM 0 HD21 ASN A 20 5.469 -4.550 4.603 1.00 1.67 H new ATOM 0 HD22 ASN A 20 4.308 -4.219 5.894 1.00 1.67 H new ATOM 278 N ILE A 21 3.854 -1.735 6.640 1.00 1.03 N ATOM 279 CA ILE A 21 3.146 -1.011 5.608 1.00 1.20 C ATOM 280 C ILE A 21 3.587 0.467 5.607 1.00 1.02 C ATOM 281 O ILE A 21 4.155 0.934 4.629 1.00 1.07 O ATOM 282 CB ILE A 21 1.628 -1.276 5.697 1.00 1.42 C ATOM 283 CG1 ILE A 21 1.339 -2.791 5.770 1.00 2.02 C ATOM 284 CG2 ILE A 21 0.900 -0.670 4.499 1.00 1.60 C ATOM 285 CD1 ILE A 21 -0.042 -3.242 5.283 1.00 2.26 C ATOM 0 H ILE A 21 3.243 -2.337 7.192 1.00 1.03 H new ATOM 0 HA ILE A 21 3.413 -1.378 4.617 1.00 1.20 H new ATOM 0 HB ILE A 21 1.262 -0.803 6.608 1.00 1.42 H new ATOM 0 HG12 ILE A 21 2.096 -3.312 5.184 1.00 2.02 H new ATOM 0 HG13 ILE A 21 1.459 -3.113 6.804 1.00 2.02 H new ATOM 0 HG21 ILE A 21 -0.168 -0.869 4.583 1.00 1.60 H new ATOM 0 HG22 ILE A 21 1.068 0.407 4.478 1.00 1.60 H new ATOM 0 HG23 ILE A 21 1.280 -1.114 3.579 1.00 1.60 H new ATOM 0 HD11 ILE A 21 -0.127 -4.324 5.383 1.00 2.26 H new ATOM 0 HD12 ILE A 21 -0.814 -2.760 5.882 1.00 2.26 H new ATOM 0 HD13 ILE A 21 -0.168 -2.963 4.237 1.00 2.26 H new ATOM 297 N GLU A 22 3.434 1.206 6.700 1.00 0.86 N ATOM 298 CA GLU A 22 4.075 2.499 6.892 1.00 0.75 C ATOM 299 C GLU A 22 5.474 2.583 6.270 1.00 0.75 C ATOM 300 O GLU A 22 5.698 3.355 5.341 1.00 0.95 O ATOM 301 CB GLU A 22 4.009 2.923 8.370 1.00 0.79 C ATOM 302 CG GLU A 22 3.394 4.324 8.511 1.00 1.61 C ATOM 303 CD GLU A 22 4.438 5.369 8.927 1.00 3.21 C ATOM 304 OE1 GLU A 22 4.652 5.492 10.150 1.00 4.00 O ATOM 305 OE2 GLU A 22 5.048 6.009 8.036 1.00 4.27 O ATOM 0 H GLU A 22 2.853 0.919 7.488 1.00 0.86 H new ATOM 0 HA GLU A 22 3.505 3.240 6.331 1.00 0.75 H new ATOM 0 HB2 GLU A 22 3.416 2.203 8.933 1.00 0.79 H new ATOM 0 HB3 GLU A 22 5.011 2.916 8.800 1.00 0.79 H new ATOM 0 HG2 GLU A 22 2.943 4.619 7.564 1.00 1.61 H new ATOM 0 HG3 GLU A 22 2.594 4.296 9.250 1.00 1.61 H new ATOM 312 N ARG A 23 6.400 1.727 6.693 1.00 0.78 N ATOM 313 CA ARG A 23 7.705 1.661 6.042 1.00 1.16 C ATOM 314 C ARG A 23 7.655 1.303 4.545 1.00 1.39 C ATOM 315 O ARG A 23 8.495 1.767 3.780 1.00 1.63 O ATOM 316 CB ARG A 23 8.608 0.676 6.778 1.00 1.36 C ATOM 317 CG ARG A 23 8.945 1.160 8.178 1.00 1.52 C ATOM 318 CD ARG A 23 10.135 0.375 8.727 1.00 2.46 C ATOM 319 NE ARG A 23 10.445 0.788 10.104 1.00 2.89 N ATOM 320 CZ ARG A 23 11.491 0.346 10.820 1.00 3.90 C ATOM 321 NH1 ARG A 23 12.325 -0.555 10.290 1.00 4.99 N ATOM 322 NH2 ARG A 23 11.697 0.807 12.059 1.00 4.50 N ATOM 0 H ARG A 23 6.275 1.079 7.471 1.00 0.78 H new ATOM 0 HA ARG A 23 8.111 2.671 6.095 1.00 1.16 H new ATOM 0 HB2 ARG A 23 8.116 -0.295 6.837 1.00 1.36 H new ATOM 0 HB3 ARG A 23 9.528 0.533 6.211 1.00 1.36 H new ATOM 0 HG2 ARG A 23 9.179 2.224 8.158 1.00 1.52 H new ATOM 0 HG3 ARG A 23 8.083 1.035 8.833 1.00 1.52 H new ATOM 0 HD2 ARG A 23 9.914 -0.692 8.704 1.00 2.46 H new ATOM 0 HD3 ARG A 23 11.006 0.534 8.091 1.00 2.46 H new ATOM 0 HE ARG A 23 9.819 1.460 10.548 1.00 2.89 H new ATOM 0 HH11 ARG A 23 12.165 -0.904 9.345 1.00 4.99 H new ATOM 0 HH12 ARG A 23 13.121 -0.893 10.831 1.00 4.99 H new ATOM 0 HH21 ARG A 23 11.059 1.495 12.460 1.00 4.50 H new ATOM 0 HH22 ARG A 23 12.492 0.471 12.603 1.00 4.50 H new ATOM 336 N ASN A 24 6.724 0.443 4.127 1.00 1.48 N ATOM 337 CA ASN A 24 6.722 -0.253 2.858 1.00 1.81 C ATOM 338 C ASN A 24 6.581 0.747 1.732 1.00 1.66 C ATOM 339 O ASN A 24 7.463 0.882 0.885 1.00 1.81 O ATOM 340 CB ASN A 24 5.709 -1.429 2.870 1.00 2.12 C ATOM 341 CG ASN A 24 4.312 -1.338 2.212 1.00 3.10 C ATOM 342 OD1 ASN A 24 3.978 -2.220 1.429 1.00 4.37 O ATOM 343 ND2 ASN A 24 3.422 -0.381 2.516 1.00 3.26 N ATOM 0 H ASN A 24 5.914 0.208 4.701 1.00 1.48 H new ATOM 0 HA ASN A 24 7.677 -0.746 2.678 1.00 1.81 H new ATOM 0 HB2 ASN A 24 6.214 -2.278 2.410 1.00 2.12 H new ATOM 0 HB3 ASN A 24 5.543 -1.685 3.916 1.00 2.12 H new ATOM 0 HD21 ASN A 24 2.492 -0.398 2.098 1.00 3.26 H new ATOM 0 HD22 ASN A 24 3.676 0.364 3.165 1.00 3.26 H new ATOM 350 N LEU A 25 5.493 1.509 1.756 1.00 1.41 N ATOM 351 CA LEU A 25 5.257 2.517 0.741 1.00 1.15 C ATOM 352 C LEU A 25 6.189 3.708 0.964 1.00 0.99 C ATOM 353 O LEU A 25 6.552 4.419 0.026 1.00 1.10 O ATOM 354 CB LEU A 25 3.742 2.736 0.669 1.00 1.19 C ATOM 355 CG LEU A 25 3.231 1.855 -0.487 1.00 1.72 C ATOM 356 CD1 LEU A 25 3.424 0.341 -0.289 1.00 1.50 C ATOM 357 CD2 LEU A 25 1.737 2.019 -0.639 1.00 3.14 C ATOM 0 H LEU A 25 4.765 1.445 2.467 1.00 1.41 H new ATOM 0 HA LEU A 25 5.532 2.229 -0.274 1.00 1.15 H new ATOM 0 HB2 LEU A 25 3.264 2.459 1.609 1.00 1.19 H new ATOM 0 HB3 LEU A 25 3.509 3.786 0.490 1.00 1.19 H new ATOM 0 HG LEU A 25 3.816 2.189 -1.344 1.00 1.72 H new ATOM 0 HD11 LEU A 25 3.033 -0.192 -1.156 1.00 1.50 H new ATOM 0 HD12 LEU A 25 4.486 0.121 -0.177 1.00 1.50 H new ATOM 0 HD13 LEU A 25 2.890 0.020 0.606 1.00 1.50 H new ATOM 0 HD21 LEU A 25 1.384 1.393 -1.458 1.00 3.14 H new ATOM 0 HD22 LEU A 25 1.242 1.720 0.285 1.00 3.14 H new ATOM 0 HD23 LEU A 25 1.505 3.062 -0.854 1.00 3.14 H new ATOM 369 N ARG A 26 6.711 3.823 2.188 1.00 1.13 N ATOM 370 CA ARG A 26 7.834 4.670 2.528 1.00 1.66 C ATOM 371 C ARG A 26 9.181 4.280 1.937 1.00 2.54 C ATOM 372 O ARG A 26 10.208 4.870 2.264 1.00 3.43 O ATOM 373 CB ARG A 26 7.824 5.196 3.946 1.00 1.56 C ATOM 374 CG ARG A 26 6.595 6.109 4.028 1.00 2.01 C ATOM 375 CD ARG A 26 6.525 6.649 5.446 1.00 2.93 C ATOM 376 NE ARG A 26 7.616 7.594 5.674 1.00 3.52 N ATOM 377 CZ ARG A 26 7.843 8.131 6.876 1.00 4.48 C ATOM 378 NH1 ARG A 26 7.097 7.763 7.932 1.00 4.93 N ATOM 379 NH2 ARG A 26 8.817 9.038 6.990 1.00 5.51 N ATOM 0 H ARG A 26 6.344 3.308 2.989 1.00 1.13 H new ATOM 0 HA ARG A 26 7.646 5.576 1.952 1.00 1.66 H new ATOM 0 HB2 ARG A 26 7.758 4.382 4.668 1.00 1.56 H new ATOM 0 HB3 ARG A 26 8.738 5.746 4.168 1.00 1.56 H new ATOM 0 HG2 ARG A 26 6.674 6.925 3.310 1.00 2.01 H new ATOM 0 HG3 ARG A 26 5.689 5.556 3.783 1.00 2.01 H new ATOM 0 HD2 ARG A 26 5.566 7.141 5.610 1.00 2.93 H new ATOM 0 HD3 ARG A 26 6.588 5.828 6.160 1.00 2.93 H new ATOM 0 HE ARG A 26 8.221 7.851 4.894 1.00 3.52 H new ATOM 0 HH11 ARG A 26 6.356 7.072 7.817 1.00 4.93 H new ATOM 0 HH12 ARG A 26 7.272 8.175 8.849 1.00 4.93 H new ATOM 0 HH21 ARG A 26 9.365 9.304 6.172 1.00 5.51 H new ATOM 0 HH22 ARG A 26 9.013 9.465 7.895 1.00 5.51 H new ATOM 393 N ARG A 27 9.234 3.239 1.111 1.00 2.78 N ATOM 394 CA ARG A 27 10.199 3.321 0.024 1.00 3.23 C ATOM 395 C ARG A 27 10.315 4.734 -0.608 1.00 2.38 C ATOM 396 O ARG A 27 11.408 5.109 -1.041 1.00 3.05 O ATOM 397 CB ARG A 27 9.895 2.243 -1.021 1.00 4.12 C ATOM 398 CG ARG A 27 10.384 0.863 -0.557 1.00 4.70 C ATOM 399 CD ARG A 27 11.815 0.506 -1.013 1.00 5.28 C ATOM 400 NE ARG A 27 12.863 1.302 -0.348 1.00 5.26 N ATOM 401 CZ ARG A 27 13.268 2.537 -0.695 1.00 5.73 C ATOM 402 NH1 ARG A 27 12.922 3.085 -1.857 1.00 5.93 N ATOM 403 NH2 ARG A 27 13.977 3.269 0.173 1.00 6.72 N ATOM 0 H ARG A 27 8.668 2.392 1.163 1.00 2.78 H new ATOM 0 HA ARG A 27 11.183 3.133 0.453 1.00 3.23 H new ATOM 0 HB2 ARG A 27 8.822 2.207 -1.208 1.00 4.12 H new ATOM 0 HB3 ARG A 27 10.374 2.503 -1.965 1.00 4.12 H new ATOM 0 HG2 ARG A 27 10.342 0.824 0.531 1.00 4.70 H new ATOM 0 HG3 ARG A 27 9.697 0.103 -0.930 1.00 4.70 H new ATOM 0 HD2 ARG A 27 11.996 -0.551 -0.819 1.00 5.28 H new ATOM 0 HD3 ARG A 27 11.890 0.650 -2.091 1.00 5.28 H new ATOM 0 HE ARG A 27 13.326 0.874 0.454 1.00 5.26 H new ATOM 0 HH11 ARG A 27 12.335 2.567 -2.511 1.00 5.93 H new ATOM 0 HH12 ARG A 27 13.244 4.023 -2.094 1.00 5.93 H new ATOM 0 HH21 ARG A 27 14.207 2.890 1.091 1.00 6.72 H new ATOM 0 HH22 ARG A 27 14.287 4.206 -0.084 1.00 6.72 H new ATOM 417 N GLU A 28 9.217 5.503 -0.653 1.00 1.54 N ATOM 418 CA GLU A 28 9.150 6.897 -1.101 1.00 2.29 C ATOM 419 C GLU A 28 9.508 7.022 -2.582 1.00 1.75 C ATOM 420 O GLU A 28 10.240 7.910 -3.014 1.00 3.16 O ATOM 421 CB GLU A 28 9.871 7.918 -0.176 1.00 4.25 C ATOM 422 CG GLU A 28 9.774 7.623 1.339 1.00 5.23 C ATOM 423 CD GLU A 28 9.395 8.763 2.292 1.00 7.06 C ATOM 424 OE1 GLU A 28 9.509 9.933 1.871 1.00 7.91 O ATOM 425 OE2 GLU A 28 9.001 8.446 3.446 1.00 7.83 O ATOM 0 H GLU A 28 8.306 5.148 -0.362 1.00 1.54 H new ATOM 0 HA GLU A 28 8.106 7.196 -1.005 1.00 2.29 H new ATOM 0 HB2 GLU A 28 10.924 7.955 -0.455 1.00 4.25 H new ATOM 0 HB3 GLU A 28 9.456 8.908 -0.363 1.00 4.25 H new ATOM 0 HG2 GLU A 28 9.044 6.824 1.473 1.00 5.23 H new ATOM 0 HG3 GLU A 28 10.739 7.231 1.661 1.00 5.23 H new ATOM 432 N GLU A 29 8.921 6.116 -3.361 1.00 1.48 N ATOM 433 CA GLU A 29 9.151 5.920 -4.779 1.00 1.92 C ATOM 434 C GLU A 29 7.959 6.474 -5.555 1.00 1.48 C ATOM 435 O GLU A 29 7.060 5.736 -5.950 1.00 1.93 O ATOM 436 CB GLU A 29 9.321 4.417 -4.984 1.00 3.17 C ATOM 437 CG GLU A 29 10.736 3.981 -4.591 1.00 3.85 C ATOM 438 CD GLU A 29 10.922 2.473 -4.667 1.00 4.90 C ATOM 439 OE1 GLU A 29 10.086 1.812 -5.315 1.00 6.00 O ATOM 440 OE2 GLU A 29 11.893 2.009 -4.030 1.00 5.25 O ATOM 0 H GLU A 29 8.231 5.462 -2.990 1.00 1.48 H new ATOM 0 HA GLU A 29 10.038 6.441 -5.138 1.00 1.92 H new ATOM 0 HB2 GLU A 29 8.588 3.877 -4.385 1.00 3.17 H new ATOM 0 HB3 GLU A 29 9.131 4.162 -6.027 1.00 3.17 H new ATOM 0 HG2 GLU A 29 11.458 4.467 -5.247 1.00 3.85 H new ATOM 0 HG3 GLU A 29 10.949 4.320 -3.577 1.00 3.85 H new ATOM 447 N GLY A 30 7.928 7.795 -5.735 1.00 1.14 N ATOM 448 CA GLY A 30 6.807 8.473 -6.375 1.00 1.00 C ATOM 449 C GLY A 30 5.520 8.339 -5.555 1.00 0.93 C ATOM 450 O GLY A 30 4.410 8.393 -6.082 1.00 1.08 O ATOM 0 H GLY A 30 8.678 8.421 -5.441 1.00 1.14 H new ATOM 0 HA2 GLY A 30 7.047 9.528 -6.506 1.00 1.00 H new ATOM 0 HA3 GLY A 30 6.650 8.056 -7.370 1.00 1.00 H new ATOM 454 N ILE A 31 5.672 8.164 -4.245 1.00 0.88 N ATOM 455 CA ILE A 31 4.608 8.081 -3.263 1.00 0.86 C ATOM 456 C ILE A 31 4.377 9.472 -2.685 1.00 0.92 C ATOM 457 O ILE A 31 5.276 10.311 -2.736 1.00 1.37 O ATOM 458 CB ILE A 31 5.101 7.099 -2.198 1.00 0.97 C ATOM 459 CG1 ILE A 31 5.078 5.690 -2.800 1.00 1.24 C ATOM 460 CG2 ILE A 31 4.348 7.170 -0.870 1.00 1.26 C ATOM 461 CD1 ILE A 31 3.777 4.940 -2.532 1.00 2.05 C ATOM 0 H ILE A 31 6.596 8.072 -3.822 1.00 0.88 H new ATOM 0 HA ILE A 31 3.661 7.737 -3.680 1.00 0.86 H new ATOM 0 HB ILE A 31 6.118 7.383 -1.928 1.00 0.97 H new ATOM 0 HG12 ILE A 31 5.234 5.760 -3.877 1.00 1.24 H new ATOM 0 HG13 ILE A 31 5.911 5.115 -2.394 1.00 1.24 H new ATOM 0 HG21 ILE A 31 4.765 6.440 -0.176 1.00 1.26 H new ATOM 0 HG22 ILE A 31 4.448 8.170 -0.448 1.00 1.26 H new ATOM 0 HG23 ILE A 31 3.293 6.951 -1.038 1.00 1.26 H new ATOM 0 HD11 ILE A 31 3.828 3.950 -2.985 1.00 2.05 H new ATOM 0 HD12 ILE A 31 3.630 4.839 -1.457 1.00 2.05 H new ATOM 0 HD13 ILE A 31 2.943 5.494 -2.962 1.00 2.05 H new ATOM 473 N TYR A 32 3.192 9.730 -2.118 1.00 0.67 N ATOM 474 CA TYR A 32 2.995 10.973 -1.381 1.00 0.94 C ATOM 475 C TYR A 32 1.898 10.831 -0.328 1.00 0.84 C ATOM 476 O TYR A 32 1.121 11.751 -0.084 1.00 1.00 O ATOM 477 CB TYR A 32 2.566 11.993 -2.438 1.00 1.33 C ATOM 478 CG TYR A 32 2.808 13.452 -2.128 1.00 1.70 C ATOM 479 CD1 TYR A 32 4.084 13.997 -2.364 1.00 2.07 C ATOM 480 CD2 TYR A 32 1.712 14.309 -1.919 1.00 3.49 C ATOM 481 CE1 TYR A 32 4.252 15.389 -2.444 1.00 3.24 C ATOM 482 CE2 TYR A 32 1.873 15.699 -2.035 1.00 4.88 C ATOM 483 CZ TYR A 32 3.144 16.241 -2.287 1.00 4.57 C ATOM 484 OH TYR A 32 3.286 17.588 -2.435 1.00 6.03 O ATOM 0 H TYR A 32 2.381 9.113 -2.155 1.00 0.67 H new ATOM 0 HA TYR A 32 3.901 11.265 -0.850 1.00 0.94 H new ATOM 0 HB2 TYR A 32 3.084 11.755 -3.367 1.00 1.33 H new ATOM 0 HB3 TYR A 32 1.500 11.859 -2.624 1.00 1.33 H new ATOM 0 HD1 TYR A 32 4.935 13.344 -2.484 1.00 2.07 H new ATOM 0 HD2 TYR A 32 0.745 13.897 -1.669 1.00 3.49 H new ATOM 0 HE1 TYR A 32 5.232 15.805 -2.626 1.00 3.24 H new ATOM 0 HE2 TYR A 32 1.019 16.352 -1.930 1.00 4.88 H new ATOM 0 HH TYR A 32 2.421 18.026 -2.294 1.00 6.03 H new ATOM 494 N SER A 33 1.901 9.698 0.364 1.00 0.80 N ATOM 495 CA SER A 33 1.619 9.492 1.779 1.00 1.12 C ATOM 496 C SER A 33 1.987 8.027 2.057 1.00 1.24 C ATOM 497 O SER A 33 2.334 7.318 1.116 1.00 1.56 O ATOM 498 CB SER A 33 0.177 9.876 2.141 1.00 1.25 C ATOM 499 OG SER A 33 -0.070 9.656 3.515 1.00 1.83 O ATOM 0 H SER A 33 2.122 8.815 -0.097 1.00 0.80 H new ATOM 0 HA SER A 33 2.207 10.146 2.423 1.00 1.12 H new ATOM 0 HB2 SER A 33 0.003 10.924 1.899 1.00 1.25 H new ATOM 0 HB3 SER A 33 -0.521 9.291 1.543 1.00 1.25 H new ATOM 0 HG SER A 33 -0.993 9.908 3.726 1.00 1.83 H new ATOM 505 N ILE A 34 1.829 7.520 3.278 1.00 1.18 N ATOM 506 CA ILE A 34 1.517 6.104 3.445 1.00 1.04 C ATOM 507 C ILE A 34 0.401 6.016 4.467 1.00 1.89 C ATOM 508 O ILE A 34 0.324 6.824 5.392 1.00 2.61 O ATOM 509 CB ILE A 34 2.718 5.249 3.831 1.00 1.09 C ATOM 510 CG1 ILE A 34 2.348 3.780 4.118 1.00 2.23 C ATOM 511 CG2 ILE A 34 3.353 5.868 5.075 1.00 1.23 C ATOM 512 CD1 ILE A 34 1.459 3.020 3.124 1.00 3.66 C ATOM 0 H ILE A 34 1.909 8.052 4.144 1.00 1.18 H new ATOM 0 HA ILE A 34 1.204 5.690 2.486 1.00 1.04 H new ATOM 0 HB ILE A 34 3.409 5.234 2.988 1.00 1.09 H new ATOM 0 HG12 ILE A 34 3.279 3.222 4.218 1.00 2.23 H new ATOM 0 HG13 ILE A 34 1.853 3.751 5.089 1.00 2.23 H new ATOM 0 HG21 ILE A 34 4.217 5.276 5.375 1.00 1.23 H new ATOM 0 HG22 ILE A 34 3.671 6.887 4.853 1.00 1.23 H new ATOM 0 HG23 ILE A 34 2.625 5.884 5.886 1.00 1.23 H new ATOM 0 HD11 ILE A 34 1.300 2.003 3.482 1.00 3.66 H new ATOM 0 HD12 ILE A 34 0.498 3.527 3.034 1.00 3.66 H new ATOM 0 HD13 ILE A 34 1.946 2.990 2.149 1.00 3.66 H new ATOM 524 N LEU A 35 -0.515 5.095 4.202 1.00 2.08 N ATOM 525 CA LEU A 35 -1.857 5.121 4.737 1.00 2.96 C ATOM 526 C LEU A 35 -2.361 3.710 4.909 1.00 2.03 C ATOM 527 O LEU A 35 -2.106 2.821 4.100 1.00 2.00 O ATOM 528 CB LEU A 35 -2.813 5.824 3.783 1.00 4.30 C ATOM 529 CG LEU A 35 -2.191 7.015 3.102 1.00 5.70 C ATOM 530 CD1 LEU A 35 -1.332 6.554 1.903 1.00 6.11 C ATOM 531 CD2 LEU A 35 -3.259 8.000 2.637 1.00 6.90 C ATOM 0 H LEU A 35 -0.336 4.295 3.596 1.00 2.08 H new ATOM 0 HA LEU A 35 -1.821 5.651 5.689 1.00 2.96 H new ATOM 0 HB2 LEU A 35 -3.151 5.115 3.027 1.00 4.30 H new ATOM 0 HB3 LEU A 35 -3.696 6.147 4.334 1.00 4.30 H new ATOM 0 HG LEU A 35 -1.552 7.524 3.823 1.00 5.70 H new ATOM 0 HD11 LEU A 35 -0.887 7.423 1.418 1.00 6.11 H new ATOM 0 HD12 LEU A 35 -0.542 5.891 2.255 1.00 6.11 H new ATOM 0 HD13 LEU A 35 -1.960 6.022 1.189 1.00 6.11 H new ATOM 0 HD21 LEU A 35 -2.782 8.850 2.149 1.00 6.90 H new ATOM 0 HD22 LEU A 35 -3.928 7.506 1.933 1.00 6.90 H new ATOM 0 HD23 LEU A 35 -3.831 8.349 3.497 1.00 6.90 H new ATOM 543 N VAL A 36 -3.124 3.532 5.969 1.00 1.64 N ATOM 544 CA VAL A 36 -3.431 2.234 6.504 1.00 0.99 C ATOM 545 C VAL A 36 -4.754 2.314 7.258 1.00 1.14 C ATOM 546 O VAL A 36 -4.850 2.348 8.482 1.00 2.30 O ATOM 547 CB VAL A 36 -2.188 1.678 7.230 1.00 0.77 C ATOM 548 CG1 VAL A 36 -2.466 0.962 8.537 1.00 1.00 C ATOM 549 CG2 VAL A 36 -1.513 0.639 6.328 1.00 0.86 C ATOM 0 H VAL A 36 -3.551 4.301 6.486 1.00 1.64 H new ATOM 0 HA VAL A 36 -3.624 1.474 5.747 1.00 0.99 H new ATOM 0 HB VAL A 36 -1.579 2.555 7.449 1.00 0.77 H new ATOM 0 HG11 VAL A 36 -1.528 0.610 8.966 1.00 1.00 H new ATOM 0 HG12 VAL A 36 -2.948 1.649 9.233 1.00 1.00 H new ATOM 0 HG13 VAL A 36 -3.122 0.111 8.353 1.00 1.00 H new ATOM 0 HG21 VAL A 36 -0.632 0.238 6.830 1.00 0.86 H new ATOM 0 HG22 VAL A 36 -2.212 -0.171 6.120 1.00 0.86 H new ATOM 0 HG23 VAL A 36 -1.214 1.110 5.392 1.00 0.86 H new ATOM 559 N ALA A 37 -5.816 2.256 6.470 1.00 0.87 N ATOM 560 CA ALA A 37 -7.165 2.085 6.986 1.00 0.84 C ATOM 561 C ALA A 37 -7.383 0.613 7.378 1.00 0.80 C ATOM 562 O ALA A 37 -8.294 -0.058 6.882 1.00 0.86 O ATOM 563 CB ALA A 37 -8.174 2.555 5.933 1.00 0.83 C ATOM 0 H ALA A 37 -5.767 2.326 5.454 1.00 0.87 H new ATOM 0 HA ALA A 37 -7.310 2.690 7.881 1.00 0.84 H new ATOM 0 HB1 ALA A 37 -9.186 2.428 6.317 1.00 0.83 H new ATOM 0 HB2 ALA A 37 -8.001 3.607 5.707 1.00 0.83 H new ATOM 0 HB3 ALA A 37 -8.054 1.965 5.025 1.00 0.83 H new ATOM 569 N LEU A 38 -6.580 0.131 8.342 1.00 0.86 N ATOM 570 CA LEU A 38 -6.786 -1.159 9.006 1.00 0.92 C ATOM 571 C LEU A 38 -8.235 -1.307 9.413 1.00 1.29 C ATOM 572 O LEU A 38 -8.822 -2.370 9.248 1.00 1.68 O ATOM 573 CB LEU A 38 -5.948 -1.359 10.288 1.00 1.24 C ATOM 574 CG LEU A 38 -5.722 -0.109 11.162 1.00 2.64 C ATOM 575 CD1 LEU A 38 -6.409 -0.229 12.529 1.00 3.67 C ATOM 576 CD2 LEU A 38 -4.218 0.040 11.358 1.00 3.37 C ATOM 0 H LEU A 38 -5.761 0.635 8.683 1.00 0.86 H new ATOM 0 HA LEU A 38 -6.473 -1.901 8.272 1.00 0.92 H new ATOM 0 HB2 LEU A 38 -6.435 -2.119 10.899 1.00 1.24 H new ATOM 0 HB3 LEU A 38 -4.974 -1.756 10.001 1.00 1.24 H new ATOM 0 HG LEU A 38 -6.153 0.760 10.665 1.00 2.64 H new ATOM 0 HD11 LEU A 38 -6.223 0.674 13.110 1.00 3.67 H new ATOM 0 HD12 LEU A 38 -7.482 -0.354 12.387 1.00 3.67 H new ATOM 0 HD13 LEU A 38 -6.010 -1.092 13.062 1.00 3.67 H new ATOM 0 HD21 LEU A 38 -4.016 0.917 11.974 1.00 3.37 H new ATOM 0 HD22 LEU A 38 -3.826 -0.849 11.852 1.00 3.37 H new ATOM 0 HD23 LEU A 38 -3.735 0.159 10.388 1.00 3.37 H new ATOM 588 N MET A 39 -8.792 -0.243 9.990 1.00 1.30 N ATOM 589 CA MET A 39 -10.083 -0.353 10.621 1.00 1.50 C ATOM 590 C MET A 39 -11.154 -0.703 9.577 1.00 1.50 C ATOM 591 O MET A 39 -12.080 -1.456 9.863 1.00 1.85 O ATOM 592 CB MET A 39 -10.397 0.949 11.371 1.00 1.62 C ATOM 593 CG MET A 39 -11.667 0.829 12.220 1.00 3.02 C ATOM 594 SD MET A 39 -12.050 2.308 13.193 1.00 3.29 S ATOM 595 CE MET A 39 -13.560 1.760 14.017 1.00 5.32 C ATOM 0 H MET A 39 -8.370 0.685 10.028 1.00 1.30 H new ATOM 0 HA MET A 39 -10.076 -1.162 11.351 1.00 1.50 H new ATOM 0 HB2 MET A 39 -9.555 1.210 12.012 1.00 1.62 H new ATOM 0 HB3 MET A 39 -10.515 1.761 10.654 1.00 1.62 H new ATOM 0 HG2 MET A 39 -12.510 0.610 11.564 1.00 3.02 H new ATOM 0 HG3 MET A 39 -11.560 -0.020 12.896 1.00 3.02 H new ATOM 0 HE1 MET A 39 -13.933 2.557 14.661 1.00 5.32 H new ATOM 0 HE2 MET A 39 -14.314 1.515 13.269 1.00 5.32 H new ATOM 0 HE3 MET A 39 -13.346 0.877 14.619 1.00 5.32 H new ATOM 605 N ALA A 40 -11.017 -0.152 8.363 1.00 1.36 N ATOM 606 CA ALA A 40 -11.856 -0.505 7.225 1.00 1.46 C ATOM 607 C ALA A 40 -11.453 -1.875 6.673 1.00 1.47 C ATOM 608 O ALA A 40 -12.304 -2.632 6.213 1.00 1.84 O ATOM 609 CB ALA A 40 -11.737 0.572 6.143 1.00 1.38 C ATOM 0 H ALA A 40 -10.314 0.555 8.149 1.00 1.36 H new ATOM 0 HA ALA A 40 -12.895 -0.563 7.549 1.00 1.46 H new ATOM 0 HB1 ALA A 40 -12.365 0.305 5.293 1.00 1.38 H new ATOM 0 HB2 ALA A 40 -12.061 1.531 6.547 1.00 1.38 H new ATOM 0 HB3 ALA A 40 -10.700 0.647 5.817 1.00 1.38 H new ATOM 615 N GLY A 41 -10.152 -2.171 6.698 1.00 1.20 N ATOM 616 CA GLY A 41 -9.585 -3.464 6.349 1.00 1.17 C ATOM 617 C GLY A 41 -8.818 -3.387 5.039 1.00 0.91 C ATOM 618 O GLY A 41 -8.917 -4.295 4.216 1.00 0.95 O ATOM 0 H GLY A 41 -9.444 -1.490 6.972 1.00 1.20 H new ATOM 0 HA2 GLY A 41 -8.920 -3.800 7.145 1.00 1.17 H new ATOM 0 HA3 GLY A 41 -10.381 -4.204 6.265 1.00 1.17 H new ATOM 622 N LYS A 42 -8.079 -2.296 4.812 1.00 0.77 N ATOM 623 CA LYS A 42 -7.374 -2.100 3.560 1.00 0.79 C ATOM 624 C LYS A 42 -6.249 -1.098 3.792 1.00 0.55 C ATOM 625 O LYS A 42 -6.317 -0.298 4.724 1.00 0.74 O ATOM 626 CB LYS A 42 -8.366 -1.683 2.457 1.00 1.40 C ATOM 627 CG LYS A 42 -9.423 -0.667 2.911 1.00 1.45 C ATOM 628 CD LYS A 42 -10.345 -0.312 1.735 1.00 1.90 C ATOM 629 CE LYS A 42 -11.417 0.711 2.148 1.00 2.64 C ATOM 630 NZ LYS A 42 -12.057 1.368 0.983 1.00 3.76 N ATOM 0 H LYS A 42 -7.959 -1.539 5.486 1.00 0.77 H new ATOM 0 HA LYS A 42 -6.917 -3.025 3.210 1.00 0.79 H new ATOM 0 HB2 LYS A 42 -7.807 -1.260 1.622 1.00 1.40 H new ATOM 0 HB3 LYS A 42 -8.871 -2.573 2.083 1.00 1.40 H new ATOM 0 HG2 LYS A 42 -10.009 -1.081 3.732 1.00 1.45 H new ATOM 0 HG3 LYS A 42 -8.937 0.233 3.288 1.00 1.45 H new ATOM 0 HD2 LYS A 42 -9.751 0.092 0.915 1.00 1.90 H new ATOM 0 HD3 LYS A 42 -10.827 -1.216 1.364 1.00 1.90 H new ATOM 0 HE2 LYS A 42 -12.181 0.211 2.743 1.00 2.64 H new ATOM 0 HE3 LYS A 42 -10.963 1.470 2.785 1.00 2.64 H new ATOM 0 HZ1 LYS A 42 -12.870 1.930 1.305 1.00 3.76 H new ATOM 0 HZ2 LYS A 42 -11.369 1.991 0.515 1.00 3.76 H new ATOM 0 HZ3 LYS A 42 -12.381 0.644 0.311 1.00 3.76 H new ATOM 644 N ALA A 43 -5.225 -1.131 2.942 1.00 1.12 N ATOM 645 CA ALA A 43 -4.236 -0.076 2.894 1.00 0.90 C ATOM 646 C ALA A 43 -4.809 1.042 2.035 1.00 0.84 C ATOM 647 O ALA A 43 -5.568 0.797 1.093 1.00 0.87 O ATOM 648 CB ALA A 43 -2.917 -0.587 2.318 1.00 1.13 C ATOM 0 H ALA A 43 -5.065 -1.886 2.276 1.00 1.12 H new ATOM 0 HA ALA A 43 -4.019 0.288 3.898 1.00 0.90 H new ATOM 0 HB1 ALA A 43 -2.192 0.226 2.293 1.00 1.13 H new ATOM 0 HB2 ALA A 43 -2.536 -1.395 2.943 1.00 1.13 H new ATOM 0 HB3 ALA A 43 -3.081 -0.958 1.306 1.00 1.13 H new ATOM 654 N GLU A 44 -4.435 2.270 2.374 1.00 0.89 N ATOM 655 CA GLU A 44 -4.723 3.434 1.566 1.00 0.96 C ATOM 656 C GLU A 44 -3.411 3.792 0.860 1.00 1.04 C ATOM 657 O GLU A 44 -2.341 3.463 1.369 1.00 2.08 O ATOM 658 CB GLU A 44 -5.314 4.530 2.463 1.00 1.44 C ATOM 659 CG GLU A 44 -6.831 4.430 2.577 1.00 1.26 C ATOM 660 CD GLU A 44 -7.403 5.420 3.588 1.00 1.77 C ATOM 661 OE1 GLU A 44 -6.677 5.730 4.558 1.00 2.97 O ATOM 662 OE2 GLU A 44 -8.566 5.830 3.381 1.00 2.34 O ATOM 0 H GLU A 44 -3.918 2.481 3.228 1.00 0.89 H new ATOM 0 HA GLU A 44 -5.478 3.273 0.797 1.00 0.96 H new ATOM 0 HB2 GLU A 44 -4.872 4.460 3.457 1.00 1.44 H new ATOM 0 HB3 GLU A 44 -5.046 5.508 2.063 1.00 1.44 H new ATOM 0 HG2 GLU A 44 -7.279 4.612 1.600 1.00 1.26 H new ATOM 0 HG3 GLU A 44 -7.105 3.416 2.870 1.00 1.26 H new ATOM 669 N VAL A 45 -3.455 4.435 -0.308 1.00 0.63 N ATOM 670 CA VAL A 45 -2.260 4.962 -0.951 1.00 0.57 C ATOM 671 C VAL A 45 -2.555 6.345 -1.519 1.00 0.54 C ATOM 672 O VAL A 45 -3.683 6.625 -1.932 1.00 0.83 O ATOM 673 CB VAL A 45 -1.693 4.008 -2.005 1.00 0.65 C ATOM 674 CG1 VAL A 45 -1.253 2.694 -1.367 1.00 2.35 C ATOM 675 CG2 VAL A 45 -2.681 3.720 -3.122 1.00 2.73 C ATOM 0 H VAL A 45 -4.316 4.602 -0.828 1.00 0.63 H new ATOM 0 HA VAL A 45 -1.478 5.057 -0.198 1.00 0.57 H new ATOM 0 HB VAL A 45 -0.831 4.511 -2.442 1.00 0.65 H new ATOM 0 HG11 VAL A 45 -0.854 2.032 -2.135 1.00 2.35 H new ATOM 0 HG12 VAL A 45 -0.482 2.891 -0.622 1.00 2.35 H new ATOM 0 HG13 VAL A 45 -2.108 2.218 -0.887 1.00 2.35 H new ATOM 0 HG21 VAL A 45 -2.228 3.038 -3.842 1.00 2.73 H new ATOM 0 HG22 VAL A 45 -3.579 3.263 -2.705 1.00 2.73 H new ATOM 0 HG23 VAL A 45 -2.947 4.651 -3.622 1.00 2.73 H new ATOM 685 N ARG A 46 -1.527 7.200 -1.536 1.00 0.51 N ATOM 686 CA ARG A 46 -1.503 8.427 -2.304 1.00 0.49 C ATOM 687 C ARG A 46 -0.152 8.464 -3.005 1.00 0.47 C ATOM 688 O ARG A 46 0.866 8.203 -2.365 1.00 0.55 O ATOM 689 CB ARG A 46 -1.720 9.655 -1.416 1.00 0.54 C ATOM 690 CG ARG A 46 -1.778 10.918 -2.289 1.00 0.92 C ATOM 691 CD ARG A 46 -2.273 12.144 -1.516 1.00 1.14 C ATOM 692 NE ARG A 46 -3.657 11.969 -1.046 1.00 2.19 N ATOM 693 CZ ARG A 46 -4.764 12.038 -1.807 1.00 3.60 C ATOM 694 NH1 ARG A 46 -4.688 12.332 -3.110 1.00 4.73 N ATOM 695 NH2 ARG A 46 -5.959 11.812 -1.248 1.00 4.84 N ATOM 0 H ARG A 46 -0.673 7.045 -1.000 1.00 0.51 H new ATOM 0 HA ARG A 46 -2.316 8.451 -3.029 1.00 0.49 H new ATOM 0 HB2 ARG A 46 -2.646 9.549 -0.851 1.00 0.54 H new ATOM 0 HB3 ARG A 46 -0.911 9.739 -0.690 1.00 0.54 H new ATOM 0 HG2 ARG A 46 -0.786 11.123 -2.692 1.00 0.92 H new ATOM 0 HG3 ARG A 46 -2.436 10.738 -3.139 1.00 0.92 H new ATOM 0 HD2 ARG A 46 -1.619 12.325 -0.663 1.00 1.14 H new ATOM 0 HD3 ARG A 46 -2.214 13.025 -2.155 1.00 1.14 H new ATOM 0 HE ARG A 46 -3.789 11.778 -0.053 1.00 2.19 H new ATOM 0 HH11 ARG A 46 -3.780 12.508 -3.541 1.00 4.73 H new ATOM 0 HH12 ARG A 46 -5.538 12.380 -3.672 1.00 4.73 H new ATOM 0 HH21 ARG A 46 -6.024 11.590 -0.255 1.00 4.84 H new ATOM 0 HH22 ARG A 46 -6.805 11.862 -1.815 1.00 4.84 H new ATOM 709 N TYR A 47 -0.142 8.723 -4.312 1.00 0.45 N ATOM 710 CA TYR A 47 1.040 8.529 -5.138 1.00 0.48 C ATOM 711 C TYR A 47 0.962 9.410 -6.379 1.00 0.46 C ATOM 712 O TYR A 47 -0.100 9.956 -6.680 1.00 0.44 O ATOM 713 CB TYR A 47 1.133 7.048 -5.521 1.00 0.55 C ATOM 714 CG TYR A 47 -0.090 6.550 -6.271 1.00 0.52 C ATOM 715 CD1 TYR A 47 -0.252 6.856 -7.636 1.00 1.94 C ATOM 716 CD2 TYR A 47 -1.189 6.067 -5.538 1.00 1.78 C ATOM 717 CE1 TYR A 47 -1.531 6.825 -8.215 1.00 2.15 C ATOM 718 CE2 TYR A 47 -2.459 6.009 -6.133 1.00 2.05 C ATOM 719 CZ TYR A 47 -2.640 6.433 -7.457 1.00 1.54 C ATOM 720 OH TYR A 47 -3.880 6.503 -8.017 1.00 2.30 O ATOM 0 H TYR A 47 -0.953 9.072 -4.823 1.00 0.45 H new ATOM 0 HA TYR A 47 1.935 8.813 -4.584 1.00 0.48 H new ATOM 0 HB2 TYR A 47 2.018 6.893 -6.138 1.00 0.55 H new ATOM 0 HB3 TYR A 47 1.266 6.453 -4.618 1.00 0.55 H new ATOM 0 HD1 TYR A 47 0.607 7.114 -8.237 1.00 1.94 H new ATOM 0 HD2 TYR A 47 -1.056 5.741 -4.517 1.00 1.78 H new ATOM 0 HE1 TYR A 47 -1.659 7.105 -9.250 1.00 2.15 H new ATOM 0 HE2 TYR A 47 -3.301 5.636 -5.568 1.00 2.05 H new ATOM 0 HH TYR A 47 -4.551 6.617 -7.312 1.00 2.30 H new ATOM 730 N ASN A 48 2.075 9.538 -7.106 1.00 0.55 N ATOM 731 CA ASN A 48 2.143 10.320 -8.338 1.00 0.70 C ATOM 732 C ASN A 48 2.203 9.401 -9.575 1.00 0.85 C ATOM 733 O ASN A 48 3.242 8.793 -9.842 1.00 0.90 O ATOM 734 CB ASN A 48 3.266 11.369 -8.241 1.00 0.89 C ATOM 735 CG ASN A 48 4.613 10.981 -8.847 1.00 1.49 C ATOM 736 OD1 ASN A 48 5.391 10.259 -8.240 1.00 3.28 O ATOM 737 ND2 ASN A 48 4.932 11.498 -10.032 1.00 1.84 N ATOM 0 H ASN A 48 2.959 9.098 -6.852 1.00 0.55 H new ATOM 0 HA ASN A 48 1.225 10.892 -8.471 1.00 0.70 H new ATOM 0 HB2 ASN A 48 2.923 12.282 -8.727 1.00 0.89 H new ATOM 0 HB3 ASN A 48 3.421 11.607 -7.189 1.00 0.89 H new ATOM 0 HD21 ASN A 48 5.840 11.294 -10.450 1.00 1.84 H new ATOM 0 HD22 ASN A 48 4.268 12.098 -10.522 1.00 1.84 H new ATOM 744 N PRO A 49 1.103 9.244 -10.339 1.00 1.04 N ATOM 745 CA PRO A 49 1.056 8.325 -11.470 1.00 1.21 C ATOM 746 C PRO A 49 1.804 8.882 -12.681 1.00 1.39 C ATOM 747 O PRO A 49 1.212 9.257 -13.689 1.00 1.98 O ATOM 748 CB PRO A 49 -0.422 8.074 -11.759 1.00 1.31 C ATOM 749 CG PRO A 49 -1.092 9.363 -11.279 1.00 1.35 C ATOM 750 CD PRO A 49 -0.213 9.830 -10.116 1.00 1.19 C ATOM 0 HA PRO A 49 1.560 7.387 -11.237 1.00 1.21 H new ATOM 0 HB2 PRO A 49 -0.601 7.897 -12.820 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -0.795 7.202 -11.223 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -1.134 10.110 -12.072 1.00 1.35 H new ATOM 0 HG3 PRO A 49 -2.117 9.183 -10.956 1.00 1.35 H new ATOM 0 HD2 PRO A 49 -0.154 10.918 -10.085 1.00 1.19 H new ATOM 0 HD3 PRO A 49 -0.627 9.506 -9.161 1.00 1.19 H new ATOM 758 N ALA A 50 3.129 8.877 -12.582 1.00 1.07 N ATOM 759 CA ALA A 50 4.036 8.986 -13.708 1.00 1.08 C ATOM 760 C ALA A 50 5.210 8.069 -13.391 1.00 0.98 C ATOM 761 O ALA A 50 5.401 7.042 -14.036 1.00 1.17 O ATOM 762 CB ALA A 50 4.459 10.445 -13.914 1.00 1.22 C ATOM 0 H ALA A 50 3.611 8.794 -11.687 1.00 1.07 H new ATOM 0 HA ALA A 50 3.571 8.683 -14.646 1.00 1.08 H new ATOM 0 HB1 ALA A 50 5.140 10.510 -14.763 1.00 1.22 H new ATOM 0 HB2 ALA A 50 3.577 11.056 -14.108 1.00 1.22 H new ATOM 0 HB3 ALA A 50 4.961 10.808 -13.017 1.00 1.22 H new ATOM 768 N VAL A 51 5.932 8.406 -12.322 1.00 0.97 N ATOM 769 CA VAL A 51 7.025 7.630 -11.785 1.00 0.94 C ATOM 770 C VAL A 51 6.558 6.209 -11.463 1.00 0.90 C ATOM 771 O VAL A 51 7.214 5.238 -11.824 1.00 1.04 O ATOM 772 CB VAL A 51 7.505 8.355 -10.515 1.00 1.00 C ATOM 773 CG1 VAL A 51 8.552 7.538 -9.763 1.00 1.02 C ATOM 774 CG2 VAL A 51 8.108 9.730 -10.833 1.00 1.31 C ATOM 0 H VAL A 51 5.757 9.261 -11.794 1.00 0.97 H new ATOM 0 HA VAL A 51 7.839 7.544 -12.505 1.00 0.94 H new ATOM 0 HB VAL A 51 6.620 8.482 -9.892 1.00 1.00 H new ATOM 0 HG11 VAL A 51 8.867 8.082 -8.872 1.00 1.02 H new ATOM 0 HG12 VAL A 51 8.124 6.579 -9.470 1.00 1.02 H new ATOM 0 HG13 VAL A 51 9.414 7.369 -10.408 1.00 1.02 H new ATOM 0 HG21 VAL A 51 8.434 10.207 -9.909 1.00 1.31 H new ATOM 0 HG22 VAL A 51 8.962 9.607 -11.499 1.00 1.31 H new ATOM 0 HG23 VAL A 51 7.357 10.353 -11.318 1.00 1.31 H new ATOM 784 N ILE A 52 5.470 6.103 -10.696 1.00 0.93 N ATOM 785 CA ILE A 52 5.290 4.942 -9.839 1.00 1.04 C ATOM 786 C ILE A 52 4.677 3.737 -10.543 1.00 0.85 C ATOM 787 O ILE A 52 5.199 2.641 -10.409 1.00 1.45 O ATOM 788 CB ILE A 52 4.491 5.346 -8.596 1.00 1.54 C ATOM 789 CG1 ILE A 52 4.532 4.201 -7.588 1.00 1.80 C ATOM 790 CG2 ILE A 52 3.046 5.757 -8.897 1.00 1.68 C ATOM 791 CD1 ILE A 52 3.973 4.652 -6.240 1.00 3.34 C ATOM 0 H ILE A 52 4.720 6.793 -10.654 1.00 0.93 H new ATOM 0 HA ILE A 52 6.283 4.605 -9.541 1.00 1.04 H new ATOM 0 HB ILE A 52 4.962 6.237 -8.181 1.00 1.54 H new ATOM 0 HG12 ILE A 52 3.953 3.357 -7.964 1.00 1.80 H new ATOM 0 HG13 ILE A 52 5.558 3.854 -7.465 1.00 1.80 H new ATOM 0 HG21 ILE A 52 2.544 6.029 -7.968 1.00 1.68 H new ATOM 0 HG22 ILE A 52 3.044 6.611 -9.574 1.00 1.68 H new ATOM 0 HG23 ILE A 52 2.520 4.924 -9.363 1.00 1.68 H new ATOM 0 HD11 ILE A 52 4.011 3.822 -5.534 1.00 3.34 H new ATOM 0 HD12 ILE A 52 4.569 5.480 -5.858 1.00 3.34 H new ATOM 0 HD13 ILE A 52 2.940 4.976 -6.365 1.00 3.34 H new ATOM 803 N GLN A 53 3.540 3.959 -11.211 1.00 0.79 N ATOM 804 CA GLN A 53 2.591 2.971 -11.727 1.00 0.69 C ATOM 805 C GLN A 53 1.811 2.297 -10.585 1.00 0.70 C ATOM 806 O GLN A 53 2.356 1.454 -9.881 1.00 0.64 O ATOM 807 CB GLN A 53 3.236 1.916 -12.655 1.00 0.84 C ATOM 808 CG GLN A 53 3.352 2.315 -14.127 1.00 0.99 C ATOM 809 CD GLN A 53 4.322 3.468 -14.290 1.00 1.70 C ATOM 810 OE1 GLN A 53 5.477 3.281 -14.651 1.00 2.72 O ATOM 811 NE2 GLN A 53 3.849 4.671 -13.999 1.00 2.23 N ATOM 0 H GLN A 53 3.237 4.910 -11.421 1.00 0.79 H new ATOM 0 HA GLN A 53 1.890 3.530 -12.347 1.00 0.69 H new ATOM 0 HB2 GLN A 53 4.233 1.688 -12.279 1.00 0.84 H new ATOM 0 HB3 GLN A 53 2.654 0.997 -12.591 1.00 0.84 H new ATOM 0 HG2 GLN A 53 3.690 1.462 -14.715 1.00 0.99 H new ATOM 0 HG3 GLN A 53 2.372 2.599 -14.511 1.00 0.99 H new ATOM 0 HE21 GLN A 53 2.879 4.780 -13.702 1.00 2.23 H new ATOM 0 HE22 GLN A 53 4.455 5.488 -14.072 1.00 2.23 H new ATOM 820 N PRO A 54 0.507 2.580 -10.434 1.00 0.91 N ATOM 821 CA PRO A 54 -0.409 1.751 -9.659 1.00 0.92 C ATOM 822 C PRO A 54 -0.317 0.239 -9.938 1.00 0.73 C ATOM 823 O PRO A 54 -0.363 -0.538 -8.986 1.00 0.69 O ATOM 824 CB PRO A 54 -1.807 2.318 -9.913 1.00 1.22 C ATOM 825 CG PRO A 54 -1.495 3.792 -10.156 1.00 1.36 C ATOM 826 CD PRO A 54 -0.206 3.727 -10.972 1.00 1.18 C ATOM 0 HA PRO A 54 -0.138 1.802 -8.605 1.00 0.92 H new ATOM 0 HB2 PRO A 54 -2.289 1.853 -10.773 1.00 1.22 H new ATOM 0 HB3 PRO A 54 -2.470 2.174 -9.060 1.00 1.22 H new ATOM 0 HG2 PRO A 54 -2.296 4.292 -10.701 1.00 1.36 H new ATOM 0 HG3 PRO A 54 -1.357 4.337 -9.222 1.00 1.36 H new ATOM 0 HD2 PRO A 54 -0.415 3.602 -12.035 1.00 1.18 H new ATOM 0 HD3 PRO A 54 0.377 4.642 -10.867 1.00 1.18 H new ATOM 834 N PRO A 55 -0.175 -0.243 -11.188 1.00 0.84 N ATOM 835 CA PRO A 55 0.152 -1.638 -11.387 1.00 0.89 C ATOM 836 C PRO A 55 1.422 -1.985 -10.616 1.00 0.83 C ATOM 837 O PRO A 55 1.429 -2.944 -9.846 1.00 0.93 O ATOM 838 CB PRO A 55 0.326 -1.841 -12.889 1.00 1.13 C ATOM 839 CG PRO A 55 0.253 -0.477 -13.539 1.00 1.16 C ATOM 840 CD PRO A 55 -0.296 0.441 -12.464 1.00 1.06 C ATOM 0 HA PRO A 55 -0.633 -2.296 -11.015 1.00 0.89 H new ATOM 0 HB2 PRO A 55 1.282 -2.318 -13.104 1.00 1.13 H new ATOM 0 HB3 PRO A 55 -0.452 -2.496 -13.281 1.00 1.13 H new ATOM 0 HG2 PRO A 55 1.236 -0.147 -13.876 1.00 1.16 H new ATOM 0 HG3 PRO A 55 -0.396 -0.491 -14.415 1.00 1.16 H new ATOM 0 HD2 PRO A 55 0.256 1.381 -12.447 1.00 1.06 H new ATOM 0 HD3 PRO A 55 -1.338 0.687 -12.668 1.00 1.06 H new ATOM 848 N MET A 56 2.489 -1.192 -10.783 1.00 0.77 N ATOM 849 CA MET A 56 3.714 -1.512 -10.065 1.00 0.79 C ATOM 850 C MET A 56 3.506 -1.505 -8.546 1.00 0.76 C ATOM 851 O MET A 56 3.978 -2.433 -7.901 1.00 0.94 O ATOM 852 CB MET A 56 4.889 -0.650 -10.519 1.00 0.80 C ATOM 853 CG MET A 56 5.336 -1.027 -11.940 1.00 1.06 C ATOM 854 SD MET A 56 6.555 0.063 -12.723 1.00 1.27 S ATOM 855 CE MET A 56 7.868 0.059 -11.486 1.00 2.53 C ATOM 0 H MET A 56 2.526 -0.366 -11.380 1.00 0.77 H new ATOM 0 HA MET A 56 3.983 -2.536 -10.324 1.00 0.79 H new ATOM 0 HB2 MET A 56 4.604 0.402 -10.491 1.00 0.80 H new ATOM 0 HB3 MET A 56 5.723 -0.773 -9.828 1.00 0.80 H new ATOM 0 HG2 MET A 56 5.749 -2.035 -11.911 1.00 1.06 H new ATOM 0 HG3 MET A 56 4.452 -1.063 -12.577 1.00 1.06 H new ATOM 0 HE1 MET A 56 8.726 0.615 -11.864 1.00 2.53 H new ATOM 0 HE2 MET A 56 7.507 0.528 -10.571 1.00 2.53 H new ATOM 0 HE3 MET A 56 8.166 -0.968 -11.275 1.00 2.53 H new ATOM 865 N ILE A 57 2.783 -0.550 -7.939 1.00 0.66 N ATOM 866 CA ILE A 57 2.515 -0.680 -6.505 1.00 0.85 C ATOM 867 C ILE A 57 1.780 -1.987 -6.178 1.00 1.00 C ATOM 868 O ILE A 57 2.184 -2.698 -5.257 1.00 1.28 O ATOM 869 CB ILE A 57 1.861 0.565 -5.876 1.00 1.00 C ATOM 870 CG1 ILE A 57 0.331 0.645 -5.966 1.00 2.25 C ATOM 871 CG2 ILE A 57 2.535 1.834 -6.380 1.00 1.85 C ATOM 872 CD1 ILE A 57 -0.249 2.004 -5.564 1.00 2.39 C ATOM 0 H ILE A 57 2.393 0.277 -8.392 1.00 0.66 H new ATOM 0 HA ILE A 57 3.490 -0.741 -6.021 1.00 0.85 H new ATOM 0 HB ILE A 57 2.035 0.461 -4.805 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.026 0.420 -6.988 1.00 2.25 H new ATOM 0 HG13 ILE A 57 -0.101 -0.125 -5.327 1.00 2.25 H new ATOM 0 HG21 ILE A 57 2.060 2.703 -5.925 1.00 1.85 H new ATOM 0 HG22 ILE A 57 3.591 1.816 -6.112 1.00 1.85 H new ATOM 0 HG23 ILE A 57 2.437 1.892 -7.464 1.00 1.85 H new ATOM 0 HD11 ILE A 57 -1.335 1.978 -5.655 1.00 2.39 H new ATOM 0 HD12 ILE A 57 0.023 2.225 -4.532 1.00 2.39 H new ATOM 0 HD13 ILE A 57 0.151 2.778 -6.218 1.00 2.39 H new ATOM 884 N ALA A 58 0.722 -2.320 -6.931 1.00 0.90 N ATOM 885 CA ALA A 58 -0.042 -3.544 -6.721 1.00 1.11 C ATOM 886 C ALA A 58 0.876 -4.766 -6.683 1.00 1.20 C ATOM 887 O ALA A 58 0.753 -5.616 -5.802 1.00 1.42 O ATOM 888 CB ALA A 58 -1.113 -3.700 -7.804 1.00 1.21 C ATOM 0 H ALA A 58 0.377 -1.745 -7.700 1.00 0.90 H new ATOM 0 HA ALA A 58 -0.539 -3.472 -5.754 1.00 1.11 H new ATOM 0 HB1 ALA A 58 -1.674 -4.619 -7.632 1.00 1.21 H new ATOM 0 HB2 ALA A 58 -1.792 -2.848 -7.769 1.00 1.21 H new ATOM 0 HB3 ALA A 58 -0.636 -3.744 -8.783 1.00 1.21 H new ATOM 894 N GLU A 59 1.796 -4.844 -7.643 1.00 1.08 N ATOM 895 CA GLU A 59 2.798 -5.868 -7.708 1.00 1.12 C ATOM 896 C GLU A 59 3.759 -5.800 -6.520 1.00 1.06 C ATOM 897 O GLU A 59 3.831 -6.748 -5.738 1.00 1.10 O ATOM 898 CB GLU A 59 3.538 -5.659 -9.024 1.00 1.10 C ATOM 899 CG GLU A 59 2.758 -5.992 -10.313 1.00 1.39 C ATOM 900 CD GLU A 59 1.701 -7.069 -10.141 1.00 1.61 C ATOM 901 OE1 GLU A 59 2.076 -8.231 -9.878 1.00 2.36 O ATOM 902 OE2 GLU A 59 0.501 -6.723 -10.162 1.00 2.94 O ATOM 0 H GLU A 59 1.854 -4.173 -8.409 1.00 1.08 H new ATOM 0 HA GLU A 59 2.340 -6.856 -7.662 1.00 1.12 H new ATOM 0 HB2 GLU A 59 3.854 -4.617 -9.076 1.00 1.10 H new ATOM 0 HB3 GLU A 59 4.443 -6.266 -9.007 1.00 1.10 H new ATOM 0 HG2 GLU A 59 2.279 -5.084 -10.679 1.00 1.39 H new ATOM 0 HG3 GLU A 59 3.464 -6.311 -11.079 1.00 1.39 H new ATOM 909 N PHE A 60 4.472 -4.680 -6.369 1.00 1.08 N ATOM 910 CA PHE A 60 5.491 -4.461 -5.358 1.00 1.16 C ATOM 911 C PHE A 60 4.990 -4.934 -4.000 1.00 1.15 C ATOM 912 O PHE A 60 5.693 -5.645 -3.285 1.00 1.31 O ATOM 913 CB PHE A 60 5.840 -2.968 -5.285 1.00 1.21 C ATOM 914 CG PHE A 60 6.725 -2.371 -6.368 1.00 1.89 C ATOM 915 CD1 PHE A 60 7.051 -3.078 -7.544 1.00 3.01 C ATOM 916 CD2 PHE A 60 7.283 -1.095 -6.154 1.00 2.64 C ATOM 917 CE1 PHE A 60 7.951 -2.527 -8.473 1.00 3.63 C ATOM 918 CE2 PHE A 60 8.191 -0.550 -7.077 1.00 3.33 C ATOM 919 CZ PHE A 60 8.532 -1.269 -8.234 1.00 3.44 C ATOM 0 H PHE A 60 4.344 -3.872 -6.978 1.00 1.08 H new ATOM 0 HA PHE A 60 6.382 -5.028 -5.628 1.00 1.16 H new ATOM 0 HB2 PHE A 60 4.904 -2.410 -5.278 1.00 1.21 H new ATOM 0 HB3 PHE A 60 6.325 -2.789 -4.326 1.00 1.21 H new ATOM 0 HD1 PHE A 60 6.608 -4.045 -7.731 1.00 3.01 H new ATOM 0 HD2 PHE A 60 7.011 -0.532 -5.274 1.00 2.64 H new ATOM 0 HE1 PHE A 60 8.197 -3.071 -9.373 1.00 3.63 H new ATOM 0 HE2 PHE A 60 8.627 0.422 -6.897 1.00 3.33 H new ATOM 0 HZ PHE A 60 9.239 -0.857 -8.939 1.00 3.44 H new ATOM 929 N ILE A 61 3.765 -4.542 -3.645 1.00 1.01 N ATOM 930 CA ILE A 61 3.185 -4.903 -2.360 1.00 0.96 C ATOM 931 C ILE A 61 3.135 -6.432 -2.178 1.00 0.91 C ATOM 932 O ILE A 61 3.413 -6.936 -1.089 1.00 0.98 O ATOM 933 CB ILE A 61 1.816 -4.222 -2.200 1.00 0.92 C ATOM 934 CG1 ILE A 61 1.991 -2.692 -2.121 1.00 0.90 C ATOM 935 CG2 ILE A 61 1.168 -4.698 -0.899 1.00 0.95 C ATOM 936 CD1 ILE A 61 0.681 -1.945 -2.385 1.00 1.14 C ATOM 0 H ILE A 61 3.158 -3.973 -4.235 1.00 1.01 H new ATOM 0 HA ILE A 61 3.823 -4.536 -1.556 1.00 0.96 H new ATOM 0 HB ILE A 61 1.193 -4.478 -3.057 1.00 0.92 H new ATOM 0 HG12 ILE A 61 2.369 -2.422 -1.135 1.00 0.90 H new ATOM 0 HG13 ILE A 61 2.740 -2.376 -2.847 1.00 0.90 H new ATOM 0 HG21 ILE A 61 0.196 -4.218 -0.780 1.00 0.95 H new ATOM 0 HG22 ILE A 61 1.037 -5.780 -0.932 1.00 0.95 H new ATOM 0 HG23 ILE A 61 1.808 -4.436 -0.057 1.00 0.95 H new ATOM 0 HD11 ILE A 61 0.855 -0.871 -2.318 1.00 1.14 H new ATOM 0 HD12 ILE A 61 0.316 -2.192 -3.382 1.00 1.14 H new ATOM 0 HD13 ILE A 61 -0.061 -2.239 -1.643 1.00 1.14 H new ATOM 948 N ARG A 62 2.804 -7.181 -3.234 1.00 0.85 N ATOM 949 CA ARG A 62 2.859 -8.635 -3.206 1.00 0.83 C ATOM 950 C ARG A 62 4.297 -9.135 -3.155 1.00 0.91 C ATOM 951 O ARG A 62 4.601 -10.013 -2.351 1.00 0.93 O ATOM 952 CB ARG A 62 2.087 -9.226 -4.392 1.00 0.87 C ATOM 953 CG ARG A 62 0.603 -9.223 -4.031 1.00 1.03 C ATOM 954 CD ARG A 62 -0.304 -9.790 -5.124 1.00 1.33 C ATOM 955 NE ARG A 62 -0.742 -8.730 -6.040 1.00 1.73 N ATOM 956 CZ ARG A 62 -0.213 -8.420 -7.232 1.00 2.29 C ATOM 957 NH1 ARG A 62 0.848 -9.089 -7.689 1.00 2.29 N ATOM 958 NH2 ARG A 62 -0.769 -7.448 -7.956 1.00 3.62 N ATOM 0 H ARG A 62 2.493 -6.794 -4.125 1.00 0.85 H new ATOM 0 HA ARG A 62 2.374 -8.979 -2.292 1.00 0.83 H new ATOM 0 HB2 ARG A 62 2.262 -8.638 -5.293 1.00 0.87 H new ATOM 0 HB3 ARG A 62 2.427 -10.240 -4.602 1.00 0.87 H new ATOM 0 HG2 ARG A 62 0.460 -9.802 -3.118 1.00 1.03 H new ATOM 0 HG3 ARG A 62 0.295 -8.201 -3.812 1.00 1.03 H new ATOM 0 HD2 ARG A 62 0.228 -10.561 -5.681 1.00 1.33 H new ATOM 0 HD3 ARG A 62 -1.173 -10.267 -4.671 1.00 1.33 H new ATOM 0 HE ARG A 62 -1.537 -8.167 -5.736 1.00 1.73 H new ATOM 0 HH11 ARG A 62 1.258 -9.838 -7.131 1.00 2.29 H new ATOM 0 HH12 ARG A 62 1.249 -8.851 -8.596 1.00 2.29 H new ATOM 0 HH21 ARG A 62 -1.586 -6.951 -7.601 1.00 3.62 H new ATOM 0 HH22 ARG A 62 -0.377 -7.201 -8.865 1.00 3.62 H new ATOM 972 N GLU A 63 5.177 -8.591 -3.996 1.00 1.03 N ATOM 973 CA GLU A 63 6.565 -8.988 -4.042 1.00 1.14 C ATOM 974 C GLU A 63 7.216 -8.891 -2.659 1.00 1.11 C ATOM 975 O GLU A 63 7.905 -9.819 -2.238 1.00 1.19 O ATOM 976 CB GLU A 63 7.275 -8.107 -5.070 1.00 1.39 C ATOM 977 CG GLU A 63 6.812 -8.369 -6.500 1.00 1.59 C ATOM 978 CD GLU A 63 7.469 -7.401 -7.472 1.00 2.19 C ATOM 979 OE1 GLU A 63 8.684 -7.574 -7.704 1.00 2.80 O ATOM 980 OE2 GLU A 63 6.748 -6.498 -7.945 1.00 3.24 O ATOM 0 H GLU A 63 4.935 -7.859 -4.664 1.00 1.03 H new ATOM 0 HA GLU A 63 6.647 -10.033 -4.342 1.00 1.14 H new ATOM 0 HB2 GLU A 63 7.102 -7.059 -4.824 1.00 1.39 H new ATOM 0 HB3 GLU A 63 8.350 -8.276 -5.005 1.00 1.39 H new ATOM 0 HG2 GLU A 63 7.054 -9.394 -6.782 1.00 1.59 H new ATOM 0 HG3 GLU A 63 5.728 -8.270 -6.559 1.00 1.59 H new ATOM 987 N LEU A 64 7.016 -7.774 -1.949 1.00 1.16 N ATOM 988 CA LEU A 64 7.654 -7.546 -0.666 1.00 1.36 C ATOM 989 C LEU A 64 6.826 -8.061 0.513 1.00 1.37 C ATOM 990 O LEU A 64 7.405 -8.458 1.522 1.00 1.52 O ATOM 991 CB LEU A 64 8.043 -6.075 -0.541 1.00 1.82 C ATOM 992 CG LEU A 64 6.877 -5.091 -0.387 1.00 1.48 C ATOM 993 CD1 LEU A 64 6.553 -4.824 1.084 1.00 1.65 C ATOM 994 CD2 LEU A 64 7.322 -3.783 -1.039 1.00 2.81 C ATOM 0 H LEU A 64 6.409 -7.013 -2.253 1.00 1.16 H new ATOM 0 HA LEU A 64 8.569 -8.138 -0.626 1.00 1.36 H new ATOM 0 HB2 LEU A 64 8.704 -5.964 0.319 1.00 1.82 H new ATOM 0 HB3 LEU A 64 8.618 -5.794 -1.423 1.00 1.82 H new ATOM 0 HG LEU A 64 5.982 -5.506 -0.850 1.00 1.48 H new ATOM 0 HD11 LEU A 64 5.722 -4.122 1.152 1.00 1.65 H new ATOM 0 HD12 LEU A 64 6.279 -5.759 1.572 1.00 1.65 H new ATOM 0 HD13 LEU A 64 7.427 -4.400 1.578 1.00 1.65 H new ATOM 0 HD21 LEU A 64 6.524 -3.045 -0.956 1.00 2.81 H new ATOM 0 HD22 LEU A 64 8.214 -3.411 -0.535 1.00 2.81 H new ATOM 0 HD23 LEU A 64 7.546 -3.959 -2.091 1.00 2.81 H new ATOM 1006 N GLY A 65 5.491 -7.982 0.433 1.00 1.51 N ATOM 1007 CA GLY A 65 4.638 -7.986 1.614 1.00 2.29 C ATOM 1008 C GLY A 65 3.581 -9.086 1.624 1.00 1.52 C ATOM 1009 O GLY A 65 3.700 -10.052 2.375 1.00 1.94 O ATOM 0 H GLY A 65 4.982 -7.914 -0.448 1.00 1.51 H new ATOM 0 HA2 GLY A 65 5.265 -8.093 2.499 1.00 2.29 H new ATOM 0 HA3 GLY A 65 4.140 -7.020 1.691 1.00 2.29 H new ATOM 1013 N PHE A 66 2.480 -8.885 0.894 1.00 1.05 N ATOM 1014 CA PHE A 66 1.211 -9.542 1.216 1.00 1.11 C ATOM 1015 C PHE A 66 0.229 -9.430 0.057 1.00 1.14 C ATOM 1016 O PHE A 66 0.454 -8.668 -0.880 1.00 1.93 O ATOM 1017 CB PHE A 66 0.631 -8.993 2.536 1.00 1.62 C ATOM 1018 CG PHE A 66 1.041 -7.578 2.893 1.00 1.90 C ATOM 1019 CD1 PHE A 66 0.526 -6.488 2.169 1.00 3.34 C ATOM 1020 CD2 PHE A 66 2.057 -7.368 3.844 1.00 2.40 C ATOM 1021 CE1 PHE A 66 1.071 -5.207 2.357 1.00 4.63 C ATOM 1022 CE2 PHE A 66 2.661 -6.108 3.957 1.00 3.35 C ATOM 1023 CZ PHE A 66 2.205 -5.040 3.166 1.00 4.42 C ATOM 0 H PHE A 66 2.442 -8.274 0.078 1.00 1.05 H new ATOM 0 HA PHE A 66 1.398 -10.605 1.368 1.00 1.11 H new ATOM 0 HB2 PHE A 66 -0.457 -9.033 2.479 1.00 1.62 H new ATOM 0 HB3 PHE A 66 0.932 -9.655 3.348 1.00 1.62 H new ATOM 0 HD1 PHE A 66 -0.285 -6.635 1.471 1.00 3.34 H new ATOM 0 HD2 PHE A 66 2.371 -8.177 4.486 1.00 2.40 H new ATOM 0 HE1 PHE A 66 0.617 -4.351 1.879 1.00 4.63 H new ATOM 0 HE2 PHE A 66 3.475 -5.958 4.651 1.00 3.35 H new ATOM 0 HZ PHE A 66 2.726 -4.094 3.181 1.00 4.42 H new ATOM 1033 N GLY A 67 -0.841 -10.231 0.102 1.00 0.94 N ATOM 1034 CA GLY A 67 -1.626 -10.630 -1.058 1.00 1.00 C ATOM 1035 C GLY A 67 -2.596 -9.559 -1.531 1.00 1.12 C ATOM 1036 O GLY A 67 -3.813 -9.698 -1.450 1.00 1.95 O ATOM 0 H GLY A 67 -1.190 -10.628 0.974 1.00 0.94 H new ATOM 0 HA2 GLY A 67 -0.950 -10.883 -1.875 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -2.185 -11.534 -0.815 1.00 1.00 H new ATOM 1040 N ALA A 68 -2.012 -8.475 -2.007 1.00 0.88 N ATOM 1041 CA ALA A 68 -2.679 -7.209 -2.228 1.00 0.84 C ATOM 1042 C ALA A 68 -3.279 -7.083 -3.625 1.00 0.81 C ATOM 1043 O ALA A 68 -2.740 -7.606 -4.601 1.00 1.09 O ATOM 1044 CB ALA A 68 -1.683 -6.080 -1.962 1.00 0.94 C ATOM 0 H ALA A 68 -1.024 -8.453 -2.259 1.00 0.88 H new ATOM 0 HA ALA A 68 -3.521 -7.147 -1.538 1.00 0.84 H new ATOM 0 HB1 ALA A 68 -2.171 -5.119 -2.124 1.00 0.94 H new ATOM 0 HB2 ALA A 68 -1.332 -6.139 -0.932 1.00 0.94 H new ATOM 0 HB3 ALA A 68 -0.835 -6.176 -2.640 1.00 0.94 H new ATOM 1050 N THR A 69 -4.388 -6.346 -3.724 1.00 0.72 N ATOM 1051 CA THR A 69 -5.042 -6.020 -4.970 1.00 0.95 C ATOM 1052 C THR A 69 -5.542 -4.580 -4.865 1.00 0.83 C ATOM 1053 O THR A 69 -5.967 -4.156 -3.791 1.00 0.80 O ATOM 1054 CB THR A 69 -6.167 -7.032 -5.237 1.00 1.25 C ATOM 1055 OG1 THR A 69 -6.966 -6.553 -6.286 1.00 2.67 O ATOM 1056 CG2 THR A 69 -7.080 -7.298 -4.041 1.00 1.53 C ATOM 0 H THR A 69 -4.860 -5.954 -2.910 1.00 0.72 H new ATOM 0 HA THR A 69 -4.362 -6.085 -5.819 1.00 0.95 H new ATOM 0 HB THR A 69 -5.671 -7.973 -5.475 1.00 1.25 H new ATOM 0 HG1 THR A 69 -7.687 -7.192 -6.466 1.00 2.67 H new ATOM 0 HG21 THR A 69 -7.844 -8.024 -4.321 1.00 1.53 H new ATOM 0 HG22 THR A 69 -6.490 -7.693 -3.214 1.00 1.53 H new ATOM 0 HG23 THR A 69 -7.558 -6.368 -3.734 1.00 1.53 H new ATOM 1064 N VAL A 70 -5.510 -3.848 -5.979 1.00 0.79 N ATOM 1065 CA VAL A 70 -5.909 -2.449 -6.075 1.00 0.68 C ATOM 1066 C VAL A 70 -7.433 -2.400 -6.210 1.00 0.71 C ATOM 1067 O VAL A 70 -8.000 -3.138 -7.013 1.00 0.79 O ATOM 1068 CB VAL A 70 -5.163 -1.822 -7.274 1.00 0.72 C ATOM 1069 CG1 VAL A 70 -5.955 -0.742 -8.018 1.00 1.39 C ATOM 1070 CG2 VAL A 70 -3.830 -1.230 -6.798 1.00 1.88 C ATOM 0 H VAL A 70 -5.193 -4.230 -6.870 1.00 0.79 H new ATOM 0 HA VAL A 70 -5.644 -1.871 -5.190 1.00 0.68 H new ATOM 0 HB VAL A 70 -5.008 -2.633 -7.985 1.00 0.72 H new ATOM 0 HG11 VAL A 70 -5.357 -0.356 -8.844 1.00 1.39 H new ATOM 0 HG12 VAL A 70 -6.878 -1.171 -8.408 1.00 1.39 H new ATOM 0 HG13 VAL A 70 -6.194 0.071 -7.333 1.00 1.39 H new ATOM 0 HG21 VAL A 70 -3.305 -0.788 -7.645 1.00 1.88 H new ATOM 0 HG22 VAL A 70 -4.020 -0.462 -6.048 1.00 1.88 H new ATOM 0 HG23 VAL A 70 -3.217 -2.019 -6.362 1.00 1.88 H new ATOM 1080 N ILE A 71 -8.093 -1.574 -5.388 1.00 0.75 N ATOM 1081 CA ILE A 71 -9.546 -1.515 -5.265 1.00 0.94 C ATOM 1082 C ILE A 71 -10.008 -0.097 -4.932 1.00 1.14 C ATOM 1083 O ILE A 71 -10.651 0.141 -3.910 1.00 1.81 O ATOM 1084 CB ILE A 71 -10.036 -2.505 -4.198 1.00 1.25 C ATOM 1085 CG1 ILE A 71 -9.313 -2.323 -2.848 1.00 1.91 C ATOM 1086 CG2 ILE A 71 -9.884 -3.939 -4.705 1.00 3.13 C ATOM 1087 CD1 ILE A 71 -10.227 -2.693 -1.678 1.00 2.62 C ATOM 0 H ILE A 71 -7.614 -0.913 -4.776 1.00 0.75 H new ATOM 0 HA ILE A 71 -9.980 -1.796 -6.225 1.00 0.94 H new ATOM 0 HB ILE A 71 -11.091 -2.296 -4.018 1.00 1.25 H new ATOM 0 HG12 ILE A 71 -8.418 -2.945 -2.825 1.00 1.91 H new ATOM 0 HG13 ILE A 71 -8.985 -1.289 -2.744 1.00 1.91 H new ATOM 0 HG21 ILE A 71 -10.234 -4.634 -3.942 1.00 3.13 H new ATOM 0 HG22 ILE A 71 -10.475 -4.069 -5.612 1.00 3.13 H new ATOM 0 HG23 ILE A 71 -8.835 -4.138 -4.924 1.00 3.13 H new ATOM 0 HD11 ILE A 71 -9.690 -2.555 -0.739 1.00 2.62 H new ATOM 0 HD12 ILE A 71 -11.109 -2.053 -1.689 1.00 2.62 H new ATOM 0 HD13 ILE A 71 -10.533 -3.735 -1.771 1.00 2.62 H new ATOM 1099 N GLU A 72 -9.693 0.847 -5.814 1.00 1.29 N ATOM 1100 CA GLU A 72 -10.136 2.222 -5.660 1.00 1.53 C ATOM 1101 C GLU A 72 -11.663 2.276 -5.583 1.00 1.83 C ATOM 1102 O GLU A 72 -12.343 1.575 -6.339 1.00 2.24 O ATOM 1103 CB GLU A 72 -9.581 3.052 -6.816 1.00 1.71 C ATOM 1104 CG GLU A 72 -9.961 4.544 -6.760 1.00 2.93 C ATOM 1105 CD GLU A 72 -9.645 5.240 -5.442 1.00 4.46 C ATOM 1106 OE1 GLU A 72 -10.260 4.889 -4.412 1.00 5.69 O ATOM 1107 OE2 GLU A 72 -8.820 6.180 -5.447 1.00 5.03 O ATOM 0 H GLU A 72 -9.129 0.679 -6.647 1.00 1.29 H new ATOM 0 HA GLU A 72 -9.758 2.644 -4.729 1.00 1.53 H new ATOM 0 HB2 GLU A 72 -8.494 2.965 -6.822 1.00 1.71 H new ATOM 0 HB3 GLU A 72 -9.940 2.632 -7.756 1.00 1.71 H new ATOM 0 HG2 GLU A 72 -9.441 5.066 -7.563 1.00 2.93 H new ATOM 0 HG3 GLU A 72 -11.029 4.639 -6.957 1.00 2.93 H new ATOM 1114 N ASN A 73 -12.205 3.066 -4.652 1.00 2.59 N ATOM 1115 CA ASN A 73 -13.636 3.122 -4.383 1.00 3.16 C ATOM 1116 C ASN A 73 -13.967 4.090 -3.249 1.00 4.57 C ATOM 1117 O ASN A 73 -13.247 4.144 -2.255 1.00 5.71 O ATOM 1118 CB ASN A 73 -14.186 1.723 -4.025 1.00 4.05 C ATOM 1119 CG ASN A 73 -15.362 1.355 -4.918 1.00 4.20 C ATOM 1120 OD1 ASN A 73 -16.507 1.337 -4.481 1.00 4.94 O ATOM 1121 ND2 ASN A 73 -15.081 1.072 -6.184 1.00 4.56 N ATOM 0 H ASN A 73 -11.654 3.688 -4.061 1.00 2.59 H new ATOM 0 HA ASN A 73 -14.110 3.481 -5.297 1.00 3.16 H new ATOM 0 HB2 ASN A 73 -13.396 0.979 -4.133 1.00 4.05 H new ATOM 0 HB3 ASN A 73 -14.499 1.707 -2.981 1.00 4.05 H new ATOM 0 HD21 ASN A 73 -15.831 0.829 -6.831 1.00 4.56 H new ATOM 0 HD22 ASN A 73 -14.115 1.098 -6.510 1.00 4.56 H new ATOM 1128 N ILE A 74 -15.117 4.765 -3.364 1.00 4.96 N ATOM 1129 CA ILE A 74 -15.741 5.562 -2.312 1.00 6.59 C ATOM 1130 C ILE A 74 -14.865 6.761 -1.928 1.00 8.11 C ATOM 1131 O ILE A 74 -14.216 6.773 -0.884 1.00 9.33 O ATOM 1132 CB ILE A 74 -16.170 4.694 -1.105 1.00 7.48 C ATOM 1133 CG1 ILE A 74 -16.995 3.477 -1.571 1.00 7.63 C ATOM 1134 CG2 ILE A 74 -17.012 5.531 -0.124 1.00 8.71 C ATOM 1135 CD1 ILE A 74 -17.409 2.546 -0.427 1.00 9.12 C ATOM 0 H ILE A 74 -15.657 4.768 -4.230 1.00 4.96 H new ATOM 0 HA ILE A 74 -16.666 5.979 -2.709 1.00 6.59 H new ATOM 0 HB ILE A 74 -15.268 4.340 -0.606 1.00 7.48 H new ATOM 0 HG12 ILE A 74 -17.890 3.829 -2.084 1.00 7.63 H new ATOM 0 HG13 ILE A 74 -16.413 2.910 -2.298 1.00 7.63 H new ATOM 0 HG21 ILE A 74 -17.309 4.911 0.722 1.00 8.71 H new ATOM 0 HG22 ILE A 74 -16.422 6.375 0.234 1.00 8.71 H new ATOM 0 HG23 ILE A 74 -17.902 5.901 -0.633 1.00 8.71 H new ATOM 0 HD11 ILE A 74 -17.986 1.712 -0.827 1.00 9.12 H new ATOM 0 HD12 ILE A 74 -16.518 2.165 0.072 1.00 9.12 H new ATOM 0 HD13 ILE A 74 -18.018 3.098 0.289 1.00 9.12 H new ATOM 1147 N GLU A 75 -14.913 7.807 -2.755 1.00 8.62 N ATOM 1148 CA GLU A 75 -14.307 9.093 -2.449 1.00 10.53 C ATOM 1149 C GLU A 75 -15.059 9.766 -1.299 1.00 11.73 C ATOM 1150 O GLU A 75 -14.458 10.278 -0.358 1.00 12.70 O ATOM 1151 CB GLU A 75 -14.327 9.986 -3.703 1.00 11.05 C ATOM 1152 CG GLU A 75 -13.766 9.283 -4.947 1.00 10.85 C ATOM 1153 CD GLU A 75 -12.416 8.657 -4.655 1.00 11.99 C ATOM 1154 OE1 GLU A 75 -11.440 9.417 -4.468 1.00 12.97 O ATOM 1155 OE2 GLU A 75 -12.355 7.414 -4.527 1.00 12.21 O ATOM 0 H GLU A 75 -15.379 7.780 -3.662 1.00 8.62 H new ATOM 0 HA GLU A 75 -13.272 8.941 -2.142 1.00 10.53 H new ATOM 0 HB2 GLU A 75 -15.351 10.302 -3.901 1.00 11.05 H new ATOM 0 HB3 GLU A 75 -13.747 10.888 -3.509 1.00 11.05 H new ATOM 0 HG2 GLU A 75 -14.463 8.514 -5.280 1.00 10.85 H new ATOM 0 HG3 GLU A 75 -13.670 10.000 -5.762 1.00 10.85 H new ATOM 1162 N GLY A 76 -16.388 9.788 -1.410 1.00 11.86 N ATOM 1163 CA GLY A 76 -17.294 10.493 -0.523 1.00 13.16 C ATOM 1164 C GLY A 76 -18.577 10.749 -1.307 1.00 13.26 C ATOM 1165 O GLY A 76 -18.786 10.129 -2.352 1.00 12.43 O ATOM 0 H GLY A 76 -16.876 9.291 -2.155 1.00 11.86 H new ATOM 0 HA2 GLY A 76 -17.499 9.901 0.369 1.00 13.16 H new ATOM 0 HA3 GLY A 76 -16.853 11.432 -0.188 1.00 13.16 H new ATOM 1169 N ARG A 77 -19.418 11.665 -0.831 1.00 14.49 N ATOM 1170 CA ARG A 77 -20.591 12.160 -1.522 1.00 15.00 C ATOM 1171 C ARG A 77 -20.896 13.500 -0.851 1.00 16.74 C ATOM 1172 O ARG A 77 -20.393 13.684 0.279 1.00 17.53 O ATOM 1173 CB ARG A 77 -21.758 11.150 -1.413 1.00 14.62 C ATOM 1174 CG ARG A 77 -22.336 10.724 -2.779 1.00 14.39 C ATOM 1175 CD ARG A 77 -23.514 11.589 -3.256 1.00 15.38 C ATOM 1176 NE ARG A 77 -23.224 13.016 -3.091 1.00 16.81 N ATOM 1177 CZ ARG A 77 -24.046 14.054 -3.276 1.00 17.93 C ATOM 1178 NH1 ARG A 77 -25.205 13.895 -3.925 1.00 17.79 N ATOM 1179 NH2 ARG A 77 -23.677 15.237 -2.783 1.00 19.40 N ATOM 1180 OXT ARG A 77 -21.606 14.313 -1.488 1.00 17.47 O ATOM 0 H ARG A 77 -19.289 12.096 0.085 1.00 14.49 H new ATOM 0 HA ARG A 77 -20.435 12.288 -2.593 1.00 15.00 H new ATOM 0 HB2 ARG A 77 -21.412 10.263 -0.882 1.00 14.62 H new ATOM 0 HB3 ARG A 77 -22.554 11.591 -0.813 1.00 14.62 H new ATOM 0 HG2 ARG A 77 -21.543 10.764 -3.526 1.00 14.39 H new ATOM 0 HG3 ARG A 77 -22.663 9.686 -2.716 1.00 14.39 H new ATOM 0 HD2 ARG A 77 -23.724 11.377 -4.304 1.00 15.38 H new ATOM 0 HD3 ARG A 77 -24.411 11.330 -2.693 1.00 15.38 H new ATOM 0 HE ARG A 77 -22.275 13.247 -2.798 1.00 16.81 H new ATOM 0 HH11 ARG A 77 -25.467 12.977 -4.283 1.00 17.79 H new ATOM 0 HH12 ARG A 77 -25.826 14.692 -4.062 1.00 17.79 H new ATOM 0 HH21 ARG A 77 -22.792 15.328 -2.284 1.00 19.40 H new ATOM 0 HH22 ARG A 77 -24.279 16.051 -2.905 1.00 19.40 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 1.035 -9.614 8.228 1.00 2.51 CU