USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 32 LYS NZ :NH3+ -113:sc= -2.05! (180deg=-3.94!) USER MOD Set 1.2: A 78 TYR OH : rot 39:sc= -1.33! USER MOD Set 2.1: A 1 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.1) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.32 (180deg=1.14) USER MOD Single : A 6 THR OG1 : rot 142:sc= 0.569 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 147:sc= 0.0101 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.015) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 25 SER OG : rot -94:sc= 1.28 USER MOD Single : A 26 THR OG1 : rot -93:sc= 1.31 USER MOD Single : A 27 ASN : amide:sc= -0.0281 K(o=-0.028,f=-0.73) USER MOD Single : A 30 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.015) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.14) USER MOD Single : A 35 ASN : amide:sc= 1.55 K(o=1.6,f=0) USER MOD Single : A 36 THR OG1 : rot -47:sc= 1.37 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= 1.06 (180deg=0.239) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 86:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 1.64 K(o=1.6,f=-6.2!) USER MOD Single : A 60 THR OG1 : rot 106:sc= -0.311! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -146:sc= 0.876 USER MOD Single : A 70 ASN : amide:sc= 0.156 X(o=0.16,f=-0.022) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 77 LYS NZ :NH3+ -112:sc= 0.954 (180deg=-0.000912) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.11) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.345 K(o=0.34,f=-6.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.199 F(o=-0.81,f=-0.2) USER MOD Single : A 94 GLN : amide:sc= -2.25! C(o=-2.2!,f=-3.9!) USER MOD Single : A 98 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.853 14.994 -0.029 1.00 2.73 N ATOM 2 CA MET A 1 -5.522 15.192 0.587 1.00 1.99 C ATOM 3 C MET A 1 -4.941 13.841 0.994 1.00 1.53 C ATOM 4 O MET A 1 -4.112 13.272 0.281 1.00 2.16 O ATOM 5 CB MET A 1 -5.629 16.128 1.797 1.00 2.50 C ATOM 6 CG MET A 1 -4.298 16.444 2.455 1.00 3.10 C ATOM 7 SD MET A 1 -4.480 17.519 3.893 1.00 4.10 S ATOM 8 CE MET A 1 -2.769 17.710 4.388 1.00 4.70 C ATOM 0 H1 MET A 1 -7.203 15.901 -0.397 1.00 2.73 H new ATOM 0 H2 MET A 1 -6.776 14.310 -0.809 1.00 2.73 H new ATOM 0 H3 MET A 1 -7.516 14.631 0.686 1.00 2.73 H new ATOM 0 HA MET A 1 -4.854 15.656 -0.139 1.00 1.99 H new ATOM 0 HB2 MET A 1 -6.097 17.061 1.481 1.00 2.50 H new ATOM 0 HB3 MET A 1 -6.289 15.675 2.536 1.00 2.50 H new ATOM 0 HG2 MET A 1 -3.816 15.515 2.758 1.00 3.10 H new ATOM 0 HG3 MET A 1 -3.641 16.922 1.728 1.00 3.10 H new ATOM 0 HE1 MET A 1 -2.726 18.100 5.405 1.00 4.70 H new ATOM 0 HE2 MET A 1 -2.269 16.742 4.349 1.00 4.70 H new ATOM 0 HE3 MET A 1 -2.270 18.404 3.712 1.00 4.70 H new ATOM 20 N GLN A 2 -5.377 13.319 2.133 1.00 0.97 N ATOM 21 CA GLN A 2 -5.045 11.956 2.510 1.00 0.74 C ATOM 22 C GLN A 2 -6.141 11.034 2.011 1.00 0.65 C ATOM 23 O GLN A 2 -6.997 10.583 2.773 1.00 0.86 O ATOM 24 CB GLN A 2 -4.868 11.812 4.024 1.00 1.18 C ATOM 25 CG GLN A 2 -3.449 12.067 4.520 1.00 1.83 C ATOM 26 CD GLN A 2 -2.933 13.456 4.192 1.00 2.42 C ATOM 27 OE1 GLN A 2 -3.120 14.396 4.959 1.00 2.91 O ATOM 28 NE2 GLN A 2 -2.262 13.592 3.058 1.00 3.09 N ATOM 0 H GLN A 2 -5.958 13.817 2.807 1.00 0.97 H new ATOM 0 HA GLN A 2 -4.092 11.687 2.054 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -5.545 12.505 4.524 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -5.167 10.806 4.318 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.419 11.923 5.600 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.781 11.327 4.081 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -2.127 12.787 2.446 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -1.881 14.501 2.797 1.00 3.09 H new ATOM 37 N ASP A 3 -6.119 10.790 0.714 1.00 0.48 N ATOM 38 CA ASP A 3 -7.192 10.074 0.050 1.00 0.44 C ATOM 39 C ASP A 3 -6.641 9.105 -0.986 1.00 0.32 C ATOM 40 O ASP A 3 -5.429 8.908 -1.089 1.00 0.32 O ATOM 41 CB ASP A 3 -8.153 11.062 -0.626 1.00 0.55 C ATOM 42 CG ASP A 3 -7.516 11.790 -1.796 1.00 1.30 C ATOM 43 OD1 ASP A 3 -6.901 12.856 -1.574 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.624 11.292 -2.937 1.00 1.97 O ATOM 0 H ASP A 3 -5.362 11.080 0.095 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.733 9.504 0.805 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -9.035 10.524 -0.974 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.494 11.791 0.109 1.00 0.55 H new ATOM 49 N TRP A 4 -7.556 8.547 -1.766 1.00 0.32 N ATOM 50 CA TRP A 4 -7.264 7.493 -2.730 1.00 0.27 C ATOM 51 C TRP A 4 -6.159 7.877 -3.718 1.00 0.24 C ATOM 52 O TRP A 4 -5.338 7.040 -4.085 1.00 0.25 O ATOM 53 CB TRP A 4 -8.553 7.142 -3.482 1.00 0.29 C ATOM 54 CG TRP A 4 -8.390 6.093 -4.537 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.615 6.239 -5.874 1.00 0.33 C ATOM 56 CD2 TRP A 4 -7.968 4.736 -4.348 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.367 5.059 -6.526 1.00 0.32 N ATOM 58 CE2 TRP A 4 -7.970 4.121 -5.612 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.597 3.983 -3.234 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.607 2.790 -5.790 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.239 2.660 -3.414 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.250 2.075 -4.680 1.00 0.22 C ATOM 0 H TRP A 4 -8.539 8.818 -1.747 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.893 6.629 -2.179 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.298 6.803 -2.762 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.946 8.047 -3.945 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -8.941 7.152 -6.350 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.463 4.905 -7.530 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.590 4.426 -2.249 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.607 2.337 -6.770 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.946 2.069 -2.559 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.971 1.037 -4.786 1.00 0.22 H new ATOM 73 N LEU A 5 -6.129 9.133 -4.146 1.00 0.28 N ATOM 74 CA LEU A 5 -5.144 9.570 -5.131 1.00 0.32 C ATOM 75 C LEU A 5 -3.724 9.441 -4.586 1.00 0.32 C ATOM 76 O LEU A 5 -2.840 8.874 -5.239 1.00 0.35 O ATOM 77 CB LEU A 5 -5.421 11.013 -5.566 1.00 0.42 C ATOM 78 CG LEU A 5 -6.555 11.191 -6.585 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.226 10.468 -7.882 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.884 10.698 -6.031 1.00 0.84 C ATOM 0 H LEU A 5 -6.769 9.862 -3.831 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.231 8.920 -6.002 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.657 11.602 -4.680 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.507 11.428 -5.990 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.650 12.257 -6.789 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.041 10.605 -8.592 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.306 10.875 -8.302 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.094 9.405 -7.682 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.665 10.839 -6.779 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.805 9.639 -5.784 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -8.136 11.262 -5.133 1.00 0.84 H new ATOM 92 N THR A 6 -3.513 9.948 -3.381 1.00 0.34 N ATOM 93 CA THR A 6 -2.213 9.858 -2.734 1.00 0.40 C ATOM 94 C THR A 6 -1.951 8.423 -2.283 1.00 0.35 C ATOM 95 O THR A 6 -0.816 7.938 -2.319 1.00 0.37 O ATOM 96 CB THR A 6 -2.135 10.813 -1.524 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.502 12.140 -1.931 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.736 10.834 -0.926 1.00 0.61 C ATOM 0 H THR A 6 -4.226 10.427 -2.831 1.00 0.34 H new ATOM 0 HA THR A 6 -1.450 10.152 -3.455 1.00 0.40 H new ATOM 0 HB THR A 6 -2.827 10.453 -0.763 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.028 12.566 -1.222 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.714 11.516 -0.076 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.467 9.831 -0.594 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.023 11.170 -1.679 1.00 0.61 H new ATOM 106 N PHE A 7 -3.020 7.751 -1.876 1.00 0.29 N ATOM 107 CA PHE A 7 -2.960 6.359 -1.451 1.00 0.26 C ATOM 108 C PHE A 7 -2.431 5.478 -2.579 1.00 0.23 C ATOM 109 O PHE A 7 -1.595 4.599 -2.352 1.00 0.24 O ATOM 110 CB PHE A 7 -4.365 5.902 -1.035 1.00 0.24 C ATOM 111 CG PHE A 7 -4.431 4.541 -0.402 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.358 3.389 -1.172 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.577 4.417 0.969 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.426 2.141 -0.584 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.647 3.171 1.562 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.571 2.032 0.784 1.00 0.27 C ATOM 0 H PHE A 7 -3.955 8.157 -1.831 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.280 6.269 -0.604 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.775 6.631 -0.336 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.008 5.908 -1.915 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.247 3.469 -2.243 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.637 5.304 1.582 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.366 1.252 -1.194 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.761 3.088 2.633 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.625 1.057 1.246 1.00 0.27 H new ATOM 126 N GLN A 8 -2.914 5.731 -3.791 1.00 0.23 N ATOM 127 CA GLN A 8 -2.535 4.950 -4.956 1.00 0.24 C ATOM 128 C GLN A 8 -1.036 4.955 -5.190 1.00 0.24 C ATOM 129 O GLN A 8 -0.388 3.921 -5.080 1.00 0.25 O ATOM 130 CB GLN A 8 -3.216 5.492 -6.200 1.00 0.27 C ATOM 131 CG GLN A 8 -4.575 4.886 -6.476 1.00 0.27 C ATOM 132 CD GLN A 8 -5.133 5.319 -7.817 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.918 4.658 -8.830 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.841 6.438 -7.834 1.00 0.45 N ATOM 0 H GLN A 8 -3.576 6.481 -3.990 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.853 3.926 -4.760 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.326 6.572 -6.100 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.570 5.316 -7.060 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.498 3.799 -6.450 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.267 5.176 -5.686 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -5.996 6.957 -6.969 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.231 6.781 -8.712 1.00 0.45 H new ATOM 143 N LYS A 9 -0.489 6.123 -5.501 1.00 0.26 N ATOM 144 CA LYS A 9 0.913 6.235 -5.890 1.00 0.29 C ATOM 145 C LYS A 9 1.841 5.628 -4.843 1.00 0.29 C ATOM 146 O LYS A 9 2.910 5.113 -5.164 1.00 0.33 O ATOM 147 CB LYS A 9 1.261 7.699 -6.114 1.00 0.32 C ATOM 148 CG LYS A 9 0.104 8.467 -6.713 1.00 0.33 C ATOM 149 CD LYS A 9 0.514 9.819 -7.241 1.00 0.67 C ATOM 150 CE LYS A 9 1.138 10.697 -6.169 1.00 1.20 C ATOM 151 NZ LYS A 9 1.624 11.987 -6.727 1.00 1.88 N ATOM 0 H LYS A 9 -0.995 7.009 -5.492 1.00 0.26 H new ATOM 0 HA LYS A 9 1.055 5.676 -6.815 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.547 8.154 -5.165 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.125 7.770 -6.775 1.00 0.32 H new ATOM 0 HG2 LYS A 9 -0.334 7.883 -7.522 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.671 8.596 -5.957 1.00 0.33 H new ATOM 0 HD2 LYS A 9 1.225 9.687 -8.057 1.00 0.67 H new ATOM 0 HD3 LYS A 9 -0.358 10.323 -7.657 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.405 10.892 -5.387 1.00 1.20 H new ATOM 0 HE3 LYS A 9 1.968 10.167 -5.702 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 2.043 12.559 -5.966 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 2.342 11.801 -7.456 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.827 12.504 -7.150 1.00 1.88 H new ATOM 165 N LYS A 10 1.418 5.700 -3.593 1.00 0.28 N ATOM 166 CA LYS A 10 2.247 5.271 -2.474 1.00 0.30 C ATOM 167 C LYS A 10 2.013 3.814 -2.061 1.00 0.26 C ATOM 168 O LYS A 10 2.767 3.278 -1.249 1.00 0.29 O ATOM 169 CB LYS A 10 2.032 6.212 -1.283 1.00 0.38 C ATOM 170 CG LYS A 10 2.485 7.636 -1.572 1.00 0.63 C ATOM 171 CD LYS A 10 2.473 8.523 -0.334 1.00 0.73 C ATOM 172 CE LYS A 10 3.534 8.102 0.670 1.00 1.10 C ATOM 173 NZ LYS A 10 3.718 9.117 1.741 1.00 1.34 N ATOM 0 H LYS A 10 0.500 6.053 -3.324 1.00 0.28 H new ATOM 0 HA LYS A 10 3.283 5.322 -2.809 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.975 6.218 -1.016 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.577 5.830 -0.420 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.492 7.614 -1.988 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.836 8.072 -2.332 1.00 0.63 H new ATOM 0 HD2 LYS A 10 2.640 9.559 -0.627 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.490 8.479 0.135 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.252 7.149 1.118 1.00 1.10 H new ATOM 0 HE3 LYS A 10 4.481 7.944 0.153 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.964 8.641 2.632 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 4.483 9.769 1.474 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 2.835 9.652 1.867 1.00 1.34 H new ATOM 187 N HIS A 11 0.981 3.164 -2.593 1.00 0.25 N ATOM 188 CA HIS A 11 0.669 1.801 -2.155 1.00 0.24 C ATOM 189 C HIS A 11 0.307 0.865 -3.300 1.00 0.23 C ATOM 190 O HIS A 11 0.311 -0.345 -3.122 1.00 0.26 O ATOM 191 CB HIS A 11 -0.469 1.792 -1.131 1.00 0.26 C ATOM 192 CG HIS A 11 -0.103 2.402 0.185 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.733 1.789 1.097 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.453 3.586 0.738 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.876 2.571 2.151 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.167 3.667 1.957 1.00 0.37 N ATOM 0 H HIS A 11 0.360 3.543 -3.308 1.00 0.25 H new ATOM 0 HA HIS A 11 1.587 1.431 -1.698 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.322 2.330 -1.545 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.790 0.763 -0.967 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.171 0.876 0.976 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.101 4.330 0.299 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.472 2.351 3.024 1.00 0.34 H new ATOM 205 N ILE A 12 -0.004 1.400 -4.464 1.00 0.23 N ATOM 206 CA ILE A 12 -0.457 0.567 -5.569 1.00 0.24 C ATOM 207 C ILE A 12 0.681 0.304 -6.549 1.00 0.23 C ATOM 208 O ILE A 12 1.092 1.195 -7.296 1.00 0.30 O ATOM 209 CB ILE A 12 -1.654 1.213 -6.315 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.825 1.448 -5.355 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.102 0.347 -7.485 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.335 0.191 -4.682 1.00 0.48 C ATOM 0 H ILE A 12 0.047 2.397 -4.672 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.789 -0.381 -5.145 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.322 2.174 -6.707 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.515 2.158 -4.588 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.644 1.911 -5.905 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.942 0.824 -7.990 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.277 0.229 -8.187 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.408 -0.632 -7.117 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.163 0.443 -4.019 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.678 -0.514 -5.439 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.531 -0.263 -4.102 1.00 0.48 H new ATOM 224 N THR A 13 1.205 -0.915 -6.525 1.00 0.20 N ATOM 225 CA THR A 13 2.241 -1.311 -7.462 1.00 0.21 C ATOM 226 C THR A 13 1.725 -2.430 -8.360 1.00 0.22 C ATOM 227 O THR A 13 0.910 -3.252 -7.941 1.00 0.24 O ATOM 228 CB THR A 13 3.554 -1.749 -6.759 1.00 0.21 C ATOM 229 OG1 THR A 13 4.581 -1.980 -7.733 1.00 0.30 O ATOM 230 CG2 THR A 13 3.369 -3.013 -5.939 1.00 0.21 C ATOM 0 H THR A 13 0.928 -1.643 -5.867 1.00 0.20 H new ATOM 0 HA THR A 13 2.484 -0.434 -8.063 1.00 0.21 H new ATOM 0 HB THR A 13 3.840 -0.940 -6.086 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.352 -2.405 -7.301 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.314 -3.281 -5.466 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.614 -2.842 -5.171 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.046 -3.825 -6.590 1.00 0.21 H new ATOM 238 N ASN A 14 2.195 -2.455 -9.595 1.00 0.28 N ATOM 239 CA ASN A 14 1.739 -3.445 -10.558 1.00 0.33 C ATOM 240 C ASN A 14 2.841 -4.457 -10.834 1.00 0.32 C ATOM 241 O ASN A 14 2.805 -5.195 -11.822 1.00 0.36 O ATOM 242 CB ASN A 14 1.291 -2.762 -11.856 1.00 0.46 C ATOM 243 CG ASN A 14 2.415 -2.039 -12.573 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.083 -2.605 -13.436 1.00 2.20 O ATOM 245 ND2 ASN A 14 2.633 -0.780 -12.225 1.00 2.08 N ATOM 0 H ASN A 14 2.891 -1.802 -9.955 1.00 0.28 H new ATOM 0 HA ASN A 14 0.883 -3.974 -10.138 1.00 0.33 H new ATOM 0 HB2 ASN A 14 0.866 -3.511 -12.524 1.00 0.46 H new ATOM 0 HB3 ASN A 14 0.497 -2.050 -11.629 1.00 0.46 H new ATOM 0 HD21 ASN A 14 3.376 -0.247 -12.678 1.00 2.08 H new ATOM 0 HD22 ASN A 14 2.058 -0.343 -11.504 1.00 2.08 H new ATOM 252 N THR A 15 3.818 -4.491 -9.939 1.00 0.33 N ATOM 253 CA THR A 15 4.895 -5.458 -10.014 1.00 0.36 C ATOM 254 C THR A 15 5.244 -5.967 -8.614 1.00 0.33 C ATOM 255 O THR A 15 5.211 -5.207 -7.643 1.00 0.36 O ATOM 256 CB THR A 15 6.149 -4.861 -10.697 1.00 0.42 C ATOM 257 OG1 THR A 15 7.183 -5.849 -10.788 1.00 0.48 O ATOM 258 CG2 THR A 15 6.668 -3.643 -9.944 1.00 0.43 C ATOM 0 H THR A 15 3.883 -3.852 -9.147 1.00 0.33 H new ATOM 0 HA THR A 15 4.552 -6.294 -10.624 1.00 0.36 H new ATOM 0 HB THR A 15 5.859 -4.544 -11.699 1.00 0.42 H new ATOM 0 HG1 THR A 15 7.970 -5.460 -11.223 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.549 -3.250 -10.451 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.894 -2.876 -9.914 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.933 -3.930 -8.927 1.00 0.43 H new ATOM 266 N ARG A 16 5.541 -7.261 -8.514 1.00 0.32 N ATOM 267 CA ARG A 16 5.921 -7.874 -7.244 1.00 0.31 C ATOM 268 C ARG A 16 7.269 -7.352 -6.772 1.00 0.33 C ATOM 269 O ARG A 16 7.582 -7.395 -5.580 1.00 0.45 O ATOM 270 CB ARG A 16 5.977 -9.401 -7.380 1.00 0.36 C ATOM 271 CG ARG A 16 4.612 -10.056 -7.470 1.00 0.45 C ATOM 272 CD ARG A 16 3.873 -9.981 -6.145 1.00 0.38 C ATOM 273 NE ARG A 16 4.387 -10.935 -5.162 1.00 0.32 N ATOM 274 CZ ARG A 16 4.371 -10.735 -3.844 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.033 -9.546 -3.356 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.721 -11.713 -3.016 1.00 0.51 N ATOM 0 H ARG A 16 5.525 -7.908 -9.302 1.00 0.32 H new ATOM 0 HA ARG A 16 5.165 -7.609 -6.505 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.552 -9.657 -8.270 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.512 -9.814 -6.525 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.022 -9.567 -8.245 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.726 -11.099 -7.766 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.955 -8.971 -5.744 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.813 -10.172 -6.312 1.00 0.38 H new ATOM 0 HE ARG A 16 4.783 -11.809 -5.507 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.786 -8.786 -3.990 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.021 -9.393 -2.348 1.00 0.49 H new ATOM 0 HH21 ARG A 16 5.003 -12.620 -3.388 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.708 -11.557 -2.008 1.00 0.51 H new ATOM 290 N ASP A 17 8.059 -6.850 -7.707 1.00 0.37 N ATOM 291 CA ASP A 17 9.396 -6.381 -7.394 1.00 0.42 C ATOM 292 C ASP A 17 9.462 -4.863 -7.509 1.00 0.36 C ATOM 293 O ASP A 17 9.847 -4.322 -8.547 1.00 0.46 O ATOM 294 CB ASP A 17 10.420 -7.028 -8.333 1.00 0.60 C ATOM 295 CG ASP A 17 11.785 -7.191 -7.692 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.502 -6.188 -7.527 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.142 -8.340 -7.350 1.00 1.94 O ATOM 0 H ASP A 17 7.796 -6.757 -8.688 1.00 0.37 H new ATOM 0 HA ASP A 17 9.634 -6.665 -6.369 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.052 -8.005 -8.647 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.516 -6.420 -9.232 1.00 0.60 H new ATOM 302 N VAL A 18 9.021 -4.177 -6.462 1.00 0.31 N ATOM 303 CA VAL A 18 9.110 -2.726 -6.418 1.00 0.29 C ATOM 304 C VAL A 18 10.509 -2.299 -5.975 1.00 0.29 C ATOM 305 O VAL A 18 10.979 -2.696 -4.908 1.00 0.35 O ATOM 306 CB VAL A 18 8.034 -2.091 -5.495 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.905 -2.819 -4.168 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.345 -0.628 -5.247 1.00 0.58 C ATOM 0 H VAL A 18 8.600 -4.602 -5.636 1.00 0.31 H new ATOM 0 HA VAL A 18 8.919 -2.360 -7.427 1.00 0.29 H new ATOM 0 HB VAL A 18 7.080 -2.181 -6.015 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.140 -2.335 -3.561 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.623 -3.856 -4.348 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.859 -2.788 -3.642 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.581 -0.199 -4.599 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.320 -0.539 -4.768 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.358 -0.093 -6.196 1.00 0.58 H new ATOM 318 N ASP A 19 11.185 -1.508 -6.806 1.00 0.34 N ATOM 319 CA ASP A 19 12.540 -1.067 -6.491 1.00 0.41 C ATOM 320 C ASP A 19 12.520 0.034 -5.438 1.00 0.39 C ATOM 321 O ASP A 19 12.480 1.226 -5.755 1.00 0.46 O ATOM 322 CB ASP A 19 13.283 -0.592 -7.742 1.00 0.58 C ATOM 323 CG ASP A 19 14.724 -0.211 -7.448 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.567 -1.125 -7.314 1.00 1.28 O ATOM 325 OD2 ASP A 19 15.023 0.999 -7.365 1.00 1.91 O ATOM 0 H ASP A 19 10.820 -1.163 -7.694 1.00 0.34 H new ATOM 0 HA ASP A 19 13.076 -1.926 -6.089 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.264 -1.381 -8.494 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.762 0.266 -8.167 1.00 0.58 H new ATOM 330 N CYS A 20 12.504 -0.394 -4.184 1.00 0.38 N ATOM 331 CA CYS A 20 12.464 0.504 -3.039 1.00 0.40 C ATOM 332 C CYS A 20 13.558 1.569 -3.111 1.00 0.38 C ATOM 333 O CYS A 20 13.305 2.744 -2.853 1.00 0.39 O ATOM 334 CB CYS A 20 12.618 -0.304 -1.757 1.00 0.51 C ATOM 335 SG CYS A 20 11.751 -1.907 -1.780 1.00 0.93 S ATOM 0 H CYS A 20 12.519 -1.382 -3.931 1.00 0.38 H new ATOM 0 HA CYS A 20 11.502 1.017 -3.048 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.678 -0.479 -1.576 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.245 0.287 -0.921 1.00 0.51 H new ATOM 340 N ASP A 21 14.769 1.133 -3.451 1.00 0.47 N ATOM 341 CA ASP A 21 15.945 2.013 -3.537 1.00 0.59 C ATOM 342 C ASP A 21 15.644 3.346 -4.218 1.00 0.53 C ATOM 343 O ASP A 21 15.882 4.410 -3.644 1.00 0.64 O ATOM 344 CB ASP A 21 17.084 1.318 -4.289 1.00 0.85 C ATOM 345 CG ASP A 21 17.794 0.280 -3.446 1.00 1.36 C ATOM 346 OD1 ASP A 21 17.291 -0.854 -3.331 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.869 0.591 -2.897 1.00 1.66 O ATOM 0 H ASP A 21 14.969 0.158 -3.676 1.00 0.47 H new ATOM 0 HA ASP A 21 16.241 2.222 -2.509 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.685 0.842 -5.184 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.805 2.066 -4.620 1.00 0.85 H new ATOM 352 N ASN A 22 15.133 3.292 -5.436 1.00 0.50 N ATOM 353 CA ASN A 22 14.888 4.506 -6.210 1.00 0.49 C ATOM 354 C ASN A 22 13.527 5.096 -5.898 1.00 0.42 C ATOM 355 O ASN A 22 13.396 6.295 -5.653 1.00 0.43 O ATOM 356 CB ASN A 22 14.982 4.197 -7.700 1.00 0.59 C ATOM 357 CG ASN A 22 14.825 5.425 -8.577 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.153 6.543 -8.178 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.323 5.222 -9.786 1.00 1.14 N ATOM 0 H ASN A 22 14.879 2.427 -5.912 1.00 0.50 H new ATOM 0 HA ASN A 22 15.647 5.238 -5.936 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.945 3.731 -7.908 1.00 0.59 H new ATOM 0 HB3 ASN A 22 14.213 3.470 -7.963 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.196 6.008 -10.424 1.00 1.14 H new ATOM 0 HD22 ASN A 22 14.064 4.280 -10.079 1.00 1.14 H new ATOM 366 N ILE A 23 12.519 4.248 -5.908 1.00 0.40 N ATOM 367 CA ILE A 23 11.146 4.690 -5.711 1.00 0.38 C ATOM 368 C ILE A 23 10.961 5.411 -4.372 1.00 0.33 C ATOM 369 O ILE A 23 10.319 6.460 -4.315 1.00 0.34 O ATOM 370 CB ILE A 23 10.153 3.509 -5.831 1.00 0.39 C ATOM 371 CG1 ILE A 23 10.183 2.959 -7.262 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.739 3.942 -5.450 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.249 1.794 -7.497 1.00 0.48 C ATOM 0 H ILE A 23 12.622 3.243 -6.051 1.00 0.40 H new ATOM 0 HA ILE A 23 10.929 5.405 -6.504 1.00 0.38 H new ATOM 0 HB ILE A 23 10.455 2.723 -5.139 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.926 3.762 -7.953 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.201 2.648 -7.499 1.00 0.45 H new ATOM 0 HG21 ILE A 23 8.061 3.093 -5.543 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.733 4.300 -4.421 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.412 4.742 -6.114 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.331 1.465 -8.533 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.518 0.972 -6.833 1.00 0.48 H new ATOM 0 HD13 ILE A 23 8.224 2.103 -7.295 1.00 0.48 H new ATOM 385 N LEU A 24 11.559 4.890 -3.308 1.00 0.30 N ATOM 386 CA LEU A 24 11.321 5.441 -1.976 1.00 0.29 C ATOM 387 C LEU A 24 12.187 6.663 -1.691 1.00 0.32 C ATOM 388 O LEU A 24 11.948 7.378 -0.715 1.00 0.33 O ATOM 389 CB LEU A 24 11.559 4.395 -0.887 1.00 0.31 C ATOM 390 CG LEU A 24 10.777 3.092 -1.030 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.948 2.240 0.203 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.308 3.347 -1.268 1.00 1.01 C ATOM 0 H LEU A 24 12.203 4.099 -3.337 1.00 0.30 H new ATOM 0 HA LEU A 24 10.275 5.748 -1.961 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.622 4.157 -0.865 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.312 4.840 0.077 1.00 0.31 H new ATOM 0 HG LEU A 24 11.176 2.565 -1.897 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.385 1.314 0.087 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.004 2.007 0.341 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.579 2.782 1.074 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.785 2.396 -1.365 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.895 3.905 -0.428 1.00 1.01 H new ATOM 0 HD23 LEU A 24 9.183 3.925 -2.184 1.00 1.01 H new ATOM 404 N SER A 25 13.178 6.914 -2.533 1.00 0.36 N ATOM 405 CA SER A 25 14.076 8.037 -2.307 1.00 0.41 C ATOM 406 C SER A 25 13.556 9.293 -2.995 1.00 0.42 C ATOM 407 O SER A 25 14.215 10.335 -3.002 1.00 0.49 O ATOM 408 CB SER A 25 15.497 7.697 -2.763 1.00 0.50 C ATOM 409 OG SER A 25 15.496 7.066 -4.029 1.00 1.28 O ATOM 0 H SER A 25 13.380 6.364 -3.368 1.00 0.36 H new ATOM 0 HA SER A 25 14.111 8.237 -1.236 1.00 0.41 H new ATOM 0 HB2 SER A 25 16.094 8.608 -2.809 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.970 7.044 -2.030 1.00 0.50 H new ATOM 0 HG SER A 25 15.491 6.093 -3.910 1.00 1.28 H new ATOM 415 N THR A 26 12.359 9.191 -3.560 1.00 0.41 N ATOM 416 CA THR A 26 11.685 10.344 -4.126 1.00 0.46 C ATOM 417 C THR A 26 11.057 11.167 -3.006 1.00 0.45 C ATOM 418 O THR A 26 11.014 10.724 -1.859 1.00 0.45 O ATOM 419 CB THR A 26 10.590 9.923 -5.126 1.00 0.49 C ATOM 420 OG1 THR A 26 9.639 9.060 -4.484 1.00 0.44 O ATOM 421 CG2 THR A 26 11.199 9.218 -6.328 1.00 0.56 C ATOM 0 H THR A 26 11.837 8.318 -3.636 1.00 0.41 H new ATOM 0 HA THR A 26 12.425 10.939 -4.662 1.00 0.46 H new ATOM 0 HB THR A 26 10.081 10.822 -5.473 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.904 8.126 -4.616 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.408 8.930 -7.020 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.894 9.891 -6.831 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.732 8.327 -5.996 1.00 0.56 H new ATOM 429 N ASN A 27 10.548 12.348 -3.333 1.00 0.49 N ATOM 430 CA ASN A 27 9.944 13.227 -2.331 1.00 0.52 C ATOM 431 C ASN A 27 8.599 12.665 -1.872 1.00 0.52 C ATOM 432 O ASN A 27 8.035 13.089 -0.860 1.00 0.67 O ATOM 433 CB ASN A 27 9.768 14.637 -2.906 1.00 0.61 C ATOM 434 CG ASN A 27 9.277 15.636 -1.877 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.566 15.515 -0.687 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.531 16.629 -2.327 1.00 1.53 N ATOM 0 H ASN A 27 10.540 12.722 -4.282 1.00 0.49 H new ATOM 0 HA ASN A 27 10.606 13.282 -1.467 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.720 14.980 -3.313 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.062 14.600 -3.735 1.00 0.61 H new ATOM 0 HD21 ASN A 27 8.172 17.331 -1.680 1.00 1.53 H new ATOM 0 HD22 ASN A 27 8.314 16.694 -3.322 1.00 1.53 H new ATOM 443 N LEU A 28 8.112 11.679 -2.615 1.00 0.48 N ATOM 444 CA LEU A 28 6.829 11.047 -2.331 1.00 0.47 C ATOM 445 C LEU A 28 6.921 10.185 -1.072 1.00 0.45 C ATOM 446 O LEU A 28 5.935 9.996 -0.358 1.00 0.52 O ATOM 447 CB LEU A 28 6.399 10.194 -3.532 1.00 0.47 C ATOM 448 CG LEU A 28 5.008 9.560 -3.440 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.928 10.631 -3.433 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.793 8.591 -4.592 1.00 0.51 C ATOM 0 H LEU A 28 8.593 11.296 -3.429 1.00 0.48 H new ATOM 0 HA LEU A 28 6.083 11.823 -2.157 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.435 10.816 -4.426 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.131 9.398 -3.668 1.00 0.47 H new ATOM 0 HG LEU A 28 4.943 9.006 -2.504 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.948 10.159 -3.367 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.073 11.288 -2.575 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.989 11.215 -4.352 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.800 8.148 -4.514 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.878 9.126 -5.538 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.546 7.804 -4.551 1.00 0.51 H new ATOM 462 N PHE A 29 8.114 9.667 -0.802 1.00 0.42 N ATOM 463 CA PHE A 29 8.335 8.832 0.372 1.00 0.40 C ATOM 464 C PHE A 29 9.404 9.441 1.271 1.00 0.42 C ATOM 465 O PHE A 29 9.313 9.366 2.499 1.00 0.48 O ATOM 466 CB PHE A 29 8.751 7.417 -0.039 1.00 0.36 C ATOM 467 CG PHE A 29 7.766 6.727 -0.936 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.636 6.121 -0.412 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.968 6.686 -2.305 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.729 5.487 -1.237 1.00 0.44 C ATOM 471 CE2 PHE A 29 7.066 6.054 -3.134 1.00 0.39 C ATOM 472 CZ PHE A 29 5.944 5.454 -2.601 1.00 0.42 C ATOM 0 H PHE A 29 8.942 9.811 -1.380 1.00 0.42 H new ATOM 0 HA PHE A 29 7.397 8.777 0.924 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.715 7.465 -0.545 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.892 6.816 0.859 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.463 6.145 0.654 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.844 7.155 -2.729 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.852 5.017 -0.816 1.00 0.44 H new ATOM 0 HE2 PHE A 29 7.238 6.029 -4.200 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.235 4.960 -3.249 1.00 0.42 H new ATOM 482 N HIS A 30 10.427 10.021 0.640 1.00 0.43 N ATOM 483 CA HIS A 30 11.524 10.697 1.336 1.00 0.52 C ATOM 484 C HIS A 30 12.261 9.732 2.269 1.00 0.45 C ATOM 485 O HIS A 30 12.838 10.138 3.275 1.00 0.48 O ATOM 486 CB HIS A 30 10.997 11.912 2.109 1.00 0.70 C ATOM 487 CG HIS A 30 12.045 12.951 2.368 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.382 13.391 3.627 1.00 1.78 N ATOM 489 CD2 HIS A 30 12.827 13.640 1.509 1.00 2.07 C ATOM 490 CE1 HIS A 30 13.329 14.308 3.530 1.00 2.74 C ATOM 491 NE2 HIS A 30 13.620 14.478 2.254 1.00 2.97 N ATOM 0 H HIS A 30 10.518 10.035 -0.376 1.00 0.43 H new ATOM 0 HA HIS A 30 12.238 11.047 0.591 1.00 0.52 H new ATOM 0 HB2 HIS A 30 10.179 12.364 1.548 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.584 11.577 3.061 1.00 0.70 H new ATOM 0 HD2 HIS A 30 12.828 13.549 0.433 1.00 2.07 H new ATOM 0 HE1 HIS A 30 13.788 14.831 4.356 1.00 2.74 H new ATOM 0 HE2 HIS A 30 14.317 15.124 1.883 1.00 2.97 H new ATOM 500 N CYS A 31 12.260 8.459 1.890 1.00 0.44 N ATOM 501 CA CYS A 31 12.883 7.390 2.668 1.00 0.45 C ATOM 502 C CYS A 31 12.472 7.395 4.145 1.00 0.40 C ATOM 503 O CYS A 31 13.278 7.661 5.036 1.00 0.47 O ATOM 504 CB CYS A 31 14.410 7.400 2.503 1.00 0.62 C ATOM 505 SG CYS A 31 14.968 6.594 0.961 1.00 1.10 S ATOM 0 H CYS A 31 11.823 8.135 1.027 1.00 0.44 H new ATOM 0 HA CYS A 31 12.504 6.453 2.259 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.764 8.431 2.516 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.865 6.895 3.355 1.00 0.62 H new ATOM 510 N LYS A 32 11.190 7.124 4.382 1.00 0.39 N ATOM 511 CA LYS A 32 10.684 6.827 5.717 1.00 0.43 C ATOM 512 C LYS A 32 11.068 5.403 6.126 1.00 0.45 C ATOM 513 O LYS A 32 11.645 4.666 5.328 1.00 0.55 O ATOM 514 CB LYS A 32 9.161 7.014 5.766 1.00 0.50 C ATOM 515 CG LYS A 32 8.341 5.938 5.048 1.00 0.53 C ATOM 516 CD LYS A 32 8.267 6.123 3.533 1.00 0.90 C ATOM 517 CE LYS A 32 9.396 5.408 2.804 1.00 2.05 C ATOM 518 NZ LYS A 32 9.597 4.025 3.303 1.00 2.72 N ATOM 0 H LYS A 32 10.475 7.105 3.654 1.00 0.39 H new ATOM 0 HA LYS A 32 11.137 7.522 6.425 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.850 7.047 6.810 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.917 7.983 5.330 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.774 4.961 5.264 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.329 5.935 5.454 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.310 5.748 3.171 1.00 0.90 H new ATOM 0 HD3 LYS A 32 8.303 7.187 3.298 1.00 0.90 H new ATOM 0 HE2 LYS A 32 9.176 5.379 1.737 1.00 2.05 H new ATOM 0 HE3 LYS A 32 10.320 5.974 2.924 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 10.518 3.959 3.781 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 8.840 3.785 3.975 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.573 3.361 2.503 1.00 2.72 H new ATOM 532 N ASP A 33 10.725 5.014 7.349 1.00 0.49 N ATOM 533 CA ASP A 33 11.115 3.707 7.895 1.00 0.54 C ATOM 534 C ASP A 33 10.732 2.555 6.958 1.00 0.48 C ATOM 535 O ASP A 33 11.579 1.734 6.605 1.00 0.51 O ATOM 536 CB ASP A 33 10.484 3.507 9.277 1.00 0.66 C ATOM 537 CG ASP A 33 10.859 2.183 9.915 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.037 1.787 9.846 1.00 1.57 O ATOM 539 OD2 ASP A 33 9.979 1.539 10.520 1.00 2.06 O ATOM 0 H ASP A 33 10.174 5.585 7.990 1.00 0.49 H new ATOM 0 HA ASP A 33 12.201 3.698 7.990 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.794 4.321 9.933 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.399 3.566 9.187 1.00 0.66 H new ATOM 544 N LYS A 34 9.475 2.504 6.533 1.00 0.44 N ATOM 545 CA LYS A 34 9.041 1.459 5.604 1.00 0.41 C ATOM 546 C LYS A 34 7.850 1.911 4.771 1.00 0.38 C ATOM 547 O LYS A 34 7.359 3.025 4.925 1.00 0.43 O ATOM 548 CB LYS A 34 8.697 0.153 6.333 1.00 0.48 C ATOM 549 CG LYS A 34 7.497 0.234 7.264 1.00 0.95 C ATOM 550 CD LYS A 34 7.927 0.175 8.717 1.00 1.27 C ATOM 551 CE LYS A 34 8.792 -1.048 8.984 1.00 1.96 C ATOM 552 NZ LYS A 34 9.343 -1.046 10.361 1.00 2.60 N ATOM 0 H LYS A 34 8.746 3.161 6.810 1.00 0.44 H new ATOM 0 HA LYS A 34 9.883 1.270 4.938 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.510 -0.622 5.590 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.566 -0.163 6.911 1.00 0.48 H new ATOM 0 HG2 LYS A 34 6.952 1.160 7.080 1.00 0.95 H new ATOM 0 HG3 LYS A 34 6.812 -0.586 7.051 1.00 0.95 H new ATOM 0 HD2 LYS A 34 8.481 1.078 8.972 1.00 1.27 H new ATOM 0 HD3 LYS A 34 7.047 0.149 9.359 1.00 1.27 H new ATOM 0 HE2 LYS A 34 8.201 -1.951 8.831 1.00 1.96 H new ATOM 0 HE3 LYS A 34 9.611 -1.077 8.265 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 10.158 -1.690 10.410 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 9.646 -0.083 10.612 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 8.611 -1.363 11.028 1.00 2.60 H new ATOM 566 N ASN A 35 7.426 1.053 3.855 1.00 0.37 N ATOM 567 CA ASN A 35 6.272 1.324 3.010 1.00 0.36 C ATOM 568 C ASN A 35 5.759 0.026 2.405 1.00 0.34 C ATOM 569 O ASN A 35 6.462 -0.623 1.631 1.00 0.38 O ATOM 570 CB ASN A 35 6.627 2.300 1.886 1.00 0.36 C ATOM 571 CG ASN A 35 5.395 2.850 1.194 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.841 3.865 1.609 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.962 2.187 0.139 1.00 0.35 N ATOM 0 H ASN A 35 7.870 0.152 3.677 1.00 0.37 H new ATOM 0 HA ASN A 35 5.498 1.776 3.631 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.211 3.125 2.294 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.257 1.795 1.154 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.138 2.513 -0.365 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.452 1.348 -0.173 1.00 0.35 H new ATOM 580 N THR A 36 4.546 -0.352 2.763 1.00 0.32 N ATOM 581 CA THR A 36 3.949 -1.573 2.248 1.00 0.30 C ATOM 582 C THR A 36 3.219 -1.309 0.930 1.00 0.26 C ATOM 583 O THR A 36 2.231 -0.568 0.891 1.00 0.28 O ATOM 584 CB THR A 36 2.960 -2.165 3.269 1.00 0.36 C ATOM 585 OG1 THR A 36 3.534 -2.120 4.584 1.00 0.45 O ATOM 586 CG2 THR A 36 2.610 -3.606 2.917 1.00 0.37 C ATOM 0 H THR A 36 3.953 0.169 3.409 1.00 0.32 H new ATOM 0 HA THR A 36 4.754 -2.286 2.071 1.00 0.30 H new ATOM 0 HB THR A 36 2.047 -1.570 3.244 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.452 -2.461 4.552 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.910 -4.001 3.654 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.153 -3.638 1.928 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.517 -4.211 2.917 1.00 0.37 H new ATOM 594 N PHE A 37 3.721 -1.896 -0.147 1.00 0.21 N ATOM 595 CA PHE A 37 3.067 -1.798 -1.443 1.00 0.18 C ATOM 596 C PHE A 37 2.160 -2.999 -1.660 1.00 0.18 C ATOM 597 O PHE A 37 2.420 -4.093 -1.152 1.00 0.21 O ATOM 598 CB PHE A 37 4.085 -1.737 -2.585 1.00 0.17 C ATOM 599 CG PHE A 37 5.006 -0.553 -2.553 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.167 -0.591 -1.800 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.730 0.586 -3.298 1.00 0.19 C ATOM 602 CE1 PHE A 37 7.035 0.477 -1.792 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.595 1.658 -3.285 1.00 0.20 C ATOM 604 CZ PHE A 37 6.748 1.600 -2.537 1.00 0.20 C ATOM 0 H PHE A 37 4.580 -2.446 -0.148 1.00 0.21 H new ATOM 0 HA PHE A 37 2.484 -0.877 -1.445 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.686 -2.646 -2.564 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.546 -1.733 -3.532 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.394 -1.468 -1.212 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.830 0.632 -3.893 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.939 0.435 -1.203 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.368 2.543 -3.861 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.430 2.437 -2.534 1.00 0.20 H new ATOM 614 N ILE A 38 1.107 -2.785 -2.417 1.00 0.18 N ATOM 615 CA ILE A 38 0.149 -3.823 -2.731 1.00 0.17 C ATOM 616 C ILE A 38 0.245 -4.177 -4.207 1.00 0.17 C ATOM 617 O ILE A 38 0.042 -3.319 -5.066 1.00 0.18 O ATOM 618 CB ILE A 38 -1.284 -3.345 -2.416 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.361 -2.831 -0.975 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.286 -4.473 -2.639 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.606 -2.028 -0.677 1.00 0.22 C ATOM 0 H ILE A 38 0.889 -1.880 -2.835 1.00 0.18 H new ATOM 0 HA ILE A 38 0.374 -4.700 -2.124 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.537 -2.528 -3.092 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.317 -3.681 -0.294 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.485 -2.214 -0.772 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.291 -4.117 -2.412 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.242 -4.798 -3.678 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.042 -5.311 -1.986 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.587 -1.700 0.362 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.643 -1.158 -1.332 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.487 -2.647 -0.846 1.00 0.22 H new ATOM 633 N TYR A 39 0.587 -5.423 -4.498 1.00 0.16 N ATOM 634 CA TYR A 39 0.608 -5.894 -5.871 1.00 0.17 C ATOM 635 C TYR A 39 -0.804 -6.237 -6.309 1.00 0.18 C ATOM 636 O TYR A 39 -1.295 -7.345 -6.081 1.00 0.18 O ATOM 637 CB TYR A 39 1.527 -7.107 -6.034 1.00 0.20 C ATOM 638 CG TYR A 39 1.461 -7.734 -7.411 1.00 0.23 C ATOM 639 CD1 TYR A 39 1.988 -7.084 -8.518 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.869 -8.976 -7.601 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.925 -7.652 -9.775 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.802 -9.549 -8.854 1.00 0.34 C ATOM 643 CZ TYR A 39 1.333 -8.885 -9.937 1.00 0.35 C ATOM 644 OH TYR A 39 1.276 -9.458 -11.187 1.00 0.40 O ATOM 0 H TYR A 39 0.852 -6.122 -3.804 1.00 0.16 H new ATOM 0 HA TYR A 39 1.003 -5.098 -6.502 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.554 -6.805 -5.830 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.261 -7.857 -5.289 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.455 -6.118 -8.394 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.454 -9.502 -6.754 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.338 -7.132 -10.627 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.335 -10.514 -8.985 1.00 0.34 H new ATOM 0 HH TYR A 39 0.828 -10.327 -11.128 1.00 0.40 H new ATOM 654 N SER A 40 -1.454 -5.254 -6.894 1.00 0.23 N ATOM 655 CA SER A 40 -2.801 -5.390 -7.396 1.00 0.26 C ATOM 656 C SER A 40 -3.193 -4.066 -8.023 1.00 0.29 C ATOM 657 O SER A 40 -2.618 -3.029 -7.686 1.00 0.50 O ATOM 658 CB SER A 40 -3.770 -5.758 -6.264 1.00 0.25 C ATOM 659 OG SER A 40 -5.025 -6.185 -6.770 1.00 0.93 O ATOM 0 H SER A 40 -1.055 -4.326 -7.035 1.00 0.23 H new ATOM 0 HA SER A 40 -2.848 -6.190 -8.135 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.334 -6.549 -5.654 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.914 -4.896 -5.612 1.00 0.25 H new ATOM 0 HG SER A 40 -5.618 -6.413 -6.024 1.00 0.93 H new ATOM 665 N ARG A 41 -4.142 -4.091 -8.936 1.00 0.25 N ATOM 666 CA ARG A 41 -4.568 -2.874 -9.593 1.00 0.27 C ATOM 667 C ARG A 41 -5.381 -2.022 -8.631 1.00 0.22 C ATOM 668 O ARG A 41 -5.950 -2.533 -7.664 1.00 0.23 O ATOM 669 CB ARG A 41 -5.392 -3.183 -10.838 1.00 0.33 C ATOM 670 CG ARG A 41 -4.729 -4.157 -11.790 1.00 0.54 C ATOM 671 CD ARG A 41 -5.169 -3.895 -13.212 1.00 1.08 C ATOM 672 NE ARG A 41 -4.185 -3.091 -13.938 1.00 1.30 N ATOM 673 CZ ARG A 41 -4.320 -1.795 -14.224 1.00 2.21 C ATOM 674 NH1 ARG A 41 -5.337 -1.091 -13.743 1.00 2.92 N ATOM 675 NH2 ARG A 41 -3.398 -1.191 -14.960 1.00 2.66 N ATOM 0 H ARG A 41 -4.630 -4.934 -9.238 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.679 -2.324 -9.901 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.356 -3.590 -10.532 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.593 -2.252 -11.368 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.645 -4.065 -11.716 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.982 -5.179 -11.508 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -5.318 -4.843 -13.728 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -6.130 -3.380 -13.208 1.00 1.08 H new ATOM 0 HE ARG A 41 -3.332 -3.556 -14.249 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -6.030 -1.540 -13.145 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -5.425 -0.101 -13.972 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -2.594 -1.717 -15.303 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -3.493 -0.200 -15.184 1.00 2.66 H new ATOM 689 N PRO A 42 -5.454 -0.714 -8.877 1.00 0.22 N ATOM 690 CA PRO A 42 -6.222 0.197 -8.032 1.00 0.21 C ATOM 691 C PRO A 42 -7.706 -0.157 -8.007 1.00 0.20 C ATOM 692 O PRO A 42 -8.381 0.076 -7.010 1.00 0.23 O ATOM 693 CB PRO A 42 -6.002 1.571 -8.674 1.00 0.24 C ATOM 694 CG PRO A 42 -5.535 1.286 -10.060 1.00 0.25 C ATOM 695 CD PRO A 42 -4.793 -0.015 -9.989 1.00 0.30 C ATOM 0 HA PRO A 42 -5.900 0.154 -6.991 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.923 2.154 -8.681 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.262 2.150 -8.121 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.377 1.217 -10.749 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.889 2.084 -10.425 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.871 -0.575 -10.921 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.731 0.136 -9.796 1.00 0.30 H new ATOM 703 N GLU A 43 -8.207 -0.756 -9.082 1.00 0.21 N ATOM 704 CA GLU A 43 -9.625 -1.064 -9.176 1.00 0.25 C ATOM 705 C GLU A 43 -10.043 -2.133 -8.153 1.00 0.23 C ATOM 706 O GLU A 43 -10.913 -1.880 -7.321 1.00 0.24 O ATOM 707 CB GLU A 43 -9.981 -1.510 -10.592 1.00 0.36 C ATOM 708 CG GLU A 43 -9.717 -0.457 -11.651 1.00 0.48 C ATOM 709 CD GLU A 43 -8.458 -0.739 -12.443 1.00 1.60 C ATOM 710 OE1 GLU A 43 -7.363 -0.750 -11.850 1.00 2.36 O ATOM 711 OE2 GLU A 43 -8.565 -0.974 -13.666 1.00 1.99 O ATOM 0 H GLU A 43 -7.655 -1.035 -9.893 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.177 -0.153 -8.944 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.410 -2.407 -10.835 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.035 -1.785 -10.622 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.568 -0.408 -12.331 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -9.633 0.520 -11.175 1.00 0.48 H new ATOM 718 N PRO A 44 -9.434 -3.335 -8.192 1.00 0.24 N ATOM 719 CA PRO A 44 -9.757 -4.424 -7.261 1.00 0.26 C ATOM 720 C PRO A 44 -9.441 -4.078 -5.804 1.00 0.24 C ATOM 721 O PRO A 44 -9.968 -4.701 -4.882 1.00 0.27 O ATOM 722 CB PRO A 44 -8.883 -5.589 -7.743 1.00 0.30 C ATOM 723 CG PRO A 44 -7.793 -4.956 -8.530 1.00 0.36 C ATOM 724 CD PRO A 44 -8.406 -3.743 -9.160 1.00 0.27 C ATOM 0 HA PRO A 44 -10.824 -4.647 -7.265 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.484 -6.156 -6.902 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.457 -6.286 -8.354 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.954 -4.684 -7.890 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.408 -5.639 -9.287 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.668 -2.956 -9.317 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.840 -3.972 -10.133 1.00 0.27 H new ATOM 732 N VAL A 45 -8.597 -3.074 -5.597 1.00 0.20 N ATOM 733 CA VAL A 45 -8.265 -2.632 -4.246 1.00 0.19 C ATOM 734 C VAL A 45 -9.265 -1.577 -3.783 1.00 0.17 C ATOM 735 O VAL A 45 -9.646 -1.526 -2.614 1.00 0.18 O ATOM 736 CB VAL A 45 -6.826 -2.069 -4.164 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.520 -1.544 -2.767 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.815 -3.136 -4.560 1.00 0.23 C ATOM 0 H VAL A 45 -8.132 -2.553 -6.341 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.319 -3.500 -3.589 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.751 -1.236 -4.863 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.502 -1.155 -2.739 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.220 -0.747 -2.516 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.618 -2.354 -2.044 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.808 -2.724 -4.497 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.902 -3.988 -3.885 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.011 -3.461 -5.582 1.00 0.23 H new ATOM 748 N LYS A 46 -9.715 -0.755 -4.716 1.00 0.15 N ATOM 749 CA LYS A 46 -10.738 0.238 -4.428 1.00 0.15 C ATOM 750 C LYS A 46 -12.087 -0.452 -4.236 1.00 0.17 C ATOM 751 O LYS A 46 -12.955 0.037 -3.511 1.00 0.20 O ATOM 752 CB LYS A 46 -10.816 1.256 -5.568 1.00 0.17 C ATOM 753 CG LYS A 46 -11.687 2.461 -5.266 1.00 0.20 C ATOM 754 CD LYS A 46 -11.653 3.457 -6.407 1.00 0.27 C ATOM 755 CE LYS A 46 -12.630 4.593 -6.180 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.021 4.098 -6.001 1.00 1.36 N ATOM 0 H LYS A 46 -9.387 -0.755 -5.682 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.479 0.765 -3.510 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.809 1.599 -5.803 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.199 0.759 -6.459 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.713 2.138 -5.092 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.344 2.941 -4.349 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.645 3.858 -6.512 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -11.893 2.950 -7.342 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.330 5.160 -5.299 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.594 5.278 -7.027 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.693 4.840 -6.283 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.168 3.255 -6.592 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.176 3.852 -5.002 1.00 1.36 H new ATOM 770 N ALA A 47 -12.238 -1.608 -4.879 1.00 0.18 N ATOM 771 CA ALA A 47 -13.459 -2.400 -4.783 1.00 0.22 C ATOM 772 C ALA A 47 -13.645 -2.964 -3.379 1.00 0.22 C ATOM 773 O ALA A 47 -14.751 -3.348 -2.996 1.00 0.27 O ATOM 774 CB ALA A 47 -13.442 -3.525 -5.806 1.00 0.26 C ATOM 0 H ALA A 47 -11.521 -2.019 -5.477 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.302 -1.742 -4.995 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.360 -4.107 -5.722 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.370 -3.104 -6.809 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.584 -4.172 -5.622 1.00 0.26 H new ATOM 780 N ILE A 48 -12.562 -3.014 -2.615 1.00 0.20 N ATOM 781 CA ILE A 48 -12.628 -3.449 -1.226 1.00 0.21 C ATOM 782 C ILE A 48 -13.473 -2.464 -0.422 1.00 0.21 C ATOM 783 O ILE A 48 -14.150 -2.831 0.539 1.00 0.23 O ATOM 784 CB ILE A 48 -11.219 -3.552 -0.602 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.334 -4.460 -1.463 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.297 -4.078 0.829 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.886 -4.475 -1.037 1.00 0.21 C ATOM 0 H ILE A 48 -11.627 -2.759 -2.933 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.084 -4.439 -1.200 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.777 -2.556 -0.569 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.726 -5.477 -1.425 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.395 -4.134 -2.501 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.293 -4.142 1.248 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.900 -3.400 1.433 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.754 -5.068 0.828 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.321 -5.139 -1.692 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.477 -3.467 -1.102 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.813 -4.830 -0.009 1.00 0.21 H new ATOM 799 N CYS A 49 -13.450 -1.212 -0.858 1.00 0.20 N ATOM 800 CA CYS A 49 -14.177 -0.151 -0.190 1.00 0.21 C ATOM 801 C CYS A 49 -15.473 0.179 -0.922 1.00 0.25 C ATOM 802 O CYS A 49 -16.111 1.198 -0.652 1.00 0.25 O ATOM 803 CB CYS A 49 -13.277 1.075 -0.096 1.00 0.19 C ATOM 804 SG CYS A 49 -11.809 0.791 0.934 1.00 0.18 S ATOM 0 H CYS A 49 -12.929 -0.908 -1.680 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.453 -0.480 0.812 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.962 1.367 -1.098 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.847 1.909 0.314 1.00 0.19 H new ATOM 809 N LYS A 50 -15.863 -0.694 -1.844 1.00 0.32 N ATOM 810 CA LYS A 50 -17.086 -0.504 -2.611 1.00 0.40 C ATOM 811 C LYS A 50 -18.306 -0.486 -1.697 1.00 0.39 C ATOM 812 O LYS A 50 -18.625 -1.480 -1.047 1.00 0.47 O ATOM 813 CB LYS A 50 -17.243 -1.598 -3.669 1.00 0.54 C ATOM 814 CG LYS A 50 -18.498 -1.444 -4.513 1.00 0.68 C ATOM 815 CD LYS A 50 -18.631 -2.552 -5.542 1.00 0.92 C ATOM 816 CE LYS A 50 -18.736 -3.921 -4.890 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.092 -4.975 -5.875 1.00 2.33 N ATOM 0 H LYS A 50 -15.347 -1.542 -2.078 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.013 0.460 -3.114 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.371 -1.589 -4.323 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.262 -2.570 -3.176 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.374 -1.445 -3.864 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.478 -0.479 -5.020 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.514 -2.373 -6.156 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.770 -2.533 -6.210 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.787 -4.172 -4.416 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -19.488 -3.891 -4.101 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.154 -5.894 -5.393 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -20.010 -4.749 -6.309 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.362 -5.021 -6.614 1.00 2.33 H new ATOM 831 N GLY A 51 -18.976 0.653 -1.653 1.00 0.36 N ATOM 832 CA GLY A 51 -20.175 0.776 -0.857 1.00 0.38 C ATOM 833 C GLY A 51 -19.916 1.403 0.497 1.00 0.37 C ATOM 834 O GLY A 51 -20.845 1.628 1.267 1.00 0.44 O ATOM 0 H GLY A 51 -18.709 1.498 -2.157 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.905 1.378 -1.398 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.616 -0.211 -0.717 1.00 0.38 H new ATOM 838 N ILE A 52 -18.657 1.690 0.795 1.00 0.31 N ATOM 839 CA ILE A 52 -18.310 2.280 2.078 1.00 0.29 C ATOM 840 C ILE A 52 -18.085 3.779 1.920 1.00 0.29 C ATOM 841 O ILE A 52 -16.994 4.223 1.562 1.00 0.27 O ATOM 842 CB ILE A 52 -17.042 1.636 2.682 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.095 0.108 2.558 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.889 2.046 4.140 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.291 -0.531 3.229 1.00 0.33 C ATOM 0 H ILE A 52 -17.866 1.526 0.172 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.143 2.096 2.757 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.176 1.992 2.124 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.101 -0.159 1.501 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.185 -0.311 2.988 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.992 1.586 4.555 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.804 3.131 4.206 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.761 1.715 4.704 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.250 -1.612 3.093 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.278 -0.298 4.294 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.208 -0.144 2.784 1.00 0.33 H new ATOM 857 N ILE A 53 -19.132 4.550 2.161 1.00 0.33 N ATOM 858 CA ILE A 53 -19.077 5.990 2.012 1.00 0.35 C ATOM 859 C ILE A 53 -18.488 6.639 3.259 1.00 0.34 C ATOM 860 O ILE A 53 -17.597 7.489 3.168 1.00 0.35 O ATOM 861 CB ILE A 53 -20.480 6.567 1.720 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.908 6.270 0.275 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.518 8.067 1.976 1.00 0.42 C ATOM 864 CD1 ILE A 53 -21.008 4.800 -0.078 1.00 0.55 C ATOM 0 H ILE A 53 -20.039 4.195 2.464 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.429 6.215 1.165 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.182 6.081 2.398 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.877 6.737 0.096 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.197 6.743 -0.402 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.517 8.447 1.763 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.270 8.265 3.019 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.795 8.565 1.330 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.316 4.696 -1.118 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.037 4.325 0.062 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.743 4.320 0.568 1.00 0.55 H new ATOM 876 N ALA A 54 -18.983 6.233 4.420 1.00 0.37 N ATOM 877 CA ALA A 54 -18.479 6.746 5.686 1.00 0.38 C ATOM 878 C ALA A 54 -17.096 6.187 5.973 1.00 0.33 C ATOM 879 O ALA A 54 -16.840 5.013 5.714 1.00 0.32 O ATOM 880 CB ALA A 54 -19.428 6.391 6.818 1.00 0.46 C ATOM 0 H ALA A 54 -19.734 5.549 4.511 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.410 7.831 5.613 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.036 6.782 7.757 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.407 6.829 6.623 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.522 5.307 6.887 1.00 0.46 H new ATOM 886 N SER A 55 -16.208 7.043 6.478 1.00 0.34 N ATOM 887 CA SER A 55 -14.859 6.634 6.858 1.00 0.34 C ATOM 888 C SER A 55 -14.907 5.418 7.786 1.00 0.32 C ATOM 889 O SER A 55 -15.266 5.530 8.959 1.00 0.36 O ATOM 890 CB SER A 55 -14.133 7.797 7.540 1.00 0.41 C ATOM 891 OG SER A 55 -12.840 7.996 6.986 1.00 1.42 O ATOM 0 H SER A 55 -16.403 8.032 6.634 1.00 0.34 H new ATOM 0 HA SER A 55 -14.312 6.355 5.958 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.721 8.708 7.432 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.046 7.598 8.608 1.00 0.41 H new ATOM 0 HG SER A 55 -12.907 8.575 6.198 1.00 1.42 H new ATOM 897 N LYS A 56 -14.572 4.257 7.243 1.00 0.30 N ATOM 898 CA LYS A 56 -14.635 3.012 7.990 1.00 0.31 C ATOM 899 C LYS A 56 -13.444 2.127 7.653 1.00 0.29 C ATOM 900 O LYS A 56 -13.182 1.844 6.485 1.00 0.27 O ATOM 901 CB LYS A 56 -15.941 2.276 7.669 1.00 0.34 C ATOM 902 CG LYS A 56 -16.101 0.947 8.393 1.00 0.40 C ATOM 903 CD LYS A 56 -17.279 0.153 7.844 1.00 0.51 C ATOM 904 CE LYS A 56 -17.419 -1.190 8.541 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.489 -2.027 7.936 1.00 1.71 N ATOM 0 H LYS A 56 -14.252 4.152 6.280 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.606 3.243 9.055 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.781 2.921 7.926 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.991 2.100 6.594 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.187 0.363 8.290 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.246 1.127 9.458 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.197 0.727 7.971 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.146 -0.004 6.774 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -16.470 -1.724 8.491 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.639 -1.029 9.596 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.549 -2.933 8.443 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.400 -1.530 8.006 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.267 -2.204 6.935 1.00 1.71 H new ATOM 919 N ASN A 57 -12.726 1.699 8.676 1.00 0.36 N ATOM 920 CA ASN A 57 -11.611 0.782 8.496 1.00 0.37 C ATOM 921 C ASN A 57 -12.115 -0.640 8.312 1.00 0.33 C ATOM 922 O ASN A 57 -12.789 -1.194 9.183 1.00 0.41 O ATOM 923 CB ASN A 57 -10.625 0.849 9.668 1.00 0.50 C ATOM 924 CG ASN A 57 -11.277 0.784 11.038 1.00 0.80 C ATOM 925 OD1 ASN A 57 -12.382 1.288 11.258 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.591 0.160 11.972 1.00 1.13 N ATOM 0 H ASN A 57 -12.895 1.972 9.644 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.078 1.089 7.596 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -9.915 0.027 9.577 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.053 1.774 9.594 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -10.970 0.080 12.916 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.681 -0.244 11.752 1.00 1.13 H new ATOM 933 N VAL A 58 -11.807 -1.220 7.164 1.00 0.28 N ATOM 934 CA VAL A 58 -12.253 -2.566 6.857 1.00 0.27 C ATOM 935 C VAL A 58 -11.063 -3.482 6.574 1.00 0.25 C ATOM 936 O VAL A 58 -10.083 -3.075 5.951 1.00 0.25 O ATOM 937 CB VAL A 58 -13.225 -2.590 5.653 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.381 -1.625 5.863 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.501 -2.284 4.353 1.00 0.57 C ATOM 0 H VAL A 58 -11.251 -0.780 6.431 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.787 -2.931 7.734 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.633 -3.598 5.582 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.048 -1.663 5.002 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.932 -1.907 6.761 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.994 -0.613 5.978 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.211 -2.309 3.527 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.048 -1.294 4.413 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.723 -3.029 4.185 1.00 0.57 H new ATOM 949 N LEU A 59 -11.152 -4.709 7.053 1.00 0.28 N ATOM 950 CA LEU A 59 -10.129 -5.708 6.817 1.00 0.26 C ATOM 951 C LEU A 59 -10.555 -6.562 5.623 1.00 0.26 C ATOM 952 O LEU A 59 -11.738 -6.882 5.475 1.00 0.30 O ATOM 953 CB LEU A 59 -9.950 -6.539 8.099 1.00 0.30 C ATOM 954 CG LEU A 59 -8.759 -7.502 8.157 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.080 -8.817 7.480 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.525 -6.873 7.539 1.00 0.67 C ATOM 0 H LEU A 59 -11.935 -5.040 7.616 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.167 -5.254 6.579 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.866 -5.849 8.938 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.860 -7.119 8.254 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.552 -7.707 9.207 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.215 -9.477 7.539 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.928 -9.285 7.979 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.328 -8.637 6.434 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.693 -7.575 7.592 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.726 -6.626 6.496 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.268 -5.965 8.084 1.00 0.67 H new ATOM 968 N THR A 60 -9.608 -6.897 4.758 1.00 0.22 N ATOM 969 CA THR A 60 -9.923 -7.581 3.511 1.00 0.22 C ATOM 970 C THR A 60 -10.361 -9.023 3.739 1.00 0.24 C ATOM 971 O THR A 60 -9.964 -9.670 4.707 1.00 0.33 O ATOM 972 CB THR A 60 -8.729 -7.548 2.538 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.551 -8.045 3.181 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.479 -6.135 2.044 1.00 0.24 C ATOM 0 H THR A 60 -8.616 -6.707 4.896 1.00 0.22 H new ATOM 0 HA THR A 60 -10.759 -7.041 3.067 1.00 0.22 H new ATOM 0 HB THR A 60 -8.969 -8.183 1.685 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.345 -8.940 2.840 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.632 -6.134 1.358 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.365 -5.768 1.526 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.260 -5.486 2.892 1.00 0.24 H new ATOM 982 N THR A 61 -11.185 -9.515 2.832 1.00 0.27 N ATOM 983 CA THR A 61 -11.748 -10.850 2.931 1.00 0.33 C ATOM 984 C THR A 61 -10.729 -11.921 2.549 1.00 0.33 C ATOM 985 O THR A 61 -10.893 -13.101 2.856 1.00 0.43 O ATOM 986 CB THR A 61 -12.977 -10.953 2.020 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.682 -10.352 0.749 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.168 -10.249 2.651 1.00 0.46 C ATOM 0 H THR A 61 -11.484 -8.999 2.004 1.00 0.27 H new ATOM 0 HA THR A 61 -12.036 -11.021 3.968 1.00 0.33 H new ATOM 0 HB THR A 61 -13.225 -12.005 1.882 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.467 -10.419 0.166 1.00 0.48 H new ATOM 0 HG21 THR A 61 -15.031 -10.332 1.991 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.399 -10.713 3.610 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.929 -9.197 2.805 1.00 0.46 H new ATOM 996 N SER A 62 -9.685 -11.498 1.864 1.00 0.28 N ATOM 997 CA SER A 62 -8.632 -12.397 1.427 1.00 0.31 C ATOM 998 C SER A 62 -7.277 -11.715 1.541 1.00 0.26 C ATOM 999 O SER A 62 -7.202 -10.522 1.854 1.00 0.24 O ATOM 1000 CB SER A 62 -8.879 -12.836 -0.016 1.00 0.41 C ATOM 1001 OG SER A 62 -10.150 -13.450 -0.152 1.00 1.09 O ATOM 0 H SER A 62 -9.542 -10.525 1.595 1.00 0.28 H new ATOM 0 HA SER A 62 -8.636 -13.278 2.069 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.816 -11.972 -0.678 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.100 -13.533 -0.326 1.00 0.41 H new ATOM 0 HG SER A 62 -10.285 -13.720 -1.084 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.215 -12.466 1.294 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.874 -11.910 1.306 1.00 0.23 C ATOM 1009 C GLU A 63 -4.529 -11.353 -0.064 1.00 0.24 C ATOM 1010 O GLU A 63 -5.034 -11.826 -1.086 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.841 -12.969 1.693 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.159 -13.695 2.986 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.248 -14.878 3.218 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -3.302 -15.839 2.419 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -2.483 -14.859 4.199 1.00 2.06 O ATOM 0 H GLU A 63 -6.257 -13.463 1.083 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.850 -11.111 2.047 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.765 -13.699 0.887 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.865 -12.493 1.786 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.069 -13.001 3.822 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.194 -14.035 2.964 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.690 -10.341 -0.078 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.185 -9.786 -1.316 1.00 0.17 C ATOM 1024 C PHE A 64 -1.677 -9.935 -1.359 1.00 0.16 C ATOM 1025 O PHE A 64 -1.040 -10.198 -0.336 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.576 -8.317 -1.457 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.030 -8.109 -1.773 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.988 -8.164 -0.773 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.438 -7.865 -3.075 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.325 -7.979 -1.066 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.774 -7.678 -3.373 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.719 -7.736 -2.367 1.00 0.28 C ATOM 0 H PHE A 64 -3.340 -9.881 0.762 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.627 -10.331 -2.150 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.336 -7.795 -0.531 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.973 -7.863 -2.244 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.686 -8.354 0.246 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.703 -7.821 -3.865 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.062 -8.024 -0.278 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.079 -7.487 -4.391 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.764 -7.592 -2.598 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.112 -9.763 -2.537 1.00 0.17 N ATOM 1043 CA TYR A 65 0.316 -9.931 -2.720 1.00 0.16 C ATOM 1044 C TYR A 65 1.026 -8.644 -2.358 1.00 0.16 C ATOM 1045 O TYR A 65 1.024 -7.684 -3.118 1.00 0.18 O ATOM 1046 CB TYR A 65 0.626 -10.336 -4.162 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.153 -11.549 -4.610 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.247 -12.828 -4.244 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.297 -11.415 -5.384 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.470 -13.940 -4.640 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -2.021 -12.521 -5.782 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.604 -13.782 -5.408 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.324 -14.888 -5.806 1.00 0.66 O ATOM 0 H TYR A 65 -1.621 -9.507 -3.383 1.00 0.17 H new ATOM 0 HA TYR A 65 0.672 -10.726 -2.065 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.402 -9.501 -4.825 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.693 -10.540 -4.256 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.133 -12.955 -3.640 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.626 -10.430 -5.680 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.144 -14.928 -4.350 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.910 -12.400 -6.383 1.00 0.51 H new ATOM 0 HH TYR A 65 -3.095 -14.602 -6.340 1.00 0.66 H new ATOM 1063 N LEU A 66 1.610 -8.619 -1.184 1.00 0.15 N ATOM 1064 CA LEU A 66 2.198 -7.403 -0.666 1.00 0.16 C ATOM 1065 C LEU A 66 3.702 -7.410 -0.849 1.00 0.16 C ATOM 1066 O LEU A 66 4.347 -8.459 -0.775 1.00 0.20 O ATOM 1067 CB LEU A 66 1.850 -7.244 0.813 1.00 0.18 C ATOM 1068 CG LEU A 66 0.355 -7.285 1.124 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.118 -7.165 2.619 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.386 -6.189 0.371 1.00 0.19 C ATOM 0 H LEU A 66 1.692 -9.427 -0.567 1.00 0.15 H new ATOM 0 HA LEU A 66 1.790 -6.559 -1.223 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.346 -8.034 1.376 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.255 -6.297 1.168 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.036 -8.246 0.791 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.953 -7.196 2.821 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.609 -7.992 3.133 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.528 -6.221 2.978 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.449 -6.239 0.609 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.007 -5.216 0.666 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.247 -6.327 -0.701 1.00 0.19 H new ATOM 1082 N SER A 67 4.248 -6.242 -1.106 1.00 0.17 N ATOM 1083 CA SER A 67 5.681 -6.067 -1.150 1.00 0.18 C ATOM 1084 C SER A 67 6.043 -4.903 -0.248 1.00 0.22 C ATOM 1085 O SER A 67 5.742 -3.746 -0.544 1.00 0.26 O ATOM 1086 CB SER A 67 6.163 -5.809 -2.580 1.00 0.22 C ATOM 1087 OG SER A 67 5.753 -6.848 -3.458 1.00 0.29 O ATOM 0 H SER A 67 3.714 -5.392 -1.289 1.00 0.17 H new ATOM 0 HA SER A 67 6.171 -6.977 -0.805 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.769 -4.856 -2.932 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.250 -5.729 -2.591 1.00 0.22 H new ATOM 0 HG SER A 67 6.437 -6.984 -4.146 1.00 0.29 H new ATOM 1093 N ASP A 68 6.672 -5.221 0.863 1.00 0.26 N ATOM 1094 CA ASP A 68 6.963 -4.233 1.883 1.00 0.34 C ATOM 1095 C ASP A 68 8.412 -3.811 1.812 1.00 0.29 C ATOM 1096 O ASP A 68 9.314 -4.634 1.947 1.00 0.34 O ATOM 1097 CB ASP A 68 6.664 -4.801 3.267 1.00 0.46 C ATOM 1098 CG ASP A 68 6.906 -3.798 4.377 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.960 -3.062 4.727 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.023 -3.775 4.932 1.00 2.01 O ATOM 0 H ASP A 68 6.994 -6.163 1.085 1.00 0.26 H new ATOM 0 HA ASP A 68 6.331 -3.362 1.707 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.626 -5.132 3.303 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.285 -5.680 3.436 1.00 0.46 H new ATOM 1105 N CYS A 69 8.634 -2.538 1.586 1.00 0.28 N ATOM 1106 CA CYS A 69 9.978 -2.009 1.600 1.00 0.26 C ATOM 1107 C CYS A 69 10.283 -1.459 2.980 1.00 0.30 C ATOM 1108 O CYS A 69 9.657 -0.496 3.420 1.00 0.35 O ATOM 1109 CB CYS A 69 10.109 -0.907 0.553 1.00 0.25 C ATOM 1110 SG CYS A 69 9.871 -1.462 -1.163 1.00 0.62 S ATOM 0 H CYS A 69 7.905 -1.851 1.391 1.00 0.28 H new ATOM 0 HA CYS A 69 10.688 -2.802 1.364 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.381 -0.126 0.773 1.00 0.25 H new ATOM 0 HB3 CYS A 69 11.097 -0.455 0.641 1.00 0.25 H new ATOM 1115 N ASN A 70 11.259 -2.048 3.648 1.00 0.35 N ATOM 1116 CA ASN A 70 11.625 -1.633 4.995 1.00 0.42 C ATOM 1117 C ASN A 70 13.106 -1.316 5.061 1.00 0.44 C ATOM 1118 O ASN A 70 13.912 -1.934 4.368 1.00 0.49 O ATOM 1119 CB ASN A 70 11.256 -2.715 6.022 1.00 0.51 C ATOM 1120 CG ASN A 70 11.785 -4.090 5.657 1.00 0.97 C ATOM 1121 OD1 ASN A 70 12.897 -4.470 6.028 1.00 1.93 O ATOM 1122 ND2 ASN A 70 10.979 -4.853 4.937 1.00 1.08 N ATOM 0 H ASN A 70 11.816 -2.819 3.279 1.00 0.35 H new ATOM 0 HA ASN A 70 11.064 -0.732 5.241 1.00 0.42 H new ATOM 0 HB2 ASN A 70 11.648 -2.429 6.998 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.171 -2.763 6.116 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.271 -5.793 4.669 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.066 -4.501 4.650 1.00 1.08 H new ATOM 1129 N VAL A 71 13.454 -0.331 5.870 1.00 0.47 N ATOM 1130 CA VAL A 71 14.827 0.126 5.965 1.00 0.51 C ATOM 1131 C VAL A 71 15.699 -0.930 6.635 1.00 0.56 C ATOM 1132 O VAL A 71 15.255 -1.661 7.526 1.00 0.60 O ATOM 1133 CB VAL A 71 14.920 1.474 6.720 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.705 1.295 8.213 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.245 2.163 6.448 1.00 0.82 C ATOM 0 H VAL A 71 12.801 0.169 6.473 1.00 0.47 H new ATOM 0 HA VAL A 71 15.197 0.287 4.952 1.00 0.51 H new ATOM 0 HB VAL A 71 14.120 2.111 6.343 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.778 2.263 8.710 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.717 0.869 8.390 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.466 0.624 8.612 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.282 3.107 6.991 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.063 1.522 6.778 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.343 2.355 5.379 1.00 0.82 H new ATOM 1145 N THR A 72 16.925 -1.034 6.160 1.00 0.58 N ATOM 1146 CA THR A 72 17.879 -1.974 6.703 1.00 0.64 C ATOM 1147 C THR A 72 18.655 -1.327 7.844 1.00 0.75 C ATOM 1148 O THR A 72 18.079 -0.640 8.687 1.00 0.93 O ATOM 1149 CB THR A 72 18.854 -2.453 5.606 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.419 -1.327 4.915 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.149 -3.365 4.615 1.00 0.78 C ATOM 0 H THR A 72 17.284 -0.470 5.390 1.00 0.58 H new ATOM 0 HA THR A 72 17.336 -2.838 7.085 1.00 0.64 H new ATOM 0 HB THR A 72 19.654 -3.016 6.087 1.00 0.71 H new ATOM 0 HG1 THR A 72 20.036 -1.644 4.223 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.857 -3.689 3.852 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.755 -4.236 5.139 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.329 -2.824 4.143 1.00 0.78 H new ATOM 1159 N SER A 73 19.956 -1.543 7.866 1.00 0.86 N ATOM 1160 CA SER A 73 20.812 -0.921 8.858 1.00 1.02 C ATOM 1161 C SER A 73 21.282 0.439 8.359 1.00 0.90 C ATOM 1162 O SER A 73 21.823 1.244 9.115 1.00 0.99 O ATOM 1163 CB SER A 73 22.010 -1.823 9.154 1.00 1.33 C ATOM 1164 OG SER A 73 22.673 -2.201 7.955 1.00 1.87 O ATOM 0 H SER A 73 20.445 -2.147 7.205 1.00 0.86 H new ATOM 0 HA SER A 73 20.247 -0.779 9.779 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.707 -1.303 9.811 1.00 1.33 H new ATOM 0 HB3 SER A 73 21.676 -2.714 9.685 1.00 1.33 H new ATOM 0 HG SER A 73 23.437 -2.776 8.171 1.00 1.87 H new ATOM 1170 N ARG A 74 21.061 0.685 7.076 1.00 0.81 N ATOM 1171 CA ARG A 74 21.488 1.920 6.447 1.00 0.76 C ATOM 1172 C ARG A 74 20.289 2.746 6.017 1.00 0.68 C ATOM 1173 O ARG A 74 19.365 2.234 5.380 1.00 0.63 O ATOM 1174 CB ARG A 74 22.390 1.618 5.253 1.00 0.88 C ATOM 1175 CG ARG A 74 23.749 1.088 5.665 1.00 1.40 C ATOM 1176 CD ARG A 74 24.496 0.463 4.500 1.00 1.55 C ATOM 1177 NE ARG A 74 24.903 1.444 3.493 1.00 2.35 N ATOM 1178 CZ ARG A 74 25.631 1.137 2.416 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.988 -0.120 2.188 1.00 2.41 N ATOM 1180 NH2 ARG A 74 26.007 2.080 1.563 1.00 3.76 N ATOM 0 H ARG A 74 20.584 0.038 6.448 1.00 0.81 H new ATOM 0 HA ARG A 74 22.056 2.501 7.174 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.900 0.888 4.608 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.522 2.526 4.664 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.343 1.901 6.082 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.624 0.347 6.455 1.00 1.40 H new ATOM 0 HD2 ARG A 74 25.380 -0.052 4.876 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.863 -0.290 4.031 1.00 1.55 H new ATOM 0 HE ARG A 74 24.615 2.414 3.620 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.707 -0.856 2.836 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.544 -0.351 1.365 1.00 2.41 H new ATOM 0 HH21 ARG A 74 25.740 3.051 1.726 1.00 3.76 H new ATOM 0 HH22 ARG A 74 26.563 1.834 0.744 1.00 3.76 H new ATOM 1194 N PRO A 75 20.297 4.035 6.372 1.00 0.74 N ATOM 1195 CA PRO A 75 19.203 4.958 6.063 1.00 0.74 C ATOM 1196 C PRO A 75 18.919 5.036 4.567 1.00 0.65 C ATOM 1197 O PRO A 75 19.846 5.112 3.757 1.00 0.70 O ATOM 1198 CB PRO A 75 19.713 6.312 6.568 1.00 0.92 C ATOM 1199 CG PRO A 75 20.784 5.991 7.553 1.00 1.05 C ATOM 1200 CD PRO A 75 21.391 4.692 7.105 1.00 0.92 C ATOM 0 HA PRO A 75 18.268 4.640 6.524 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.102 6.916 5.748 1.00 0.92 H new ATOM 0 HB3 PRO A 75 18.911 6.885 7.033 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.534 6.781 7.583 1.00 1.05 H new ATOM 0 HG3 PRO A 75 20.374 5.902 8.559 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.260 4.854 6.468 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.724 4.092 7.952 1.00 0.92 H new ATOM 1208 N CYS A 76 17.637 4.996 4.212 1.00 0.57 N ATOM 1209 CA CYS A 76 17.196 5.151 2.824 1.00 0.52 C ATOM 1210 C CYS A 76 17.598 3.934 1.970 1.00 0.51 C ATOM 1211 O CYS A 76 17.403 3.922 0.755 1.00 0.55 O ATOM 1212 CB CYS A 76 17.760 6.464 2.248 1.00 0.58 C ATOM 1213 SG CYS A 76 16.925 7.102 0.750 1.00 1.55 S ATOM 0 H CYS A 76 16.875 4.856 4.875 1.00 0.57 H new ATOM 0 HA CYS A 76 16.107 5.202 2.801 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.710 7.229 3.022 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.814 6.314 2.017 1.00 0.58 H new ATOM 1218 N LYS A 77 18.151 2.906 2.612 1.00 0.50 N ATOM 1219 CA LYS A 77 18.428 1.641 1.942 1.00 0.50 C ATOM 1220 C LYS A 77 17.469 0.579 2.464 1.00 0.47 C ATOM 1221 O LYS A 77 17.359 0.368 3.676 1.00 0.51 O ATOM 1222 CB LYS A 77 19.881 1.198 2.149 1.00 0.60 C ATOM 1223 CG LYS A 77 20.167 -0.202 1.621 1.00 1.30 C ATOM 1224 CD LYS A 77 19.844 -0.326 0.136 1.00 1.57 C ATOM 1225 CE LYS A 77 19.819 -1.780 -0.312 1.00 2.24 C ATOM 1226 NZ LYS A 77 19.533 -1.912 -1.766 1.00 2.60 N ATOM 0 H LYS A 77 18.416 2.927 3.597 1.00 0.50 H new ATOM 0 HA LYS A 77 18.281 1.777 0.870 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.544 1.908 1.654 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.116 1.232 3.213 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.217 -0.445 1.786 1.00 1.30 H new ATOM 0 HG3 LYS A 77 19.580 -0.929 2.182 1.00 1.30 H new ATOM 0 HD2 LYS A 77 18.877 0.134 -0.066 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.586 0.222 -0.445 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.779 -2.245 -0.088 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.063 -2.321 0.257 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 18.598 -2.348 -1.898 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 19.542 -0.971 -2.208 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.259 -2.510 -2.210 1.00 2.60 H new ATOM 1240 N TYR A 78 16.792 -0.099 1.551 1.00 0.45 N ATOM 1241 CA TYR A 78 15.677 -0.949 1.925 1.00 0.47 C ATOM 1242 C TYR A 78 15.899 -2.416 1.607 1.00 0.52 C ATOM 1243 O TYR A 78 16.721 -2.778 0.761 1.00 0.59 O ATOM 1244 CB TYR A 78 14.414 -0.468 1.224 1.00 0.48 C ATOM 1245 CG TYR A 78 13.958 0.882 1.699 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.084 0.992 2.767 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.394 2.044 1.078 1.00 0.74 C ATOM 1248 CE1 TYR A 78 12.655 2.221 3.209 1.00 1.15 C ATOM 1249 CE2 TYR A 78 13.972 3.280 1.518 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.101 3.359 2.580 1.00 1.17 C ATOM 1251 OH TYR A 78 12.660 4.575 3.010 1.00 1.44 O ATOM 0 H TYR A 78 16.995 -0.077 0.552 1.00 0.45 H new ATOM 0 HA TYR A 78 15.578 -0.873 3.008 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.594 -0.427 0.150 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.616 -1.193 1.386 1.00 0.48 H new ATOM 0 HD1 TYR A 78 12.734 0.098 3.261 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.072 1.979 0.240 1.00 0.74 H new ATOM 0 HE1 TYR A 78 11.973 2.292 4.044 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.322 4.179 1.033 1.00 0.99 H new ATOM 0 HH TYR A 78 12.605 4.576 3.988 1.00 1.44 H new ATOM 1261 N LYS A 79 15.147 -3.238 2.317 1.00 0.53 N ATOM 1262 CA LYS A 79 15.044 -4.659 2.052 1.00 0.58 C ATOM 1263 C LYS A 79 13.635 -4.946 1.548 1.00 0.46 C ATOM 1264 O LYS A 79 12.658 -4.519 2.167 1.00 0.47 O ATOM 1265 CB LYS A 79 15.319 -5.451 3.337 1.00 0.78 C ATOM 1266 CG LYS A 79 15.064 -6.948 3.214 1.00 1.39 C ATOM 1267 CD LYS A 79 16.107 -7.637 2.345 1.00 2.02 C ATOM 1268 CE LYS A 79 17.491 -7.576 2.973 1.00 2.63 C ATOM 1269 NZ LYS A 79 18.484 -8.373 2.206 1.00 3.52 N ATOM 0 H LYS A 79 14.581 -2.930 3.108 1.00 0.53 H new ATOM 0 HA LYS A 79 15.777 -4.959 1.303 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.356 -5.293 3.633 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.695 -5.052 4.137 1.00 0.78 H new ATOM 0 HG2 LYS A 79 15.065 -7.398 4.207 1.00 1.39 H new ATOM 0 HG3 LYS A 79 14.073 -7.113 2.790 1.00 1.39 H new ATOM 0 HD2 LYS A 79 15.823 -8.678 2.191 1.00 2.02 H new ATOM 0 HD3 LYS A 79 16.132 -7.165 1.363 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.821 -6.538 3.025 1.00 2.63 H new ATOM 0 HE3 LYS A 79 17.442 -7.946 3.997 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.414 -8.305 2.667 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 18.183 -9.368 2.178 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 18.551 -8.004 1.236 1.00 3.52 H new ATOM 1283 N LEU A 80 13.528 -5.631 0.420 1.00 0.45 N ATOM 1284 CA LEU A 80 12.224 -5.968 -0.132 1.00 0.41 C ATOM 1285 C LEU A 80 11.628 -7.150 0.622 1.00 0.42 C ATOM 1286 O LEU A 80 12.325 -8.121 0.925 1.00 0.49 O ATOM 1287 CB LEU A 80 12.337 -6.300 -1.625 1.00 0.50 C ATOM 1288 CG LEU A 80 11.470 -5.457 -2.552 1.00 0.58 C ATOM 1289 CD1 LEU A 80 11.766 -5.794 -4.005 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.993 -5.660 -2.250 1.00 0.74 C ATOM 0 H LEU A 80 14.322 -5.963 -0.128 1.00 0.45 H new ATOM 0 HA LEU A 80 11.568 -5.105 -0.019 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.378 -6.186 -1.927 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.077 -7.349 -1.767 1.00 0.50 H new ATOM 0 HG LEU A 80 11.710 -4.408 -2.380 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.139 -5.184 -4.655 1.00 1.34 H new ATOM 0 HD12 LEU A 80 12.815 -5.592 -4.219 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.556 -6.848 -4.184 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.396 -5.047 -2.925 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.734 -6.710 -2.388 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.789 -5.369 -1.220 1.00 0.74 H new ATOM 1302 N LYS A 81 10.344 -7.062 0.927 1.00 0.40 N ATOM 1303 CA LYS A 81 9.652 -8.127 1.633 1.00 0.44 C ATOM 1304 C LYS A 81 8.396 -8.514 0.871 1.00 0.38 C ATOM 1305 O LYS A 81 7.383 -7.820 0.915 1.00 0.36 O ATOM 1306 CB LYS A 81 9.301 -7.671 3.056 1.00 0.49 C ATOM 1307 CG LYS A 81 8.580 -8.718 3.895 1.00 0.60 C ATOM 1308 CD LYS A 81 8.621 -8.373 5.379 1.00 0.71 C ATOM 1309 CE LYS A 81 7.892 -7.073 5.693 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.418 -7.261 5.802 1.00 1.87 N ATOM 0 H LYS A 81 9.758 -6.260 0.695 1.00 0.40 H new ATOM 0 HA LYS A 81 10.303 -8.999 1.701 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.219 -7.382 3.568 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.676 -6.780 2.995 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.543 -8.797 3.568 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.040 -9.693 3.735 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.172 -9.185 5.951 1.00 0.71 H new ATOM 0 HD3 LYS A 81 9.659 -8.292 5.702 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.273 -6.662 6.628 1.00 1.18 H new ATOM 0 HE3 LYS A 81 8.106 -6.342 4.913 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 5.967 -6.349 6.016 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 6.047 -7.628 4.902 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.210 -7.938 6.564 1.00 1.87 H new ATOM 1324 N LYS A 82 8.486 -9.619 0.152 1.00 0.40 N ATOM 1325 CA LYS A 82 7.377 -10.116 -0.637 1.00 0.37 C ATOM 1326 C LYS A 82 6.584 -11.132 0.166 1.00 0.36 C ATOM 1327 O LYS A 82 7.120 -12.151 0.602 1.00 0.46 O ATOM 1328 CB LYS A 82 7.909 -10.737 -1.926 1.00 0.47 C ATOM 1329 CG LYS A 82 8.715 -9.758 -2.764 1.00 0.54 C ATOM 1330 CD LYS A 82 9.436 -10.454 -3.902 1.00 0.76 C ATOM 1331 CE LYS A 82 10.199 -9.464 -4.764 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.962 -10.141 -5.841 1.00 1.10 N ATOM 0 H LYS A 82 9.327 -10.194 0.100 1.00 0.40 H new ATOM 0 HA LYS A 82 6.712 -9.292 -0.894 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.533 -11.596 -1.679 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.072 -11.110 -2.516 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.052 -8.993 -3.167 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.441 -9.249 -2.130 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.126 -11.194 -3.498 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.714 -10.993 -4.516 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.500 -8.753 -5.206 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.884 -8.891 -4.139 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.096 -9.485 -6.637 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.890 -10.437 -5.476 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.436 -10.977 -6.167 1.00 1.10 H new ATOM 1346 N SER A 83 5.313 -10.841 0.376 1.00 0.31 N ATOM 1347 CA SER A 83 4.474 -11.674 1.214 1.00 0.36 C ATOM 1348 C SER A 83 3.037 -11.656 0.700 1.00 0.31 C ATOM 1349 O SER A 83 2.717 -10.924 -0.238 1.00 0.50 O ATOM 1350 CB SER A 83 4.541 -11.150 2.653 1.00 0.46 C ATOM 1351 OG SER A 83 3.952 -12.048 3.578 1.00 1.12 O ATOM 0 H SER A 83 4.839 -10.031 -0.024 1.00 0.31 H new ATOM 0 HA SER A 83 4.828 -12.705 1.188 1.00 0.36 H new ATOM 0 HB2 SER A 83 5.582 -10.979 2.928 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.034 -10.187 2.711 1.00 0.46 H new ATOM 0 HG SER A 83 4.018 -11.676 4.482 1.00 1.12 H new ATOM 1357 N THR A 84 2.186 -12.468 1.302 1.00 0.25 N ATOM 1358 CA THR A 84 0.773 -12.479 0.974 1.00 0.23 C ATOM 1359 C THR A 84 -0.040 -12.419 2.262 1.00 0.22 C ATOM 1360 O THR A 84 0.018 -13.340 3.074 1.00 0.29 O ATOM 1361 CB THR A 84 0.389 -13.750 0.190 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.421 -14.076 -0.753 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.924 -13.558 -0.554 1.00 0.27 C ATOM 0 H THR A 84 2.453 -13.134 2.027 1.00 0.25 H new ATOM 0 HA THR A 84 0.559 -11.613 0.347 1.00 0.23 H new ATOM 0 HB THR A 84 0.271 -14.563 0.906 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.170 -14.885 -1.246 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.171 -14.470 -1.098 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.717 -13.336 0.160 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.826 -12.731 -1.257 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.770 -11.329 2.457 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.566 -11.150 3.665 1.00 0.18 C ATOM 1373 C ASN A 85 -2.718 -10.202 3.390 1.00 0.17 C ATOM 1374 O ASN A 85 -2.717 -9.484 2.388 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.731 -10.591 4.820 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.184 -11.127 6.168 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.346 -11.495 6.347 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.272 -11.167 7.129 1.00 0.37 N ATOM 0 H ASN A 85 -0.828 -10.555 1.795 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.942 -12.131 3.954 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.318 -10.844 4.664 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.799 -9.503 4.822 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.523 -11.512 8.056 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.680 -10.853 6.942 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.706 -10.223 4.266 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.813 -9.294 4.195 1.00 0.19 C ATOM 1387 C LYS A 86 -4.357 -7.936 4.702 1.00 0.18 C ATOM 1388 O LYS A 86 -3.235 -7.802 5.186 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.967 -9.811 5.049 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.200 -11.302 4.899 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.434 -11.744 5.652 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.563 -13.256 5.667 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.629 -13.715 6.594 1.00 1.17 N ATOM 0 H LYS A 86 -3.762 -10.882 5.042 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.151 -9.199 3.163 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.765 -9.585 6.096 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.878 -9.278 4.778 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.307 -11.551 3.843 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.331 -11.847 5.269 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.390 -11.371 6.675 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.319 -11.307 5.191 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.781 -13.611 4.660 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.611 -13.698 5.962 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.683 -14.753 6.574 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.409 -13.399 7.560 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.542 -13.315 6.298 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.206 -6.933 4.597 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.886 -5.624 5.144 1.00 0.18 C ATOM 1409 C PHE A 87 -6.145 -4.816 5.392 1.00 0.18 C ATOM 1410 O PHE A 87 -7.167 -5.018 4.736 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.918 -4.859 4.230 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.355 -4.741 2.792 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.343 -3.842 2.418 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.761 -5.520 1.813 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.733 -3.731 1.097 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.147 -5.407 0.492 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.133 -4.513 0.133 1.00 0.20 C ATOM 0 H PHE A 87 -6.117 -6.995 4.142 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.388 -5.779 6.101 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.777 -3.857 4.634 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.947 -5.354 4.259 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.813 -3.222 3.167 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -2.988 -6.223 2.086 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.508 -3.032 0.820 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.675 -6.020 -0.262 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.435 -4.425 -0.900 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.079 -3.926 6.365 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.190 -3.057 6.670 1.00 0.20 C ATOM 1429 C CYS A 88 -6.985 -1.709 6.005 1.00 0.20 C ATOM 1430 O CYS A 88 -5.972 -1.038 6.233 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.343 -2.862 8.177 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.648 -1.668 8.625 1.00 0.49 S ATOM 0 H CYS A 88 -5.261 -3.789 6.958 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.098 -3.524 6.290 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.566 -3.823 8.639 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.393 -2.523 8.590 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.930 -1.324 5.175 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.910 -0.019 4.552 1.00 0.22 C ATOM 1439 C VAL A 89 -9.040 0.826 5.107 1.00 0.24 C ATOM 1440 O VAL A 89 -10.141 0.326 5.342 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.021 -0.103 3.012 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.702 -0.558 2.408 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.149 -1.042 2.594 1.00 0.20 C ATOM 0 H VAL A 89 -8.729 -1.902 4.914 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.950 0.443 4.782 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.253 0.893 2.636 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.798 -0.612 1.324 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.918 0.153 2.668 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.443 -1.542 2.799 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.205 -1.082 1.506 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.955 -2.041 2.985 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.095 -0.674 2.992 1.00 0.20 H new ATOM 1453 N THR A 90 -8.762 2.090 5.362 1.00 0.26 N ATOM 1454 CA THR A 90 -9.795 2.991 5.811 1.00 0.28 C ATOM 1455 C THR A 90 -10.585 3.470 4.604 1.00 0.25 C ATOM 1456 O THR A 90 -10.083 4.256 3.796 1.00 0.25 O ATOM 1457 CB THR A 90 -9.208 4.199 6.559 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.316 3.743 7.580 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.312 5.042 7.185 1.00 0.40 C ATOM 0 H THR A 90 -7.837 2.509 5.266 1.00 0.26 H new ATOM 0 HA THR A 90 -10.444 2.457 6.505 1.00 0.28 H new ATOM 0 HB THR A 90 -8.666 4.817 5.843 1.00 0.33 H new ATOM 0 HG1 THR A 90 -7.941 4.514 8.055 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.870 5.890 7.708 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.980 5.405 6.404 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.877 4.434 7.892 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.797 2.975 4.466 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.616 3.280 3.309 1.00 0.22 C ATOM 1469 C CYS A 91 -13.438 4.537 3.522 1.00 0.25 C ATOM 1470 O CYS A 91 -14.109 4.682 4.540 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.528 2.097 3.024 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.616 0.547 2.772 1.00 0.20 S ATOM 0 H CYS A 91 -12.240 2.356 5.145 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.961 3.461 2.457 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.224 1.973 3.854 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.125 2.310 2.137 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.365 5.450 2.566 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.189 6.642 2.589 1.00 0.29 C ATOM 1479 C GLU A 92 -14.614 6.993 1.170 1.00 0.27 C ATOM 1480 O GLU A 92 -13.786 7.020 0.261 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.434 7.814 3.214 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.354 8.894 3.758 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.605 10.111 4.243 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.074 10.076 5.371 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.548 11.112 3.500 1.00 0.76 O ATOM 0 H GLU A 92 -12.740 5.385 1.763 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.072 6.445 3.196 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.803 7.443 4.021 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.772 8.252 2.467 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.057 9.192 2.980 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.942 8.484 4.579 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.906 7.243 0.988 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.471 7.571 -0.326 1.00 0.31 C ATOM 1494 C ASN A 93 -16.190 6.453 -1.326 1.00 0.28 C ATOM 1495 O ASN A 93 -15.972 6.704 -2.511 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.913 8.900 -0.858 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.137 10.059 0.093 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -15.121 10.386 0.875 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -17.206 10.670 0.112 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.593 7.225 1.741 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.549 7.676 -0.203 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.845 8.791 -1.044 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.381 9.127 -1.816 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -17.966 10.387 -0.507 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -17.331 11.459 0.746 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.198 5.217 -0.826 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.990 4.024 -1.644 1.00 0.25 C ATOM 1508 C GLN A 94 -14.576 3.968 -2.212 1.00 0.22 C ATOM 1509 O GLN A 94 -14.343 3.424 -3.294 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.022 3.956 -2.769 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.453 3.914 -2.262 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.453 3.590 -3.349 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.609 4.000 -3.290 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.014 2.855 -4.355 1.00 0.48 N ATOM 0 H GLN A 94 -16.350 5.015 0.162 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.119 3.157 -0.996 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.899 4.821 -3.420 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.832 3.071 -3.376 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.531 3.169 -1.470 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.705 4.878 -1.819 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.046 2.534 -4.367 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.643 2.609 -5.119 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.635 4.519 -1.467 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.233 4.473 -1.844 1.00 0.19 C ATOM 1525 C ALA A 95 -11.344 4.407 -0.607 1.00 0.17 C ATOM 1526 O ALA A 95 -11.584 5.110 0.373 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.876 5.686 -2.691 1.00 0.21 C ATOM 0 H ALA A 95 -13.818 5.007 -0.590 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.064 3.572 -2.434 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.823 5.640 -2.967 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.488 5.693 -3.593 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.062 6.596 -2.120 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.343 3.517 -0.617 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.319 3.464 0.433 1.00 0.17 C ATOM 1535 C PRO A 96 -8.549 4.780 0.543 1.00 0.19 C ATOM 1536 O PRO A 96 -7.816 5.157 -0.370 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.383 2.340 -0.018 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.173 1.528 -0.987 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.158 2.464 -1.627 1.00 0.17 C ATOM 0 HA PRO A 96 -9.757 3.293 1.417 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.484 2.742 -0.484 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.060 1.735 0.829 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.522 1.078 -1.737 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.687 0.712 -0.480 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.775 2.870 -2.563 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.097 1.961 -1.858 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.729 5.484 1.652 1.00 0.20 N ATOM 1548 CA VAL A 97 -8.099 6.788 1.831 1.00 0.24 C ATOM 1549 C VAL A 97 -6.926 6.722 2.807 1.00 0.27 C ATOM 1550 O VAL A 97 -5.939 7.438 2.657 1.00 0.35 O ATOM 1551 CB VAL A 97 -9.116 7.853 2.306 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -10.200 8.070 1.258 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.738 7.458 3.633 1.00 0.35 C ATOM 0 H VAL A 97 -9.302 5.178 2.438 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.718 7.083 0.853 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.577 8.790 2.446 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.904 8.823 1.613 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.744 8.410 0.328 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.729 7.133 1.082 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.449 8.224 3.944 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.256 6.505 3.523 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.956 7.361 4.387 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.030 5.858 3.804 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.974 5.706 4.799 1.00 0.35 C ATOM 1565 C HIS A 98 -5.601 4.242 4.933 1.00 0.31 C ATOM 1566 O HIS A 98 -6.458 3.368 4.816 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.412 6.252 6.166 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.407 7.750 6.277 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.715 8.427 7.257 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.036 8.698 5.544 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.918 9.724 7.122 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.716 9.916 6.089 1.00 0.82 N ATOM 0 H HIS A 98 -7.835 5.249 3.948 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.110 6.279 4.463 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.417 5.889 6.381 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.754 5.843 6.933 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.672 8.527 4.688 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -5.502 10.497 7.751 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.042 10.822 5.751 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.330 3.971 5.167 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.878 2.605 5.357 1.00 0.29 C ATOM 1583 C PHE A 99 -3.754 2.316 6.846 1.00 0.29 C ATOM 1584 O PHE A 99 -3.165 3.099 7.589 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.541 2.370 4.649 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.170 0.919 4.542 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.824 0.096 3.640 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.177 0.375 5.342 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.497 -1.241 3.537 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.845 -0.963 5.244 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.507 -1.772 4.340 1.00 0.31 C ATOM 0 H PHE A 99 -3.595 4.675 5.230 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.609 1.925 4.919 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.588 2.800 3.649 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.755 2.900 5.188 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.599 0.506 3.010 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.657 1.004 6.050 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.015 -1.871 2.829 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.070 -1.376 5.873 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.250 -2.818 4.262 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.335 1.210 7.283 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.328 0.855 8.693 1.00 0.28 C ATOM 1603 C VAL A 100 -3.178 -0.106 9.005 1.00 0.28 C ATOM 1604 O VAL A 100 -2.243 0.245 9.726 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.676 0.225 9.113 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.651 -0.186 10.576 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.830 1.189 8.842 1.00 0.29 C ATOM 0 H VAL A 100 -4.818 0.543 6.681 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.183 1.771 9.265 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.831 -0.672 8.513 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.611 -0.626 10.847 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.858 -0.917 10.735 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.466 0.690 11.197 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.769 0.726 9.145 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.678 2.107 9.410 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.867 1.422 7.778 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.245 -1.305 8.445 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.206 -2.297 8.659 1.00 0.29 C ATOM 1619 C GLY A 101 -2.542 -3.596 7.968 1.00 0.25 C ATOM 1620 O GLY A 101 -3.631 -3.726 7.413 1.00 0.28 O ATOM 0 H GLY A 101 -4.007 -1.612 7.841 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.255 -1.918 8.285 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.081 -2.472 9.728 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.632 -4.557 7.999 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.864 -5.823 7.319 1.00 0.22 C ATOM 1626 C VAL A 102 -2.263 -6.907 8.315 1.00 0.24 C ATOM 1627 O VAL A 102 -1.997 -6.800 9.513 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.646 -6.290 6.478 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.072 -5.102 5.854 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.313 -7.155 7.287 1.00 0.25 C ATOM 0 H VAL A 102 -0.736 -4.487 8.481 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.685 -5.652 6.623 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.031 -6.915 5.672 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.921 -5.456 5.270 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.616 -4.562 5.203 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.425 -4.436 6.641 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.149 -7.458 6.657 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.687 -6.586 8.138 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.211 -8.041 7.646 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.943 -7.924 7.815 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.381 -9.020 8.652 1.00 0.29 C ATOM 1642 C GLY A 103 -4.776 -8.802 9.191 1.00 0.28 C ATOM 1643 O GLY A 103 -5.709 -9.521 8.837 1.00 0.34 O ATOM 0 H GLY A 103 -3.202 -8.011 6.832 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.355 -9.946 8.078 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.686 -9.141 9.483 1.00 0.29 H new ATOM 1647 N SER A 104 -4.918 -7.798 10.039 1.00 0.33 N ATOM 1648 CA SER A 104 -6.201 -7.462 10.630 1.00 0.32 C ATOM 1649 C SER A 104 -6.242 -5.980 10.978 1.00 0.39 C ATOM 1650 O SER A 104 -5.222 -5.289 10.904 1.00 0.59 O ATOM 1651 CB SER A 104 -6.445 -8.321 11.871 1.00 0.45 C ATOM 1652 OG SER A 104 -5.309 -8.329 12.725 1.00 1.38 O ATOM 0 H SER A 104 -4.151 -7.195 10.336 1.00 0.33 H new ATOM 0 HA SER A 104 -6.994 -7.667 9.910 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.309 -7.940 12.415 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.683 -9.341 11.569 1.00 0.45 H new ATOM 0 HG SER A 104 -5.494 -8.885 13.511 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.414 -5.494 11.341 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.579 -4.092 11.664 1.00 0.53 C ATOM 1660 C CYS A 105 -7.702 -3.914 13.172 1.00 0.48 C ATOM 1661 O CYS A 105 -8.817 -4.089 13.705 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.812 -3.529 10.964 1.00 0.82 C ATOM 1663 SG CYS A 105 -8.723 -1.747 10.649 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.678 -3.617 13.823 1.00 1.20 O ATOM 0 H CYS A 105 -8.265 -6.051 11.419 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.702 -3.546 11.316 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -8.950 -4.050 10.016 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.691 -3.738 11.573 1.00 0.82 H new TER 1669 CYS A 105