USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 562 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 43 THR OG1 : rot -105:sc= 1.02 USER MOD Set 1.2: A 46 GLN : amide:sc= 2.21 K(o=3.2,f=-5.2!) USER MOD Set 2.1: A 19 TYR OH : rot 150:sc= 1.05 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.0032 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.135 USER MOD Single : A 4 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.37) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -9:sc=-0.00633 USER MOD Single : A 10 THR OG1 : rot 115:sc= 1.36 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.938 F(o=-2.9!,f=-0.94) USER MOD Single : A 20 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.7) USER MOD Single : A 22 ASN : amide:sc= 0.0949 X(o=0.095,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.0077) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= -0.288 (180deg=-1.25!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 32 THR OG1 : rot -150:sc= 0.354 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -121:sc= 0.0852 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 135:sc= 1.13 (180deg=0.983) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 1.03 K(o=1,f=-0.47) USER MOD Single : A 61 SER OG : rot 85:sc= 1.22 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00113 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0586 USER MOD Single : A 70 SER OG : rot 80:sc= 0.115 USER MOD Single : A 72 THR OG1 : rot 140:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.976 5.241 -14.440 1.00 0.00 N ATOM 2 CA MET A 1 20.842 5.647 -13.331 1.00 0.00 C ATOM 3 C MET A 1 21.260 4.429 -12.510 1.00 0.00 C ATOM 4 O MET A 1 20.505 3.466 -12.377 1.00 0.00 O ATOM 5 CB MET A 1 20.162 6.689 -12.432 1.00 0.00 C ATOM 6 CG MET A 1 21.108 7.752 -11.906 1.00 0.00 C ATOM 7 SD MET A 1 21.302 9.128 -13.051 1.00 0.00 S ATOM 8 CE MET A 1 22.001 10.365 -11.964 1.00 0.00 C ATOM 0 H1 MET A 1 19.473 6.073 -14.810 1.00 0.00 H new ATOM 0 H2 MET A 1 20.554 4.822 -15.196 1.00 0.00 H new ATOM 0 H3 MET A 1 19.286 4.540 -14.103 1.00 0.00 H new ATOM 0 HA MET A 1 21.731 6.110 -13.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.362 7.173 -12.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.697 6.179 -11.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.735 8.126 -10.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.083 7.304 -11.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.181 11.282 -12.525 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.306 10.568 -11.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.943 10.000 -11.555 1.00 0.00 H new ATOM 18 N SER A 2 22.473 4.468 -11.974 1.00 0.00 N ATOM 19 CA SER A 2 23.003 3.360 -11.187 1.00 0.00 C ATOM 20 C SER A 2 22.178 3.119 -9.925 1.00 0.00 C ATOM 21 O SER A 2 22.161 2.009 -9.387 1.00 0.00 O ATOM 22 CB SER A 2 24.457 3.646 -10.813 1.00 0.00 C ATOM 23 OG SER A 2 24.972 4.723 -11.584 1.00 0.00 O ATOM 0 H SER A 2 23.111 5.258 -12.070 1.00 0.00 H new ATOM 0 HA SER A 2 22.948 2.457 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.524 3.887 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.062 2.754 -10.976 1.00 0.00 H new ATOM 0 HG SER A 2 25.903 4.892 -11.329 1.00 0.00 H new ATOM 29 N ALA A 3 21.491 4.155 -9.467 1.00 0.00 N ATOM 30 CA ALA A 3 20.696 4.068 -8.256 1.00 0.00 C ATOM 31 C ALA A 3 19.211 4.012 -8.580 1.00 0.00 C ATOM 32 O ALA A 3 18.573 5.045 -8.796 1.00 0.00 O ATOM 33 CB ALA A 3 20.991 5.248 -7.348 1.00 0.00 C ATOM 0 H ALA A 3 21.470 5.069 -9.920 1.00 0.00 H new ATOM 0 HA ALA A 3 20.965 3.147 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 3 20.388 5.171 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.048 5.246 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 3 20.749 6.176 -7.867 1.00 0.00 H new ATOM 39 N GLN A 4 18.667 2.806 -8.618 1.00 0.00 N ATOM 40 CA GLN A 4 17.248 2.619 -8.862 1.00 0.00 C ATOM 41 C GLN A 4 16.557 2.187 -7.576 1.00 0.00 C ATOM 42 O GLN A 4 16.409 0.994 -7.300 1.00 0.00 O ATOM 43 CB GLN A 4 17.025 1.575 -9.960 1.00 0.00 C ATOM 44 CG GLN A 4 16.795 2.181 -11.335 1.00 0.00 C ATOM 45 CD GLN A 4 15.592 3.105 -11.372 1.00 0.00 C ATOM 46 OE1 GLN A 4 14.470 2.698 -11.068 1.00 0.00 O ATOM 47 NE2 GLN A 4 15.816 4.351 -11.753 1.00 0.00 N ATOM 0 H GLN A 4 19.189 1.941 -8.482 1.00 0.00 H new ATOM 0 HA GLN A 4 16.821 3.565 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.891 0.914 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.166 0.958 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 4 17.684 2.735 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 4 16.656 1.381 -12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.761 4.648 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 4 15.044 5.015 -11.804 1.00 0.00 H new ATOM 56 N THR A 5 16.133 3.162 -6.795 1.00 0.00 N ATOM 57 CA THR A 5 15.488 2.897 -5.523 1.00 0.00 C ATOM 58 C THR A 5 14.017 3.287 -5.578 1.00 0.00 C ATOM 59 O THR A 5 13.591 4.249 -4.941 1.00 0.00 O ATOM 60 CB THR A 5 16.186 3.662 -4.385 1.00 0.00 C ATOM 61 OG1 THR A 5 17.406 4.243 -4.873 1.00 0.00 O ATOM 62 CG2 THR A 5 16.490 2.738 -3.216 1.00 0.00 C ATOM 0 H THR A 5 16.225 4.152 -7.021 1.00 0.00 H new ATOM 0 HA THR A 5 15.565 1.828 -5.325 1.00 0.00 H new ATOM 0 HB THR A 5 15.517 4.449 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.849 4.731 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.983 3.303 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.560 2.315 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.145 1.933 -3.549 1.00 0.00 H new ATOM 70 N VAL A 6 13.252 2.544 -6.363 1.00 0.00 N ATOM 71 CA VAL A 6 11.825 2.789 -6.489 1.00 0.00 C ATOM 72 C VAL A 6 11.102 2.348 -5.218 1.00 0.00 C ATOM 73 O VAL A 6 10.356 3.120 -4.615 1.00 0.00 O ATOM 74 CB VAL A 6 11.244 2.055 -7.724 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.731 1.911 -7.633 1.00 0.00 C ATOM 76 CG2 VAL A 6 11.631 2.789 -9.000 1.00 0.00 C ATOM 0 H VAL A 6 13.597 1.765 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 6 11.671 3.859 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 6 11.669 1.051 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.361 1.392 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.473 1.339 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.274 2.899 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.217 2.264 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.236 3.804 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.717 2.825 -9.084 1.00 0.00 H new ATOM 86 N SER A 7 11.340 1.107 -4.812 1.00 0.00 N ATOM 87 CA SER A 7 10.729 0.554 -3.611 1.00 0.00 C ATOM 88 C SER A 7 11.512 -0.658 -3.125 1.00 0.00 C ATOM 89 O SER A 7 11.878 -1.529 -3.918 1.00 0.00 O ATOM 90 CB SER A 7 9.275 0.153 -3.882 1.00 0.00 C ATOM 91 OG SER A 7 8.485 1.279 -4.214 1.00 0.00 O ATOM 0 H SER A 7 11.958 0.460 -5.302 1.00 0.00 H new ATOM 0 HA SER A 7 10.746 1.322 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.241 -0.571 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.861 -0.338 -3.001 1.00 0.00 H new ATOM 0 HG SER A 7 9.002 2.098 -4.062 1.00 0.00 H new ATOM 97 N GLY A 8 11.779 -0.702 -1.831 1.00 0.00 N ATOM 98 CA GLY A 8 12.412 -1.863 -1.242 1.00 0.00 C ATOM 99 C GLY A 8 11.863 -2.167 0.138 1.00 0.00 C ATOM 100 O GLY A 8 12.581 -2.053 1.131 1.00 0.00 O ATOM 0 H GLY A 8 11.568 0.049 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.262 -2.726 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.487 -1.696 -1.176 1.00 0.00 H new ATOM 104 N PRO A 9 10.577 -2.544 0.240 1.00 0.00 N ATOM 105 CA PRO A 9 9.930 -2.824 1.510 1.00 0.00 C ATOM 106 C PRO A 9 10.038 -4.290 1.911 1.00 0.00 C ATOM 107 O PRO A 9 9.432 -5.168 1.290 1.00 0.00 O ATOM 108 CB PRO A 9 8.463 -2.451 1.248 1.00 0.00 C ATOM 109 CG PRO A 9 8.326 -2.288 -0.242 1.00 0.00 C ATOM 110 CD PRO A 9 9.630 -2.721 -0.861 1.00 0.00 C ATOM 0 HA PRO A 9 10.390 -2.272 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.793 -3.227 1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.198 -1.529 1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.501 -2.892 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.105 -1.251 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.593 -3.755 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.892 -2.109 -1.724 1.00 0.00 H new ATOM 118 N THR A 10 10.813 -4.551 2.947 1.00 0.00 N ATOM 119 CA THR A 10 10.964 -5.898 3.462 1.00 0.00 C ATOM 120 C THR A 10 9.755 -6.275 4.321 1.00 0.00 C ATOM 121 O THR A 10 8.955 -5.413 4.676 1.00 0.00 O ATOM 122 CB THR A 10 12.257 -6.021 4.284 1.00 0.00 C ATOM 123 OG1 THR A 10 12.492 -4.802 4.996 1.00 0.00 O ATOM 124 CG2 THR A 10 13.443 -6.311 3.384 1.00 0.00 C ATOM 0 H THR A 10 11.350 -3.844 3.450 1.00 0.00 H new ATOM 0 HA THR A 10 11.024 -6.585 2.618 1.00 0.00 H new ATOM 0 HB THR A 10 12.140 -6.846 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.426 -4.968 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.347 -6.394 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.275 -7.247 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.561 -5.501 2.665 1.00 0.00 H new ATOM 132 N GLU A 11 9.629 -7.557 4.652 1.00 0.00 N ATOM 133 CA GLU A 11 8.462 -8.073 5.375 1.00 0.00 C ATOM 134 C GLU A 11 8.227 -7.348 6.701 1.00 0.00 C ATOM 135 O GLU A 11 7.083 -7.116 7.091 1.00 0.00 O ATOM 136 CB GLU A 11 8.621 -9.573 5.623 1.00 0.00 C ATOM 137 CG GLU A 11 8.274 -10.429 4.410 1.00 0.00 C ATOM 138 CD GLU A 11 9.221 -10.210 3.247 1.00 0.00 C ATOM 139 OE1 GLU A 11 10.410 -9.923 3.494 1.00 0.00 O ATOM 140 OE2 GLU A 11 8.782 -10.323 2.085 1.00 0.00 O ATOM 0 H GLU A 11 10.327 -8.267 4.430 1.00 0.00 H new ATOM 0 HA GLU A 11 7.589 -7.891 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.650 -9.777 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.984 -9.865 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.294 -11.481 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.256 -10.204 4.091 1.00 0.00 H new ATOM 147 N ASP A 12 9.305 -6.982 7.381 1.00 0.00 N ATOM 148 CA ASP A 12 9.201 -6.269 8.652 1.00 0.00 C ATOM 149 C ASP A 12 8.593 -4.884 8.439 1.00 0.00 C ATOM 150 O ASP A 12 7.790 -4.408 9.243 1.00 0.00 O ATOM 151 CB ASP A 12 10.578 -6.152 9.334 1.00 0.00 C ATOM 152 CG ASP A 12 11.625 -5.421 8.502 1.00 0.00 C ATOM 153 OD1 ASP A 12 11.508 -5.402 7.260 1.00 0.00 O ATOM 154 OD2 ASP A 12 12.584 -4.874 9.091 1.00 0.00 O ATOM 0 H ASP A 12 10.261 -7.165 7.077 1.00 0.00 H new ATOM 0 HA ASP A 12 8.545 -6.841 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.458 -5.632 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.945 -7.153 9.562 1.00 0.00 H new ATOM 159 N GLN A 13 8.977 -4.252 7.341 1.00 0.00 N ATOM 160 CA GLN A 13 8.440 -2.961 6.954 1.00 0.00 C ATOM 161 C GLN A 13 7.009 -3.121 6.431 1.00 0.00 C ATOM 162 O GLN A 13 6.144 -2.270 6.662 1.00 0.00 O ATOM 163 CB GLN A 13 9.348 -2.332 5.889 1.00 0.00 C ATOM 164 CG GLN A 13 8.732 -1.150 5.169 1.00 0.00 C ATOM 165 CD GLN A 13 8.687 0.093 6.033 1.00 0.00 C ATOM 166 OE1 GLN A 13 7.508 0.420 6.535 1.00 0.00 O flip ATOM 167 NE2 GLN A 13 9.702 0.751 6.254 1.00 0.00 N flip ATOM 0 H GLN A 13 9.672 -4.623 6.693 1.00 0.00 H new ATOM 0 HA GLN A 13 8.409 -2.302 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.276 -2.012 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.610 -3.094 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.304 -0.940 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.721 -1.407 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.593 0.466 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.653 1.582 6.843 1.00 0.00 H new ATOM 176 N VAL A 14 6.779 -4.224 5.729 1.00 0.00 N ATOM 177 CA VAL A 14 5.474 -4.537 5.156 1.00 0.00 C ATOM 178 C VAL A 14 4.433 -4.757 6.255 1.00 0.00 C ATOM 179 O VAL A 14 3.246 -4.497 6.055 1.00 0.00 O ATOM 180 CB VAL A 14 5.565 -5.784 4.241 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.195 -6.401 3.982 1.00 0.00 C ATOM 182 CG2 VAL A 14 6.236 -5.417 2.926 1.00 0.00 C ATOM 0 H VAL A 14 7.493 -4.928 5.540 1.00 0.00 H new ATOM 0 HA VAL A 14 5.158 -3.686 4.553 1.00 0.00 H new ATOM 0 HB VAL A 14 6.167 -6.532 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.305 -7.272 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.748 -6.705 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.552 -5.668 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.296 -6.300 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.653 -4.645 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.241 -5.043 3.122 1.00 0.00 H new ATOM 192 N GLU A 15 4.890 -5.218 7.415 1.00 0.00 N ATOM 193 CA GLU A 15 4.016 -5.422 8.568 1.00 0.00 C ATOM 194 C GLU A 15 3.199 -4.165 8.860 1.00 0.00 C ATOM 195 O GLU A 15 1.977 -4.224 9.010 1.00 0.00 O ATOM 196 CB GLU A 15 4.842 -5.797 9.797 1.00 0.00 C ATOM 197 CG GLU A 15 4.486 -7.154 10.377 1.00 0.00 C ATOM 198 CD GLU A 15 4.971 -7.320 11.800 1.00 0.00 C ATOM 199 OE1 GLU A 15 4.717 -6.420 12.628 1.00 0.00 O ATOM 200 OE2 GLU A 15 5.605 -8.351 12.098 1.00 0.00 O ATOM 0 H GLU A 15 5.867 -5.459 7.583 1.00 0.00 H new ATOM 0 HA GLU A 15 3.330 -6.236 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.899 -5.791 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.703 -5.035 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.404 -7.286 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.920 -7.937 9.755 1.00 0.00 H new ATOM 207 N ILE A 16 3.886 -3.030 8.921 1.00 0.00 N ATOM 208 CA ILE A 16 3.232 -1.746 9.138 1.00 0.00 C ATOM 209 C ILE A 16 2.385 -1.373 7.925 1.00 0.00 C ATOM 210 O ILE A 16 1.253 -0.909 8.060 1.00 0.00 O ATOM 211 CB ILE A 16 4.262 -0.625 9.405 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.205 -1.026 10.543 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.561 0.687 9.732 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.662 -0.749 10.248 1.00 0.00 C ATOM 0 H ILE A 16 4.900 -2.974 8.823 1.00 0.00 H new ATOM 0 HA ILE A 16 2.594 -1.847 10.016 1.00 0.00 H new ATOM 0 HB ILE A 16 4.851 -0.480 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.918 -0.490 11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.080 -2.089 10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.306 1.461 9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.931 0.982 8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.944 0.558 10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.270 -1.058 11.098 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.966 -1.306 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.801 0.318 10.071 1.00 0.00 H new ATOM 226 N LEU A 17 2.936 -1.619 6.744 1.00 0.00 N ATOM 227 CA LEU A 17 2.275 -1.278 5.487 1.00 0.00 C ATOM 228 C LEU A 17 0.913 -1.961 5.365 1.00 0.00 C ATOM 229 O LEU A 17 -0.088 -1.321 5.038 1.00 0.00 O ATOM 230 CB LEU A 17 3.165 -1.683 4.312 1.00 0.00 C ATOM 231 CG LEU A 17 3.649 -0.535 3.425 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.756 0.755 4.219 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.988 -0.879 2.796 1.00 0.00 C ATOM 0 H LEU A 17 3.849 -2.058 6.628 1.00 0.00 H new ATOM 0 HA LEU A 17 2.111 -0.200 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.036 -2.209 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.617 -2.392 3.691 1.00 0.00 H new ATOM 0 HG LEU A 17 2.917 -0.388 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.102 1.556 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.778 1.014 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.465 0.621 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.318 -0.052 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.724 -1.055 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.884 -1.777 2.188 1.00 0.00 H new ATOM 245 N GLU A 18 0.884 -3.265 5.625 1.00 0.00 N ATOM 246 CA GLU A 18 -0.351 -4.036 5.548 1.00 0.00 C ATOM 247 C GLU A 18 -1.361 -3.524 6.563 1.00 0.00 C ATOM 248 O GLU A 18 -2.556 -3.451 6.284 1.00 0.00 O ATOM 249 CB GLU A 18 -0.075 -5.521 5.786 1.00 0.00 C ATOM 250 CG GLU A 18 -0.260 -6.379 4.544 1.00 0.00 C ATOM 251 CD GLU A 18 -1.718 -6.570 4.175 1.00 0.00 C ATOM 252 OE1 GLU A 18 -2.354 -5.603 3.713 1.00 0.00 O ATOM 253 OE2 GLU A 18 -2.237 -7.695 4.348 1.00 0.00 O ATOM 0 H GLU A 18 1.704 -3.810 5.891 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.766 -3.915 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.945 -5.639 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.738 -5.884 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.265 -5.917 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.199 -7.354 4.709 1.00 0.00 H new ATOM 260 N TYR A 19 -0.867 -3.158 7.739 1.00 0.00 N ATOM 261 CA TYR A 19 -1.714 -2.587 8.777 1.00 0.00 C ATOM 262 C TYR A 19 -2.334 -1.282 8.287 1.00 0.00 C ATOM 263 O TYR A 19 -3.537 -1.066 8.428 1.00 0.00 O ATOM 264 CB TYR A 19 -0.905 -2.340 10.055 1.00 0.00 C ATOM 265 CG TYR A 19 -1.760 -2.109 11.282 1.00 0.00 C ATOM 266 CD1 TYR A 19 -2.355 -3.171 11.949 1.00 0.00 C ATOM 267 CD2 TYR A 19 -1.969 -0.826 11.774 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.138 -2.963 13.070 1.00 0.00 C ATOM 269 CE2 TYR A 19 -2.750 -0.610 12.892 1.00 0.00 C ATOM 270 CZ TYR A 19 -3.332 -1.680 13.539 1.00 0.00 C ATOM 271 OH TYR A 19 -4.114 -1.465 14.655 1.00 0.00 O ATOM 0 H TYR A 19 0.116 -3.247 7.997 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.511 -3.295 9.004 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.254 -3.196 10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.260 -1.474 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.204 -4.177 11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.513 0.016 11.274 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.595 -3.801 13.576 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.905 0.394 13.259 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.797 -0.668 15.128 1.00 0.00 H new ATOM 281 N ASN A 20 -1.503 -0.422 7.705 1.00 0.00 N ATOM 282 CA ASN A 20 -1.963 0.848 7.147 1.00 0.00 C ATOM 283 C ASN A 20 -3.031 0.631 6.081 1.00 0.00 C ATOM 284 O ASN A 20 -4.118 1.193 6.166 1.00 0.00 O ATOM 285 CB ASN A 20 -0.793 1.632 6.542 1.00 0.00 C ATOM 286 CG ASN A 20 0.280 1.992 7.553 1.00 0.00 C ATOM 287 OD1 ASN A 20 1.443 2.173 7.195 1.00 0.00 O ATOM 288 ND2 ASN A 20 -0.096 2.098 8.818 1.00 0.00 N ATOM 0 H ASN A 20 -0.501 -0.582 7.607 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.397 1.422 7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.345 1.042 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.175 2.546 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.589 2.337 9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.070 1.940 9.075 1.00 0.00 H new ATOM 295 N PHE A 21 -2.722 -0.201 5.093 1.00 0.00 N ATOM 296 CA PHE A 21 -3.634 -0.462 3.981 1.00 0.00 C ATOM 297 C PHE A 21 -4.944 -1.076 4.473 1.00 0.00 C ATOM 298 O PHE A 21 -6.028 -0.681 4.040 1.00 0.00 O ATOM 299 CB PHE A 21 -2.953 -1.386 2.962 1.00 0.00 C ATOM 300 CG PHE A 21 -3.736 -1.617 1.693 1.00 0.00 C ATOM 301 CD1 PHE A 21 -4.752 -2.563 1.640 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.442 -0.896 0.547 1.00 0.00 C ATOM 303 CE1 PHE A 21 -5.459 -2.777 0.471 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.146 -1.106 -0.623 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.154 -2.049 -0.662 1.00 0.00 C ATOM 0 H PHE A 21 -1.840 -0.711 5.038 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.876 0.486 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.983 -0.963 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.764 -2.349 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.992 -3.138 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.652 -0.160 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.249 -3.513 0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.908 -0.533 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.703 -2.217 -1.577 1.00 0.00 H new ATOM 315 N ASN A 22 -4.845 -2.028 5.389 1.00 0.00 N ATOM 316 CA ASN A 22 -6.024 -2.721 5.898 1.00 0.00 C ATOM 317 C ASN A 22 -6.883 -1.793 6.753 1.00 0.00 C ATOM 318 O ASN A 22 -8.110 -1.834 6.686 1.00 0.00 O ATOM 319 CB ASN A 22 -5.612 -3.952 6.709 1.00 0.00 C ATOM 320 CG ASN A 22 -5.877 -5.248 5.968 1.00 0.00 C ATOM 321 OD1 ASN A 22 -6.953 -5.836 6.081 1.00 0.00 O ATOM 322 ND2 ASN A 22 -4.896 -5.702 5.203 1.00 0.00 N ATOM 0 H ASN A 22 -3.963 -2.339 5.796 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.618 -3.043 5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.551 -3.886 6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.155 -3.959 7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.017 -6.569 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.020 -5.184 5.137 1.00 0.00 H new ATOM 329 N LYS A 23 -6.234 -0.940 7.539 1.00 0.00 N ATOM 330 CA LYS A 23 -6.941 -0.042 8.448 1.00 0.00 C ATOM 331 C LYS A 23 -7.411 1.227 7.739 1.00 0.00 C ATOM 332 O LYS A 23 -8.310 1.917 8.220 1.00 0.00 O ATOM 333 CB LYS A 23 -6.050 0.321 9.635 1.00 0.00 C ATOM 334 CG LYS A 23 -6.167 -0.652 10.796 1.00 0.00 C ATOM 335 CD LYS A 23 -6.257 0.079 12.124 1.00 0.00 C ATOM 336 CE LYS A 23 -7.072 -0.705 13.138 1.00 0.00 C ATOM 337 NZ LYS A 23 -6.689 -0.368 14.534 1.00 0.00 N ATOM 0 H LYS A 23 -5.218 -0.851 7.565 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.824 -0.569 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.012 0.357 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.309 1.322 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.050 -1.276 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.304 -1.318 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.254 0.249 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.710 1.059 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.132 -0.497 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.931 -1.773 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.364 -0.804 15.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.733 -0.728 14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.701 0.665 14.658 1.00 0.00 H new ATOM 351 N VAL A 24 -6.807 1.531 6.598 1.00 0.00 N ATOM 352 CA VAL A 24 -7.191 2.702 5.815 1.00 0.00 C ATOM 353 C VAL A 24 -8.445 2.421 5.006 1.00 0.00 C ATOM 354 O VAL A 24 -8.997 3.310 4.354 1.00 0.00 O ATOM 355 CB VAL A 24 -6.056 3.145 4.875 1.00 0.00 C ATOM 356 CG1 VAL A 24 -6.098 2.406 3.542 1.00 0.00 C ATOM 357 CG2 VAL A 24 -6.111 4.646 4.659 1.00 0.00 C ATOM 0 H VAL A 24 -6.048 0.983 6.192 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.393 3.511 6.517 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.111 2.889 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.279 2.750 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.997 1.335 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.048 2.605 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.303 4.947 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.069 4.915 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.001 5.156 5.616 1.00 0.00 H new ATOM 367 N ASN A 25 -8.871 1.168 5.067 1.00 0.00 N ATOM 368 CA ASN A 25 -10.071 0.695 4.379 1.00 0.00 C ATOM 369 C ASN A 25 -9.787 0.546 2.893 1.00 0.00 C ATOM 370 O ASN A 25 -10.539 1.042 2.051 1.00 0.00 O ATOM 371 CB ASN A 25 -11.278 1.632 4.600 1.00 0.00 C ATOM 372 CG ASN A 25 -11.584 1.885 6.067 1.00 0.00 C ATOM 373 OD1 ASN A 25 -12.290 1.110 6.713 1.00 0.00 O ATOM 374 ND2 ASN A 25 -11.057 2.979 6.600 1.00 0.00 N ATOM 0 H ASN A 25 -8.392 0.442 5.599 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.334 -0.274 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.084 2.585 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.157 1.199 4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.231 3.204 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.477 3.595 6.030 1.00 0.00 H new ATOM 381 N LYS A 26 -8.665 -0.118 2.591 1.00 0.00 N ATOM 382 CA LYS A 26 -8.254 -0.438 1.220 1.00 0.00 C ATOM 383 C LYS A 26 -7.750 0.796 0.470 1.00 0.00 C ATOM 384 O LYS A 26 -6.630 0.802 -0.031 1.00 0.00 O ATOM 385 CB LYS A 26 -9.389 -1.113 0.435 1.00 0.00 C ATOM 386 CG LYS A 26 -9.983 -2.321 1.146 1.00 0.00 C ATOM 387 CD LYS A 26 -10.062 -3.539 0.236 1.00 0.00 C ATOM 388 CE LYS A 26 -11.497 -3.849 -0.169 1.00 0.00 C ATOM 389 NZ LYS A 26 -12.406 -3.958 1.006 1.00 0.00 N ATOM 0 H LYS A 26 -8.011 -0.451 3.299 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.425 -1.142 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.178 -0.384 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.012 -1.424 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.378 -2.561 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.981 -2.074 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.462 -3.365 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.633 -4.402 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.861 -3.067 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.520 -4.783 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.165 -4.637 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.867 -4.286 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.822 -3.027 1.211 1.00 0.00 H new ATOM 403 N HIS A 27 -8.567 1.838 0.397 1.00 0.00 N ATOM 404 CA HIS A 27 -8.212 3.035 -0.359 1.00 0.00 C ATOM 405 C HIS A 27 -7.454 4.039 0.504 1.00 0.00 C ATOM 406 O HIS A 27 -8.023 4.646 1.412 1.00 0.00 O ATOM 407 CB HIS A 27 -9.468 3.696 -0.932 1.00 0.00 C ATOM 408 CG HIS A 27 -9.229 4.408 -2.229 1.00 0.00 C ATOM 409 ND1 HIS A 27 -8.744 5.697 -2.308 1.00 0.00 N ATOM 410 CD2 HIS A 27 -9.410 3.999 -3.506 1.00 0.00 C ATOM 411 CE1 HIS A 27 -8.636 6.047 -3.576 1.00 0.00 C ATOM 412 NE2 HIS A 27 -9.036 5.034 -4.327 1.00 0.00 N ATOM 0 H HIS A 27 -9.479 1.880 0.851 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.560 2.724 -1.175 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.234 2.935 -1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.860 4.406 -0.204 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.781 3.035 -3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.281 7.000 -3.939 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.062 5.024 -5.347 1.00 0.00 H new ATOM 421 N PRO A 28 -6.160 4.237 0.223 1.00 0.00 N ATOM 422 CA PRO A 28 -5.339 5.204 0.941 1.00 0.00 C ATOM 423 C PRO A 28 -5.529 6.622 0.410 1.00 0.00 C ATOM 424 O PRO A 28 -5.930 6.817 -0.739 1.00 0.00 O ATOM 425 CB PRO A 28 -3.922 4.712 0.670 1.00 0.00 C ATOM 426 CG PRO A 28 -3.996 4.093 -0.684 1.00 0.00 C ATOM 427 CD PRO A 28 -5.392 3.539 -0.825 1.00 0.00 C ATOM 0 HA PRO A 28 -5.591 5.263 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.205 5.533 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.602 3.989 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.791 4.831 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.252 3.303 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.801 3.734 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.409 2.459 -0.680 1.00 0.00 H new ATOM 435 N ASP A 29 -5.249 7.604 1.249 1.00 0.00 N ATOM 436 CA ASP A 29 -5.376 9.003 0.865 1.00 0.00 C ATOM 437 C ASP A 29 -4.000 9.656 0.829 1.00 0.00 C ATOM 438 O ASP A 29 -3.055 9.136 1.426 1.00 0.00 O ATOM 439 CB ASP A 29 -6.268 9.742 1.868 1.00 0.00 C ATOM 440 CG ASP A 29 -7.604 10.154 1.283 1.00 0.00 C ATOM 441 OD1 ASP A 29 -7.871 9.846 0.102 1.00 0.00 O ATOM 442 OD2 ASP A 29 -8.395 10.788 2.008 1.00 0.00 O ATOM 0 H ASP A 29 -4.930 7.459 2.207 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.828 9.058 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.439 9.102 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.745 10.629 2.225 1.00 0.00 H new ATOM 447 N PRO A 30 -3.858 10.793 0.127 1.00 0.00 N ATOM 448 CA PRO A 30 -2.605 11.556 0.114 1.00 0.00 C ATOM 449 C PRO A 30 -2.164 11.928 1.528 1.00 0.00 C ATOM 450 O PRO A 30 -0.976 11.930 1.846 1.00 0.00 O ATOM 451 CB PRO A 30 -2.959 12.813 -0.684 1.00 0.00 C ATOM 452 CG PRO A 30 -4.104 12.408 -1.539 1.00 0.00 C ATOM 453 CD PRO A 30 -4.885 11.413 -0.731 1.00 0.00 C ATOM 0 HA PRO A 30 -1.778 10.990 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.230 13.637 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.115 13.150 -1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.720 13.268 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.758 11.967 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.664 11.896 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.377 10.676 -1.366 1.00 0.00 H new ATOM 461 N THR A 31 -3.143 12.228 2.373 1.00 0.00 N ATOM 462 CA THR A 31 -2.890 12.530 3.772 1.00 0.00 C ATOM 463 C THR A 31 -2.331 11.307 4.495 1.00 0.00 C ATOM 464 O THR A 31 -1.397 11.416 5.290 1.00 0.00 O ATOM 465 CB THR A 31 -4.186 12.987 4.466 1.00 0.00 C ATOM 466 OG1 THR A 31 -5.261 13.001 3.513 1.00 0.00 O ATOM 467 CG2 THR A 31 -4.021 14.370 5.080 1.00 0.00 C ATOM 0 H THR A 31 -4.127 12.268 2.108 1.00 0.00 H new ATOM 0 HA THR A 31 -2.156 13.334 3.815 1.00 0.00 H new ATOM 0 HB THR A 31 -4.414 12.285 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.086 13.290 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.952 14.667 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.220 14.347 5.819 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.773 15.088 4.298 1.00 0.00 H new ATOM 475 N THR A 32 -2.895 10.140 4.195 1.00 0.00 N ATOM 476 CA THR A 32 -2.454 8.896 4.796 1.00 0.00 C ATOM 477 C THR A 32 -1.005 8.612 4.445 1.00 0.00 C ATOM 478 O THR A 32 -0.197 8.326 5.324 1.00 0.00 O ATOM 479 CB THR A 32 -3.315 7.715 4.318 1.00 0.00 C ATOM 480 OG1 THR A 32 -4.641 8.167 4.024 1.00 0.00 O ATOM 481 CG2 THR A 32 -3.358 6.614 5.365 1.00 0.00 C ATOM 0 H THR A 32 -3.664 10.036 3.533 1.00 0.00 H new ATOM 0 HA THR A 32 -2.556 9.006 5.876 1.00 0.00 H new ATOM 0 HB THR A 32 -2.865 7.306 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.278 7.440 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.973 5.791 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.347 6.254 5.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.785 7.006 6.288 1.00 0.00 H new ATOM 489 N LEU A 33 -0.682 8.736 3.162 1.00 0.00 N ATOM 490 CA LEU A 33 0.645 8.398 2.662 1.00 0.00 C ATOM 491 C LEU A 33 1.727 9.157 3.418 1.00 0.00 C ATOM 492 O LEU A 33 2.773 8.602 3.731 1.00 0.00 O ATOM 493 CB LEU A 33 0.745 8.696 1.165 1.00 0.00 C ATOM 494 CG LEU A 33 -0.056 7.760 0.255 1.00 0.00 C ATOM 495 CD1 LEU A 33 -0.075 8.288 -1.174 1.00 0.00 C ATOM 496 CD2 LEU A 33 0.520 6.352 0.297 1.00 0.00 C ATOM 0 H LEU A 33 -1.326 9.070 2.445 1.00 0.00 H new ATOM 0 HA LEU A 33 0.800 7.331 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.410 9.719 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.794 8.651 0.872 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.082 7.722 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.649 7.609 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.536 9.276 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.946 8.357 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.062 5.701 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.556 6.372 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.479 5.972 1.318 1.00 0.00 H new ATOM 508 N CYS A 34 1.457 10.416 3.730 1.00 0.00 N ATOM 509 CA CYS A 34 2.411 11.234 4.460 1.00 0.00 C ATOM 510 C CYS A 34 2.569 10.750 5.902 1.00 0.00 C ATOM 511 O CYS A 34 3.687 10.506 6.365 1.00 0.00 O ATOM 512 CB CYS A 34 1.965 12.694 4.448 1.00 0.00 C ATOM 513 SG CYS A 34 3.304 13.880 4.690 1.00 0.00 S ATOM 0 H CYS A 34 0.587 10.891 3.489 1.00 0.00 H new ATOM 0 HA CYS A 34 3.378 11.146 3.965 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.476 12.905 3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.219 12.841 5.229 1.00 0.00 H new ATOM 0 HG CYS A 34 2.824 15.088 4.661 1.00 0.00 H new ATOM 519 N LEU A 35 1.451 10.585 6.603 1.00 0.00 N ATOM 520 CA LEU A 35 1.491 10.262 8.027 1.00 0.00 C ATOM 521 C LEU A 35 1.979 8.835 8.272 1.00 0.00 C ATOM 522 O LEU A 35 2.688 8.576 9.248 1.00 0.00 O ATOM 523 CB LEU A 35 0.120 10.497 8.684 1.00 0.00 C ATOM 524 CG LEU A 35 -0.917 9.380 8.515 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.051 8.576 9.800 1.00 0.00 C ATOM 526 CD2 LEU A 35 -2.263 9.965 8.115 1.00 0.00 C ATOM 0 H LEU A 35 0.512 10.669 6.213 1.00 0.00 H new ATOM 0 HA LEU A 35 2.211 10.935 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.276 10.660 9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.300 11.417 8.278 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.578 8.711 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.791 7.788 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.089 8.130 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.369 9.234 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.989 9.161 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.605 10.653 8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.161 10.501 7.171 1.00 0.00 H new ATOM 538 N ILE A 36 1.617 7.911 7.391 1.00 0.00 N ATOM 539 CA ILE A 36 2.022 6.519 7.556 1.00 0.00 C ATOM 540 C ILE A 36 3.485 6.330 7.174 1.00 0.00 C ATOM 541 O ILE A 36 4.194 5.544 7.794 1.00 0.00 O ATOM 542 CB ILE A 36 1.135 5.545 6.745 1.00 0.00 C ATOM 543 CG1 ILE A 36 1.312 5.761 5.236 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.323 5.703 7.156 1.00 0.00 C ATOM 545 CD1 ILE A 36 0.285 5.045 4.385 1.00 0.00 C ATOM 0 H ILE A 36 1.050 8.096 6.563 1.00 0.00 H new ATOM 0 HA ILE A 36 1.892 6.281 8.612 1.00 0.00 H new ATOM 0 HB ILE A 36 1.449 4.525 6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.263 6.829 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.307 5.424 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.940 5.014 6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.427 5.483 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.646 6.726 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.479 5.248 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.348 3.972 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.713 5.398 4.645 1.00 0.00 H new ATOM 557 N ALA A 37 3.942 7.069 6.169 1.00 0.00 N ATOM 558 CA ALA A 37 5.334 6.994 5.748 1.00 0.00 C ATOM 559 C ALA A 37 6.247 7.511 6.850 1.00 0.00 C ATOM 560 O ALA A 37 7.280 6.914 7.149 1.00 0.00 O ATOM 561 CB ALA A 37 5.548 7.781 4.465 1.00 0.00 C ATOM 0 H ALA A 37 3.371 7.723 5.634 1.00 0.00 H new ATOM 0 HA ALA A 37 5.581 5.950 5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.594 7.713 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.918 7.369 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.285 8.826 4.631 1.00 0.00 H new ATOM 567 N ALA A 38 5.847 8.617 7.463 1.00 0.00 N ATOM 568 CA ALA A 38 6.592 9.196 8.572 1.00 0.00 C ATOM 569 C ALA A 38 6.614 8.246 9.766 1.00 0.00 C ATOM 570 O ALA A 38 7.670 7.983 10.345 1.00 0.00 O ATOM 571 CB ALA A 38 5.988 10.534 8.969 1.00 0.00 C ATOM 0 H ALA A 38 5.005 9.134 7.209 1.00 0.00 H new ATOM 0 HA ALA A 38 7.620 9.357 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.554 10.957 9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.025 11.216 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.951 10.389 9.273 1.00 0.00 H new ATOM 577 N GLU A 39 5.446 7.714 10.111 1.00 0.00 N ATOM 578 CA GLU A 39 5.311 6.819 11.256 1.00 0.00 C ATOM 579 C GLU A 39 6.092 5.524 11.048 1.00 0.00 C ATOM 580 O GLU A 39 6.692 4.994 11.982 1.00 0.00 O ATOM 581 CB GLU A 39 3.838 6.502 11.505 1.00 0.00 C ATOM 582 CG GLU A 39 3.359 6.900 12.889 1.00 0.00 C ATOM 583 CD GLU A 39 2.375 5.910 13.476 1.00 0.00 C ATOM 584 OE1 GLU A 39 2.385 4.735 13.060 1.00 0.00 O ATOM 585 OE2 GLU A 39 1.588 6.302 14.360 1.00 0.00 O ATOM 0 H GLU A 39 4.574 7.888 9.611 1.00 0.00 H new ATOM 0 HA GLU A 39 5.725 7.328 12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.233 7.016 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.676 5.433 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.218 6.990 13.554 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.892 7.883 12.838 1.00 0.00 H new ATOM 592 N ALA A 40 6.079 5.017 9.822 1.00 0.00 N ATOM 593 CA ALA A 40 6.759 3.767 9.509 1.00 0.00 C ATOM 594 C ALA A 40 8.251 3.985 9.276 1.00 0.00 C ATOM 595 O ALA A 40 9.050 3.055 9.407 1.00 0.00 O ATOM 596 CB ALA A 40 6.122 3.118 8.291 1.00 0.00 C ATOM 0 H ALA A 40 5.606 5.451 9.029 1.00 0.00 H new ATOM 0 HA ALA A 40 6.652 3.102 10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.637 2.184 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.071 2.912 8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.200 3.791 7.437 1.00 0.00 H new ATOM 602 N GLY A 41 8.626 5.212 8.936 1.00 0.00 N ATOM 603 CA GLY A 41 10.016 5.511 8.645 1.00 0.00 C ATOM 604 C GLY A 41 10.382 5.131 7.227 1.00 0.00 C ATOM 605 O GLY A 41 11.514 4.721 6.948 1.00 0.00 O ATOM 0 H GLY A 41 7.992 6.007 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.199 6.575 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.658 4.974 9.343 1.00 0.00 H new ATOM 609 N LEU A 42 9.421 5.276 6.329 1.00 0.00 N ATOM 610 CA LEU A 42 9.568 4.867 4.962 1.00 0.00 C ATOM 611 C LEU A 42 9.245 6.054 4.047 1.00 0.00 C ATOM 612 O LEU A 42 8.502 6.950 4.446 1.00 0.00 O ATOM 613 CB LEU A 42 8.624 3.692 4.730 1.00 0.00 C ATOM 614 CG LEU A 42 8.268 3.434 3.289 1.00 0.00 C ATOM 615 CD1 LEU A 42 9.216 2.404 2.695 1.00 0.00 C ATOM 616 CD2 LEU A 42 6.829 2.970 3.168 1.00 0.00 C ATOM 0 H LEU A 42 8.512 5.686 6.542 1.00 0.00 H new ATOM 0 HA LEU A 42 10.587 4.551 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.081 2.792 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.705 3.868 5.289 1.00 0.00 H new ATOM 0 HG LEU A 42 8.370 4.365 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.951 2.224 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.239 2.777 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.139 1.472 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.592 2.789 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.695 2.048 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.164 3.738 3.563 1.00 0.00 H new ATOM 628 N THR A 43 9.811 6.086 2.846 1.00 0.00 N ATOM 629 CA THR A 43 9.626 7.234 1.969 1.00 0.00 C ATOM 630 C THR A 43 8.363 7.111 1.123 1.00 0.00 C ATOM 631 O THR A 43 7.916 6.007 0.808 1.00 0.00 O ATOM 632 CB THR A 43 10.829 7.448 1.038 1.00 0.00 C ATOM 633 OG1 THR A 43 11.471 6.203 0.754 1.00 0.00 O ATOM 634 CG2 THR A 43 11.828 8.411 1.658 1.00 0.00 C ATOM 0 H THR A 43 10.393 5.342 2.462 1.00 0.00 H new ATOM 0 HA THR A 43 9.529 8.096 2.629 1.00 0.00 H new ATOM 0 HB THR A 43 10.460 7.878 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.308 6.143 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.671 8.547 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.345 9.372 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.185 8.005 2.605 1.00 0.00 H new ATOM 642 N GLU A 44 7.830 8.270 0.740 1.00 0.00 N ATOM 643 CA GLU A 44 6.568 8.388 0.009 1.00 0.00 C ATOM 644 C GLU A 44 6.514 7.497 -1.231 1.00 0.00 C ATOM 645 O GLU A 44 5.513 6.818 -1.473 1.00 0.00 O ATOM 646 CB GLU A 44 6.376 9.839 -0.416 1.00 0.00 C ATOM 647 CG GLU A 44 5.727 10.712 0.645 1.00 0.00 C ATOM 648 CD GLU A 44 5.335 12.072 0.109 1.00 0.00 C ATOM 649 OE1 GLU A 44 4.587 12.129 -0.891 1.00 0.00 O ATOM 650 OE2 GLU A 44 5.783 13.093 0.673 1.00 0.00 O ATOM 0 H GLU A 44 8.270 9.170 0.932 1.00 0.00 H new ATOM 0 HA GLU A 44 5.773 8.061 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.346 10.262 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.764 9.865 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.842 10.209 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.416 10.838 1.480 1.00 0.00 H new ATOM 657 N GLU A 45 7.588 7.520 -2.017 1.00 0.00 N ATOM 658 CA GLU A 45 7.649 6.771 -3.269 1.00 0.00 C ATOM 659 C GLU A 45 7.366 5.290 -3.044 1.00 0.00 C ATOM 660 O GLU A 45 6.633 4.660 -3.811 1.00 0.00 O ATOM 661 CB GLU A 45 9.021 6.945 -3.924 1.00 0.00 C ATOM 662 CG GLU A 45 9.102 8.150 -4.848 1.00 0.00 C ATOM 663 CD GLU A 45 8.180 8.029 -6.044 1.00 0.00 C ATOM 664 OE1 GLU A 45 8.378 7.117 -6.868 1.00 0.00 O ATOM 665 OE2 GLU A 45 7.251 8.850 -6.170 1.00 0.00 O ATOM 0 H GLU A 45 8.432 8.053 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 45 6.880 7.167 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.777 7.043 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.261 6.045 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.849 9.050 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.128 8.269 -5.195 1.00 0.00 H new ATOM 672 N GLN A 46 7.932 4.749 -1.978 1.00 0.00 N ATOM 673 CA GLN A 46 7.787 3.335 -1.670 1.00 0.00 C ATOM 674 C GLN A 46 6.378 3.027 -1.175 1.00 0.00 C ATOM 675 O GLN A 46 5.777 2.035 -1.588 1.00 0.00 O ATOM 676 CB GLN A 46 8.818 2.908 -0.632 1.00 0.00 C ATOM 677 CG GLN A 46 10.214 3.440 -0.913 1.00 0.00 C ATOM 678 CD GLN A 46 11.281 2.714 -0.122 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.473 1.509 -0.281 1.00 0.00 O ATOM 680 NE2 GLN A 46 11.979 3.437 0.736 1.00 0.00 N ATOM 0 H GLN A 46 8.499 5.270 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 46 7.958 2.770 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.497 3.253 0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.853 1.819 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.428 3.345 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.249 4.503 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.788 4.434 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.709 2.998 1.297 1.00 0.00 H new ATOM 689 N THR A 47 5.852 3.880 -0.297 1.00 0.00 N ATOM 690 CA THR A 47 4.505 3.703 0.228 1.00 0.00 C ATOM 691 C THR A 47 3.480 3.703 -0.901 1.00 0.00 C ATOM 692 O THR A 47 2.629 2.818 -0.984 1.00 0.00 O ATOM 693 CB THR A 47 4.147 4.816 1.237 1.00 0.00 C ATOM 694 OG1 THR A 47 5.319 5.570 1.569 1.00 0.00 O ATOM 695 CG2 THR A 47 3.542 4.236 2.507 1.00 0.00 C ATOM 0 H THR A 47 6.341 4.699 0.064 1.00 0.00 H new ATOM 0 HA THR A 47 4.481 2.741 0.739 1.00 0.00 H new ATOM 0 HB THR A 47 3.409 5.467 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.476 5.522 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.301 5.044 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.633 3.687 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.258 3.560 2.975 1.00 0.00 H new ATOM 703 N GLN A 48 3.587 4.687 -1.781 1.00 0.00 N ATOM 704 CA GLN A 48 2.649 4.834 -2.882 1.00 0.00 C ATOM 705 C GLN A 48 2.710 3.629 -3.826 1.00 0.00 C ATOM 706 O GLN A 48 1.683 3.166 -4.320 1.00 0.00 O ATOM 707 CB GLN A 48 2.929 6.150 -3.627 1.00 0.00 C ATOM 708 CG GLN A 48 3.181 5.998 -5.119 1.00 0.00 C ATOM 709 CD GLN A 48 2.155 6.733 -5.957 1.00 0.00 C ATOM 710 OE1 GLN A 48 1.238 6.127 -6.510 1.00 0.00 O ATOM 711 NE2 GLN A 48 2.304 8.044 -6.063 1.00 0.00 N ATOM 0 H GLN A 48 4.318 5.398 -1.753 1.00 0.00 H new ATOM 0 HA GLN A 48 1.636 4.871 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.082 6.820 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.796 6.630 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.176 6.374 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.169 4.940 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.078 8.509 -5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.645 8.589 -6.619 1.00 0.00 H new ATOM 720 N LYS A 49 3.913 3.109 -4.051 1.00 0.00 N ATOM 721 CA LYS A 49 4.098 1.981 -4.955 1.00 0.00 C ATOM 722 C LYS A 49 3.516 0.704 -4.360 1.00 0.00 C ATOM 723 O LYS A 49 2.782 -0.026 -5.031 1.00 0.00 O ATOM 724 CB LYS A 49 5.582 1.783 -5.267 1.00 0.00 C ATOM 725 CG LYS A 49 5.900 1.797 -6.752 1.00 0.00 C ATOM 726 CD LYS A 49 5.777 3.196 -7.336 1.00 0.00 C ATOM 727 CE LYS A 49 6.969 4.065 -6.967 1.00 0.00 C ATOM 728 NZ LYS A 49 7.276 5.070 -8.020 1.00 0.00 N ATOM 0 H LYS A 49 4.772 3.451 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 49 3.568 2.203 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.156 2.568 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.910 0.834 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.911 1.423 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.223 1.122 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.695 3.132 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.861 3.662 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.767 4.577 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.842 3.433 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.451 5.995 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.122 4.773 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.470 5.146 -8.673 1.00 0.00 H new ATOM 742 N TRP A 50 3.832 0.450 -3.096 1.00 0.00 N ATOM 743 CA TRP A 50 3.361 -0.749 -2.421 1.00 0.00 C ATOM 744 C TRP A 50 1.841 -0.732 -2.290 1.00 0.00 C ATOM 745 O TRP A 50 1.174 -1.726 -2.583 1.00 0.00 O ATOM 746 CB TRP A 50 4.017 -0.875 -1.041 1.00 0.00 C ATOM 747 CG TRP A 50 3.620 -2.118 -0.302 1.00 0.00 C ATOM 748 CD1 TRP A 50 4.283 -3.309 -0.277 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.460 -2.288 0.518 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.602 -4.209 0.508 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.478 -3.605 1.004 1.00 0.00 C ATOM 752 CE3 TRP A 50 1.409 -1.449 0.884 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.481 -4.103 1.836 1.00 0.00 C ATOM 754 CZ3 TRP A 50 0.422 -1.938 1.708 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.461 -3.257 2.178 1.00 0.00 C ATOM 0 H TRP A 50 4.412 1.059 -2.519 1.00 0.00 H new ATOM 0 HA TRP A 50 3.642 -1.615 -3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.100 -0.863 -1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.752 -0.005 -0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.207 -3.515 -0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.888 -5.171 0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.370 -0.431 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.511 -5.120 2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.396 -1.295 1.997 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.329 -3.613 2.823 1.00 0.00 H new ATOM 766 N PHE A 51 1.296 0.400 -1.854 1.00 0.00 N ATOM 767 CA PHE A 51 -0.147 0.532 -1.684 1.00 0.00 C ATOM 768 C PHE A 51 -0.851 0.349 -3.023 1.00 0.00 C ATOM 769 O PHE A 51 -1.912 -0.264 -3.097 1.00 0.00 O ATOM 770 CB PHE A 51 -0.506 1.897 -1.088 1.00 0.00 C ATOM 771 CG PHE A 51 -0.498 1.922 0.419 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.699 1.948 1.114 1.00 0.00 C ATOM 773 CD2 PHE A 51 -1.684 1.928 1.140 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.715 1.973 2.492 1.00 0.00 C ATOM 775 CE2 PHE A 51 -1.671 1.954 2.519 1.00 0.00 C ATOM 776 CZ PHE A 51 -0.471 1.977 3.195 1.00 0.00 C ATOM 0 H PHE A 51 1.829 1.236 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.480 -0.243 -0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.198 2.642 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.495 2.189 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.632 1.949 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.628 1.912 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.656 1.989 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.601 1.956 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.459 1.998 4.275 1.00 0.00 H new ATOM 786 N LYS A 52 -0.234 0.869 -4.082 1.00 0.00 N ATOM 787 CA LYS A 52 -0.781 0.746 -5.429 1.00 0.00 C ATOM 788 C LYS A 52 -0.826 -0.712 -5.872 1.00 0.00 C ATOM 789 O LYS A 52 -1.764 -1.133 -6.547 1.00 0.00 O ATOM 790 CB LYS A 52 0.056 1.559 -6.416 1.00 0.00 C ATOM 791 CG LYS A 52 -0.673 1.899 -7.709 1.00 0.00 C ATOM 792 CD LYS A 52 0.107 1.430 -8.927 1.00 0.00 C ATOM 793 CE LYS A 52 0.832 2.583 -9.602 1.00 0.00 C ATOM 794 NZ LYS A 52 1.603 2.137 -10.793 1.00 0.00 N ATOM 0 H LYS A 52 0.647 1.380 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.800 1.134 -5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.371 2.484 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.961 1.001 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.659 1.434 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.829 2.976 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.829 0.670 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.573 0.961 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.108 3.340 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.508 3.054 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.082 2.954 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.312 1.433 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.955 1.711 -11.486 1.00 0.00 H new ATOM 808 N GLN A 53 0.192 -1.478 -5.489 1.00 0.00 N ATOM 809 CA GLN A 53 0.249 -2.898 -5.814 1.00 0.00 C ATOM 810 C GLN A 53 -0.940 -3.626 -5.186 1.00 0.00 C ATOM 811 O GLN A 53 -1.582 -4.460 -5.824 1.00 0.00 O ATOM 812 CB GLN A 53 1.588 -3.494 -5.342 1.00 0.00 C ATOM 813 CG GLN A 53 1.466 -4.792 -4.555 1.00 0.00 C ATOM 814 CD GLN A 53 1.655 -6.020 -5.422 1.00 0.00 C ATOM 815 OE1 GLN A 53 2.590 -6.095 -6.222 1.00 0.00 O ATOM 816 NE2 GLN A 53 0.769 -6.984 -5.272 1.00 0.00 N ATOM 0 H GLN A 53 0.990 -1.137 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 53 0.188 -3.025 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.218 -3.672 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.100 -2.757 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.207 -4.799 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.485 -4.834 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.011 -6.880 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.841 -7.835 -5.830 1.00 0.00 H new ATOM 825 N ARG A 54 -1.249 -3.276 -3.944 1.00 0.00 N ATOM 826 CA ARG A 54 -2.361 -3.894 -3.237 1.00 0.00 C ATOM 827 C ARG A 54 -3.688 -3.363 -3.769 1.00 0.00 C ATOM 828 O ARG A 54 -4.694 -4.075 -3.778 1.00 0.00 O ATOM 829 CB ARG A 54 -2.249 -3.647 -1.731 1.00 0.00 C ATOM 830 CG ARG A 54 -0.877 -3.952 -1.166 1.00 0.00 C ATOM 831 CD ARG A 54 -0.810 -5.358 -0.585 1.00 0.00 C ATOM 832 NE ARG A 54 0.531 -5.939 -0.675 1.00 0.00 N ATOM 833 CZ ARG A 54 0.766 -7.244 -0.827 1.00 0.00 C ATOM 834 NH1 ARG A 54 -0.247 -8.093 -0.945 1.00 0.00 N ATOM 835 NH2 ARG A 54 2.011 -7.701 -0.861 1.00 0.00 N ATOM 0 H ARG A 54 -0.746 -2.569 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.323 -4.970 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.495 -2.606 -1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.989 -4.259 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.128 -3.846 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.632 -3.225 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.121 -5.331 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.516 -5.999 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 54 1.332 -5.310 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.207 -7.749 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.066 -9.090 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.794 -7.054 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.185 -8.699 -0.977 1.00 0.00 H new ATOM 849 N LEU A 55 -3.680 -2.112 -4.219 1.00 0.00 N ATOM 850 CA LEU A 55 -4.857 -1.514 -4.842 1.00 0.00 C ATOM 851 C LEU A 55 -5.189 -2.243 -6.137 1.00 0.00 C ATOM 852 O LEU A 55 -6.359 -2.440 -6.472 1.00 0.00 O ATOM 853 CB LEU A 55 -4.619 -0.031 -5.137 1.00 0.00 C ATOM 854 CG LEU A 55 -4.792 0.913 -3.945 1.00 0.00 C ATOM 855 CD1 LEU A 55 -4.664 2.359 -4.396 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.133 0.684 -3.264 1.00 0.00 C ATOM 0 H LEU A 55 -2.872 -1.492 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.693 -1.604 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.608 0.086 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.304 0.279 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.004 0.701 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.789 3.020 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.679 2.517 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.432 2.578 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.234 1.366 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.938 0.866 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.189 -0.345 -2.908 1.00 0.00 H new ATOM 868 N ALA A 56 -4.147 -2.631 -6.867 1.00 0.00 N ATOM 869 CA ALA A 56 -4.310 -3.425 -8.075 1.00 0.00 C ATOM 870 C ALA A 56 -5.010 -4.735 -7.745 1.00 0.00 C ATOM 871 O ALA A 56 -5.966 -5.122 -8.413 1.00 0.00 O ATOM 872 CB ALA A 56 -2.962 -3.684 -8.739 1.00 0.00 C ATOM 0 H ALA A 56 -3.178 -2.406 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.927 -2.867 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.109 -4.279 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.498 -2.734 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.314 -4.224 -8.049 1.00 0.00 H new ATOM 878 N GLU A 57 -4.544 -5.395 -6.689 1.00 0.00 N ATOM 879 CA GLU A 57 -5.156 -6.635 -6.227 1.00 0.00 C ATOM 880 C GLU A 57 -6.620 -6.409 -5.860 1.00 0.00 C ATOM 881 O GLU A 57 -7.491 -7.196 -6.234 1.00 0.00 O ATOM 882 CB GLU A 57 -4.404 -7.186 -5.014 1.00 0.00 C ATOM 883 CG GLU A 57 -2.932 -7.450 -5.275 1.00 0.00 C ATOM 884 CD GLU A 57 -2.171 -7.741 -4.000 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.410 -8.808 -3.394 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.345 -6.905 -3.592 1.00 0.00 O ATOM 0 H GLU A 57 -3.743 -5.090 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.102 -7.359 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.496 -6.480 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.879 -8.113 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.831 -8.294 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.491 -6.585 -5.770 1.00 0.00 H new ATOM 893 N TRP A 58 -6.882 -5.328 -5.132 1.00 0.00 N ATOM 894 CA TRP A 58 -8.240 -4.965 -4.742 1.00 0.00 C ATOM 895 C TRP A 58 -9.123 -4.788 -5.980 1.00 0.00 C ATOM 896 O TRP A 58 -10.220 -5.341 -6.054 1.00 0.00 O ATOM 897 CB TRP A 58 -8.207 -3.686 -3.881 1.00 0.00 C ATOM 898 CG TRP A 58 -9.426 -2.813 -3.986 1.00 0.00 C ATOM 899 CD1 TRP A 58 -10.679 -3.087 -3.511 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.505 -1.512 -4.589 1.00 0.00 C ATOM 901 NE1 TRP A 58 -11.529 -2.042 -3.791 1.00 0.00 N ATOM 902 CE2 TRP A 58 -10.832 -1.066 -4.452 1.00 0.00 C ATOM 903 CE3 TRP A 58 -8.586 -0.687 -5.238 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.258 0.170 -4.932 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -9.010 0.539 -5.714 1.00 0.00 C ATOM 906 CH2 TRP A 58 -10.336 0.955 -5.562 1.00 0.00 C ATOM 0 H TRP A 58 -6.165 -4.684 -4.798 1.00 0.00 H new ATOM 0 HA TRP A 58 -8.673 -5.768 -4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -8.074 -3.973 -2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.334 -3.099 -4.164 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.960 -3.991 -2.992 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -12.518 -2.001 -3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.561 -1.001 -5.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.281 0.496 -4.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -8.304 1.187 -6.212 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.637 1.917 -5.951 1.00 0.00 H new ATOM 917 N ARG A 59 -8.620 -4.049 -6.962 1.00 0.00 N ATOM 918 CA ARG A 59 -9.358 -3.805 -8.198 1.00 0.00 C ATOM 919 C ARG A 59 -9.590 -5.104 -8.964 1.00 0.00 C ATOM 920 O ARG A 59 -10.662 -5.318 -9.528 1.00 0.00 O ATOM 921 CB ARG A 59 -8.606 -2.806 -9.075 1.00 0.00 C ATOM 922 CG ARG A 59 -9.051 -1.369 -8.874 1.00 0.00 C ATOM 923 CD ARG A 59 -9.336 -0.684 -10.200 1.00 0.00 C ATOM 924 NE ARG A 59 -9.919 0.643 -10.010 1.00 0.00 N ATOM 925 CZ ARG A 59 -9.229 1.780 -10.099 1.00 0.00 C ATOM 926 NH1 ARG A 59 -7.939 1.764 -10.414 1.00 0.00 N ATOM 927 NH2 ARG A 59 -9.835 2.941 -9.871 1.00 0.00 N ATOM 0 H ARG A 59 -7.702 -3.607 -6.927 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.329 -3.387 -7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.539 -2.881 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.744 -3.078 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.946 -1.348 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.278 -0.819 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.411 -0.597 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.017 -1.299 -10.788 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.915 0.703 -9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.468 0.877 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.419 2.639 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.826 2.960 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.309 3.813 -9.938 1.00 0.00 H new ATOM 941 N ARG A 60 -8.579 -5.966 -8.974 1.00 0.00 N ATOM 942 CA ARG A 60 -8.662 -7.256 -9.657 1.00 0.00 C ATOM 943 C ARG A 60 -9.730 -8.140 -9.032 1.00 0.00 C ATOM 944 O ARG A 60 -10.641 -8.619 -9.713 1.00 0.00 O ATOM 945 CB ARG A 60 -7.318 -7.977 -9.587 1.00 0.00 C ATOM 946 CG ARG A 60 -6.241 -7.351 -10.449 1.00 0.00 C ATOM 947 CD ARG A 60 -5.605 -8.373 -11.380 1.00 0.00 C ATOM 948 NE ARG A 60 -6.607 -9.117 -12.139 1.00 0.00 N ATOM 949 CZ ARG A 60 -6.986 -10.362 -11.865 1.00 0.00 C ATOM 950 NH1 ARG A 60 -6.362 -11.058 -10.926 1.00 0.00 N ATOM 951 NH2 ARG A 60 -7.974 -10.916 -12.551 1.00 0.00 N ATOM 0 H ARG A 60 -7.685 -5.794 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.926 -7.063 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.978 -7.992 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.457 -9.014 -9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.670 -6.540 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.474 -6.911 -9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.930 -7.865 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.001 -9.068 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.046 -8.650 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.588 -10.639 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.656 -12.013 -10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.442 -10.388 -13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.267 -11.871 -12.343 1.00 0.00 H new ATOM 965 N SER A 61 -9.601 -8.348 -7.732 1.00 0.00 N ATOM 966 CA SER A 61 -10.506 -9.220 -6.987 1.00 0.00 C ATOM 967 C SER A 61 -11.957 -8.752 -7.091 1.00 0.00 C ATOM 968 O SER A 61 -12.847 -9.542 -7.408 1.00 0.00 O ATOM 969 CB SER A 61 -10.083 -9.290 -5.517 1.00 0.00 C ATOM 970 OG SER A 61 -8.674 -9.411 -5.397 1.00 0.00 O ATOM 0 H SER A 61 -8.871 -7.921 -7.162 1.00 0.00 H new ATOM 0 HA SER A 61 -10.444 -10.214 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.420 -8.394 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.567 -10.140 -5.036 1.00 0.00 H new ATOM 0 HG SER A 61 -8.265 -8.521 -5.430 1.00 0.00 H new ATOM 976 N GLU A 62 -12.185 -7.468 -6.840 1.00 0.00 N ATOM 977 CA GLU A 62 -13.531 -6.913 -6.869 1.00 0.00 C ATOM 978 C GLU A 62 -14.056 -6.814 -8.299 1.00 0.00 C ATOM 979 O GLU A 62 -15.256 -6.967 -8.546 1.00 0.00 O ATOM 980 CB GLU A 62 -13.547 -5.532 -6.212 1.00 0.00 C ATOM 981 CG GLU A 62 -13.256 -5.560 -4.719 1.00 0.00 C ATOM 982 CD GLU A 62 -14.309 -4.835 -3.909 1.00 0.00 C ATOM 983 OE1 GLU A 62 -14.897 -3.863 -4.422 1.00 0.00 O ATOM 984 OE2 GLU A 62 -14.559 -5.236 -2.753 1.00 0.00 O ATOM 0 H GLU A 62 -11.455 -6.793 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.183 -7.585 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.811 -4.897 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.523 -5.074 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.194 -6.595 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.283 -5.106 -4.533 1.00 0.00 H new ATOM 991 N GLY A 63 -13.155 -6.558 -9.238 1.00 0.00 N ATOM 992 CA GLY A 63 -13.553 -6.393 -10.621 1.00 0.00 C ATOM 993 C GLY A 63 -14.249 -5.068 -10.842 1.00 0.00 C ATOM 994 O GLY A 63 -15.345 -5.014 -11.397 1.00 0.00 O ATOM 0 H GLY A 63 -12.154 -6.462 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.675 -6.456 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.218 -7.207 -10.909 1.00 0.00 H new ATOM 998 N LEU A 64 -13.618 -3.997 -10.386 1.00 0.00 N ATOM 999 CA LEU A 64 -14.201 -2.670 -10.487 1.00 0.00 C ATOM 1000 C LEU A 64 -13.311 -1.754 -11.323 1.00 0.00 C ATOM 1001 O LEU A 64 -12.083 -1.882 -11.306 1.00 0.00 O ATOM 1002 CB LEU A 64 -14.420 -2.086 -9.088 1.00 0.00 C ATOM 1003 CG LEU A 64 -13.200 -1.418 -8.463 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -13.550 -0.017 -8.003 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -12.677 -2.245 -7.304 1.00 0.00 C ATOM 0 H LEU A 64 -12.700 -4.022 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.167 -2.748 -10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.227 -1.356 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.755 -2.885 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.415 -1.351 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.671 0.450 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.882 0.574 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.349 -0.066 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.806 -1.753 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.454 -2.342 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.394 -3.235 -7.662 1.00 0.00 H new ATOM 1017 N PRO A 65 -13.921 -0.836 -12.087 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.193 0.130 -12.897 1.00 0.00 C ATOM 1019 C PRO A 65 -12.878 1.415 -12.129 1.00 0.00 C ATOM 1020 O PRO A 65 -12.697 1.397 -10.908 1.00 0.00 O ATOM 1021 CB PRO A 65 -14.173 0.399 -14.039 1.00 0.00 C ATOM 1022 CG PRO A 65 -15.528 0.245 -13.428 1.00 0.00 C ATOM 1023 CD PRO A 65 -15.379 -0.679 -12.238 1.00 0.00 C ATOM 0 HA PRO A 65 -12.219 -0.237 -13.221 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.036 1.399 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.027 -0.305 -14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.922 1.212 -13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -16.231 -0.169 -14.151 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.829 -0.251 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.867 -1.638 -12.414 1.00 0.00 H new ATOM 1031 N SER A 66 -12.801 2.520 -12.853 1.00 0.00 N ATOM 1032 CA SER A 66 -12.578 3.824 -12.249 1.00 0.00 C ATOM 1033 C SER A 66 -13.805 4.703 -12.467 1.00 0.00 C ATOM 1034 O SER A 66 -14.581 4.949 -11.543 1.00 0.00 O ATOM 1035 CB SER A 66 -11.334 4.467 -12.863 1.00 0.00 C ATOM 1036 OG SER A 66 -11.024 3.862 -14.112 1.00 0.00 O ATOM 0 H SER A 66 -12.891 2.539 -13.869 1.00 0.00 H new ATOM 0 HA SER A 66 -12.417 3.712 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.501 5.535 -13.001 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.490 4.362 -12.182 1.00 0.00 H new ATOM 0 HG SER A 66 -10.227 4.286 -14.492 1.00 0.00 H new ATOM 1042 N GLU A 67 -13.987 5.155 -13.700 1.00 0.00 N ATOM 1043 CA GLU A 67 -15.176 5.901 -14.070 1.00 0.00 C ATOM 1044 C GLU A 67 -16.262 4.929 -14.530 1.00 0.00 C ATOM 1045 O GLU A 67 -16.021 3.721 -14.609 1.00 0.00 O ATOM 1046 CB GLU A 67 -14.849 6.904 -15.181 1.00 0.00 C ATOM 1047 CG GLU A 67 -15.675 8.178 -15.116 1.00 0.00 C ATOM 1048 CD GLU A 67 -15.174 9.155 -14.071 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -15.251 8.838 -12.868 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -14.713 10.252 -14.449 1.00 0.00 O ATOM 0 H GLU A 67 -13.323 5.016 -14.461 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.537 6.457 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.792 7.164 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.009 6.427 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.664 8.662 -16.093 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.712 7.922 -14.899 1.00 0.00 H new ATOM 1057 N CYS A 68 -17.440 5.451 -14.848 1.00 0.00 N ATOM 1058 CA CYS A 68 -18.568 4.618 -15.260 1.00 0.00 C ATOM 1059 C CYS A 68 -18.415 4.155 -16.711 1.00 0.00 C ATOM 1060 O CYS A 68 -19.188 4.542 -17.594 1.00 0.00 O ATOM 1061 CB CYS A 68 -19.871 5.390 -15.073 1.00 0.00 C ATOM 1062 SG CYS A 68 -19.863 6.482 -13.633 1.00 0.00 S ATOM 0 H CYS A 68 -17.642 6.451 -14.829 1.00 0.00 H new ATOM 0 HA CYS A 68 -18.589 3.726 -14.633 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -20.064 5.983 -15.967 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -20.693 4.681 -14.977 1.00 0.00 H new ATOM 0 HG CYS A 68 -21.004 7.099 -13.550 1.00 0.00 H new ATOM 1068 N ARG A 69 -17.401 3.342 -16.945 1.00 0.00 N ATOM 1069 CA ARG A 69 -17.138 2.780 -18.258 1.00 0.00 C ATOM 1070 C ARG A 69 -17.226 1.262 -18.187 1.00 0.00 C ATOM 1071 O ARG A 69 -17.611 0.711 -17.153 1.00 0.00 O ATOM 1072 CB ARG A 69 -15.752 3.206 -18.747 1.00 0.00 C ATOM 1073 CG ARG A 69 -15.783 4.152 -19.936 1.00 0.00 C ATOM 1074 CD ARG A 69 -14.390 4.374 -20.508 1.00 0.00 C ATOM 1075 NE ARG A 69 -13.407 4.693 -19.470 1.00 0.00 N ATOM 1076 CZ ARG A 69 -12.188 4.151 -19.403 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -11.782 3.297 -20.338 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -11.369 4.470 -18.408 1.00 0.00 N ATOM 0 H ARG A 69 -16.735 3.052 -16.229 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.882 3.150 -18.963 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.220 3.687 -17.926 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.184 2.316 -19.018 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.434 3.745 -20.709 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.209 5.108 -19.631 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.073 3.479 -21.043 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.423 5.185 -21.235 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.669 5.371 -18.754 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.402 3.054 -21.110 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.850 2.885 -20.283 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.670 5.131 -17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.439 4.054 -18.360 1.00 0.00 H new ATOM 1092 N SER A 70 -16.894 0.594 -19.284 1.00 0.00 N ATOM 1093 CA SER A 70 -16.842 -0.859 -19.310 1.00 0.00 C ATOM 1094 C SER A 70 -15.865 -1.373 -18.252 1.00 0.00 C ATOM 1095 O SER A 70 -14.874 -0.709 -17.939 1.00 0.00 O ATOM 1096 CB SER A 70 -16.417 -1.326 -20.700 1.00 0.00 C ATOM 1097 OG SER A 70 -16.370 -0.228 -21.604 1.00 0.00 O ATOM 0 H SER A 70 -16.656 1.039 -20.170 1.00 0.00 H new ATOM 0 HA SER A 70 -17.830 -1.259 -19.085 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.438 -1.802 -20.646 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.117 -2.077 -21.067 1.00 0.00 H new ATOM 0 HG SER A 70 -15.534 0.267 -21.474 1.00 0.00 H new ATOM 1103 N VAL A 71 -16.150 -2.549 -17.707 1.00 0.00 N ATOM 1104 CA VAL A 71 -15.365 -3.094 -16.611 1.00 0.00 C ATOM 1105 C VAL A 71 -13.915 -3.350 -17.026 1.00 0.00 C ATOM 1106 O VAL A 71 -13.638 -3.820 -18.132 1.00 0.00 O ATOM 1107 CB VAL A 71 -16.000 -4.390 -16.051 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -15.920 -5.533 -17.053 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -15.350 -4.783 -14.735 1.00 0.00 C ATOM 0 H VAL A 71 -16.922 -3.144 -18.009 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.362 -2.343 -15.821 1.00 0.00 H new ATOM 0 HB VAL A 71 -17.055 -4.186 -15.869 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.376 -6.425 -16.624 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.451 -5.256 -17.964 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.876 -5.737 -17.290 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.812 -5.696 -14.360 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.285 -4.953 -14.892 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.487 -3.982 -14.008 1.00 0.00 H new ATOM 1119 N THR A 72 -12.999 -3.023 -16.128 1.00 0.00 N ATOM 1120 CA THR A 72 -11.579 -3.202 -16.365 1.00 0.00 C ATOM 1121 C THR A 72 -11.155 -4.644 -16.095 1.00 0.00 C ATOM 1122 O THR A 72 -11.993 -5.490 -15.764 1.00 0.00 O ATOM 1123 CB THR A 72 -10.775 -2.260 -15.459 1.00 0.00 C ATOM 1124 OG1 THR A 72 -11.557 -1.934 -14.302 1.00 0.00 O ATOM 1125 CG2 THR A 72 -10.401 -0.984 -16.195 1.00 0.00 C ATOM 0 H THR A 72 -13.221 -2.626 -15.215 1.00 0.00 H new ATOM 0 HA THR A 72 -11.380 -2.969 -17.411 1.00 0.00 H new ATOM 0 HB THR A 72 -9.857 -2.765 -15.160 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.981 -1.926 -13.509 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.832 -0.334 -15.530 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.795 -1.231 -17.067 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.307 -0.470 -16.516 1.00 0.00 H new ATOM 1133 N ASP A 73 -9.857 -4.906 -16.263 1.00 0.00 N ATOM 1134 CA ASP A 73 -9.257 -6.214 -15.982 1.00 0.00 C ATOM 1135 C ASP A 73 -9.630 -7.237 -17.046 1.00 0.00 C ATOM 1136 O ASP A 73 -8.755 -7.583 -17.868 1.00 0.00 O ATOM 1137 CB ASP A 73 -9.661 -6.727 -14.598 1.00 0.00 C ATOM 1138 CG ASP A 73 -8.901 -7.976 -14.210 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -7.657 -7.938 -14.212 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -9.544 -9.004 -13.895 1.00 0.00 O ATOM 1141 OXT ASP A 73 -10.792 -7.688 -17.067 1.00 0.00 O ATOM 0 H ASP A 73 -9.188 -4.213 -16.600 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.176 -6.078 -15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.481 -5.949 -13.857 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.731 -6.936 -14.587 1.00 0.00 H new TER 1146 ASP A 73