USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 597 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 34 SER OG : rot -65:sc= 1.36 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.823 K(o=2.2,f=-6.9!) USER MOD Set 2.1: A 2 HIS : no HD1:sc= -0.059 X(o=-0.059,f=0) USER MOD Set 2.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.167 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.41) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.24) USER MOD Single : A 11 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.11) USER MOD Single : A 13 SER OG : rot 54:sc= 0.118 USER MOD Single : A 14 HIS : no HD1:sc= -0.999 K(o=-1,f=-0.22) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.02) USER MOD Single : A 24 TYR OH : rot -150:sc= 0.85 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 32 ASN : amide:sc= -0.185 K(o=-0.18,f=-4.1!) USER MOD Single : A 40 GLN : amide:sc= -2.18 X(o=-2.2,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= 0.989 K(o=0.99,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc=-0.00751 (180deg=-0.101) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 156:sc= 0 (180deg=-0.912) USER MOD Single : A 52 THR OG1 : rot -11:sc= 1.13 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.992! K(o=-0.99!,f=-0.089) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0332) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= -0.0893 (180deg=-1.44!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 161:sc= -3.45! (180deg=-5.26!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -0.0755 (180deg=-0.463) USER MOD Single : A 70 SER OG : rot -89:sc= 1.31 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.729 -5.424 -0.133 1.00 0.00 N ATOM 2 CA GLY A 1 17.117 -4.214 -0.660 1.00 0.00 C ATOM 3 C GLY A 1 16.356 -3.499 0.416 1.00 0.00 C ATOM 4 O GLY A 1 16.293 -3.984 1.550 1.00 0.00 O ATOM 0 H1 GLY A 1 18.756 -5.392 -0.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.541 -5.492 0.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.329 -6.254 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.886 -3.558 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.446 -4.467 -1.481 1.00 0.00 H new ATOM 10 N HIS A 2 15.778 -2.362 0.089 1.00 0.00 N ATOM 11 CA HIS A 2 15.021 -1.578 1.070 1.00 0.00 C ATOM 12 C HIS A 2 13.867 -0.835 0.393 1.00 0.00 C ATOM 13 O HIS A 2 12.947 -0.353 1.060 1.00 0.00 O ATOM 14 CB HIS A 2 15.940 -0.554 1.811 1.00 0.00 C ATOM 15 CG HIS A 2 16.343 0.653 0.988 1.00 0.00 C ATOM 16 ND1 HIS A 2 17.293 0.636 -0.005 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.848 1.917 1.005 1.00 0.00 C ATOM 18 CE1 HIS A 2 17.342 1.846 -0.552 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.483 2.668 0.025 1.00 0.00 N ATOM 0 H HIS A 2 15.812 -1.952 -0.844 1.00 0.00 H new ATOM 0 HA HIS A 2 14.618 -2.276 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.426 -0.209 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.843 -1.069 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 2 15.082 2.280 1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.999 2.122 -1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 2 16.320 3.649 -0.202 1.00 0.00 H new ATOM 27 N MET A 3 13.923 -0.733 -0.926 1.00 0.00 N ATOM 28 CA MET A 3 12.941 0.018 -1.660 1.00 0.00 C ATOM 29 C MET A 3 11.659 -0.781 -1.784 1.00 0.00 C ATOM 30 O MET A 3 11.676 -1.996 -1.639 1.00 0.00 O ATOM 31 CB MET A 3 13.478 0.444 -3.023 1.00 0.00 C ATOM 32 CG MET A 3 14.678 1.379 -2.942 1.00 0.00 C ATOM 33 SD MET A 3 15.287 1.895 -4.558 1.00 0.00 S ATOM 34 CE MET A 3 16.648 2.968 -4.090 1.00 0.00 C ATOM 0 H MET A 3 14.644 -1.166 -1.503 1.00 0.00 H new ATOM 0 HA MET A 3 12.717 0.931 -1.109 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.759 -0.445 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.681 0.937 -3.580 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.404 2.262 -2.365 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.482 0.881 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.124 3.364 -4.987 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.270 3.792 -3.485 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.378 2.400 -3.513 1.00 0.00 H new ATOM 44 N VAL A 4 10.560 -0.112 -2.102 1.00 0.00 N ATOM 45 CA VAL A 4 9.236 -0.748 -2.077 1.00 0.00 C ATOM 46 C VAL A 4 9.136 -1.907 -3.048 1.00 0.00 C ATOM 47 O VAL A 4 8.569 -2.941 -2.739 1.00 0.00 O ATOM 48 CB VAL A 4 8.074 0.257 -2.328 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.194 1.429 -1.417 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.004 0.722 -3.760 1.00 0.00 C ATOM 0 H VAL A 4 10.551 0.869 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 4 9.126 -1.136 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 4 7.147 -0.277 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.374 2.122 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.153 1.091 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.144 1.933 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.175 1.421 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.937 1.218 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.849 -0.136 -4.414 1.00 0.00 H new ATOM 60 N HIS A 5 9.761 -1.755 -4.186 1.00 0.00 N ATOM 61 CA HIS A 5 9.725 -2.753 -5.233 1.00 0.00 C ATOM 62 C HIS A 5 10.534 -3.996 -4.848 1.00 0.00 C ATOM 63 O HIS A 5 10.447 -5.037 -5.497 1.00 0.00 O ATOM 64 CB HIS A 5 10.176 -2.134 -6.576 1.00 0.00 C ATOM 65 CG HIS A 5 11.463 -1.363 -6.513 1.00 0.00 C ATOM 66 ND1 HIS A 5 11.516 0.007 -6.382 1.00 0.00 N ATOM 67 CD2 HIS A 5 12.746 -1.788 -6.530 1.00 0.00 C ATOM 68 CE1 HIS A 5 12.789 0.365 -6.307 1.00 0.00 C ATOM 69 NE2 HIS A 5 13.588 -0.691 -6.397 1.00 0.00 N ATOM 0 H HIS A 5 10.315 -0.930 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 5 8.697 -3.092 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.283 -2.932 -7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.389 -1.472 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.065 -2.815 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.132 1.382 -6.188 1.00 0.00 H new ATOM 0 HE2 HIS A 5 14.608 -0.696 -6.373 1.00 0.00 H new ATOM 77 N GLU A 6 11.272 -3.879 -3.756 1.00 0.00 N ATOM 78 CA GLU A 6 12.088 -4.952 -3.230 1.00 0.00 C ATOM 79 C GLU A 6 11.384 -5.586 -2.023 1.00 0.00 C ATOM 80 O GLU A 6 11.894 -6.524 -1.404 1.00 0.00 O ATOM 81 CB GLU A 6 13.439 -4.406 -2.791 1.00 0.00 C ATOM 82 CG GLU A 6 14.126 -3.563 -3.840 1.00 0.00 C ATOM 83 CD GLU A 6 15.476 -3.107 -3.399 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.571 -2.123 -2.617 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.472 -3.739 -3.793 1.00 0.00 O ATOM 0 H GLU A 6 11.319 -3.022 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 6 12.235 -5.702 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.303 -3.808 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.089 -5.240 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.221 -4.138 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.508 -2.695 -4.069 1.00 0.00 H new ATOM 92 N TRP A 7 10.219 -5.057 -1.678 1.00 0.00 N ATOM 93 CA TRP A 7 9.448 -5.600 -0.582 1.00 0.00 C ATOM 94 C TRP A 7 8.716 -6.820 -1.048 1.00 0.00 C ATOM 95 O TRP A 7 8.371 -6.923 -2.225 1.00 0.00 O ATOM 96 CB TRP A 7 8.458 -4.581 0.010 1.00 0.00 C ATOM 97 CG TRP A 7 9.107 -3.382 0.635 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.406 -3.260 1.027 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.475 -2.150 0.977 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.630 -2.017 1.528 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.465 -1.318 1.520 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.177 -1.660 0.861 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.204 -0.030 1.943 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.916 -0.376 1.288 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.932 0.430 1.826 1.00 0.00 C ATOM 0 H TRP A 7 9.793 -4.255 -2.143 1.00 0.00 H new ATOM 0 HA TRP A 7 10.145 -5.859 0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.785 -4.245 -0.779 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.846 -5.081 0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.150 -4.039 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.529 -1.665 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.391 -2.273 0.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.986 0.591 2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.913 0.017 1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.698 1.433 2.152 1.00 0.00 H new ATOM 116 N SER A 8 8.493 -7.738 -0.151 1.00 0.00 N ATOM 117 CA SER A 8 7.847 -8.954 -0.492 1.00 0.00 C ATOM 118 C SER A 8 6.386 -8.907 -0.044 1.00 0.00 C ATOM 119 O SER A 8 5.507 -8.597 -0.821 1.00 0.00 O ATOM 120 CB SER A 8 8.602 -10.089 0.175 1.00 0.00 C ATOM 121 OG SER A 8 9.991 -9.988 -0.116 1.00 0.00 O ATOM 0 H SER A 8 8.756 -7.657 0.831 1.00 0.00 H new ATOM 0 HA SER A 8 7.850 -9.109 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.445 -10.057 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.218 -11.047 -0.175 1.00 0.00 H new ATOM 0 HG SER A 8 10.471 -10.723 0.320 1.00 0.00 H new ATOM 127 N VAL A 9 6.157 -9.138 1.231 1.00 0.00 N ATOM 128 CA VAL A 9 4.824 -9.129 1.784 1.00 0.00 C ATOM 129 C VAL A 9 4.884 -8.444 3.123 1.00 0.00 C ATOM 130 O VAL A 9 4.345 -7.372 3.297 1.00 0.00 O ATOM 131 CB VAL A 9 4.241 -10.570 1.979 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.831 -10.501 2.517 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.253 -11.358 0.684 1.00 0.00 C ATOM 0 H VAL A 9 6.891 -9.337 1.911 1.00 0.00 H new ATOM 0 HA VAL A 9 4.169 -8.608 1.086 1.00 0.00 H new ATOM 0 HB VAL A 9 4.879 -11.084 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.441 -11.511 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.833 -9.987 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.200 -9.956 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.841 -12.352 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.649 -10.841 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.277 -11.448 0.322 1.00 0.00 H new ATOM 143 N GLN A 10 5.670 -9.003 4.043 1.00 0.00 N ATOM 144 CA GLN A 10 5.734 -8.455 5.404 1.00 0.00 C ATOM 145 C GLN A 10 6.549 -7.160 5.486 1.00 0.00 C ATOM 146 O GLN A 10 6.796 -6.637 6.554 1.00 0.00 O ATOM 147 CB GLN A 10 6.228 -9.486 6.428 1.00 0.00 C ATOM 148 CG GLN A 10 7.732 -9.783 6.479 1.00 0.00 C ATOM 149 CD GLN A 10 8.277 -10.478 5.265 1.00 0.00 C ATOM 150 OE1 GLN A 10 8.279 -11.699 5.183 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.795 -9.723 4.343 1.00 0.00 N ATOM 0 H GLN A 10 6.261 -9.818 3.880 1.00 0.00 H new ATOM 0 HA GLN A 10 4.707 -8.202 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.920 -9.148 7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.708 -10.424 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.269 -8.844 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.937 -10.398 7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.776 -8.708 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.221 -10.145 3.518 1.00 0.00 H new ATOM 160 N GLN A 11 6.973 -6.675 4.352 1.00 0.00 N ATOM 161 CA GLN A 11 7.662 -5.411 4.285 1.00 0.00 C ATOM 162 C GLN A 11 6.755 -4.304 3.754 1.00 0.00 C ATOM 163 O GLN A 11 7.068 -3.129 3.894 1.00 0.00 O ATOM 164 CB GLN A 11 8.967 -5.512 3.500 1.00 0.00 C ATOM 165 CG GLN A 11 10.067 -6.249 4.254 1.00 0.00 C ATOM 166 CD GLN A 11 11.424 -6.229 3.573 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.450 -6.270 4.229 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.448 -6.167 2.280 1.00 0.00 N ATOM 0 H GLN A 11 6.853 -7.139 3.452 1.00 0.00 H new ATOM 0 HA GLN A 11 7.934 -5.138 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.777 -6.024 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.314 -4.508 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.167 -5.809 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.761 -7.286 4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.574 -6.134 1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.341 -6.151 1.787 1.00 0.00 H new ATOM 177 N VAL A 12 5.606 -4.686 3.191 1.00 0.00 N ATOM 178 CA VAL A 12 4.659 -3.715 2.628 1.00 0.00 C ATOM 179 C VAL A 12 3.806 -3.107 3.769 1.00 0.00 C ATOM 180 O VAL A 12 3.311 -1.975 3.682 1.00 0.00 O ATOM 181 CB VAL A 12 3.733 -4.401 1.555 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.556 -5.149 2.160 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.279 -3.416 0.505 1.00 0.00 C ATOM 0 H VAL A 12 5.308 -5.658 3.112 1.00 0.00 H new ATOM 0 HA VAL A 12 5.217 -2.920 2.133 1.00 0.00 H new ATOM 0 HB VAL A 12 4.350 -5.156 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.961 -5.596 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.924 -5.933 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.937 -4.455 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.642 -3.924 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.718 -2.611 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.148 -3.001 -0.005 1.00 0.00 H new ATOM 193 N SER A 13 3.689 -3.858 4.861 1.00 0.00 N ATOM 194 CA SER A 13 2.911 -3.468 6.007 1.00 0.00 C ATOM 195 C SER A 13 3.503 -2.283 6.729 1.00 0.00 C ATOM 196 O SER A 13 2.770 -1.424 7.193 1.00 0.00 O ATOM 197 CB SER A 13 2.768 -4.658 6.927 1.00 0.00 C ATOM 198 OG SER A 13 3.883 -5.527 6.755 1.00 0.00 O ATOM 0 H SER A 13 4.143 -4.765 4.964 1.00 0.00 H new ATOM 0 HA SER A 13 1.927 -3.147 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.709 -4.325 7.963 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.842 -5.190 6.710 1.00 0.00 H new ATOM 0 HG SER A 13 4.714 -5.020 6.872 1.00 0.00 H new ATOM 204 N HIS A 14 4.827 -2.218 6.780 1.00 0.00 N ATOM 205 CA HIS A 14 5.542 -1.119 7.461 1.00 0.00 C ATOM 206 C HIS A 14 5.144 0.221 6.869 1.00 0.00 C ATOM 207 O HIS A 14 5.102 1.238 7.566 1.00 0.00 O ATOM 208 CB HIS A 14 7.060 -1.289 7.373 1.00 0.00 C ATOM 209 CG HIS A 14 7.564 -2.588 7.914 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.343 -3.031 9.196 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.260 -3.563 7.301 1.00 0.00 C ATOM 212 CE1 HIS A 14 7.891 -4.233 9.320 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.467 -4.608 8.193 1.00 0.00 N ATOM 0 H HIS A 14 5.442 -2.914 6.358 1.00 0.00 H new ATOM 0 HA HIS A 14 5.257 -1.151 8.513 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.364 -1.200 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.538 -0.473 7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.603 -3.537 6.277 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.869 -4.826 10.223 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.961 -5.482 8.014 1.00 0.00 H new ATOM 221 N TRP A 15 4.848 0.209 5.589 1.00 0.00 N ATOM 222 CA TRP A 15 4.340 1.368 4.932 1.00 0.00 C ATOM 223 C TRP A 15 2.904 1.598 5.365 1.00 0.00 C ATOM 224 O TRP A 15 2.620 2.601 5.997 1.00 0.00 O ATOM 225 CB TRP A 15 4.454 1.233 3.408 1.00 0.00 C ATOM 226 CG TRP A 15 3.647 2.244 2.647 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.843 3.589 2.592 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.498 1.973 1.843 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.886 4.173 1.792 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.047 3.197 1.324 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.807 0.812 1.513 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.937 3.279 0.493 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.711 0.911 0.688 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.295 2.126 0.200 1.00 0.00 C ATOM 0 H TRP A 15 4.956 -0.606 4.986 1.00 0.00 H new ATOM 0 HA TRP A 15 4.936 2.234 5.218 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.501 1.328 3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.134 0.233 3.116 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.633 4.121 3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.814 5.169 1.583 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.124 -0.147 1.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.600 4.226 0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.168 0.017 0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.575 2.161 -0.440 1.00 0.00 H new ATOM 245 N LEU A 16 2.031 0.617 5.081 1.00 0.00 N ATOM 246 CA LEU A 16 0.582 0.684 5.375 1.00 0.00 C ATOM 247 C LEU A 16 0.293 1.166 6.786 1.00 0.00 C ATOM 248 O LEU A 16 -0.441 2.125 6.979 1.00 0.00 O ATOM 249 CB LEU A 16 -0.041 -0.685 5.185 1.00 0.00 C ATOM 250 CG LEU A 16 -0.123 -1.209 3.754 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.332 -2.696 3.755 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.279 -0.556 3.022 1.00 0.00 C ATOM 0 H LEU A 16 2.311 -0.257 4.636 1.00 0.00 H new ATOM 0 HA LEU A 16 0.150 1.406 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.527 -1.402 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.050 -0.659 5.596 1.00 0.00 H new ATOM 0 HG LEU A 16 0.814 -0.970 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.389 -3.056 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.501 -3.180 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.261 -2.933 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.327 -0.938 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.212 -0.783 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.131 0.524 2.998 1.00 0.00 H new ATOM 264 N VAL A 17 0.913 0.538 7.753 1.00 0.00 N ATOM 265 CA VAL A 17 0.709 0.852 9.154 1.00 0.00 C ATOM 266 C VAL A 17 1.125 2.305 9.461 1.00 0.00 C ATOM 267 O VAL A 17 0.558 2.951 10.348 1.00 0.00 O ATOM 268 CB VAL A 17 1.501 -0.133 10.047 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.330 0.173 11.521 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.100 -1.572 9.765 1.00 0.00 C ATOM 0 H VAL A 17 1.582 -0.215 7.593 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.354 0.749 9.373 1.00 0.00 H new ATOM 0 HB VAL A 17 2.554 -0.005 9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.903 -0.543 12.110 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.688 1.182 11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.276 0.101 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.673 -2.242 10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.036 -1.699 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.303 -1.808 8.721 1.00 0.00 H new ATOM 280 N GLY A 18 2.016 2.839 8.647 1.00 0.00 N ATOM 281 CA GLY A 18 2.528 4.163 8.866 1.00 0.00 C ATOM 282 C GLY A 18 1.507 5.204 8.507 1.00 0.00 C ATOM 283 O GLY A 18 1.393 6.231 9.175 1.00 0.00 O ATOM 0 H GLY A 18 2.397 2.367 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.816 4.277 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.428 4.311 8.270 1.00 0.00 H new ATOM 287 N LEU A 19 0.721 4.924 7.485 1.00 0.00 N ATOM 288 CA LEU A 19 -0.310 5.857 7.052 1.00 0.00 C ATOM 289 C LEU A 19 -1.668 5.476 7.622 1.00 0.00 C ATOM 290 O LEU A 19 -2.682 5.962 7.165 1.00 0.00 O ATOM 291 CB LEU A 19 -0.404 6.022 5.504 1.00 0.00 C ATOM 292 CG LEU A 19 -0.645 4.780 4.656 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.262 5.158 3.347 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.631 4.081 4.368 1.00 0.00 C ATOM 0 H LEU A 19 0.773 4.064 6.940 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.008 6.827 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.207 6.728 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.523 6.482 5.162 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.310 4.125 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.429 4.261 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.214 5.658 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.593 5.831 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.433 3.197 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.299 4.751 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.100 3.780 5.305 1.00 0.00 H new ATOM 306 N SER A 20 -1.655 4.611 8.646 1.00 0.00 N ATOM 307 CA SER A 20 -2.868 4.140 9.351 1.00 0.00 C ATOM 308 C SER A 20 -3.671 3.142 8.514 1.00 0.00 C ATOM 309 O SER A 20 -4.764 2.737 8.868 1.00 0.00 O ATOM 310 CB SER A 20 -3.737 5.315 9.827 1.00 0.00 C ATOM 311 OG SER A 20 -2.955 6.242 10.575 1.00 0.00 O ATOM 0 H SER A 20 -0.793 4.210 9.017 1.00 0.00 H new ATOM 0 HA SER A 20 -2.531 3.604 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.183 5.816 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.557 4.943 10.441 1.00 0.00 H new ATOM 0 HG SER A 20 -3.522 6.985 10.870 1.00 0.00 H new ATOM 317 N LEU A 21 -3.045 2.652 7.495 1.00 0.00 N ATOM 318 CA LEU A 21 -3.622 1.709 6.546 1.00 0.00 C ATOM 319 C LEU A 21 -3.292 0.303 6.990 1.00 0.00 C ATOM 320 O LEU A 21 -3.302 -0.629 6.205 1.00 0.00 O ATOM 321 CB LEU A 21 -3.052 1.968 5.149 1.00 0.00 C ATOM 322 CG LEU A 21 -3.750 3.003 4.231 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.878 2.366 3.501 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.277 4.210 4.998 1.00 0.00 C ATOM 0 H LEU A 21 -2.079 2.896 7.277 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.704 1.834 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.015 2.282 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.036 1.016 4.619 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.993 3.355 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.360 3.104 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.499 1.547 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.603 1.980 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.756 4.901 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.003 3.880 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.449 4.713 5.498 1.00 0.00 H new ATOM 336 N ASP A 22 -2.997 0.168 8.275 1.00 0.00 N ATOM 337 CA ASP A 22 -2.770 -1.121 8.937 1.00 0.00 C ATOM 338 C ASP A 22 -3.922 -2.075 8.658 1.00 0.00 C ATOM 339 O ASP A 22 -3.730 -3.284 8.493 1.00 0.00 O ATOM 340 CB ASP A 22 -2.639 -0.900 10.445 1.00 0.00 C ATOM 341 CG ASP A 22 -2.503 -2.180 11.236 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.528 -2.758 11.643 1.00 0.00 O ATOM 343 OD2 ASP A 22 -1.389 -2.604 11.490 1.00 0.00 O ATOM 0 H ASP A 22 -2.905 0.965 8.905 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.852 -1.561 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.770 -0.270 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.513 -0.354 10.801 1.00 0.00 H new ATOM 348 N GLN A 23 -5.100 -1.496 8.531 1.00 0.00 N ATOM 349 CA GLN A 23 -6.330 -2.217 8.247 1.00 0.00 C ATOM 350 C GLN A 23 -6.254 -2.908 6.864 1.00 0.00 C ATOM 351 O GLN A 23 -6.907 -3.911 6.621 1.00 0.00 O ATOM 352 CB GLN A 23 -7.499 -1.226 8.308 1.00 0.00 C ATOM 353 CG GLN A 23 -7.569 -0.245 7.142 1.00 0.00 C ATOM 354 CD GLN A 23 -8.098 1.104 7.547 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.308 1.321 7.606 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.204 2.039 7.747 1.00 0.00 N ATOM 0 H GLN A 23 -5.234 -0.489 8.624 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.480 -3.001 8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.432 -1.789 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.429 -0.660 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.574 -0.126 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.206 -0.661 6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.210 1.816 7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.501 2.991 7.961 1.00 0.00 H new ATOM 365 N TYR A 24 -5.390 -2.399 6.004 1.00 0.00 N ATOM 366 CA TYR A 24 -5.245 -2.917 4.665 1.00 0.00 C ATOM 367 C TYR A 24 -4.265 -4.067 4.612 1.00 0.00 C ATOM 368 O TYR A 24 -4.338 -4.892 3.701 1.00 0.00 O ATOM 369 CB TYR A 24 -4.834 -1.823 3.688 1.00 0.00 C ATOM 370 CG TYR A 24 -5.957 -1.327 2.790 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.925 -0.439 3.234 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.028 -1.757 1.480 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.932 0.002 2.380 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.018 -1.328 0.625 1.00 0.00 C ATOM 375 CZ TYR A 24 -7.969 -0.453 1.070 1.00 0.00 C ATOM 376 OH TYR A 24 -8.970 -0.032 0.198 1.00 0.00 O ATOM 0 H TYR A 24 -4.772 -1.616 6.218 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.222 -3.295 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.437 -0.979 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.024 -2.197 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.897 -0.085 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.285 -2.451 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.680 0.695 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.043 -1.682 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.154 -0.739 -0.455 1.00 0.00 H new ATOM 386 N VAL A 25 -3.364 -4.147 5.602 1.00 0.00 N ATOM 387 CA VAL A 25 -2.365 -5.238 5.657 1.00 0.00 C ATOM 388 C VAL A 25 -3.057 -6.595 5.680 1.00 0.00 C ATOM 389 O VAL A 25 -2.585 -7.546 5.061 1.00 0.00 O ATOM 390 CB VAL A 25 -1.369 -5.156 6.865 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.312 -6.231 6.744 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.743 -3.784 6.985 1.00 0.00 C ATOM 0 H VAL A 25 -3.302 -3.479 6.371 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.769 -5.115 4.753 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.936 -5.327 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.374 -6.164 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.789 -7.211 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.242 -6.094 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.060 -3.769 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.193 -3.554 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.525 -3.039 7.135 1.00 0.00 H new ATOM 402 N SER A 26 -4.219 -6.638 6.326 1.00 0.00 N ATOM 403 CA SER A 26 -5.034 -7.838 6.457 1.00 0.00 C ATOM 404 C SER A 26 -5.274 -8.511 5.088 1.00 0.00 C ATOM 405 O SER A 26 -5.301 -9.743 4.980 1.00 0.00 O ATOM 406 CB SER A 26 -6.372 -7.470 7.126 1.00 0.00 C ATOM 407 OG SER A 26 -7.184 -8.608 7.380 1.00 0.00 O ATOM 0 H SER A 26 -4.627 -5.822 6.782 1.00 0.00 H new ATOM 0 HA SER A 26 -4.501 -8.557 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.175 -6.951 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.916 -6.775 6.486 1.00 0.00 H new ATOM 0 HG SER A 26 -8.020 -8.325 7.806 1.00 0.00 H new ATOM 413 N GLU A 27 -5.416 -7.715 4.045 1.00 0.00 N ATOM 414 CA GLU A 27 -5.635 -8.265 2.741 1.00 0.00 C ATOM 415 C GLU A 27 -4.386 -8.099 1.858 1.00 0.00 C ATOM 416 O GLU A 27 -4.094 -8.956 1.047 1.00 0.00 O ATOM 417 CB GLU A 27 -6.885 -7.673 2.109 1.00 0.00 C ATOM 418 CG GLU A 27 -7.306 -8.335 0.808 1.00 0.00 C ATOM 419 CD GLU A 27 -7.633 -9.791 0.959 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.495 -10.132 1.781 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.082 -10.609 0.226 1.00 0.00 O ATOM 0 H GLU A 27 -5.383 -6.696 4.084 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.809 -9.337 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.707 -7.746 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.716 -6.612 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.176 -7.814 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.505 -8.224 0.077 1.00 0.00 H new ATOM 428 N PHE A 28 -3.621 -7.011 2.058 1.00 0.00 N ATOM 429 CA PHE A 28 -2.348 -6.796 1.327 1.00 0.00 C ATOM 430 C PHE A 28 -1.422 -7.999 1.486 1.00 0.00 C ATOM 431 O PHE A 28 -0.817 -8.470 0.523 1.00 0.00 O ATOM 432 CB PHE A 28 -1.632 -5.525 1.822 1.00 0.00 C ATOM 433 CG PHE A 28 -1.816 -4.291 0.961 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.073 -3.826 0.629 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.708 -3.594 0.480 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.221 -2.696 -0.156 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.863 -2.468 -0.295 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.122 -2.025 -0.615 1.00 0.00 C ATOM 0 H PHE A 28 -3.856 -6.267 2.715 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.593 -6.672 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.985 -5.300 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.566 -5.737 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.948 -4.349 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.286 -3.943 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.210 -2.342 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.005 -1.933 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.245 -1.146 -1.230 1.00 0.00 H new ATOM 448 N SER A 29 -1.393 -8.539 2.688 1.00 0.00 N ATOM 449 CA SER A 29 -0.568 -9.673 3.002 1.00 0.00 C ATOM 450 C SER A 29 -1.146 -10.954 2.373 1.00 0.00 C ATOM 451 O SER A 29 -0.414 -11.878 2.028 1.00 0.00 O ATOM 452 CB SER A 29 -0.446 -9.812 4.531 1.00 0.00 C ATOM 453 OG SER A 29 0.418 -10.865 4.902 1.00 0.00 O ATOM 0 H SER A 29 -1.946 -8.197 3.474 1.00 0.00 H new ATOM 0 HA SER A 29 0.427 -9.521 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.077 -8.876 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.433 -9.986 4.959 1.00 0.00 H new ATOM 0 HG SER A 29 0.468 -10.918 5.879 1.00 0.00 H new ATOM 459 N ALA A 30 -2.442 -10.967 2.140 1.00 0.00 N ATOM 460 CA ALA A 30 -3.112 -12.146 1.641 1.00 0.00 C ATOM 461 C ALA A 30 -2.869 -12.318 0.160 1.00 0.00 C ATOM 462 O ALA A 30 -2.757 -13.439 -0.337 1.00 0.00 O ATOM 463 CB ALA A 30 -4.598 -12.071 1.929 1.00 0.00 C ATOM 0 H ALA A 30 -3.055 -10.166 2.290 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.701 -13.015 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.088 -12.966 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.757 -12.001 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.019 -11.191 1.442 1.00 0.00 H new ATOM 469 N GLN A 31 -2.769 -11.213 -0.546 1.00 0.00 N ATOM 470 CA GLN A 31 -2.562 -11.275 -1.988 1.00 0.00 C ATOM 471 C GLN A 31 -1.088 -11.156 -2.304 1.00 0.00 C ATOM 472 O GLN A 31 -0.688 -11.261 -3.471 1.00 0.00 O ATOM 473 CB GLN A 31 -3.324 -10.166 -2.720 1.00 0.00 C ATOM 474 CG GLN A 31 -4.508 -9.618 -1.959 1.00 0.00 C ATOM 475 CD GLN A 31 -5.406 -8.734 -2.793 1.00 0.00 C ATOM 476 OE1 GLN A 31 -4.961 -8.068 -3.716 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.676 -8.716 -2.472 1.00 0.00 N ATOM 0 H GLN A 31 -2.826 -10.271 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.943 -12.236 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.635 -9.349 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.670 -10.551 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.093 -10.449 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.147 -9.050 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.014 -9.285 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.327 -8.133 -2.999 1.00 0.00 H new ATOM 486 N ASN A 32 -0.277 -10.951 -1.245 1.00 0.00 N ATOM 487 CA ASN A 32 1.164 -10.787 -1.352 1.00 0.00 C ATOM 488 C ASN A 32 1.463 -9.545 -2.162 1.00 0.00 C ATOM 489 O ASN A 32 2.310 -9.544 -3.069 1.00 0.00 O ATOM 490 CB ASN A 32 1.842 -12.033 -1.950 1.00 0.00 C ATOM 491 CG ASN A 32 1.487 -13.315 -1.210 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.112 -13.678 -0.206 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.514 -14.032 -1.719 1.00 0.00 N ATOM 0 H ASN A 32 -0.621 -10.896 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 32 1.579 -10.668 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.552 -12.131 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.923 -11.896 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.253 -14.918 -1.286 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.019 -13.704 -2.548 1.00 0.00 H new ATOM 500 N ILE A 33 0.734 -8.486 -1.830 1.00 0.00 N ATOM 501 CA ILE A 33 0.881 -7.214 -2.478 1.00 0.00 C ATOM 502 C ILE A 33 2.227 -6.628 -2.096 1.00 0.00 C ATOM 503 O ILE A 33 2.445 -6.278 -0.945 1.00 0.00 O ATOM 504 CB ILE A 33 -0.248 -6.209 -2.065 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.636 -6.738 -2.463 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.012 -4.828 -2.685 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.829 -6.928 -3.959 1.00 0.00 C ATOM 0 H ILE A 33 0.024 -8.499 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 33 0.809 -7.371 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.215 -6.111 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.805 -7.692 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.394 -6.046 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.811 -4.151 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.946 -4.435 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.003 -4.914 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.834 -7.303 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.695 -5.973 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.097 -7.644 -4.332 1.00 0.00 H new ATOM 519 N SER A 34 3.125 -6.567 -3.028 1.00 0.00 N ATOM 520 CA SER A 34 4.418 -6.024 -2.754 1.00 0.00 C ATOM 521 C SER A 34 4.477 -4.616 -3.318 1.00 0.00 C ATOM 522 O SER A 34 3.458 -4.076 -3.782 1.00 0.00 O ATOM 523 CB SER A 34 5.493 -6.887 -3.418 1.00 0.00 C ATOM 524 OG SER A 34 5.417 -6.802 -4.836 1.00 0.00 O ATOM 0 H SER A 34 2.987 -6.887 -3.987 1.00 0.00 H new ATOM 0 HA SER A 34 4.594 -6.006 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.479 -6.565 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.374 -7.925 -3.106 1.00 0.00 H new ATOM 0 HG SER A 34 4.568 -7.183 -5.142 1.00 0.00 H new ATOM 530 N GLY A 35 5.672 -4.048 -3.347 1.00 0.00 N ATOM 531 CA GLY A 35 5.886 -2.737 -3.901 1.00 0.00 C ATOM 532 C GLY A 35 5.577 -2.691 -5.375 1.00 0.00 C ATOM 533 O GLY A 35 5.269 -1.631 -5.912 1.00 0.00 O ATOM 0 H GLY A 35 6.517 -4.490 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.260 -2.015 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.922 -2.439 -3.738 1.00 0.00 H new ATOM 537 N GLU A 36 5.624 -3.860 -6.011 1.00 0.00 N ATOM 538 CA GLU A 36 5.298 -4.013 -7.411 1.00 0.00 C ATOM 539 C GLU A 36 3.864 -3.556 -7.644 1.00 0.00 C ATOM 540 O GLU A 36 3.571 -2.830 -8.594 1.00 0.00 O ATOM 541 CB GLU A 36 5.457 -5.483 -7.812 1.00 0.00 C ATOM 542 CG GLU A 36 5.112 -5.785 -9.255 1.00 0.00 C ATOM 543 CD GLU A 36 5.205 -7.250 -9.573 1.00 0.00 C ATOM 544 OE1 GLU A 36 4.191 -7.977 -9.410 1.00 0.00 O ATOM 545 OE2 GLU A 36 6.280 -7.699 -10.015 1.00 0.00 O ATOM 0 H GLU A 36 5.894 -4.732 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 36 5.969 -3.406 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.488 -5.787 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.825 -6.092 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.102 -5.434 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.784 -5.231 -9.910 1.00 0.00 H new ATOM 552 N GLN A 37 2.994 -3.937 -6.744 1.00 0.00 N ATOM 553 CA GLN A 37 1.613 -3.578 -6.864 1.00 0.00 C ATOM 554 C GLN A 37 1.292 -2.309 -6.098 1.00 0.00 C ATOM 555 O GLN A 37 0.343 -1.631 -6.422 1.00 0.00 O ATOM 556 CB GLN A 37 0.641 -4.737 -6.519 1.00 0.00 C ATOM 557 CG GLN A 37 1.216 -5.947 -5.783 1.00 0.00 C ATOM 558 CD GLN A 37 2.195 -6.797 -6.578 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.076 -7.409 -6.000 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.066 -6.826 -7.881 1.00 0.00 N ATOM 0 H GLN A 37 3.222 -4.496 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 37 1.448 -3.368 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.168 -4.328 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.195 -5.090 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.717 -5.596 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.389 -6.581 -5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.316 -6.301 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.715 -7.374 -8.446 1.00 0.00 H new ATOM 569 N LEU A 38 2.124 -1.998 -5.117 1.00 0.00 N ATOM 570 CA LEU A 38 2.001 -0.809 -4.266 1.00 0.00 C ATOM 571 C LEU A 38 2.133 0.458 -5.126 1.00 0.00 C ATOM 572 O LEU A 38 1.296 1.345 -5.070 1.00 0.00 O ATOM 573 CB LEU A 38 3.134 -0.869 -3.224 1.00 0.00 C ATOM 574 CG LEU A 38 3.004 -0.083 -1.908 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.220 -0.327 -1.053 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.871 1.392 -2.135 1.00 0.00 C ATOM 0 H LEU A 38 2.929 -2.577 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 38 1.031 -0.782 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.281 -1.917 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.046 -0.531 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 38 2.099 -0.434 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.127 0.230 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.302 -1.391 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.112 0.003 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.782 1.901 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.752 1.760 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.982 1.589 -2.734 1.00 0.00 H new ATOM 588 N LEU A 39 3.174 0.509 -5.932 1.00 0.00 N ATOM 589 CA LEU A 39 3.451 1.678 -6.765 1.00 0.00 C ATOM 590 C LEU A 39 2.367 1.914 -7.795 1.00 0.00 C ATOM 591 O LEU A 39 2.007 3.052 -8.081 1.00 0.00 O ATOM 592 CB LEU A 39 4.777 1.500 -7.471 1.00 0.00 C ATOM 593 CG LEU A 39 5.999 1.466 -6.579 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.180 0.944 -7.364 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.290 2.869 -6.025 1.00 0.00 C ATOM 0 H LEU A 39 3.851 -0.248 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 39 3.484 2.546 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.741 0.572 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.897 2.312 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 39 5.815 0.801 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.061 0.919 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.963 -0.063 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.369 1.598 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.171 2.832 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.471 3.556 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.435 3.216 -5.445 1.00 0.00 H new ATOM 607 N GLN A 40 1.856 0.851 -8.353 1.00 0.00 N ATOM 608 CA GLN A 40 0.856 0.973 -9.399 1.00 0.00 C ATOM 609 C GLN A 40 -0.591 0.850 -8.873 1.00 0.00 C ATOM 610 O GLN A 40 -1.530 0.765 -9.666 1.00 0.00 O ATOM 611 CB GLN A 40 1.169 -0.002 -10.563 1.00 0.00 C ATOM 612 CG GLN A 40 1.051 -1.493 -10.254 1.00 0.00 C ATOM 613 CD GLN A 40 -0.356 -2.029 -10.443 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.118 -1.543 -11.277 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.711 -3.016 -9.699 1.00 0.00 N ATOM 0 H GLN A 40 2.108 -0.107 -8.109 1.00 0.00 H new ATOM 0 HA GLN A 40 0.915 1.987 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.499 0.229 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.183 0.195 -10.910 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.734 -2.047 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.367 -1.671 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.059 -3.400 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.645 -3.415 -9.793 1.00 0.00 H new ATOM 624 N LEU A 41 -0.756 0.881 -7.549 1.00 0.00 N ATOM 625 CA LEU A 41 -2.063 0.808 -6.902 1.00 0.00 C ATOM 626 C LEU A 41 -3.071 1.796 -7.463 1.00 0.00 C ATOM 627 O LEU A 41 -2.783 2.975 -7.692 1.00 0.00 O ATOM 628 CB LEU A 41 -1.955 1.019 -5.411 1.00 0.00 C ATOM 629 CG LEU A 41 -1.531 -0.164 -4.572 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.310 0.304 -3.176 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.601 -1.248 -4.579 1.00 0.00 C ATOM 0 H LEU A 41 0.021 0.958 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.426 -0.198 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.246 1.828 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.924 1.360 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.616 -0.587 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.003 -0.537 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.530 1.066 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.235 0.727 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.272 -2.088 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.529 -0.846 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.769 -1.587 -5.601 1.00 0.00 H new ATOM 643 N ASP A 42 -4.244 1.307 -7.651 1.00 0.00 N ATOM 644 CA ASP A 42 -5.332 2.062 -8.189 1.00 0.00 C ATOM 645 C ASP A 42 -6.560 1.718 -7.383 1.00 0.00 C ATOM 646 O ASP A 42 -6.530 0.733 -6.627 1.00 0.00 O ATOM 647 CB ASP A 42 -5.529 1.697 -9.672 1.00 0.00 C ATOM 648 CG ASP A 42 -6.711 2.379 -10.309 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.637 3.586 -10.609 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.755 1.737 -10.482 1.00 0.00 O ATOM 0 H ASP A 42 -4.487 0.341 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.137 3.133 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.627 1.960 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.653 0.618 -9.758 1.00 0.00 H new ATOM 655 N GLY A 43 -7.615 2.515 -7.515 1.00 0.00 N ATOM 656 CA GLY A 43 -8.857 2.277 -6.829 1.00 0.00 C ATOM 657 C GLY A 43 -9.371 0.892 -7.075 1.00 0.00 C ATOM 658 O GLY A 43 -9.827 0.249 -6.154 1.00 0.00 O ATOM 0 H GLY A 43 -7.621 3.346 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.716 2.428 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.599 3.004 -7.158 1.00 0.00 H new ATOM 662 N ASN A 44 -9.226 0.416 -8.315 1.00 0.00 N ATOM 663 CA ASN A 44 -9.629 -0.933 -8.692 1.00 0.00 C ATOM 664 C ASN A 44 -9.021 -1.954 -7.783 1.00 0.00 C ATOM 665 O ASN A 44 -9.710 -2.859 -7.300 1.00 0.00 O ATOM 666 CB ASN A 44 -9.246 -1.250 -10.126 1.00 0.00 C ATOM 667 CG ASN A 44 -10.165 -0.636 -11.163 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.172 -1.232 -11.550 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.830 0.529 -11.633 1.00 0.00 N ATOM 0 H ASN A 44 -8.826 0.958 -9.081 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.714 -0.973 -8.601 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.229 -0.900 -10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.239 -2.332 -10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.408 0.977 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.990 0.995 -11.290 1.00 0.00 H new ATOM 676 N LYS A 45 -7.743 -1.786 -7.509 1.00 0.00 N ATOM 677 CA LYS A 45 -7.037 -2.674 -6.631 1.00 0.00 C ATOM 678 C LYS A 45 -7.558 -2.513 -5.215 1.00 0.00 C ATOM 679 O LYS A 45 -7.957 -3.468 -4.606 1.00 0.00 O ATOM 680 CB LYS A 45 -5.523 -2.428 -6.666 1.00 0.00 C ATOM 681 CG LYS A 45 -4.944 -2.325 -8.062 1.00 0.00 C ATOM 682 CD LYS A 45 -3.510 -2.837 -8.130 1.00 0.00 C ATOM 683 CE LYS A 45 -3.399 -4.328 -7.784 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.172 -5.182 -8.710 1.00 0.00 N ATOM 0 H LYS A 45 -7.174 -1.031 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.211 -3.694 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.303 -1.508 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.022 -3.238 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.565 -2.895 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.973 -1.286 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.116 -2.670 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.890 -2.261 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.351 -4.627 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.752 -4.489 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.958 -6.182 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.189 -5.013 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.914 -4.953 -9.691 1.00 0.00 H new ATOM 698 N LEU A 46 -7.631 -1.270 -4.751 1.00 0.00 N ATOM 699 CA LEU A 46 -8.063 -0.931 -3.372 1.00 0.00 C ATOM 700 C LEU A 46 -9.452 -1.479 -3.055 1.00 0.00 C ATOM 701 O LEU A 46 -9.779 -1.803 -1.886 1.00 0.00 O ATOM 702 CB LEU A 46 -8.076 0.580 -3.204 1.00 0.00 C ATOM 703 CG LEU A 46 -6.732 1.283 -3.422 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.879 2.787 -3.309 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.679 0.763 -2.450 1.00 0.00 C ATOM 0 H LEU A 46 -7.393 -0.453 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.355 -1.390 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.802 0.999 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.428 0.813 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.396 1.055 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.910 3.260 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.584 3.141 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.249 3.043 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.735 1.278 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.007 0.946 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.541 -0.308 -2.601 1.00 0.00 H new ATOM 717 N LYS A 47 -10.262 -1.557 -4.074 1.00 0.00 N ATOM 718 CA LYS A 47 -11.591 -2.077 -3.968 1.00 0.00 C ATOM 719 C LYS A 47 -11.556 -3.605 -3.974 1.00 0.00 C ATOM 720 O LYS A 47 -12.271 -4.253 -3.209 1.00 0.00 O ATOM 721 CB LYS A 47 -12.457 -1.521 -5.098 1.00 0.00 C ATOM 722 CG LYS A 47 -12.603 0.002 -5.048 1.00 0.00 C ATOM 723 CD LYS A 47 -13.112 0.582 -6.367 1.00 0.00 C ATOM 724 CE LYS A 47 -14.522 0.129 -6.685 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.011 0.687 -7.960 1.00 0.00 N ATOM 0 H LYS A 47 -10.010 -1.255 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.036 -1.762 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.022 -1.807 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.446 -1.977 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.290 0.272 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.639 0.449 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.084 1.671 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.445 0.282 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.550 -0.960 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.190 0.431 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.979 0.351 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.009 1.726 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.390 0.378 -8.735 1.00 0.00 H new ATOM 739 N ALA A 48 -10.663 -4.166 -4.780 1.00 0.00 N ATOM 740 CA ALA A 48 -10.482 -5.617 -4.884 1.00 0.00 C ATOM 741 C ALA A 48 -9.831 -6.189 -3.614 1.00 0.00 C ATOM 742 O ALA A 48 -9.859 -7.397 -3.375 1.00 0.00 O ATOM 743 CB ALA A 48 -9.666 -5.972 -6.113 1.00 0.00 C ATOM 0 H ALA A 48 -10.040 -3.630 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.469 -6.069 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.545 -7.054 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.181 -5.618 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.686 -5.500 -6.048 1.00 0.00 H new ATOM 749 N LEU A 49 -9.259 -5.306 -2.800 1.00 0.00 N ATOM 750 CA LEU A 49 -8.718 -5.658 -1.490 1.00 0.00 C ATOM 751 C LEU A 49 -9.864 -5.938 -0.501 1.00 0.00 C ATOM 752 O LEU A 49 -9.633 -6.289 0.648 1.00 0.00 O ATOM 753 CB LEU A 49 -7.809 -4.525 -0.935 1.00 0.00 C ATOM 754 CG LEU A 49 -6.278 -4.553 -1.247 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.611 -5.755 -0.656 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.961 -4.484 -2.716 1.00 0.00 C ATOM 0 H LEU A 49 -9.157 -4.318 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.113 -6.557 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.202 -3.578 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.923 -4.515 0.149 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.883 -3.650 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.548 -5.736 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.739 -5.747 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.060 -6.659 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.880 -4.508 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.412 -5.335 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.360 -3.559 -3.131 1.00 0.00 H new ATOM 768 N GLY A 50 -11.100 -5.724 -0.950 1.00 0.00 N ATOM 769 CA GLY A 50 -12.268 -5.998 -0.133 1.00 0.00 C ATOM 770 C GLY A 50 -12.422 -5.021 0.996 1.00 0.00 C ATOM 771 O GLY A 50 -13.082 -5.302 1.988 1.00 0.00 O ATOM 0 H GLY A 50 -11.313 -5.360 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.160 -5.969 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.196 -7.007 0.272 1.00 0.00 H new ATOM 775 N MET A 51 -11.794 -3.886 0.862 1.00 0.00 N ATOM 776 CA MET A 51 -11.865 -2.884 1.883 1.00 0.00 C ATOM 777 C MET A 51 -12.755 -1.754 1.459 1.00 0.00 C ATOM 778 O MET A 51 -13.780 -1.509 2.073 1.00 0.00 O ATOM 779 CB MET A 51 -10.500 -2.385 2.213 1.00 0.00 C ATOM 780 CG MET A 51 -9.619 -3.407 2.915 1.00 0.00 C ATOM 781 SD MET A 51 -10.378 -4.053 4.413 1.00 0.00 S ATOM 782 CE MET A 51 -9.196 -5.311 4.885 1.00 0.00 C ATOM 0 H MET A 51 -11.227 -3.633 0.053 1.00 0.00 H new ATOM 0 HA MET A 51 -12.295 -3.333 2.778 1.00 0.00 H new ATOM 0 HB2 MET A 51 -10.008 -2.068 1.293 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.591 -1.503 2.847 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.409 -4.231 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.662 -2.948 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.272 -5.499 5.956 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.406 -6.231 4.340 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.188 -4.971 4.647 1.00 0.00 H new ATOM 792 N THR A 52 -12.337 -1.061 0.396 1.00 0.00 N ATOM 793 CA THR A 52 -13.100 -0.004 -0.298 1.00 0.00 C ATOM 794 C THR A 52 -13.372 1.236 0.587 1.00 0.00 C ATOM 795 O THR A 52 -14.164 2.102 0.219 1.00 0.00 O ATOM 796 CB THR A 52 -14.451 -0.566 -0.878 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.421 -0.815 0.160 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.189 -1.878 -1.581 1.00 0.00 C ATOM 0 H THR A 52 -11.423 -1.223 -0.026 1.00 0.00 H new ATOM 0 HA THR A 52 -12.467 0.328 -1.121 1.00 0.00 H new ATOM 0 HB THR A 52 -14.846 0.185 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.987 -0.750 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.124 -2.268 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.482 -1.720 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.772 -2.594 -0.872 1.00 0.00 H new ATOM 806 N SER A 53 -12.686 1.321 1.705 1.00 0.00 N ATOM 807 CA SER A 53 -12.858 2.365 2.671 1.00 0.00 C ATOM 808 C SER A 53 -12.597 3.747 2.047 1.00 0.00 C ATOM 809 O SER A 53 -11.517 4.000 1.500 1.00 0.00 O ATOM 810 CB SER A 53 -11.898 2.071 3.777 1.00 0.00 C ATOM 811 OG SER A 53 -11.963 0.678 4.097 1.00 0.00 O ATOM 0 H SER A 53 -11.973 0.641 1.968 1.00 0.00 H new ATOM 0 HA SER A 53 -13.882 2.395 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.885 2.341 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.141 2.670 4.655 1.00 0.00 H new ATOM 0 HG SER A 53 -11.334 0.479 4.821 1.00 0.00 H new ATOM 817 N SER A 54 -13.593 4.613 2.126 1.00 0.00 N ATOM 818 CA SER A 54 -13.575 5.920 1.497 1.00 0.00 C ATOM 819 C SER A 54 -12.372 6.789 1.894 1.00 0.00 C ATOM 820 O SER A 54 -11.849 7.545 1.059 1.00 0.00 O ATOM 821 CB SER A 54 -14.882 6.655 1.791 1.00 0.00 C ATOM 822 OG SER A 54 -16.000 5.890 1.356 1.00 0.00 O ATOM 0 H SER A 54 -14.453 4.422 2.640 1.00 0.00 H new ATOM 0 HA SER A 54 -13.473 5.744 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.963 6.850 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.881 7.623 1.290 1.00 0.00 H new ATOM 0 HG SER A 54 -16.827 6.377 1.555 1.00 0.00 H new ATOM 828 N GLN A 55 -11.915 6.690 3.139 1.00 0.00 N ATOM 829 CA GLN A 55 -10.804 7.523 3.554 1.00 0.00 C ATOM 830 C GLN A 55 -9.499 6.959 3.084 1.00 0.00 C ATOM 831 O GLN A 55 -8.591 7.695 2.702 1.00 0.00 O ATOM 832 CB GLN A 55 -10.829 7.811 5.055 1.00 0.00 C ATOM 833 CG GLN A 55 -10.531 6.676 6.026 1.00 0.00 C ATOM 834 CD GLN A 55 -9.077 6.632 6.500 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.709 7.353 7.433 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.314 5.708 6.016 1.00 0.00 N ATOM 0 H GLN A 55 -12.285 6.062 3.853 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.917 8.493 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.112 8.608 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.816 8.203 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.183 6.773 6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.776 5.728 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.643 5.127 5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.383 5.560 6.405 1.00 0.00 H new ATOM 845 N ASP A 56 -9.436 5.657 3.042 1.00 0.00 N ATOM 846 CA ASP A 56 -8.250 4.958 2.611 1.00 0.00 C ATOM 847 C ASP A 56 -8.062 5.202 1.166 1.00 0.00 C ATOM 848 O ASP A 56 -6.990 5.563 0.739 1.00 0.00 O ATOM 849 CB ASP A 56 -8.362 3.460 2.856 1.00 0.00 C ATOM 850 CG ASP A 56 -8.524 3.137 4.300 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.537 3.573 4.887 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.642 2.535 4.875 1.00 0.00 O ATOM 0 H ASP A 56 -10.208 5.045 3.306 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.400 5.328 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.212 3.065 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.471 2.963 2.472 1.00 0.00 H new ATOM 857 N ARG A 57 -9.166 5.090 0.432 1.00 0.00 N ATOM 858 CA ARG A 57 -9.232 5.307 -1.009 1.00 0.00 C ATOM 859 C ARG A 57 -8.604 6.610 -1.443 1.00 0.00 C ATOM 860 O ARG A 57 -8.098 6.707 -2.545 1.00 0.00 O ATOM 861 CB ARG A 57 -10.681 5.231 -1.487 1.00 0.00 C ATOM 862 CG ARG A 57 -11.166 3.816 -1.725 1.00 0.00 C ATOM 863 CD ARG A 57 -10.555 3.266 -2.999 1.00 0.00 C ATOM 864 NE ARG A 57 -11.099 3.950 -4.179 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.445 4.766 -5.030 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.194 5.168 -4.790 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.077 5.224 -6.087 1.00 0.00 N ATOM 0 H ARG A 57 -10.067 4.838 0.837 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.649 4.512 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.325 5.707 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.781 5.801 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.896 3.183 -0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.253 3.803 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.472 3.388 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.753 2.197 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.086 3.789 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.711 4.857 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.721 5.786 -5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.048 4.961 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.596 5.842 -6.740 1.00 0.00 H new ATOM 881 N ALA A 58 -8.638 7.586 -0.575 1.00 0.00 N ATOM 882 CA ALA A 58 -8.064 8.870 -0.863 1.00 0.00 C ATOM 883 C ALA A 58 -6.664 8.996 -0.260 1.00 0.00 C ATOM 884 O ALA A 58 -5.756 9.558 -0.883 1.00 0.00 O ATOM 885 CB ALA A 58 -8.976 9.965 -0.339 1.00 0.00 C ATOM 0 H ALA A 58 -9.064 7.512 0.349 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.966 8.974 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.539 10.939 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.951 9.888 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.094 9.855 0.739 1.00 0.00 H new ATOM 891 N LEU A 59 -6.478 8.439 0.923 1.00 0.00 N ATOM 892 CA LEU A 59 -5.219 8.583 1.646 1.00 0.00 C ATOM 893 C LEU A 59 -4.099 7.742 1.066 1.00 0.00 C ATOM 894 O LEU A 59 -3.006 8.262 0.785 1.00 0.00 O ATOM 895 CB LEU A 59 -5.352 8.266 3.122 1.00 0.00 C ATOM 896 CG LEU A 59 -4.064 8.509 3.914 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.599 9.948 3.765 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.228 8.154 5.360 1.00 0.00 C ATOM 0 H LEU A 59 -7.181 7.881 1.407 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.960 9.635 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.151 8.874 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.649 7.224 3.237 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.298 7.854 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.683 10.095 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.409 10.162 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.371 10.620 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.293 8.340 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.019 8.763 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.491 7.100 5.448 1.00 0.00 H new ATOM 910 N VAL A 60 -4.352 6.449 0.874 1.00 0.00 N ATOM 911 CA VAL A 60 -3.333 5.547 0.328 1.00 0.00 C ATOM 912 C VAL A 60 -2.971 6.006 -1.075 1.00 0.00 C ATOM 913 O VAL A 60 -1.853 5.873 -1.519 1.00 0.00 O ATOM 914 CB VAL A 60 -3.795 4.045 0.280 1.00 0.00 C ATOM 915 CG1 VAL A 60 -4.999 3.859 -0.598 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.694 3.201 -0.249 1.00 0.00 C ATOM 0 H VAL A 60 -5.245 6.003 1.085 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.472 5.591 0.995 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.056 3.751 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.286 2.807 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.825 4.458 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.761 4.176 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.017 2.160 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.433 3.531 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.823 3.291 0.400 1.00 0.00 H new ATOM 926 N LYS A 61 -3.905 6.689 -1.664 1.00 0.00 N ATOM 927 CA LYS A 61 -3.842 7.106 -3.034 1.00 0.00 C ATOM 928 C LYS A 61 -2.853 8.239 -3.186 1.00 0.00 C ATOM 929 O LYS A 61 -2.220 8.405 -4.221 1.00 0.00 O ATOM 930 CB LYS A 61 -5.235 7.515 -3.485 1.00 0.00 C ATOM 931 CG LYS A 61 -5.340 7.896 -4.938 1.00 0.00 C ATOM 932 CD LYS A 61 -4.899 6.761 -5.837 1.00 0.00 C ATOM 933 CE LYS A 61 -5.045 7.155 -7.267 1.00 0.00 C ATOM 934 NZ LYS A 61 -4.536 6.118 -8.195 1.00 0.00 N ATOM 0 H LYS A 61 -4.760 6.981 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.497 6.286 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.922 6.692 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.566 8.358 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.369 8.169 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.726 8.775 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.861 6.502 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.496 5.872 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.096 7.347 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.509 8.088 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.486 6.508 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.587 5.818 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.177 5.299 -8.186 1.00 0.00 H new ATOM 948 N LYS A 62 -2.686 8.962 -2.129 1.00 0.00 N ATOM 949 CA LYS A 62 -1.765 10.060 -2.106 1.00 0.00 C ATOM 950 C LYS A 62 -0.400 9.545 -1.697 1.00 0.00 C ATOM 951 O LYS A 62 0.630 9.937 -2.238 1.00 0.00 O ATOM 952 CB LYS A 62 -2.265 11.150 -1.145 1.00 0.00 C ATOM 953 CG LYS A 62 -1.271 12.276 -0.928 1.00 0.00 C ATOM 954 CD LYS A 62 -1.894 13.489 -0.244 1.00 0.00 C ATOM 955 CE LYS A 62 -2.411 13.177 1.152 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.016 14.363 1.780 1.00 0.00 N ATOM 0 H LYS A 62 -3.184 8.811 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.689 10.507 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.194 11.567 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.499 10.694 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.441 11.910 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.857 12.579 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.153 14.286 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.715 13.863 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.149 12.376 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.591 12.814 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.358 14.116 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.304 15.118 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.813 14.694 1.200 1.00 0.00 H new ATOM 970 N LYS A 63 -0.425 8.608 -0.797 1.00 0.00 N ATOM 971 CA LYS A 63 0.766 8.040 -0.248 1.00 0.00 C ATOM 972 C LYS A 63 1.509 7.197 -1.291 1.00 0.00 C ATOM 973 O LYS A 63 2.721 7.256 -1.390 1.00 0.00 O ATOM 974 CB LYS A 63 0.405 7.163 0.919 1.00 0.00 C ATOM 975 CG LYS A 63 1.385 7.270 2.064 1.00 0.00 C ATOM 976 CD LYS A 63 1.287 8.618 2.770 1.00 0.00 C ATOM 977 CE LYS A 63 -0.078 8.845 3.432 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.061 10.073 4.258 1.00 0.00 N ATOM 0 H LYS A 63 -1.286 8.212 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 63 1.417 8.854 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.590 7.431 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.356 6.126 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.196 6.470 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.399 7.129 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.068 8.684 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.473 9.415 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.850 8.926 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.334 7.987 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.659 9.935 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.914 10.277 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.426 10.871 3.701 1.00 0.00 H new ATOM 992 N LEU A 64 0.757 6.431 -2.069 1.00 0.00 N ATOM 993 CA LEU A 64 1.317 5.525 -3.075 1.00 0.00 C ATOM 994 C LEU A 64 2.048 6.273 -4.182 1.00 0.00 C ATOM 995 O LEU A 64 3.031 5.781 -4.737 1.00 0.00 O ATOM 996 CB LEU A 64 0.216 4.580 -3.632 1.00 0.00 C ATOM 997 CG LEU A 64 -0.920 5.186 -4.506 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.510 5.335 -5.967 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.189 4.363 -4.388 1.00 0.00 C ATOM 0 H LEU A 64 -0.262 6.417 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 64 2.069 4.907 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.711 3.809 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.251 4.081 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.115 6.188 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.337 5.762 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.356 5.993 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.256 4.357 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.969 4.806 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.994 3.344 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.517 4.347 -3.349 1.00 0.00 H new ATOM 1011 N LYS A 65 1.599 7.468 -4.476 1.00 0.00 N ATOM 1012 CA LYS A 65 2.220 8.229 -5.546 1.00 0.00 C ATOM 1013 C LYS A 65 3.471 8.944 -5.071 1.00 0.00 C ATOM 1014 O LYS A 65 4.405 9.168 -5.840 1.00 0.00 O ATOM 1015 CB LYS A 65 1.229 9.174 -6.241 1.00 0.00 C ATOM 1016 CG LYS A 65 0.540 10.181 -5.333 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.449 11.053 -6.106 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.576 10.226 -6.719 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.469 11.034 -7.568 1.00 0.00 N ATOM 0 H LYS A 65 0.823 7.932 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 65 2.536 7.514 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.760 9.718 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.465 8.573 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.015 9.654 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.289 10.814 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.871 11.804 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.079 11.589 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.148 9.418 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.158 9.763 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.217 10.428 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.900 11.790 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.921 11.455 -8.345 1.00 0.00 H new ATOM 1033 N GLU A 66 3.521 9.257 -3.793 1.00 0.00 N ATOM 1034 CA GLU A 66 4.687 9.909 -3.242 1.00 0.00 C ATOM 1035 C GLU A 66 5.619 8.873 -2.637 1.00 0.00 C ATOM 1036 O GLU A 66 6.676 9.208 -2.112 1.00 0.00 O ATOM 1037 CB GLU A 66 4.307 10.954 -2.204 1.00 0.00 C ATOM 1038 CG GLU A 66 3.673 10.383 -0.963 1.00 0.00 C ATOM 1039 CD GLU A 66 3.219 11.459 -0.019 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.100 11.978 -0.182 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.972 11.810 0.911 1.00 0.00 O ATOM 0 H GLU A 66 2.775 9.072 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 66 5.201 10.426 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.200 11.511 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.618 11.667 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.821 9.763 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.387 9.734 -0.457 1.00 0.00 H new ATOM 1048 N MET A 67 5.232 7.605 -2.740 1.00 0.00 N ATOM 1049 CA MET A 67 6.033 6.488 -2.240 1.00 0.00 C ATOM 1050 C MET A 67 7.419 6.532 -2.793 1.00 0.00 C ATOM 1051 O MET A 67 8.371 6.345 -2.106 1.00 0.00 O ATOM 1052 CB MET A 67 5.418 5.147 -2.617 1.00 0.00 C ATOM 1053 CG MET A 67 4.618 4.437 -1.534 1.00 0.00 C ATOM 1054 SD MET A 67 5.649 3.716 -0.212 1.00 0.00 S ATOM 1055 CE MET A 67 6.198 5.147 0.734 1.00 0.00 C ATOM 0 H MET A 67 4.353 7.321 -3.173 1.00 0.00 H new ATOM 0 HA MET A 67 6.059 6.587 -1.155 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.766 5.301 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.220 4.483 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.917 5.144 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.025 3.645 -1.993 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.532 4.825 1.720 1.00 0.00 H new ATOM 0 HE2 MET A 67 7.023 5.633 0.213 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.372 5.850 0.842 1.00 0.00 H new ATOM 1065 N LYS A 68 7.516 6.890 -4.010 1.00 0.00 N ATOM 1066 CA LYS A 68 8.784 6.870 -4.716 1.00 0.00 C ATOM 1067 C LYS A 68 9.675 8.064 -4.404 1.00 0.00 C ATOM 1068 O LYS A 68 10.755 8.200 -4.953 1.00 0.00 O ATOM 1069 CB LYS A 68 8.530 6.709 -6.190 1.00 0.00 C ATOM 1070 CG LYS A 68 7.549 7.728 -6.767 1.00 0.00 C ATOM 1071 CD LYS A 68 7.108 7.338 -8.159 1.00 0.00 C ATOM 1072 CE LYS A 68 6.008 8.257 -8.669 1.00 0.00 C ATOM 1073 NZ LYS A 68 5.493 7.810 -9.972 1.00 0.00 N ATOM 0 H LYS A 68 6.728 7.212 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 68 9.352 6.011 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.478 6.791 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.146 5.706 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.678 7.807 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.017 8.712 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.961 7.377 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.751 6.308 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.193 8.287 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.393 9.273 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.745 8.458 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.266 7.805 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.103 6.850 -9.881 1.00 0.00 H new ATOM 1087 N MET A 69 9.221 8.902 -3.540 1.00 0.00 N ATOM 1088 CA MET A 69 10.019 10.007 -3.071 1.00 0.00 C ATOM 1089 C MET A 69 10.025 10.009 -1.553 1.00 0.00 C ATOM 1090 O MET A 69 10.578 10.917 -0.923 1.00 0.00 O ATOM 1091 CB MET A 69 9.490 11.357 -3.610 1.00 0.00 C ATOM 1092 CG MET A 69 8.082 11.712 -3.145 1.00 0.00 C ATOM 1093 SD MET A 69 7.478 13.292 -3.777 1.00 0.00 S ATOM 1094 CE MET A 69 7.527 13.011 -5.552 1.00 0.00 C ATOM 0 H MET A 69 8.288 8.851 -3.131 1.00 0.00 H new ATOM 0 HA MET A 69 11.036 9.884 -3.443 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.172 12.150 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.504 11.330 -4.700 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.398 10.922 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.066 11.738 -2.055 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.929 13.769 -6.057 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.558 13.070 -5.901 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.124 12.023 -5.775 1.00 0.00 H new ATOM 1104 N SER A 70 9.420 8.985 -0.950 1.00 0.00 N ATOM 1105 CA SER A 70 9.306 8.974 0.486 1.00 0.00 C ATOM 1106 C SER A 70 9.458 7.556 1.083 1.00 0.00 C ATOM 1107 O SER A 70 9.506 7.414 2.301 1.00 0.00 O ATOM 1108 CB SER A 70 7.955 9.573 0.863 1.00 0.00 C ATOM 1109 OG SER A 70 7.930 10.067 2.194 1.00 0.00 O ATOM 0 H SER A 70 9.016 8.180 -1.428 1.00 0.00 H new ATOM 0 HA SER A 70 10.119 9.567 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.716 10.383 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.180 8.815 0.746 1.00 0.00 H new ATOM 0 HG SER A 70 7.654 9.351 2.804 1.00 0.00 H new ATOM 1115 N LEU A 71 9.529 6.513 0.230 1.00 0.00 N ATOM 1116 CA LEU A 71 9.673 5.117 0.671 1.00 0.00 C ATOM 1117 C LEU A 71 10.798 4.906 1.645 1.00 0.00 C ATOM 1118 O LEU A 71 10.692 4.086 2.553 1.00 0.00 O ATOM 1119 CB LEU A 71 9.783 4.167 -0.541 1.00 0.00 C ATOM 1120 CG LEU A 71 10.947 4.384 -1.572 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.283 3.838 -1.084 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.597 3.792 -2.928 1.00 0.00 C ATOM 0 H LEU A 71 9.488 6.619 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 71 8.764 4.874 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.869 3.151 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.843 4.222 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 71 11.062 5.463 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.048 4.018 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.564 4.338 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.195 2.766 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.422 3.958 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.421 2.722 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.697 4.272 -3.313 1.00 0.00 H new ATOM 1134 N GLU A 72 11.862 5.629 1.448 1.00 0.00 N ATOM 1135 CA GLU A 72 12.998 5.539 2.322 1.00 0.00 C ATOM 1136 C GLU A 72 12.697 6.101 3.706 1.00 0.00 C ATOM 1137 O GLU A 72 13.009 5.480 4.731 1.00 0.00 O ATOM 1138 CB GLU A 72 14.186 6.276 1.717 1.00 0.00 C ATOM 1139 CG GLU A 72 15.254 6.634 2.730 1.00 0.00 C ATOM 1140 CD GLU A 72 16.448 7.295 2.127 1.00 0.00 C ATOM 1141 OE1 GLU A 72 16.380 8.511 1.848 1.00 0.00 O ATOM 1142 OE2 GLU A 72 17.486 6.629 1.943 1.00 0.00 O ATOM 0 H GLU A 72 11.968 6.294 0.682 1.00 0.00 H new ATOM 0 HA GLU A 72 13.239 4.482 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.629 5.657 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.832 7.188 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.823 7.295 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.572 5.728 3.247 1.00 0.00 H new ATOM 1149 N LYS A 73 12.066 7.236 3.725 1.00 0.00 N ATOM 1150 CA LYS A 73 11.906 7.971 4.942 1.00 0.00 C ATOM 1151 C LYS A 73 10.641 7.607 5.726 1.00 0.00 C ATOM 1152 O LYS A 73 10.728 7.161 6.865 1.00 0.00 O ATOM 1153 CB LYS A 73 12.015 9.491 4.685 1.00 0.00 C ATOM 1154 CG LYS A 73 11.129 10.021 3.560 1.00 0.00 C ATOM 1155 CD LYS A 73 11.316 11.513 3.334 1.00 0.00 C ATOM 1156 CE LYS A 73 10.840 12.341 4.519 1.00 0.00 C ATOM 1157 NZ LYS A 73 11.047 13.790 4.297 1.00 0.00 N ATOM 0 H LYS A 73 11.651 7.676 2.904 1.00 0.00 H new ATOM 0 HA LYS A 73 12.731 7.673 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.763 10.019 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.053 9.732 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.356 9.485 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.084 9.820 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.370 11.721 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.769 11.814 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.782 12.148 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.375 12.031 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.710 14.320 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.060 13.978 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.517 14.091 3.455 1.00 0.00 H new ATOM 1171 N ALA A 74 9.490 7.770 5.113 1.00 0.00 N ATOM 1172 CA ALA A 74 8.214 7.575 5.767 1.00 0.00 C ATOM 1173 C ALA A 74 7.136 7.553 4.720 1.00 0.00 C ATOM 1174 O ALA A 74 6.920 8.599 4.072 1.00 0.00 O ATOM 1175 CB ALA A 74 7.940 8.692 6.781 1.00 0.00 C ATOM 1176 OXT ALA A 74 6.486 6.515 4.540 1.00 0.00 O ATOM 0 H ALA A 74 9.412 8.045 4.134 1.00 0.00 H new ATOM 0 HA ALA A 74 8.230 6.630 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.975 8.522 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.724 8.696 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.926 9.654 6.268 1.00 0.00 H new TER 1182 ALA A 74