USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1053 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 92 LYS NZ :NH3+ -125:sc= -0.477 (180deg=0) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -163:sc= -7.26! (180deg=-4.91!) USER MOD Set 2.1: A 45 ASN : amide:sc= -1.28! C(o=-1.3!,f=-11!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 158:sc= -0.979 (180deg=-0.414) USER MOD Set 3.2: A 35 ASN : amide:sc= -3.57! C(o=-4.5!,f=-6!) USER MOD Single : A 1 ALA N :NH3+ 146:sc= -7.8! (180deg=-8.6!) USER MOD Single : A 4 SER OG : rot -30:sc= -1.83! USER MOD Single : A 5 THR OG1 : rot -91:sc= -0.634 USER MOD Single : A 11 SER OG : rot -6:sc= -0.977 USER MOD Single : A 13 ASN : amide:sc= -3.82! C(o=-3.8!,f=-18!) USER MOD Single : A 14 TYR OH : rot -15:sc= -2.7! USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.379 (180deg=-1.3!) USER MOD Single : A 18 MET CE :methyl 158:sc= -0.285 (180deg=-1.84) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -1.18 (180deg=-1.67!) USER MOD Single : A 21 MET CE :methyl 167:sc= -0.661 (180deg=-0.751) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.868 F(o=-8.1!,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0166 (180deg=-0.313) USER MOD Single : A 33 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.37) USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -1.21 (180deg=-3.35!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 48 THR OG1 : rot -10:sc= 0.608 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -33:sc= -0.176! USER MOD Single : A 53 SER OG : rot -160:sc= -0.368 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.458 F(o=-4.9!,f=-0.46) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0711 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.146 F(o=-3.1!,f=-0.15) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.26! C(o=-4.9!,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 81 THR OG1 : rot -87:sc= -1.56! USER MOD Single : A 83 SER OG : rot 180:sc= -0.171 USER MOD Single : A 87 ASN : amide:sc= -0.431 K(o=-0.43,f=-2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 28:sc= -0.945! USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.462 F(o=-1.7,f=-0.46) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 60:sc= -0.223! USER MOD Single : A 115 GLN : amide:sc= -0.219 K(o=-0.22,f=-5.7!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -100:sc= -2.39 USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= -3.07 (180deg=-3.26) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 113.210 4.347 -5.150 1.00 0.00 N ATOM 2 CA ALA A 1 113.866 5.652 -5.442 1.00 0.00 C ATOM 3 C ALA A 1 114.493 5.613 -6.836 1.00 0.00 C ATOM 4 O ALA A 1 115.504 6.236 -7.090 1.00 0.00 O ATOM 5 CB ALA A 1 114.953 5.922 -4.399 1.00 0.00 C ATOM 0 H1 ALA A 1 113.299 4.133 -4.136 1.00 0.00 H new ATOM 0 H2 ALA A 1 112.203 4.400 -5.405 1.00 0.00 H new ATOM 0 H3 ALA A 1 113.669 3.596 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 1 113.121 6.447 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.433 6.877 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 1 114.504 5.955 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 1 115.697 5.126 -4.434 1.00 0.00 H new ATOM 13 N PHE A 2 113.899 4.889 -7.743 1.00 0.00 N ATOM 14 CA PHE A 2 114.459 4.816 -9.123 1.00 0.00 C ATOM 15 C PHE A 2 114.294 6.167 -9.803 1.00 0.00 C ATOM 16 O PHE A 2 114.418 6.289 -11.006 1.00 0.00 O ATOM 17 CB PHE A 2 113.685 3.788 -9.942 1.00 0.00 C ATOM 18 CG PHE A 2 114.411 2.469 -10.005 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.741 1.300 -9.630 1.00 0.00 C ATOM 20 CD2 PHE A 2 115.728 2.405 -10.470 1.00 0.00 C ATOM 21 CE1 PHE A 2 114.386 0.064 -9.718 1.00 0.00 C ATOM 22 CE2 PHE A 2 116.378 1.169 -10.554 1.00 0.00 C ATOM 23 CZ PHE A 2 115.708 -0.002 -10.178 1.00 0.00 C ATOM 0 H PHE A 2 113.050 4.345 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 2 115.511 4.537 -9.061 1.00 0.00 H new ATOM 0 HB2 PHE A 2 112.698 3.640 -9.503 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.531 4.168 -10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 2 112.723 1.353 -9.272 1.00 0.00 H new ATOM 0 HD2 PHE A 2 116.243 3.308 -10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 2 113.867 -0.839 -9.432 1.00 0.00 H new ATOM 0 HE2 PHE A 2 117.397 1.118 -10.909 1.00 0.00 H new ATOM 0 HZ PHE A 2 116.210 -0.956 -10.243 1.00 0.00 H new ATOM 33 N ASP A 3 113.995 7.170 -9.049 1.00 0.00 N ATOM 34 CA ASP A 3 113.792 8.514 -9.657 1.00 0.00 C ATOM 35 C ASP A 3 113.015 8.350 -10.971 1.00 0.00 C ATOM 36 O ASP A 3 113.389 8.891 -11.993 1.00 0.00 O ATOM 37 CB ASP A 3 115.150 9.158 -9.942 1.00 0.00 C ATOM 38 CG ASP A 3 114.958 10.647 -10.237 1.00 0.00 C ATOM 39 OD1 ASP A 3 114.180 11.274 -9.538 1.00 0.00 O ATOM 40 OD2 ASP A 3 115.593 11.135 -11.158 1.00 0.00 O ATOM 0 H ASP A 3 113.880 7.127 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 3 113.232 9.150 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.812 9.029 -9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.626 8.667 -10.791 1.00 0.00 H new ATOM 45 N SER A 4 111.941 7.596 -10.956 1.00 0.00 N ATOM 46 CA SER A 4 111.157 7.393 -12.213 1.00 0.00 C ATOM 47 C SER A 4 109.875 6.598 -11.922 1.00 0.00 C ATOM 48 O SER A 4 109.339 6.639 -10.832 1.00 0.00 O ATOM 49 CB SER A 4 112.011 6.626 -13.223 1.00 0.00 C ATOM 50 OG SER A 4 111.621 5.260 -13.227 1.00 0.00 O ATOM 0 H SER A 4 111.577 7.116 -10.133 1.00 0.00 H new ATOM 0 HA SER A 4 110.883 8.366 -12.620 1.00 0.00 H new ATOM 0 HB2 SER A 4 111.889 7.054 -14.218 1.00 0.00 H new ATOM 0 HB3 SER A 4 113.066 6.714 -12.965 1.00 0.00 H new ATOM 0 HG SER A 4 111.296 5.010 -12.337 1.00 0.00 H new ATOM 56 N THR A 5 109.377 5.882 -12.902 1.00 0.00 N ATOM 57 CA THR A 5 108.124 5.090 -12.702 1.00 0.00 C ATOM 58 C THR A 5 108.450 3.594 -12.625 1.00 0.00 C ATOM 59 O THR A 5 109.137 3.052 -13.468 1.00 0.00 O ATOM 60 CB THR A 5 107.173 5.341 -13.874 1.00 0.00 C ATOM 61 OG1 THR A 5 106.712 6.685 -13.827 1.00 0.00 O ATOM 62 CG2 THR A 5 105.981 4.388 -13.780 1.00 0.00 C ATOM 0 H THR A 5 109.786 5.813 -13.834 1.00 0.00 H new ATOM 0 HA THR A 5 107.653 5.400 -11.769 1.00 0.00 H new ATOM 0 HB THR A 5 107.699 5.169 -14.813 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.882 6.728 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.304 4.568 -14.615 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.335 3.358 -13.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.452 4.558 -12.842 1.00 0.00 H new ATOM 70 N TRP A 6 107.961 2.928 -11.612 1.00 0.00 N ATOM 71 CA TRP A 6 108.236 1.469 -11.458 1.00 0.00 C ATOM 72 C TRP A 6 106.979 0.782 -10.914 1.00 0.00 C ATOM 73 O TRP A 6 106.047 1.436 -10.490 1.00 0.00 O ATOM 74 CB TRP A 6 109.406 1.280 -10.493 1.00 0.00 C ATOM 75 CG TRP A 6 110.632 1.864 -11.112 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.842 3.183 -11.321 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.814 1.178 -11.613 1.00 0.00 C ATOM 78 NE1 TRP A 6 112.065 3.348 -11.936 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.708 2.142 -12.130 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.192 -0.172 -11.669 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.934 1.781 -12.686 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.428 -0.543 -12.227 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.296 0.432 -12.736 1.00 0.00 C ATOM 0 H TRP A 6 107.379 3.335 -10.880 1.00 0.00 H new ATOM 0 HA TRP A 6 108.496 1.027 -12.420 1.00 0.00 H new ATOM 0 HB2 TRP A 6 109.194 1.767 -9.541 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.556 0.221 -10.283 1.00 0.00 H new ATOM 0 HD1 TRP A 6 110.163 3.978 -11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 6 112.448 4.252 -12.214 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.529 -0.931 -11.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.599 2.538 -13.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 113.710 -1.585 -12.263 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.243 0.142 -13.166 1.00 0.00 H new ATOM 94 N LYS A 7 106.927 -0.525 -10.934 1.00 0.00 N ATOM 95 CA LYS A 7 105.703 -1.213 -10.428 1.00 0.00 C ATOM 96 C LYS A 7 106.044 -2.612 -9.905 1.00 0.00 C ATOM 97 O LYS A 7 106.814 -3.339 -10.500 1.00 0.00 O ATOM 98 CB LYS A 7 104.689 -1.329 -11.571 1.00 0.00 C ATOM 99 CG LYS A 7 104.967 -2.596 -12.385 1.00 0.00 C ATOM 100 CD LYS A 7 104.222 -2.517 -13.720 1.00 0.00 C ATOM 101 CE LYS A 7 104.155 -3.909 -14.349 1.00 0.00 C ATOM 102 NZ LYS A 7 103.195 -4.756 -13.586 1.00 0.00 N ATOM 0 H LYS A 7 107.668 -1.138 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 7 105.283 -0.631 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.676 -1.359 -11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.751 -0.451 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.038 -2.702 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 7 104.646 -3.477 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.216 -2.128 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.731 -1.826 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 7 103.842 -3.834 -15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.143 -4.369 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 102.865 -5.536 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.668 -5.145 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.382 -4.179 -13.290 1.00 0.00 H new ATOM 116 N VAL A 8 105.461 -2.993 -8.799 1.00 0.00 N ATOM 117 CA VAL A 8 105.726 -4.344 -8.233 1.00 0.00 C ATOM 118 C VAL A 8 105.833 -5.369 -9.359 1.00 0.00 C ATOM 119 O VAL A 8 104.851 -5.759 -9.959 1.00 0.00 O ATOM 120 CB VAL A 8 104.585 -4.730 -7.283 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.272 -4.117 -7.777 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.446 -6.257 -7.230 1.00 0.00 C ATOM 0 H VAL A 8 104.809 -2.421 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 8 106.667 -4.327 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 8 104.810 -4.353 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.464 -4.393 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.366 -3.031 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.050 -4.489 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 8 103.634 -6.525 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.228 -6.637 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.377 -6.695 -6.871 1.00 0.00 H new ATOM 132 N ASP A 9 107.022 -5.824 -9.632 1.00 0.00 N ATOM 133 CA ASP A 9 107.206 -6.843 -10.695 1.00 0.00 C ATOM 134 C ASP A 9 107.263 -8.215 -10.029 1.00 0.00 C ATOM 135 O ASP A 9 106.825 -9.206 -10.577 1.00 0.00 O ATOM 136 CB ASP A 9 108.513 -6.579 -11.447 1.00 0.00 C ATOM 137 CG ASP A 9 108.612 -7.522 -12.646 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.213 -8.573 -12.501 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.086 -7.175 -13.691 1.00 0.00 O ATOM 0 H ASP A 9 107.878 -5.531 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 9 106.381 -6.800 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.549 -5.542 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.364 -6.729 -10.782 1.00 0.00 H new ATOM 144 N ARG A 10 107.789 -8.269 -8.834 1.00 0.00 N ATOM 145 CA ARG A 10 107.867 -9.571 -8.109 1.00 0.00 C ATOM 146 C ARG A 10 107.800 -9.324 -6.597 1.00 0.00 C ATOM 147 O ARG A 10 107.725 -8.199 -6.147 1.00 0.00 O ATOM 148 CB ARG A 10 109.178 -10.286 -8.454 1.00 0.00 C ATOM 149 CG ARG A 10 109.428 -10.210 -9.963 1.00 0.00 C ATOM 150 CD ARG A 10 110.675 -11.024 -10.317 1.00 0.00 C ATOM 151 NE ARG A 10 110.553 -11.536 -11.711 1.00 0.00 N ATOM 152 CZ ARG A 10 109.772 -12.550 -11.967 1.00 0.00 C ATOM 153 NH1 ARG A 10 109.664 -12.997 -13.189 1.00 0.00 N ATOM 154 NH2 ARG A 10 109.100 -13.117 -11.003 1.00 0.00 N ATOM 0 H ARG A 10 108.168 -7.468 -8.329 1.00 0.00 H new ATOM 0 HA ARG A 10 107.028 -10.197 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.006 -9.826 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.130 -11.327 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 10 108.564 -10.595 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 10 109.560 -9.172 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.566 -10.404 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 10 110.790 -11.855 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 10 111.079 -11.094 -12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 10 110.190 -12.554 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 10 109.054 -13.789 -13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.185 -12.768 -10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 10 108.490 -13.909 -11.204 1.00 0.00 H new ATOM 168 N SER A 11 107.821 -10.370 -5.811 1.00 0.00 N ATOM 169 CA SER A 11 107.756 -10.199 -4.329 1.00 0.00 C ATOM 170 C SER A 11 108.012 -11.548 -3.649 1.00 0.00 C ATOM 171 O SER A 11 108.191 -12.555 -4.305 1.00 0.00 O ATOM 172 CB SER A 11 106.369 -9.688 -3.935 1.00 0.00 C ATOM 173 OG SER A 11 106.185 -8.378 -4.453 1.00 0.00 O ATOM 0 H SER A 11 107.880 -11.336 -6.132 1.00 0.00 H new ATOM 0 HA SER A 11 108.512 -9.481 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.600 -10.356 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.267 -9.680 -2.850 1.00 0.00 H new ATOM 0 HG SER A 11 107.020 -8.068 -4.862 1.00 0.00 H new ATOM 179 N GLU A 12 108.033 -11.582 -2.341 1.00 0.00 N ATOM 180 CA GLU A 12 108.278 -12.874 -1.641 1.00 0.00 C ATOM 181 C GLU A 12 107.563 -12.876 -0.284 1.00 0.00 C ATOM 182 O GLU A 12 107.397 -11.848 0.344 1.00 0.00 O ATOM 183 CB GLU A 12 109.787 -13.069 -1.441 1.00 0.00 C ATOM 184 CG GLU A 12 110.197 -12.624 -0.033 1.00 0.00 C ATOM 185 CD GLU A 12 111.714 -12.439 0.023 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.359 -12.695 -0.982 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.206 -12.045 1.067 1.00 0.00 O ATOM 0 H GLU A 12 107.892 -10.775 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 12 107.887 -13.693 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.048 -14.117 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.337 -12.495 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.697 -11.691 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.883 -13.367 0.700 1.00 0.00 H new ATOM 194 N ASN A 13 107.143 -14.031 0.167 1.00 0.00 N ATOM 195 CA ASN A 13 106.441 -14.119 1.481 1.00 0.00 C ATOM 196 C ASN A 13 105.128 -13.333 1.416 1.00 0.00 C ATOM 197 O ASN A 13 104.160 -13.776 0.829 1.00 0.00 O ATOM 198 CB ASN A 13 107.338 -13.545 2.581 1.00 0.00 C ATOM 199 CG ASN A 13 106.781 -13.934 3.951 1.00 0.00 C ATOM 200 OD1 ASN A 13 105.609 -14.229 4.081 1.00 0.00 O ATOM 201 ND2 ASN A 13 107.576 -13.948 4.985 1.00 0.00 N ATOM 0 H ASN A 13 107.257 -14.919 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 13 106.222 -15.163 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.354 -13.923 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.390 -12.460 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 13 107.214 -14.207 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.559 -13.700 4.876 1.00 0.00 H new ATOM 208 N TYR A 14 105.085 -12.172 2.011 1.00 0.00 N ATOM 209 CA TYR A 14 103.835 -11.358 1.980 1.00 0.00 C ATOM 210 C TYR A 14 102.756 -12.034 2.823 1.00 0.00 C ATOM 211 O TYR A 14 102.066 -11.389 3.587 1.00 0.00 O ATOM 212 CB TYR A 14 103.358 -11.211 0.528 1.00 0.00 C ATOM 213 CG TYR A 14 103.301 -9.749 0.144 1.00 0.00 C ATOM 214 CD1 TYR A 14 104.299 -8.865 0.577 1.00 0.00 C ATOM 215 CD2 TYR A 14 102.252 -9.279 -0.655 1.00 0.00 C ATOM 216 CE1 TYR A 14 104.245 -7.515 0.213 1.00 0.00 C ATOM 217 CE2 TYR A 14 102.198 -7.928 -1.019 1.00 0.00 C ATOM 218 CZ TYR A 14 103.195 -7.046 -0.584 1.00 0.00 C ATOM 219 OH TYR A 14 103.142 -5.715 -0.944 1.00 0.00 O ATOM 0 H TYR A 14 105.863 -11.751 2.518 1.00 0.00 H new ATOM 0 HA TYR A 14 104.034 -10.369 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.034 -11.744 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.373 -11.664 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 14 105.110 -9.226 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.483 -9.959 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 14 105.014 -6.835 0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 14 101.388 -7.566 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 14 103.755 -5.199 -0.380 1.00 0.00 H new ATOM 229 N ASP A 15 102.598 -13.320 2.704 1.00 0.00 N ATOM 230 CA ASP A 15 101.559 -14.000 3.518 1.00 0.00 C ATOM 231 C ASP A 15 101.920 -13.857 4.992 1.00 0.00 C ATOM 232 O ASP A 15 101.103 -13.483 5.809 1.00 0.00 O ATOM 233 CB ASP A 15 101.484 -15.480 3.140 1.00 0.00 C ATOM 234 CG ASP A 15 101.066 -15.613 1.674 1.00 0.00 C ATOM 235 OD1 ASP A 15 101.038 -16.729 1.185 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.781 -14.594 1.066 1.00 0.00 O ATOM 0 H ASP A 15 103.138 -13.924 2.084 1.00 0.00 H new ATOM 0 HA ASP A 15 100.587 -13.544 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.452 -15.956 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.768 -15.994 3.781 1.00 0.00 H new ATOM 241 N LYS A 16 103.145 -14.129 5.338 1.00 0.00 N ATOM 242 CA LYS A 16 103.555 -13.981 6.758 1.00 0.00 C ATOM 243 C LYS A 16 103.366 -12.521 7.153 1.00 0.00 C ATOM 244 O LYS A 16 102.955 -12.207 8.252 1.00 0.00 O ATOM 245 CB LYS A 16 105.025 -14.377 6.920 1.00 0.00 C ATOM 246 CG LYS A 16 105.244 -15.786 6.361 1.00 0.00 C ATOM 247 CD LYS A 16 104.919 -16.822 7.441 1.00 0.00 C ATOM 248 CE LYS A 16 105.313 -18.214 6.947 1.00 0.00 C ATOM 249 NZ LYS A 16 106.721 -18.189 6.460 1.00 0.00 N ATOM 0 H LYS A 16 103.877 -14.446 4.702 1.00 0.00 H new ATOM 0 HA LYS A 16 102.951 -14.627 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.663 -13.665 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.307 -14.345 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.611 -15.945 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.276 -15.901 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 105.455 -16.585 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.855 -16.796 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.209 -18.940 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 16 104.645 -18.529 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 107.106 -19.155 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 106.747 -17.807 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 107.294 -17.587 7.086 1.00 0.00 H new ATOM 263 N PHE A 17 103.646 -11.625 6.248 1.00 0.00 N ATOM 264 CA PHE A 17 103.466 -10.182 6.543 1.00 0.00 C ATOM 265 C PHE A 17 101.977 -9.890 6.652 1.00 0.00 C ATOM 266 O PHE A 17 101.472 -9.520 7.694 1.00 0.00 O ATOM 267 CB PHE A 17 104.057 -9.381 5.390 1.00 0.00 C ATOM 268 CG PHE A 17 103.864 -7.907 5.629 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.832 -7.199 6.332 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.730 -7.250 5.136 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.677 -5.825 6.551 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.570 -5.876 5.355 1.00 0.00 C ATOM 273 CZ PHE A 17 103.545 -5.163 6.063 1.00 0.00 C ATOM 0 H PHE A 17 103.994 -11.835 5.312 1.00 0.00 H new ATOM 0 HA PHE A 17 103.961 -9.913 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.119 -9.605 5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.580 -9.671 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.705 -7.710 6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 17 101.980 -7.802 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.431 -5.276 7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.695 -5.367 4.978 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.423 -4.103 6.232 1.00 0.00 H new ATOM 283 N MET A 18 101.274 -10.069 5.576 1.00 0.00 N ATOM 284 CA MET A 18 99.807 -9.818 5.599 1.00 0.00 C ATOM 285 C MET A 18 99.177 -10.641 6.726 1.00 0.00 C ATOM 286 O MET A 18 98.133 -10.302 7.245 1.00 0.00 O ATOM 287 CB MET A 18 99.190 -10.233 4.260 1.00 0.00 C ATOM 288 CG MET A 18 99.311 -9.087 3.251 1.00 0.00 C ATOM 289 SD MET A 18 100.979 -9.073 2.550 1.00 0.00 S ATOM 290 CE MET A 18 101.016 -7.322 2.095 1.00 0.00 C ATOM 0 H MET A 18 101.649 -10.378 4.679 1.00 0.00 H new ATOM 0 HA MET A 18 99.621 -8.757 5.766 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.694 -11.120 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.142 -10.497 4.399 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.573 -9.207 2.458 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.102 -8.135 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 18 102.051 -6.991 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.508 -7.183 1.140 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.511 -6.736 2.863 1.00 0.00 H new ATOM 300 N GLU A 19 99.806 -11.721 7.112 1.00 0.00 N ATOM 301 CA GLU A 19 99.239 -12.555 8.207 1.00 0.00 C ATOM 302 C GLU A 19 99.564 -11.907 9.552 1.00 0.00 C ATOM 303 O GLU A 19 98.854 -12.080 10.522 1.00 0.00 O ATOM 304 CB GLU A 19 99.851 -13.957 8.153 1.00 0.00 C ATOM 305 CG GLU A 19 99.386 -14.764 9.366 1.00 0.00 C ATOM 306 CD GLU A 19 99.810 -16.225 9.202 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.808 -16.937 10.193 1.00 0.00 O ATOM 308 OE2 GLU A 19 100.131 -16.606 8.088 1.00 0.00 O ATOM 0 H GLU A 19 100.684 -12.058 6.717 1.00 0.00 H new ATOM 0 HA GLU A 19 98.158 -12.629 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.554 -14.460 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.939 -13.890 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.816 -14.350 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.303 -14.698 9.466 1.00 0.00 H new ATOM 315 N LYS A 20 100.630 -11.158 9.618 1.00 0.00 N ATOM 316 CA LYS A 20 100.995 -10.497 10.901 1.00 0.00 C ATOM 317 C LYS A 20 100.021 -9.349 11.165 1.00 0.00 C ATOM 318 O LYS A 20 99.540 -9.171 12.266 1.00 0.00 O ATOM 319 CB LYS A 20 102.429 -9.959 10.813 1.00 0.00 C ATOM 320 CG LYS A 20 103.293 -10.601 11.904 1.00 0.00 C ATOM 321 CD LYS A 20 103.598 -12.053 11.528 1.00 0.00 C ATOM 322 CE LYS A 20 104.627 -12.634 12.505 1.00 0.00 C ATOM 323 NZ LYS A 20 104.855 -11.672 13.621 1.00 0.00 N ATOM 0 H LYS A 20 101.263 -10.976 8.839 1.00 0.00 H new ATOM 0 HA LYS A 20 100.938 -11.217 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.848 -10.175 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.428 -8.875 10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.222 -10.043 12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.774 -10.564 12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.683 -12.645 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 20 103.982 -12.102 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.272 -13.586 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.564 -12.833 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.432 -12.126 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.352 -10.833 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.940 -11.386 14.025 1.00 0.00 H new ATOM 337 N MET A 21 99.723 -8.572 10.163 1.00 0.00 N ATOM 338 CA MET A 21 98.770 -7.444 10.363 1.00 0.00 C ATOM 339 C MET A 21 97.376 -8.013 10.633 1.00 0.00 C ATOM 340 O MET A 21 96.448 -7.291 10.938 1.00 0.00 O ATOM 341 CB MET A 21 98.726 -6.554 9.111 1.00 0.00 C ATOM 342 CG MET A 21 99.895 -6.889 8.183 1.00 0.00 C ATOM 343 SD MET A 21 99.814 -5.836 6.713 1.00 0.00 S ATOM 344 CE MET A 21 100.405 -4.314 7.492 1.00 0.00 C ATOM 0 H MET A 21 100.095 -8.667 9.218 1.00 0.00 H new ATOM 0 HA MET A 21 99.099 -6.841 11.210 1.00 0.00 H new ATOM 0 HB2 MET A 21 97.782 -6.699 8.586 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.771 -5.504 9.400 1.00 0.00 H new ATOM 0 HG2 MET A 21 100.841 -6.736 8.702 1.00 0.00 H new ATOM 0 HG3 MET A 21 99.856 -7.939 7.894 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.655 -3.584 6.722 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.625 -3.909 8.136 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.292 -4.531 8.088 1.00 0.00 H new ATOM 354 N GLY A 22 97.223 -9.305 10.524 1.00 0.00 N ATOM 355 CA GLY A 22 95.890 -9.923 10.775 1.00 0.00 C ATOM 356 C GLY A 22 94.972 -9.671 9.577 1.00 0.00 C ATOM 357 O GLY A 22 93.772 -9.540 9.718 1.00 0.00 O ATOM 0 H GLY A 22 97.964 -9.959 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.001 -10.994 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.448 -9.504 11.679 1.00 0.00 H new ATOM 361 N VAL A 23 95.525 -9.602 8.396 1.00 0.00 N ATOM 362 CA VAL A 23 94.681 -9.358 7.192 1.00 0.00 C ATOM 363 C VAL A 23 93.969 -10.653 6.796 1.00 0.00 C ATOM 364 O VAL A 23 94.393 -11.738 7.144 1.00 0.00 O ATOM 365 CB VAL A 23 95.564 -8.891 6.033 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.681 -8.395 4.886 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.471 -7.752 6.508 1.00 0.00 C ATOM 0 H VAL A 23 96.523 -9.704 8.213 1.00 0.00 H new ATOM 0 HA VAL A 23 93.942 -8.590 7.419 1.00 0.00 H new ATOM 0 HB VAL A 23 96.177 -9.723 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.310 -8.062 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.036 -9.205 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.067 -7.563 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.100 -7.419 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.859 -6.920 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.101 -8.105 7.325 1.00 0.00 H new ATOM 377 N ASN A 24 92.891 -10.550 6.067 1.00 0.00 N ATOM 378 CA ASN A 24 92.155 -11.775 5.647 1.00 0.00 C ATOM 379 C ASN A 24 92.929 -12.473 4.528 1.00 0.00 C ATOM 380 O ASN A 24 93.938 -11.983 4.060 1.00 0.00 O ATOM 381 CB ASN A 24 90.764 -11.385 5.139 1.00 0.00 C ATOM 382 CG ASN A 24 89.819 -12.581 5.269 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.886 -13.548 4.394 1.00 0.00 O flip ATOM 384 ND2 ASN A 24 89.013 -12.637 6.177 1.00 0.00 N flip ATOM 0 H ASN A 24 92.489 -9.670 5.744 1.00 0.00 H new ATOM 0 HA ASN A 24 92.055 -12.450 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.380 -10.541 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.822 -11.065 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.961 -11.881 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.389 -13.440 6.256 1.00 0.00 H new ATOM 391 N ILE A 25 92.471 -13.617 4.096 1.00 0.00 N ATOM 392 CA ILE A 25 93.187 -14.341 3.010 1.00 0.00 C ATOM 393 C ILE A 25 92.729 -13.802 1.661 1.00 0.00 C ATOM 394 O ILE A 25 93.191 -14.207 0.613 1.00 0.00 O ATOM 395 CB ILE A 25 92.883 -15.838 3.114 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.874 -16.495 4.082 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.997 -16.493 1.736 1.00 0.00 C ATOM 398 CD1 ILE A 25 95.195 -16.784 3.364 1.00 0.00 C ATOM 0 H ILE A 25 91.633 -14.080 4.448 1.00 0.00 H new ATOM 0 HA ILE A 25 94.262 -14.190 3.107 1.00 0.00 H new ATOM 0 HB ILE A 25 91.867 -15.972 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 25 94.050 -15.840 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 25 93.453 -17.421 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.779 -17.558 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 25 92.285 -16.030 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 94.008 -16.359 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.893 -17.251 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 25 95.014 -17.457 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.620 -15.851 2.995 1.00 0.00 H new ATOM 410 N VAL A 26 91.830 -12.883 1.699 1.00 0.00 N ATOM 411 CA VAL A 26 91.314 -12.278 0.439 1.00 0.00 C ATOM 412 C VAL A 26 92.323 -11.259 -0.080 1.00 0.00 C ATOM 413 O VAL A 26 92.846 -11.383 -1.170 1.00 0.00 O ATOM 414 CB VAL A 26 89.979 -11.585 0.714 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.397 -11.056 -0.598 1.00 0.00 C ATOM 416 CG2 VAL A 26 89.004 -12.588 1.336 1.00 0.00 C ATOM 0 H VAL A 26 91.418 -12.512 2.555 1.00 0.00 H new ATOM 0 HA VAL A 26 91.167 -13.058 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 26 90.136 -10.754 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.445 -10.562 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 26 90.091 -10.342 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 26 89.239 -11.886 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.052 -12.096 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.848 -13.418 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.417 -12.965 2.271 1.00 0.00 H new ATOM 426 N LYS A 27 92.612 -10.257 0.698 1.00 0.00 N ATOM 427 CA LYS A 27 93.598 -9.235 0.255 1.00 0.00 C ATOM 428 C LYS A 27 94.959 -9.908 0.090 1.00 0.00 C ATOM 429 O LYS A 27 95.787 -9.482 -0.692 1.00 0.00 O ATOM 430 CB LYS A 27 93.698 -8.127 1.307 1.00 0.00 C ATOM 431 CG LYS A 27 92.295 -7.626 1.657 1.00 0.00 C ATOM 432 CD LYS A 27 92.395 -6.253 2.326 1.00 0.00 C ATOM 433 CE LYS A 27 91.184 -6.037 3.237 1.00 0.00 C ATOM 434 NZ LYS A 27 91.454 -6.641 4.572 1.00 0.00 N ATOM 0 H LYS A 27 92.209 -10.101 1.622 1.00 0.00 H new ATOM 0 HA LYS A 27 93.281 -8.799 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 94.194 -8.504 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.305 -7.305 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.686 -7.560 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.801 -8.332 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 27 93.316 -6.186 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.437 -5.470 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.980 -4.971 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.297 -6.489 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 90.632 -6.495 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 91.628 -7.660 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.290 -6.190 4.994 1.00 0.00 H new ATOM 448 N ARG A 28 95.193 -10.963 0.821 1.00 0.00 N ATOM 449 CA ARG A 28 96.495 -11.677 0.712 1.00 0.00 C ATOM 450 C ARG A 28 96.571 -12.390 -0.639 1.00 0.00 C ATOM 451 O ARG A 28 97.590 -12.380 -1.300 1.00 0.00 O ATOM 452 CB ARG A 28 96.604 -12.706 1.839 1.00 0.00 C ATOM 453 CG ARG A 28 98.006 -13.320 1.842 1.00 0.00 C ATOM 454 CD ARG A 28 97.949 -14.720 2.459 1.00 0.00 C ATOM 455 NE ARG A 28 97.588 -15.712 1.408 1.00 0.00 N ATOM 456 CZ ARG A 28 97.835 -16.980 1.595 1.00 0.00 C ATOM 457 NH1 ARG A 28 97.520 -17.849 0.674 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.397 -17.379 2.704 1.00 0.00 N ATOM 0 H ARG A 28 94.536 -11.362 1.491 1.00 0.00 H new ATOM 0 HA ARG A 28 97.313 -10.961 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.402 -12.231 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.855 -13.486 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 28 98.393 -13.375 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.690 -12.689 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.913 -14.975 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 28 97.215 -14.744 3.265 1.00 0.00 H new ATOM 0 HE ARG A 28 97.148 -15.400 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 28 97.081 -17.537 -0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 28 97.713 -18.840 0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.643 -16.700 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.590 -18.370 2.850 1.00 0.00 H new ATOM 472 N LYS A 29 95.498 -13.009 -1.055 1.00 0.00 N ATOM 473 CA LYS A 29 95.512 -13.723 -2.363 1.00 0.00 C ATOM 474 C LYS A 29 95.657 -12.710 -3.500 1.00 0.00 C ATOM 475 O LYS A 29 96.281 -12.977 -4.508 1.00 0.00 O ATOM 476 CB LYS A 29 94.203 -14.497 -2.534 1.00 0.00 C ATOM 477 CG LYS A 29 94.324 -15.449 -3.726 1.00 0.00 C ATOM 478 CD LYS A 29 92.928 -15.799 -4.244 1.00 0.00 C ATOM 479 CE LYS A 29 93.047 -16.805 -5.390 1.00 0.00 C ATOM 480 NZ LYS A 29 93.489 -18.123 -4.851 1.00 0.00 N ATOM 0 H LYS A 29 94.615 -13.051 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 29 96.352 -14.417 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.980 -15.059 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.376 -13.804 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.911 -14.984 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.851 -16.356 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.324 -16.218 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 29 92.420 -14.898 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.088 -16.911 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.761 -16.445 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 93.282 -18.869 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 94.512 -18.097 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.982 -18.324 -3.965 1.00 0.00 H new ATOM 494 N LEU A 30 95.083 -11.549 -3.348 1.00 0.00 N ATOM 495 CA LEU A 30 95.185 -10.519 -4.420 1.00 0.00 C ATOM 496 C LEU A 30 96.462 -9.716 -4.235 1.00 0.00 C ATOM 497 O LEU A 30 96.889 -8.977 -5.099 1.00 0.00 O ATOM 498 CB LEU A 30 93.971 -9.590 -4.371 1.00 0.00 C ATOM 499 CG LEU A 30 92.689 -10.421 -4.442 1.00 0.00 C ATOM 500 CD1 LEU A 30 91.476 -9.490 -4.404 1.00 0.00 C ATOM 501 CD2 LEU A 30 92.674 -11.223 -5.744 1.00 0.00 C ATOM 0 H LEU A 30 94.547 -11.268 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 30 95.209 -11.013 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.986 -9.003 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 30 94.006 -8.884 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 30 92.651 -11.104 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 90.562 -10.081 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 91.486 -8.916 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 91.514 -8.808 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.761 -11.816 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 30 92.712 -10.540 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 30 93.539 -11.886 -5.773 1.00 0.00 H new ATOM 513 N ALA A 31 97.060 -9.863 -3.107 1.00 0.00 N ATOM 514 CA ALA A 31 98.318 -9.122 -2.812 1.00 0.00 C ATOM 515 C ALA A 31 99.495 -9.795 -3.522 1.00 0.00 C ATOM 516 O ALA A 31 100.300 -9.146 -4.159 1.00 0.00 O ATOM 517 CB ALA A 31 98.567 -9.125 -1.302 1.00 0.00 C ATOM 0 H ALA A 31 96.735 -10.472 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 31 98.223 -8.096 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 31 99.487 -8.583 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 97.732 -8.641 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 31 98.659 -10.153 -0.950 1.00 0.00 H new ATOM 523 N ALA A 32 99.604 -11.091 -3.416 1.00 0.00 N ATOM 524 CA ALA A 32 100.733 -11.801 -4.082 1.00 0.00 C ATOM 525 C ALA A 32 100.784 -11.413 -5.559 1.00 0.00 C ATOM 526 O ALA A 32 101.727 -10.800 -6.020 1.00 0.00 O ATOM 527 CB ALA A 32 100.529 -13.313 -3.958 1.00 0.00 C ATOM 0 H ALA A 32 98.961 -11.689 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 32 101.670 -11.519 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.354 -13.833 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.496 -13.591 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.591 -13.594 -4.436 1.00 0.00 H new ATOM 533 N HIS A 33 99.778 -11.767 -6.305 1.00 0.00 N ATOM 534 CA HIS A 33 99.764 -11.421 -7.755 1.00 0.00 C ATOM 535 C HIS A 33 99.371 -9.952 -7.922 1.00 0.00 C ATOM 536 O HIS A 33 98.544 -9.610 -8.743 1.00 0.00 O ATOM 537 CB HIS A 33 98.749 -12.308 -8.482 1.00 0.00 C ATOM 538 CG HIS A 33 98.635 -13.628 -7.772 1.00 0.00 C ATOM 539 ND1 HIS A 33 97.410 -14.168 -7.407 1.00 0.00 N ATOM 540 CD2 HIS A 33 99.583 -14.529 -7.353 1.00 0.00 C ATOM 541 CE1 HIS A 33 97.650 -15.344 -6.797 1.00 0.00 C ATOM 542 NE2 HIS A 33 98.957 -15.609 -6.740 1.00 0.00 N ATOM 0 H HIS A 33 98.962 -12.282 -5.974 1.00 0.00 H new ATOM 0 HA HIS A 33 100.755 -11.583 -8.178 1.00 0.00 H new ATOM 0 HB2 HIS A 33 97.777 -11.815 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 33 99.061 -12.465 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 33 100.650 -14.416 -7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 33 96.881 -15.992 -6.403 1.00 0.00 H new ATOM 0 HE2 HIS A 33 99.403 -16.431 -6.332 1.00 0.00 H new ATOM 550 N ASP A 34 99.956 -9.081 -7.146 1.00 0.00 N ATOM 551 CA ASP A 34 99.612 -7.638 -7.256 1.00 0.00 C ATOM 552 C ASP A 34 100.525 -6.965 -8.284 1.00 0.00 C ATOM 553 O ASP A 34 101.581 -7.465 -8.616 1.00 0.00 O ATOM 554 CB ASP A 34 99.797 -6.965 -5.894 1.00 0.00 C ATOM 555 CG ASP A 34 99.707 -5.447 -6.057 1.00 0.00 C ATOM 556 OD1 ASP A 34 98.611 -4.959 -6.268 1.00 0.00 O ATOM 557 OD2 ASP A 34 100.737 -4.800 -5.968 1.00 0.00 O ATOM 0 H ASP A 34 100.657 -9.308 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 34 98.575 -7.539 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 34 99.033 -7.312 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 34 100.763 -7.239 -5.470 1.00 0.00 H new ATOM 562 N ASN A 35 100.124 -5.831 -8.786 1.00 0.00 N ATOM 563 CA ASN A 35 100.957 -5.112 -9.787 1.00 0.00 C ATOM 564 C ASN A 35 100.842 -3.606 -9.541 1.00 0.00 C ATOM 565 O ASN A 35 100.695 -2.824 -10.459 1.00 0.00 O ATOM 566 CB ASN A 35 100.459 -5.440 -11.197 1.00 0.00 C ATOM 567 CG ASN A 35 101.116 -6.733 -11.685 1.00 0.00 C ATOM 568 OD1 ASN A 35 101.389 -7.622 -10.904 1.00 0.00 O ATOM 569 ND2 ASN A 35 101.383 -6.875 -12.955 1.00 0.00 N ATOM 0 H ASN A 35 99.248 -5.369 -8.543 1.00 0.00 H new ATOM 0 HA ASN A 35 101.998 -5.422 -9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.375 -5.550 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.695 -4.621 -11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.821 -7.733 -13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.154 -6.128 -13.611 1.00 0.00 H new ATOM 576 N LEU A 36 100.891 -3.197 -8.302 1.00 0.00 N ATOM 577 CA LEU A 36 100.767 -1.747 -7.983 1.00 0.00 C ATOM 578 C LEU A 36 101.816 -0.946 -8.763 1.00 0.00 C ATOM 579 O LEU A 36 102.909 -1.415 -9.032 1.00 0.00 O ATOM 580 CB LEU A 36 100.939 -1.551 -6.464 1.00 0.00 C ATOM 581 CG LEU A 36 102.198 -0.733 -6.152 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.899 0.760 -6.323 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.628 -1.004 -4.708 1.00 0.00 C ATOM 0 H LEU A 36 101.012 -3.808 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 36 99.782 -1.384 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.063 -1.045 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 101.002 -2.522 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 36 102.997 -1.020 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.796 1.338 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.588 0.953 -7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.101 1.052 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.523 -0.425 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.826 -0.714 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.842 -2.066 -4.585 1.00 0.00 H new ATOM 595 N LYS A 37 101.484 0.267 -9.118 1.00 0.00 N ATOM 596 CA LYS A 37 102.435 1.132 -9.875 1.00 0.00 C ATOM 597 C LYS A 37 102.733 2.379 -9.042 1.00 0.00 C ATOM 598 O LYS A 37 101.855 2.938 -8.418 1.00 0.00 O ATOM 599 CB LYS A 37 101.787 1.548 -11.203 1.00 0.00 C ATOM 600 CG LYS A 37 102.755 1.292 -12.362 1.00 0.00 C ATOM 601 CD LYS A 37 102.351 2.149 -13.565 1.00 0.00 C ATOM 602 CE LYS A 37 102.581 3.630 -13.249 1.00 0.00 C ATOM 603 NZ LYS A 37 101.297 4.250 -12.814 1.00 0.00 N ATOM 0 H LYS A 37 100.584 0.700 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 37 103.359 0.590 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.865 0.988 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.517 2.604 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.774 1.531 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.743 0.236 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 37 102.933 1.860 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 101.302 1.978 -13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.331 3.733 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.966 4.145 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.953 4.892 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.591 3.505 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.450 4.786 -11.936 1.00 0.00 H new ATOM 617 N LEU A 38 103.959 2.825 -9.020 1.00 0.00 N ATOM 618 CA LEU A 38 104.283 4.033 -8.214 1.00 0.00 C ATOM 619 C LEU A 38 105.389 4.843 -8.894 1.00 0.00 C ATOM 620 O LEU A 38 106.213 4.313 -9.613 1.00 0.00 O ATOM 621 CB LEU A 38 104.751 3.604 -6.822 1.00 0.00 C ATOM 622 CG LEU A 38 105.949 2.650 -6.946 1.00 0.00 C ATOM 623 CD1 LEU A 38 106.906 2.859 -5.770 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.450 1.203 -6.940 1.00 0.00 C ATOM 0 H LEU A 38 104.744 2.409 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 38 103.390 4.653 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 38 105.031 4.480 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.937 3.112 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 38 106.474 2.855 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 107.753 2.179 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 38 107.265 3.888 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.383 2.659 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 38 106.299 0.525 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 38 104.922 1.004 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.773 1.048 -7.780 1.00 0.00 H new ATOM 636 N THR A 39 105.416 6.124 -8.653 1.00 0.00 N ATOM 637 CA THR A 39 106.469 6.987 -9.258 1.00 0.00 C ATOM 638 C THR A 39 107.339 7.543 -8.133 1.00 0.00 C ATOM 639 O THR A 39 106.908 8.366 -7.351 1.00 0.00 O ATOM 640 CB THR A 39 105.815 8.140 -10.023 1.00 0.00 C ATOM 641 OG1 THR A 39 104.589 7.696 -10.586 1.00 0.00 O ATOM 642 CG2 THR A 39 106.751 8.612 -11.137 1.00 0.00 C ATOM 0 H THR A 39 104.748 6.614 -8.058 1.00 0.00 H new ATOM 0 HA THR A 39 107.078 6.407 -9.951 1.00 0.00 H new ATOM 0 HB THR A 39 105.623 8.968 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.168 8.433 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.284 9.433 -11.681 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.691 8.953 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.946 7.787 -11.822 1.00 0.00 H new ATOM 650 N ILE A 40 108.557 7.090 -8.030 1.00 0.00 N ATOM 651 CA ILE A 40 109.439 7.584 -6.936 1.00 0.00 C ATOM 652 C ILE A 40 110.367 8.678 -7.461 1.00 0.00 C ATOM 653 O ILE A 40 111.173 8.454 -8.343 1.00 0.00 O ATOM 654 CB ILE A 40 110.274 6.424 -6.389 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.479 5.119 -6.513 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.602 6.681 -4.916 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.805 4.440 -7.846 1.00 0.00 C ATOM 0 H ILE A 40 108.979 6.402 -8.653 1.00 0.00 H new ATOM 0 HA ILE A 40 108.819 7.997 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 40 111.199 6.343 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.723 4.453 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.411 5.326 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.197 5.855 -4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.167 7.609 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.676 6.762 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.238 3.513 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.538 5.105 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.871 4.218 -7.890 1.00 0.00 H new ATOM 669 N THR A 41 110.268 9.858 -6.907 1.00 0.00 N ATOM 670 CA THR A 41 111.148 10.972 -7.344 1.00 0.00 C ATOM 671 C THR A 41 112.015 11.395 -6.158 1.00 0.00 C ATOM 672 O THR A 41 111.628 11.249 -5.017 1.00 0.00 O ATOM 673 CB THR A 41 110.291 12.155 -7.803 1.00 0.00 C ATOM 674 OG1 THR A 41 109.081 11.670 -8.366 1.00 0.00 O ATOM 675 CG2 THR A 41 111.056 12.965 -8.851 1.00 0.00 C ATOM 0 H THR A 41 109.609 10.095 -6.165 1.00 0.00 H new ATOM 0 HA THR A 41 111.778 10.650 -8.173 1.00 0.00 H new ATOM 0 HB THR A 41 110.064 12.793 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.530 12.426 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.445 13.807 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.984 13.337 -8.417 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.284 12.329 -9.707 1.00 0.00 H new ATOM 683 N GLN A 42 113.185 11.911 -6.412 1.00 0.00 N ATOM 684 CA GLN A 42 114.066 12.331 -5.286 1.00 0.00 C ATOM 685 C GLN A 42 114.674 13.701 -5.590 1.00 0.00 C ATOM 686 O GLN A 42 115.064 13.981 -6.706 1.00 0.00 O ATOM 687 CB GLN A 42 115.188 11.304 -5.109 1.00 0.00 C ATOM 688 CG GLN A 42 115.745 11.398 -3.686 1.00 0.00 C ATOM 689 CD GLN A 42 116.848 10.354 -3.501 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.762 9.263 -4.026 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.888 10.645 -2.767 1.00 0.00 N ATOM 0 H GLN A 42 113.568 12.060 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 42 113.478 12.393 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.809 10.299 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.981 11.487 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.141 12.397 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 42 114.948 11.234 -2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.960 11.562 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.628 9.956 -2.635 1.00 0.00 H new ATOM 700 N GLU A 43 114.766 14.556 -4.606 1.00 0.00 N ATOM 701 CA GLU A 43 115.355 15.901 -4.848 1.00 0.00 C ATOM 702 C GLU A 43 116.257 16.282 -3.671 1.00 0.00 C ATOM 703 O GLU A 43 115.881 17.055 -2.811 1.00 0.00 O ATOM 704 CB GLU A 43 114.236 16.934 -4.992 1.00 0.00 C ATOM 705 CG GLU A 43 113.131 16.370 -5.887 1.00 0.00 C ATOM 706 CD GLU A 43 112.362 17.521 -6.537 1.00 0.00 C ATOM 707 OE1 GLU A 43 111.222 17.736 -6.158 1.00 0.00 O ATOM 708 OE2 GLU A 43 112.925 18.169 -7.404 1.00 0.00 O ATOM 0 H GLU A 43 114.459 14.380 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 43 115.944 15.879 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.831 17.186 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.630 17.855 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.563 15.728 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.453 15.752 -5.299 1.00 0.00 H new ATOM 715 N GLY A 44 117.447 15.752 -3.637 1.00 0.00 N ATOM 716 CA GLY A 44 118.391 16.081 -2.531 1.00 0.00 C ATOM 717 C GLY A 44 117.708 15.911 -1.169 1.00 0.00 C ATOM 718 O GLY A 44 117.880 14.911 -0.500 1.00 0.00 O ATOM 0 H GLY A 44 117.810 15.100 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 44 119.266 15.434 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.745 17.106 -2.641 1.00 0.00 H new ATOM 722 N ASN A 45 116.957 16.892 -0.743 1.00 0.00 N ATOM 723 CA ASN A 45 116.285 16.806 0.588 1.00 0.00 C ATOM 724 C ASN A 45 114.766 16.867 0.426 1.00 0.00 C ATOM 725 O ASN A 45 114.059 17.313 1.306 1.00 0.00 O ATOM 726 CB ASN A 45 116.751 17.968 1.468 1.00 0.00 C ATOM 727 CG ASN A 45 116.730 19.265 0.658 1.00 0.00 C ATOM 728 OD1 ASN A 45 116.723 19.237 -0.557 1.00 0.00 O ATOM 729 ND2 ASN A 45 116.720 20.411 1.283 1.00 0.00 N ATOM 0 H ASN A 45 116.779 17.752 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 45 116.550 15.857 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 45 116.102 18.061 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.758 17.775 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 45 116.706 21.282 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 45 116.726 20.436 2.303 1.00 0.00 H new ATOM 736 N LYS A 46 114.256 16.413 -0.682 1.00 0.00 N ATOM 737 CA LYS A 46 112.793 16.435 -0.892 1.00 0.00 C ATOM 738 C LYS A 46 112.445 15.335 -1.884 1.00 0.00 C ATOM 739 O LYS A 46 112.776 15.397 -3.051 1.00 0.00 O ATOM 740 CB LYS A 46 112.366 17.794 -1.458 1.00 0.00 C ATOM 741 CG LYS A 46 112.152 18.800 -0.317 1.00 0.00 C ATOM 742 CD LYS A 46 113.305 19.808 -0.296 1.00 0.00 C ATOM 743 CE LYS A 46 113.050 20.855 0.788 1.00 0.00 C ATOM 744 NZ LYS A 46 113.911 22.045 0.540 1.00 0.00 N ATOM 0 H LYS A 46 114.798 16.026 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 46 112.274 16.275 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 46 113.128 18.166 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.447 17.684 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 46 111.204 19.320 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 46 112.096 18.276 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 46 114.247 19.294 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.397 20.291 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.000 21.146 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 46 113.264 20.436 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 114.045 22.568 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 114.836 21.735 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 113.455 22.664 -0.161 1.00 0.00 H new ATOM 758 N PHE A 47 111.784 14.327 -1.417 1.00 0.00 N ATOM 759 CA PHE A 47 111.405 13.196 -2.309 1.00 0.00 C ATOM 760 C PHE A 47 109.904 13.238 -2.574 1.00 0.00 C ATOM 761 O PHE A 47 109.185 14.026 -1.994 1.00 0.00 O ATOM 762 CB PHE A 47 111.773 11.869 -1.642 1.00 0.00 C ATOM 763 CG PHE A 47 110.952 11.687 -0.388 1.00 0.00 C ATOM 764 CD1 PHE A 47 111.500 12.006 0.859 1.00 0.00 C ATOM 765 CD2 PHE A 47 109.644 11.195 -0.474 1.00 0.00 C ATOM 766 CE1 PHE A 47 110.740 11.835 2.022 1.00 0.00 C ATOM 767 CE2 PHE A 47 108.883 11.024 0.689 1.00 0.00 C ATOM 768 CZ PHE A 47 109.432 11.344 1.937 1.00 0.00 C ATOM 0 H PHE A 47 111.484 14.231 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 47 111.942 13.284 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.593 11.043 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 47 112.835 11.855 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 47 112.509 12.384 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 47 109.222 10.947 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 47 111.163 12.082 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 47 107.874 10.646 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 47 108.846 11.212 2.834 1.00 0.00 H new ATOM 778 N THR A 48 109.422 12.395 -3.442 1.00 0.00 N ATOM 779 CA THR A 48 107.973 12.390 -3.736 1.00 0.00 C ATOM 780 C THR A 48 107.578 11.014 -4.266 1.00 0.00 C ATOM 781 O THR A 48 107.829 10.677 -5.407 1.00 0.00 O ATOM 782 CB THR A 48 107.667 13.445 -4.798 1.00 0.00 C ATOM 783 OG1 THR A 48 108.021 14.730 -4.304 1.00 0.00 O ATOM 784 CG2 THR A 48 106.176 13.418 -5.137 1.00 0.00 C ATOM 0 H THR A 48 109.974 11.710 -3.959 1.00 0.00 H new ATOM 0 HA THR A 48 107.412 12.613 -2.828 1.00 0.00 H new ATOM 0 HB THR A 48 108.243 13.230 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.229 14.667 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.961 14.172 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.907 12.433 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.595 13.630 -4.240 1.00 0.00 H new ATOM 792 N VAL A 49 106.960 10.222 -3.447 1.00 0.00 N ATOM 793 CA VAL A 49 106.538 8.866 -3.892 1.00 0.00 C ATOM 794 C VAL A 49 105.070 8.903 -4.321 1.00 0.00 C ATOM 795 O VAL A 49 104.178 9.036 -3.506 1.00 0.00 O ATOM 796 CB VAL A 49 106.709 7.873 -2.741 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.577 6.445 -3.274 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.093 8.055 -2.112 1.00 0.00 C ATOM 0 H VAL A 49 106.726 10.453 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 49 107.155 8.553 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 49 105.940 8.053 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.699 5.738 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.592 6.314 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.345 6.265 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.216 7.348 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.861 7.875 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.189 9.072 -1.732 1.00 0.00 H new ATOM 808 N LYS A 50 104.809 8.788 -5.596 1.00 0.00 N ATOM 809 CA LYS A 50 103.397 8.819 -6.073 1.00 0.00 C ATOM 810 C LYS A 50 102.908 7.392 -6.324 1.00 0.00 C ATOM 811 O LYS A 50 103.183 6.805 -7.349 1.00 0.00 O ATOM 812 CB LYS A 50 103.320 9.618 -7.377 1.00 0.00 C ATOM 813 CG LYS A 50 101.871 10.041 -7.631 1.00 0.00 C ATOM 814 CD LYS A 50 101.676 10.325 -9.123 1.00 0.00 C ATOM 815 CE LYS A 50 100.196 10.588 -9.405 1.00 0.00 C ATOM 816 NZ LYS A 50 99.945 10.488 -10.870 1.00 0.00 N ATOM 0 H LYS A 50 105.512 8.674 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 50 102.769 9.289 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.961 10.497 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.685 9.014 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.189 9.254 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.633 10.930 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 50 102.272 11.188 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.024 9.478 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.579 9.867 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.916 11.578 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.939 10.667 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 100.524 11.192 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.197 9.535 -11.201 1.00 0.00 H new ATOM 830 N GLU A 51 102.176 6.829 -5.402 1.00 0.00 N ATOM 831 CA GLU A 51 101.673 5.443 -5.608 1.00 0.00 C ATOM 832 C GLU A 51 100.558 5.465 -6.653 1.00 0.00 C ATOM 833 O GLU A 51 99.916 6.475 -6.865 1.00 0.00 O ATOM 834 CB GLU A 51 101.128 4.892 -4.288 1.00 0.00 C ATOM 835 CG GLU A 51 102.276 4.297 -3.469 1.00 0.00 C ATOM 836 CD GLU A 51 101.714 3.624 -2.217 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.136 3.990 -1.132 1.00 0.00 O ATOM 838 OE2 GLU A 51 100.870 2.755 -2.362 1.00 0.00 O ATOM 0 H GLU A 51 101.906 7.266 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 51 102.487 4.806 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.639 5.687 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.374 4.130 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 102.827 3.572 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.981 5.080 -3.189 1.00 0.00 H new ATOM 845 N SER A 52 100.312 4.359 -7.301 1.00 0.00 N ATOM 846 CA SER A 52 99.239 4.321 -8.320 1.00 0.00 C ATOM 847 C SER A 52 98.858 2.873 -8.585 1.00 0.00 C ATOM 848 O SER A 52 99.577 2.122 -9.214 1.00 0.00 O ATOM 849 CB SER A 52 99.736 4.965 -9.613 1.00 0.00 C ATOM 850 OG SER A 52 100.454 6.152 -9.300 1.00 0.00 O ATOM 0 H SER A 52 100.812 3.481 -7.164 1.00 0.00 H new ATOM 0 HA SER A 52 98.370 4.870 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.377 4.271 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.894 5.197 -10.265 1.00 0.00 H new ATOM 0 HG SER A 52 100.061 6.573 -8.507 1.00 0.00 H new ATOM 856 N SER A 53 97.718 2.492 -8.111 1.00 0.00 N ATOM 857 CA SER A 53 97.231 1.107 -8.316 1.00 0.00 C ATOM 858 C SER A 53 95.733 1.160 -8.607 1.00 0.00 C ATOM 859 O SER A 53 95.018 1.981 -8.067 1.00 0.00 O ATOM 860 CB SER A 53 97.480 0.282 -7.053 1.00 0.00 C ATOM 861 OG SER A 53 96.390 0.455 -6.157 1.00 0.00 O ATOM 0 H SER A 53 97.088 3.092 -7.579 1.00 0.00 H new ATOM 0 HA SER A 53 97.759 0.644 -9.150 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.592 -0.772 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.410 0.595 -6.578 1.00 0.00 H new ATOM 0 HG SER A 53 96.669 0.206 -5.251 1.00 0.00 H new ATOM 867 N ALA A 54 95.247 0.301 -9.454 1.00 0.00 N ATOM 868 CA ALA A 54 93.792 0.316 -9.771 1.00 0.00 C ATOM 869 C ALA A 54 92.985 0.168 -8.478 1.00 0.00 C ATOM 870 O ALA A 54 91.782 0.000 -8.504 1.00 0.00 O ATOM 871 CB ALA A 54 93.463 -0.844 -10.713 1.00 0.00 C ATOM 0 H ALA A 54 95.792 -0.411 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 54 93.536 1.260 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.398 -0.833 -10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.036 -0.739 -11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.720 -1.788 -10.232 1.00 0.00 H new ATOM 877 N PHE A 55 93.639 0.210 -7.345 1.00 0.00 N ATOM 878 CA PHE A 55 92.908 0.053 -6.058 1.00 0.00 C ATOM 879 C PHE A 55 92.830 1.385 -5.303 1.00 0.00 C ATOM 880 O PHE A 55 91.954 1.577 -4.485 1.00 0.00 O ATOM 881 CB PHE A 55 93.635 -0.976 -5.190 1.00 0.00 C ATOM 882 CG PHE A 55 93.278 -2.369 -5.653 1.00 0.00 C ATOM 883 CD1 PHE A 55 94.236 -3.158 -6.299 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.988 -2.869 -5.437 1.00 0.00 C ATOM 885 CE1 PHE A 55 93.906 -4.448 -6.729 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.658 -4.160 -5.867 1.00 0.00 C ATOM 887 CZ PHE A 55 92.617 -4.950 -6.513 1.00 0.00 C ATOM 0 H PHE A 55 94.646 0.346 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 55 91.893 -0.281 -6.274 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.713 -0.825 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.357 -0.847 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.230 -2.771 -6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.248 -2.259 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 55 94.646 -5.057 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.663 -4.547 -5.700 1.00 0.00 H new ATOM 0 HZ PHE A 55 92.362 -5.946 -6.844 1.00 0.00 H new ATOM 897 N ARG A 56 93.728 2.308 -5.556 1.00 0.00 N ATOM 898 CA ARG A 56 93.680 3.610 -4.831 1.00 0.00 C ATOM 899 C ARG A 56 95.047 4.284 -4.927 1.00 0.00 C ATOM 900 O ARG A 56 95.900 4.111 -4.078 1.00 0.00 O ATOM 901 CB ARG A 56 93.330 3.378 -3.353 1.00 0.00 C ATOM 902 CG ARG A 56 91.863 3.748 -3.099 1.00 0.00 C ATOM 903 CD ARG A 56 91.293 2.865 -1.986 1.00 0.00 C ATOM 904 NE ARG A 56 91.983 3.179 -0.701 1.00 0.00 N ATOM 905 CZ ARG A 56 92.968 2.430 -0.281 1.00 0.00 C ATOM 906 NH1 ARG A 56 93.563 2.710 0.846 1.00 0.00 N ATOM 907 NH2 ARG A 56 93.362 1.404 -0.986 1.00 0.00 N ATOM 0 H ARG A 56 94.487 2.213 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 56 92.917 4.245 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.502 2.334 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 56 93.981 3.979 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.786 4.798 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.282 3.619 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 56 90.221 3.034 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 56 91.428 1.813 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 56 91.684 3.982 -0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 56 93.259 3.512 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 56 94.332 2.126 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.900 1.184 -1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 56 94.131 0.822 -0.654 1.00 0.00 H new ATOM 921 N ASN A 57 95.261 5.045 -5.957 1.00 0.00 N ATOM 922 CA ASN A 57 96.574 5.731 -6.120 1.00 0.00 C ATOM 923 C ASN A 57 96.794 6.706 -4.962 1.00 0.00 C ATOM 924 O ASN A 57 95.868 7.309 -4.458 1.00 0.00 O ATOM 925 CB ASN A 57 96.582 6.504 -7.441 1.00 0.00 C ATOM 926 CG ASN A 57 95.532 7.614 -7.390 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.355 7.360 -6.886 1.00 0.00 O flip ATOM 928 ND2 ASN A 57 95.783 8.724 -7.813 1.00 0.00 N flip ATOM 0 H ASN A 57 94.583 5.225 -6.698 1.00 0.00 H new ATOM 0 HA ASN A 57 97.371 4.988 -6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.569 6.931 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.373 5.829 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.702 8.924 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 57 95.075 9.457 -7.774 1.00 0.00 H new ATOM 935 N ILE A 58 98.019 6.855 -4.531 1.00 0.00 N ATOM 936 CA ILE A 58 98.310 7.777 -3.401 1.00 0.00 C ATOM 937 C ILE A 58 99.592 8.550 -3.682 1.00 0.00 C ATOM 938 O ILE A 58 100.284 8.310 -4.652 1.00 0.00 O ATOM 939 CB ILE A 58 98.497 6.988 -2.116 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.585 5.767 -2.118 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.158 7.874 -0.911 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.515 5.213 -0.701 1.00 0.00 C ATOM 0 H ILE A 58 98.832 6.374 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 58 97.472 8.465 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 58 99.535 6.662 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.589 6.039 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.968 5.010 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.293 7.305 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.817 8.742 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.122 8.206 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.866 4.338 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.515 4.930 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.115 5.975 -0.032 1.00 0.00 H new ATOM 954 N GLU A 59 99.912 9.474 -2.828 1.00 0.00 N ATOM 955 CA GLU A 59 101.152 10.275 -3.019 1.00 0.00 C ATOM 956 C GLU A 59 101.645 10.793 -1.668 1.00 0.00 C ATOM 957 O GLU A 59 100.868 11.150 -0.805 1.00 0.00 O ATOM 958 CB GLU A 59 100.860 11.456 -3.949 1.00 0.00 C ATOM 959 CG GLU A 59 100.223 12.596 -3.153 1.00 0.00 C ATOM 960 CD GLU A 59 99.413 13.489 -4.095 1.00 0.00 C ATOM 961 OE1 GLU A 59 99.632 14.690 -4.075 1.00 0.00 O ATOM 962 OE2 GLU A 59 98.589 12.958 -4.821 1.00 0.00 O ATOM 0 H GLU A 59 99.367 9.713 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 59 101.923 9.646 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.783 11.798 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 100.192 11.143 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.577 12.192 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.996 13.182 -2.655 1.00 0.00 H new ATOM 969 N CYS A 60 102.935 10.838 -1.479 1.00 0.00 N ATOM 970 CA CYS A 60 103.480 11.334 -0.186 1.00 0.00 C ATOM 971 C CYS A 60 104.844 11.990 -0.425 1.00 0.00 C ATOM 972 O CYS A 60 105.823 11.326 -0.703 1.00 0.00 O ATOM 973 CB CYS A 60 103.646 10.150 0.775 1.00 0.00 C ATOM 974 SG CYS A 60 102.552 10.357 2.201 1.00 0.00 S ATOM 0 H CYS A 60 103.634 10.553 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 60 102.797 12.066 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.415 9.217 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.682 10.082 1.107 1.00 0.00 H new ATOM 980 N VAL A 61 104.915 13.290 -0.319 1.00 0.00 N ATOM 981 CA VAL A 61 106.199 13.990 -0.534 1.00 0.00 C ATOM 982 C VAL A 61 106.745 14.482 0.794 1.00 0.00 C ATOM 983 O VAL A 61 106.008 14.769 1.713 1.00 0.00 O ATOM 984 CB VAL A 61 105.965 15.175 -1.454 1.00 0.00 C ATOM 985 CG1 VAL A 61 104.616 15.817 -1.128 1.00 0.00 C ATOM 986 CG2 VAL A 61 107.079 16.211 -1.280 1.00 0.00 C ATOM 0 H VAL A 61 104.127 13.896 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 61 106.918 13.305 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 61 105.966 14.825 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 61 104.449 16.668 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 61 103.821 15.085 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 61 104.615 16.157 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 61 106.898 17.055 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 61 107.093 16.560 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 61 108.040 15.757 -1.523 1.00 0.00 H new ATOM 996 N PHE A 62 108.034 14.590 0.895 1.00 0.00 N ATOM 997 CA PHE A 62 108.623 15.077 2.178 1.00 0.00 C ATOM 998 C PHE A 62 110.152 15.045 2.121 1.00 0.00 C ATOM 999 O PHE A 62 110.746 14.671 1.130 1.00 0.00 O ATOM 1000 CB PHE A 62 108.137 14.190 3.332 1.00 0.00 C ATOM 1001 CG PHE A 62 106.985 14.862 4.046 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.162 16.127 4.622 1.00 0.00 C ATOM 1003 CD2 PHE A 62 105.742 14.223 4.131 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.097 16.749 5.284 1.00 0.00 C ATOM 1005 CE2 PHE A 62 104.677 14.846 4.791 1.00 0.00 C ATOM 1006 CZ PHE A 62 104.854 16.110 5.368 1.00 0.00 C ATOM 0 H PHE A 62 108.703 14.367 0.158 1.00 0.00 H new ATOM 0 HA PHE A 62 108.303 16.106 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.823 13.219 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.953 14.008 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 62 108.120 16.622 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 62 105.605 13.248 3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.234 17.723 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 62 103.719 14.352 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 62 104.032 16.591 5.877 1.00 0.00 H new ATOM 1016 N GLU A 63 110.789 15.435 3.195 1.00 0.00 N ATOM 1017 CA GLU A 63 112.278 15.436 3.240 1.00 0.00 C ATOM 1018 C GLU A 63 112.755 14.291 4.139 1.00 0.00 C ATOM 1019 O GLU A 63 111.980 13.692 4.855 1.00 0.00 O ATOM 1020 CB GLU A 63 112.763 16.773 3.811 1.00 0.00 C ATOM 1021 CG GLU A 63 114.237 16.665 4.205 1.00 0.00 C ATOM 1022 CD GLU A 63 114.792 18.060 4.490 1.00 0.00 C ATOM 1023 OE1 GLU A 63 114.276 19.009 3.923 1.00 0.00 O ATOM 1024 OE2 GLU A 63 115.725 18.157 5.271 1.00 0.00 O ATOM 0 H GLU A 63 110.335 15.756 4.050 1.00 0.00 H new ATOM 0 HA GLU A 63 112.680 15.302 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.632 17.563 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.164 17.046 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.343 16.033 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.805 16.193 3.403 1.00 0.00 H new ATOM 1031 N LEU A 64 114.021 13.981 4.107 1.00 0.00 N ATOM 1032 CA LEU A 64 114.537 12.872 4.960 1.00 0.00 C ATOM 1033 C LEU A 64 114.743 13.369 6.394 1.00 0.00 C ATOM 1034 O LEU A 64 115.368 14.385 6.624 1.00 0.00 O ATOM 1035 CB LEU A 64 115.874 12.381 4.400 1.00 0.00 C ATOM 1036 CG LEU A 64 115.667 11.815 2.993 1.00 0.00 C ATOM 1037 CD1 LEU A 64 116.958 11.968 2.186 1.00 0.00 C ATOM 1038 CD2 LEU A 64 115.301 10.332 3.088 1.00 0.00 C ATOM 0 H LEU A 64 114.720 14.446 3.528 1.00 0.00 H new ATOM 0 HA LEU A 64 113.814 12.056 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.590 13.202 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.293 11.615 5.052 1.00 0.00 H new ATOM 0 HG LEU A 64 114.862 12.358 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 64 116.811 11.565 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.221 13.023 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.763 11.425 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.154 9.929 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 64 116.107 9.789 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.382 10.220 3.663 1.00 0.00 H new ATOM 1050 N GLY A 65 114.233 12.652 7.361 1.00 0.00 N ATOM 1051 CA GLY A 65 114.412 13.076 8.782 1.00 0.00 C ATOM 1052 C GLY A 65 113.107 13.659 9.331 1.00 0.00 C ATOM 1053 O GLY A 65 112.830 13.573 10.511 1.00 0.00 O ATOM 0 H GLY A 65 113.701 11.792 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.720 12.223 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.207 13.819 8.850 1.00 0.00 H new ATOM 1057 N VAL A 66 112.306 14.258 8.493 1.00 0.00 N ATOM 1058 CA VAL A 66 111.030 14.850 8.981 1.00 0.00 C ATOM 1059 C VAL A 66 109.943 13.774 9.044 1.00 0.00 C ATOM 1060 O VAL A 66 109.480 13.288 8.032 1.00 0.00 O ATOM 1061 CB VAL A 66 110.588 15.961 8.026 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.301 16.603 8.549 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.686 17.023 7.937 1.00 0.00 C ATOM 0 H VAL A 66 112.480 14.363 7.493 1.00 0.00 H new ATOM 0 HA VAL A 66 111.185 15.260 9.979 1.00 0.00 H new ATOM 0 HB VAL A 66 110.408 15.539 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 108.987 17.394 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.518 15.848 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.481 17.025 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.372 17.815 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 66 111.866 17.444 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.603 16.567 7.564 1.00 0.00 H new ATOM 1073 N THR A 67 109.527 13.401 10.226 1.00 0.00 N ATOM 1074 CA THR A 67 108.464 12.365 10.349 1.00 0.00 C ATOM 1075 C THR A 67 107.222 12.820 9.601 1.00 0.00 C ATOM 1076 O THR A 67 106.869 13.983 9.590 1.00 0.00 O ATOM 1077 CB THR A 67 108.107 12.165 11.822 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.257 12.393 12.624 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.597 10.737 12.045 1.00 0.00 C ATOM 0 H THR A 67 109.878 13.770 11.110 1.00 0.00 H new ATOM 0 HA THR A 67 108.829 11.428 9.928 1.00 0.00 H new ATOM 0 HB THR A 67 107.324 12.870 12.101 1.00 0.00 H new ATOM 0 HG1 THR A 67 109.028 12.266 13.568 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.344 10.601 13.097 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.710 10.568 11.434 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.373 10.025 11.763 1.00 0.00 H new ATOM 1087 N PHE A 68 106.552 11.898 8.996 1.00 0.00 N ATOM 1088 CA PHE A 68 105.311 12.231 8.258 1.00 0.00 C ATOM 1089 C PHE A 68 104.402 11.013 8.298 1.00 0.00 C ATOM 1090 O PHE A 68 104.675 10.059 8.995 1.00 0.00 O ATOM 1091 CB PHE A 68 105.625 12.603 6.806 1.00 0.00 C ATOM 1092 CG PHE A 68 106.896 11.925 6.357 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.943 10.532 6.223 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.026 12.695 6.064 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.125 9.912 5.794 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.204 12.075 5.639 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.253 10.684 5.503 1.00 0.00 C ATOM 0 H PHE A 68 106.812 10.912 8.978 1.00 0.00 H new ATOM 0 HA PHE A 68 104.824 13.089 8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.798 12.306 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.729 13.684 6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.071 9.937 6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.988 13.769 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.164 8.838 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.077 12.670 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.163 10.206 5.173 1.00 0.00 H new ATOM 1107 N ASN A 69 103.326 11.028 7.569 1.00 0.00 N ATOM 1108 CA ASN A 69 102.419 9.855 7.593 1.00 0.00 C ATOM 1109 C ASN A 69 101.936 9.536 6.182 1.00 0.00 C ATOM 1110 O ASN A 69 101.795 10.404 5.344 1.00 0.00 O ATOM 1111 CB ASN A 69 101.217 10.157 8.491 1.00 0.00 C ATOM 1112 CG ASN A 69 100.289 11.147 7.785 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.790 12.227 7.251 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 99.093 10.935 7.719 1.00 0.00 N flip ATOM 0 H ASN A 69 103.037 11.795 6.962 1.00 0.00 H new ATOM 0 HA ASN A 69 102.961 8.994 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.679 9.237 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.554 10.572 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.701 10.091 8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.482 11.601 7.246 1.00 0.00 H new ATOM 1121 N CYS A 70 101.674 8.287 5.922 1.00 0.00 N ATOM 1122 CA CYS A 70 101.189 7.881 4.579 1.00 0.00 C ATOM 1123 C CYS A 70 100.427 6.568 4.729 1.00 0.00 C ATOM 1124 O CYS A 70 100.836 5.687 5.461 1.00 0.00 O ATOM 1125 CB CYS A 70 102.378 7.692 3.635 1.00 0.00 C ATOM 1126 SG CYS A 70 103.386 9.197 3.630 1.00 0.00 S ATOM 0 H CYS A 70 101.777 7.524 6.591 1.00 0.00 H new ATOM 0 HA CYS A 70 100.537 8.648 4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 70 102.978 6.840 3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.025 7.474 2.627 1.00 0.00 H new ATOM 1132 N ASN A 71 99.315 6.430 4.070 1.00 0.00 N ATOM 1133 CA ASN A 71 98.536 5.173 4.215 1.00 0.00 C ATOM 1134 C ASN A 71 98.915 4.183 3.115 1.00 0.00 C ATOM 1135 O ASN A 71 99.182 4.555 1.990 1.00 0.00 O ATOM 1136 CB ASN A 71 97.039 5.486 4.134 1.00 0.00 C ATOM 1137 CG ASN A 71 96.822 6.721 3.257 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.185 6.687 2.005 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 96.319 7.727 3.717 1.00 0.00 N flip ATOM 0 H ASN A 71 98.914 7.126 3.442 1.00 0.00 H new ATOM 0 HA ASN A 71 98.764 4.726 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.500 4.634 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.639 5.661 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.035 7.753 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.181 8.545 3.124 1.00 0.00 H new ATOM 1146 N LEU A 72 98.938 2.920 3.440 1.00 0.00 N ATOM 1147 CA LEU A 72 99.297 1.892 2.423 1.00 0.00 C ATOM 1148 C LEU A 72 98.021 1.349 1.776 1.00 0.00 C ATOM 1149 O LEU A 72 96.986 1.250 2.408 1.00 0.00 O ATOM 1150 CB LEU A 72 100.052 0.746 3.100 1.00 0.00 C ATOM 1151 CG LEU A 72 101.301 1.295 3.791 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.892 0.222 4.706 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.338 1.692 2.735 1.00 0.00 C ATOM 0 H LEU A 72 98.723 2.555 4.368 1.00 0.00 H new ATOM 0 HA LEU A 72 99.930 2.343 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.408 0.252 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.333 -0.005 2.362 1.00 0.00 H new ATOM 0 HG LEU A 72 101.032 2.170 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.782 0.614 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.156 -0.060 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.160 -0.653 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.228 2.083 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.606 0.818 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.918 2.458 2.083 1.00 0.00 H new ATOM 1165 N ALA A 73 98.092 0.997 0.520 1.00 0.00 N ATOM 1166 CA ALA A 73 96.891 0.459 -0.183 1.00 0.00 C ATOM 1167 C ALA A 73 96.129 -0.486 0.746 1.00 0.00 C ATOM 1168 O ALA A 73 94.929 -0.639 0.642 1.00 0.00 O ATOM 1169 CB ALA A 73 97.334 -0.303 -1.433 1.00 0.00 C ATOM 0 H ALA A 73 98.934 1.059 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 73 96.240 1.285 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.458 -0.697 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.874 0.371 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.987 -1.127 -1.145 1.00 0.00 H new ATOM 1175 N ASP A 74 96.814 -1.120 1.658 1.00 0.00 N ATOM 1176 CA ASP A 74 96.124 -2.050 2.592 1.00 0.00 C ATOM 1177 C ASP A 74 95.194 -1.249 3.504 1.00 0.00 C ATOM 1178 O ASP A 74 94.767 -1.718 4.541 1.00 0.00 O ATOM 1179 CB ASP A 74 97.161 -2.787 3.440 1.00 0.00 C ATOM 1180 CG ASP A 74 97.838 -3.867 2.595 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.326 -3.537 1.527 1.00 0.00 O ATOM 1182 OD2 ASP A 74 97.857 -5.007 3.029 1.00 0.00 O ATOM 0 H ASP A 74 97.821 -1.033 1.796 1.00 0.00 H new ATOM 0 HA ASP A 74 95.543 -2.776 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.905 -2.084 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.682 -3.238 4.309 1.00 0.00 H new ATOM 1187 N GLY A 75 94.879 -0.039 3.128 1.00 0.00 N ATOM 1188 CA GLY A 75 93.981 0.794 3.974 1.00 0.00 C ATOM 1189 C GLY A 75 94.639 1.022 5.334 1.00 0.00 C ATOM 1190 O GLY A 75 93.975 1.234 6.329 1.00 0.00 O ATOM 0 H GLY A 75 95.205 0.408 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.786 1.749 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.019 0.298 4.101 1.00 0.00 H new ATOM 1194 N THR A 76 95.943 0.976 5.386 1.00 0.00 N ATOM 1195 CA THR A 76 96.646 1.184 6.674 1.00 0.00 C ATOM 1196 C THR A 76 97.168 2.617 6.746 1.00 0.00 C ATOM 1197 O THR A 76 97.289 3.297 5.748 1.00 0.00 O ATOM 1198 CB THR A 76 97.824 0.220 6.783 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.654 -0.843 5.855 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.906 -0.344 8.204 1.00 0.00 C ATOM 0 H THR A 76 96.550 0.802 4.585 1.00 0.00 H new ATOM 0 HA THR A 76 95.949 1.002 7.492 1.00 0.00 H new ATOM 0 HB THR A 76 98.747 0.754 6.558 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.411 -1.461 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.749 -1.031 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.044 0.473 8.912 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.984 -0.876 8.438 1.00 0.00 H new ATOM 1208 N GLU A 77 97.481 3.071 7.922 1.00 0.00 N ATOM 1209 CA GLU A 77 98.008 4.451 8.088 1.00 0.00 C ATOM 1210 C GLU A 77 99.241 4.406 8.991 1.00 0.00 C ATOM 1211 O GLU A 77 99.167 3.971 10.124 1.00 0.00 O ATOM 1212 CB GLU A 77 96.935 5.334 8.728 1.00 0.00 C ATOM 1213 CG GLU A 77 97.413 6.786 8.733 1.00 0.00 C ATOM 1214 CD GLU A 77 96.372 7.664 9.431 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.794 7.206 10.402 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.172 8.781 8.982 1.00 0.00 O ATOM 0 H GLU A 77 97.393 2.539 8.788 1.00 0.00 H new ATOM 0 HA GLU A 77 98.278 4.863 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.000 5.249 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.734 5.002 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.372 6.863 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.570 7.132 7.711 1.00 0.00 H new ATOM 1223 N LEU A 78 100.381 4.833 8.508 1.00 0.00 N ATOM 1224 CA LEU A 78 101.605 4.784 9.369 1.00 0.00 C ATOM 1225 C LEU A 78 102.379 6.102 9.284 1.00 0.00 C ATOM 1226 O LEU A 78 102.201 6.885 8.373 1.00 0.00 O ATOM 1227 CB LEU A 78 102.515 3.643 8.909 1.00 0.00 C ATOM 1228 CG LEU A 78 101.672 2.485 8.371 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.414 2.691 6.877 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.423 1.168 8.581 1.00 0.00 C ATOM 0 H LEU A 78 100.518 5.208 7.569 1.00 0.00 H new ATOM 0 HA LEU A 78 101.292 4.620 10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.195 3.999 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.130 3.300 9.741 1.00 0.00 H new ATOM 0 HG LEU A 78 100.721 2.451 8.902 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.813 1.866 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.880 3.629 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.365 2.725 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.823 0.342 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.374 1.203 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.607 1.020 9.645 1.00 0.00 H new ATOM 1242 N ARG A 79 103.246 6.343 10.235 1.00 0.00 N ATOM 1243 CA ARG A 79 104.048 7.604 10.222 1.00 0.00 C ATOM 1244 C ARG A 79 105.464 7.329 10.732 1.00 0.00 C ATOM 1245 O ARG A 79 105.664 6.555 11.647 1.00 0.00 O ATOM 1246 CB ARG A 79 103.375 8.646 11.119 1.00 0.00 C ATOM 1247 CG ARG A 79 103.333 8.129 12.559 1.00 0.00 C ATOM 1248 CD ARG A 79 102.621 9.150 13.447 1.00 0.00 C ATOM 1249 NE ARG A 79 103.046 8.961 14.862 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.877 9.923 15.728 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.250 9.757 16.968 1.00 0.00 N ATOM 1252 NH2 ARG A 79 102.335 11.049 15.356 1.00 0.00 N ATOM 0 H ARG A 79 103.433 5.720 11.021 1.00 0.00 H new ATOM 0 HA ARG A 79 104.104 7.981 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.923 9.587 11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.364 8.848 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.813 7.172 12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.345 7.957 12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.857 10.162 13.117 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.541 9.031 13.362 1.00 0.00 H new ATOM 0 HE ARG A 79 103.469 8.080 15.154 1.00 0.00 H new ATOM 0 HH11 ARG A 79 103.673 8.876 17.260 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.118 10.508 17.645 1.00 0.00 H new ATOM 0 HH21 ARG A 79 102.043 11.179 14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 79 102.203 11.800 16.034 1.00 0.00 H new ATOM 1266 N GLY A 80 106.453 7.958 10.146 1.00 0.00 N ATOM 1267 CA GLY A 80 107.843 7.736 10.591 1.00 0.00 C ATOM 1268 C GLY A 80 108.764 8.458 9.617 1.00 0.00 C ATOM 1269 O GLY A 80 108.714 9.661 9.490 1.00 0.00 O ATOM 0 H GLY A 80 106.346 8.617 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.985 8.115 11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.071 6.670 10.614 1.00 0.00 H new ATOM 1273 N THR A 81 109.583 7.740 8.908 1.00 0.00 N ATOM 1274 CA THR A 81 110.490 8.415 7.931 1.00 0.00 C ATOM 1275 C THR A 81 111.515 7.427 7.378 1.00 0.00 C ATOM 1276 O THR A 81 111.837 6.431 7.995 1.00 0.00 O ATOM 1277 CB THR A 81 111.242 9.560 8.627 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.930 9.565 10.013 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.844 10.900 8.007 1.00 0.00 C ATOM 0 H THR A 81 109.668 6.725 8.957 1.00 0.00 H new ATOM 0 HA THR A 81 109.882 8.803 7.113 1.00 0.00 H new ATOM 0 HB THR A 81 112.314 9.411 8.497 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.116 10.089 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.382 11.706 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.095 10.899 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.771 11.052 8.126 1.00 0.00 H new ATOM 1287 N TRP A 82 112.049 7.720 6.224 1.00 0.00 N ATOM 1288 CA TRP A 82 113.081 6.824 5.629 1.00 0.00 C ATOM 1289 C TRP A 82 114.459 7.447 5.845 1.00 0.00 C ATOM 1290 O TRP A 82 114.618 8.650 5.801 1.00 0.00 O ATOM 1291 CB TRP A 82 112.841 6.658 4.125 1.00 0.00 C ATOM 1292 CG TRP A 82 111.380 6.511 3.859 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.487 7.521 3.883 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.633 5.309 3.524 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.234 7.020 3.591 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.272 5.656 3.360 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.002 3.963 3.350 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.308 4.700 3.033 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.036 2.998 3.021 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.692 3.366 2.864 1.00 0.00 C ATOM 0 H TRP A 82 111.815 8.542 5.667 1.00 0.00 H new ATOM 0 HA TRP A 82 113.023 5.846 6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.233 7.522 3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.377 5.783 3.756 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.715 8.555 4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.386 7.585 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.034 3.670 3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.274 4.989 2.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.330 1.967 2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 82 107.953 2.619 2.613 1.00 0.00 H new ATOM 1311 N SER A 83 115.460 6.643 6.082 1.00 0.00 N ATOM 1312 CA SER A 83 116.820 7.209 6.301 1.00 0.00 C ATOM 1313 C SER A 83 117.855 6.264 5.701 1.00 0.00 C ATOM 1314 O SER A 83 117.605 5.096 5.526 1.00 0.00 O ATOM 1315 CB SER A 83 117.075 7.360 7.801 1.00 0.00 C ATOM 1316 OG SER A 83 118.447 7.105 8.072 1.00 0.00 O ATOM 0 H SER A 83 115.395 5.626 6.133 1.00 0.00 H new ATOM 0 HA SER A 83 116.893 8.186 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.809 8.365 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.447 6.666 8.360 1.00 0.00 H new ATOM 0 HG SER A 83 118.614 7.202 9.033 1.00 0.00 H new ATOM 1322 N LEU A 84 119.008 6.745 5.356 1.00 0.00 N ATOM 1323 CA LEU A 84 120.008 5.832 4.767 1.00 0.00 C ATOM 1324 C LEU A 84 120.818 5.162 5.868 1.00 0.00 C ATOM 1325 O LEU A 84 121.504 5.801 6.641 1.00 0.00 O ATOM 1326 CB LEU A 84 120.936 6.609 3.832 1.00 0.00 C ATOM 1327 CG LEU A 84 120.557 6.284 2.388 1.00 0.00 C ATOM 1328 CD1 LEU A 84 120.315 7.578 1.608 1.00 0.00 C ATOM 1329 CD2 LEU A 84 121.685 5.490 1.723 1.00 0.00 C ATOM 0 H LEU A 84 119.298 7.718 5.455 1.00 0.00 H new ATOM 0 HA LEU A 84 119.490 5.063 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.847 7.680 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.975 6.339 4.020 1.00 0.00 H new ATOM 0 HG LEU A 84 119.644 5.688 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 84 120.045 7.338 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 84 119.504 8.138 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 84 121.223 8.181 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 84 121.410 5.260 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.600 6.082 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 84 121.848 4.562 2.271 1.00 0.00 H new ATOM 1341 N GLU A 85 120.745 3.867 5.921 1.00 0.00 N ATOM 1342 CA GLU A 85 121.510 3.109 6.946 1.00 0.00 C ATOM 1343 C GLU A 85 122.637 2.360 6.241 1.00 0.00 C ATOM 1344 O GLU A 85 122.413 1.371 5.572 1.00 0.00 O ATOM 1345 CB GLU A 85 120.584 2.110 7.648 1.00 0.00 C ATOM 1346 CG GLU A 85 120.111 2.698 8.979 1.00 0.00 C ATOM 1347 CD GLU A 85 121.265 2.687 9.982 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.337 1.751 10.761 1.00 0.00 O ATOM 1349 OE2 GLU A 85 122.058 3.614 9.956 1.00 0.00 O ATOM 0 H GLU A 85 120.183 3.293 5.292 1.00 0.00 H new ATOM 0 HA GLU A 85 121.919 3.790 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 85 119.727 1.885 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.109 1.170 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 85 119.753 3.717 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.273 2.119 9.367 1.00 0.00 H new ATOM 1356 N GLY A 86 123.844 2.830 6.361 1.00 0.00 N ATOM 1357 CA GLY A 86 124.964 2.142 5.669 1.00 0.00 C ATOM 1358 C GLY A 86 124.741 2.255 4.162 1.00 0.00 C ATOM 1359 O GLY A 86 124.998 3.281 3.564 1.00 0.00 O ATOM 0 H GLY A 86 124.102 3.654 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 86 125.916 2.594 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.009 1.095 5.968 1.00 0.00 H new ATOM 1363 N ASN A 87 124.257 1.213 3.541 1.00 0.00 N ATOM 1364 CA ASN A 87 124.010 1.269 2.073 1.00 0.00 C ATOM 1365 C ASN A 87 122.553 0.906 1.768 1.00 0.00 C ATOM 1366 O ASN A 87 122.259 0.309 0.752 1.00 0.00 O ATOM 1367 CB ASN A 87 124.939 0.282 1.363 1.00 0.00 C ATOM 1368 CG ASN A 87 125.084 0.683 -0.107 1.00 0.00 C ATOM 1369 OD1 ASN A 87 124.205 1.307 -0.668 1.00 0.00 O ATOM 1370 ND2 ASN A 87 126.164 0.349 -0.759 1.00 0.00 N ATOM 0 H ASN A 87 124.022 0.326 3.987 1.00 0.00 H new ATOM 0 HA ASN A 87 124.206 2.281 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.916 0.274 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.538 -0.729 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 87 126.270 0.612 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.902 -0.175 -0.289 1.00 0.00 H new ATOM 1377 N LYS A 88 121.635 1.248 2.633 1.00 0.00 N ATOM 1378 CA LYS A 88 120.213 0.904 2.370 1.00 0.00 C ATOM 1379 C LYS A 88 119.308 2.057 2.805 1.00 0.00 C ATOM 1380 O LYS A 88 119.668 2.861 3.641 1.00 0.00 O ATOM 1381 CB LYS A 88 119.854 -0.349 3.163 1.00 0.00 C ATOM 1382 CG LYS A 88 120.601 -0.329 4.497 1.00 0.00 C ATOM 1383 CD LYS A 88 120.175 -1.527 5.339 1.00 0.00 C ATOM 1384 CE LYS A 88 121.239 -1.811 6.402 1.00 0.00 C ATOM 1385 NZ LYS A 88 120.729 -2.835 7.355 1.00 0.00 N ATOM 0 H LYS A 88 121.810 1.748 3.505 1.00 0.00 H new ATOM 0 HA LYS A 88 120.072 0.726 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 88 118.778 -0.390 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.120 -1.241 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 88 121.677 -0.358 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 88 120.389 0.597 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 88 119.215 -1.327 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 88 120.039 -2.402 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.156 -2.164 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.488 -0.894 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.452 -3.028 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 119.866 -2.482 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 120.512 -3.712 6.839 1.00 0.00 H new ATOM 1399 N LEU A 89 118.126 2.135 2.255 1.00 0.00 N ATOM 1400 CA LEU A 89 117.189 3.225 2.647 1.00 0.00 C ATOM 1401 C LEU A 89 116.179 2.655 3.642 1.00 0.00 C ATOM 1402 O LEU A 89 115.252 1.965 3.270 1.00 0.00 O ATOM 1403 CB LEU A 89 116.455 3.740 1.403 1.00 0.00 C ATOM 1404 CG LEU A 89 117.130 5.017 0.893 1.00 0.00 C ATOM 1405 CD1 LEU A 89 116.646 5.317 -0.527 1.00 0.00 C ATOM 1406 CD2 LEU A 89 116.774 6.192 1.810 1.00 0.00 C ATOM 0 H LEU A 89 117.769 1.490 1.550 1.00 0.00 H new ATOM 0 HA LEU A 89 117.737 4.050 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.462 2.978 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.411 3.941 1.643 1.00 0.00 H new ATOM 0 HG LEU A 89 118.211 4.876 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.126 6.226 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 89 116.902 4.484 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 89 115.565 5.455 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.256 7.098 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 89 115.693 6.333 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.119 5.981 2.822 1.00 0.00 H new ATOM 1418 N ILE A 90 116.355 2.920 4.907 1.00 0.00 N ATOM 1419 CA ILE A 90 115.403 2.368 5.909 1.00 0.00 C ATOM 1420 C ILE A 90 114.062 3.087 5.820 1.00 0.00 C ATOM 1421 O ILE A 90 113.944 4.149 5.247 1.00 0.00 O ATOM 1422 CB ILE A 90 115.961 2.507 7.320 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.822 3.752 7.420 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.804 1.279 7.665 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.022 4.089 8.889 1.00 0.00 C ATOM 0 H ILE A 90 117.110 3.490 5.287 1.00 0.00 H new ATOM 0 HA ILE A 90 115.260 1.310 5.689 1.00 0.00 H new ATOM 0 HB ILE A 90 115.130 2.588 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.784 3.586 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.345 4.584 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.201 1.382 8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.184 0.384 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.629 1.194 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.640 4.983 8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.054 4.270 9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.516 3.256 9.389 1.00 0.00 H new ATOM 1437 N GLY A 91 113.056 2.496 6.395 1.00 0.00 N ATOM 1438 CA GLY A 91 111.696 3.097 6.383 1.00 0.00 C ATOM 1439 C GLY A 91 111.002 2.722 7.689 1.00 0.00 C ATOM 1440 O GLY A 91 110.431 1.659 7.822 1.00 0.00 O ATOM 0 H GLY A 91 113.120 1.603 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.759 4.181 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.125 2.731 5.530 1.00 0.00 H new ATOM 1444 N LYS A 92 111.054 3.581 8.657 1.00 0.00 N ATOM 1445 CA LYS A 92 110.414 3.274 9.956 1.00 0.00 C ATOM 1446 C LYS A 92 108.974 3.777 9.921 1.00 0.00 C ATOM 1447 O LYS A 92 108.725 4.957 10.002 1.00 0.00 O ATOM 1448 CB LYS A 92 111.207 3.965 11.075 1.00 0.00 C ATOM 1449 CG LYS A 92 110.261 4.514 12.145 1.00 0.00 C ATOM 1450 CD LYS A 92 111.028 4.704 13.455 1.00 0.00 C ATOM 1451 CE LYS A 92 110.062 5.156 14.553 1.00 0.00 C ATOM 1452 NZ LYS A 92 109.978 6.644 14.559 1.00 0.00 N ATOM 0 H LYS A 92 111.515 4.489 8.605 1.00 0.00 H new ATOM 0 HA LYS A 92 110.409 2.200 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.903 3.257 11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 92 111.803 4.777 10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 92 109.837 5.464 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 92 109.428 3.828 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 92 111.512 3.771 13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 92 111.817 5.445 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 92 109.075 4.726 14.383 1.00 0.00 H new ATOM 0 HE3 LYS A 92 110.404 4.796 15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 110.202 7.001 15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 110.657 7.033 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 109.016 6.938 14.297 1.00 0.00 H new ATOM 1466 N PHE A 93 108.028 2.887 9.786 1.00 0.00 N ATOM 1467 CA PHE A 93 106.601 3.309 9.731 1.00 0.00 C ATOM 1468 C PHE A 93 105.842 2.711 10.906 1.00 0.00 C ATOM 1469 O PHE A 93 105.829 1.514 11.119 1.00 0.00 O ATOM 1470 CB PHE A 93 105.975 2.828 8.416 1.00 0.00 C ATOM 1471 CG PHE A 93 106.161 3.863 7.321 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.854 5.058 7.570 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.636 3.617 6.045 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.017 6.000 6.548 1.00 0.00 C ATOM 1475 CE2 PHE A 93 105.801 4.561 5.025 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.491 5.751 5.276 1.00 0.00 C ATOM 0 H PHE A 93 108.184 1.882 9.711 1.00 0.00 H new ATOM 0 HA PHE A 93 106.545 4.396 9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.432 1.886 8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.912 2.634 8.563 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.262 5.251 8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.104 2.698 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.549 6.920 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.395 4.370 4.043 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.618 6.478 4.488 1.00 0.00 H new ATOM 1486 N LYS A 94 105.199 3.547 11.666 1.00 0.00 N ATOM 1487 CA LYS A 94 104.420 3.056 12.831 1.00 0.00 C ATOM 1488 C LYS A 94 102.933 3.125 12.501 1.00 0.00 C ATOM 1489 O LYS A 94 102.385 4.188 12.290 1.00 0.00 O ATOM 1490 CB LYS A 94 104.702 3.932 14.051 1.00 0.00 C ATOM 1491 CG LYS A 94 106.012 3.494 14.706 1.00 0.00 C ATOM 1492 CD LYS A 94 106.188 4.233 16.036 1.00 0.00 C ATOM 1493 CE LYS A 94 107.622 4.053 16.546 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.325 5.366 16.519 1.00 0.00 N ATOM 0 H LYS A 94 105.180 4.558 11.529 1.00 0.00 H new ATOM 0 HA LYS A 94 104.708 2.028 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.765 4.979 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.882 3.853 14.765 1.00 0.00 H new ATOM 0 HG2 LYS A 94 106.005 2.417 14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.851 3.708 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 94 105.970 5.293 15.905 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.480 3.850 16.771 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.612 3.654 17.560 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.153 3.331 15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 109.352 5.212 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.103 5.860 15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 108.012 5.944 17.325 1.00 0.00 H new ATOM 1508 N ARG A 95 102.275 2.003 12.457 1.00 0.00 N ATOM 1509 CA ARG A 95 100.820 2.014 12.141 1.00 0.00 C ATOM 1510 C ARG A 95 100.114 2.956 13.114 1.00 0.00 C ATOM 1511 O ARG A 95 100.075 2.721 14.302 1.00 0.00 O ATOM 1512 CB ARG A 95 100.247 0.601 12.286 1.00 0.00 C ATOM 1513 CG ARG A 95 100.449 -0.174 10.981 1.00 0.00 C ATOM 1514 CD ARG A 95 99.534 -1.400 10.969 1.00 0.00 C ATOM 1515 NE ARG A 95 98.112 -0.958 10.900 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.159 -1.840 10.778 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.914 -1.453 10.719 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.451 -3.110 10.716 1.00 0.00 N ATOM 0 H ARG A 95 102.679 1.081 12.625 1.00 0.00 H new ATOM 0 HA ARG A 95 100.667 2.354 11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.738 0.081 13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.186 0.652 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.228 0.467 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.490 -0.483 10.886 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.770 -2.035 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.697 -1.998 11.866 1.00 0.00 H new ATOM 0 HE ARG A 95 97.884 0.035 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.686 -0.460 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.169 -2.143 10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.424 -3.412 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.706 -3.800 10.621 1.00 0.00 H new ATOM 1532 N THR A 96 99.564 4.026 12.622 1.00 0.00 N ATOM 1533 CA THR A 96 98.875 4.983 13.527 1.00 0.00 C ATOM 1534 C THR A 96 97.569 4.377 14.002 1.00 0.00 C ATOM 1535 O THR A 96 96.928 4.845 14.922 1.00 0.00 O ATOM 1536 CB THR A 96 98.597 6.275 12.770 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.568 6.004 11.376 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.696 7.294 13.069 1.00 0.00 C ATOM 0 H THR A 96 99.561 4.280 11.634 1.00 0.00 H new ATOM 0 HA THR A 96 99.507 5.195 14.390 1.00 0.00 H new ATOM 0 HB THR A 96 97.636 6.681 13.085 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.289 5.076 11.229 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.494 8.217 12.526 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.719 7.500 14.139 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.660 6.892 12.756 1.00 0.00 H new ATOM 1546 N ASP A 97 97.191 3.338 13.363 1.00 0.00 N ATOM 1547 CA ASP A 97 95.928 2.636 13.720 1.00 0.00 C ATOM 1548 C ASP A 97 96.163 1.741 14.937 1.00 0.00 C ATOM 1549 O ASP A 97 95.390 1.738 15.875 1.00 0.00 O ATOM 1550 CB ASP A 97 95.468 1.780 12.538 1.00 0.00 C ATOM 1551 CG ASP A 97 94.095 1.180 12.845 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.415 0.796 11.908 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.748 1.113 14.012 1.00 0.00 O ATOM 0 H ASP A 97 97.705 2.922 12.586 1.00 0.00 H new ATOM 0 HA ASP A 97 95.160 3.373 13.957 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.417 2.387 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 97 96.190 0.985 12.348 1.00 0.00 H new ATOM 1558 N ASN A 98 97.220 0.978 14.927 1.00 0.00 N ATOM 1559 CA ASN A 98 97.502 0.077 16.080 1.00 0.00 C ATOM 1560 C ASN A 98 98.968 0.211 16.506 1.00 0.00 C ATOM 1561 O ASN A 98 99.449 -0.538 17.334 1.00 0.00 O ATOM 1562 CB ASN A 98 97.222 -1.371 15.675 1.00 0.00 C ATOM 1563 CG ASN A 98 95.729 -1.667 15.840 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.271 -1.943 16.931 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.949 -1.622 14.796 1.00 0.00 N ATOM 0 H ASN A 98 97.902 0.939 14.169 1.00 0.00 H new ATOM 0 HA ASN A 98 96.860 0.357 16.915 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.524 -1.536 14.641 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.809 -2.052 16.291 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.953 -1.819 14.895 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.335 -1.390 13.881 1.00 0.00 H new ATOM 1572 N GLY A 99 99.686 1.151 15.952 1.00 0.00 N ATOM 1573 CA GLY A 99 101.117 1.311 16.339 1.00 0.00 C ATOM 1574 C GLY A 99 101.790 -0.061 16.374 1.00 0.00 C ATOM 1575 O GLY A 99 102.554 -0.366 17.266 1.00 0.00 O ATOM 0 H GLY A 99 99.346 1.811 15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.627 1.960 15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.190 1.789 17.316 1.00 0.00 H new ATOM 1579 N ASN A 100 101.509 -0.895 15.409 1.00 0.00 N ATOM 1580 CA ASN A 100 102.132 -2.249 15.396 1.00 0.00 C ATOM 1581 C ASN A 100 103.569 -2.144 14.894 1.00 0.00 C ATOM 1582 O ASN A 100 104.212 -3.129 14.595 1.00 0.00 O ATOM 1583 CB ASN A 100 101.330 -3.178 14.482 1.00 0.00 C ATOM 1584 CG ASN A 100 100.244 -3.885 15.295 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.989 -3.685 14.999 1.00 0.00 O flip ATOM 1586 ND2 ASN A 100 100.540 -4.628 16.211 1.00 0.00 N flip ATOM 0 H ASN A 100 100.878 -0.698 14.632 1.00 0.00 H new ATOM 0 HA ASN A 100 102.132 -2.657 16.407 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.878 -2.606 13.672 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.991 -3.913 14.023 1.00 0.00 H new ATOM 0 HD21 ASN A 100 101.521 -4.785 16.444 1.00 0.00 H new ATOM 0 HD22 ASN A 100 99.808 -5.094 16.747 1.00 0.00 H new ATOM 1593 N GLU A 101 104.070 -0.951 14.826 1.00 0.00 N ATOM 1594 CA GLU A 101 105.475 -0.730 14.367 1.00 0.00 C ATOM 1595 C GLU A 101 105.762 -1.512 13.077 1.00 0.00 C ATOM 1596 O GLU A 101 105.545 -2.704 12.995 1.00 0.00 O ATOM 1597 CB GLU A 101 106.441 -1.189 15.466 1.00 0.00 C ATOM 1598 CG GLU A 101 106.951 0.026 16.242 1.00 0.00 C ATOM 1599 CD GLU A 101 107.489 -0.423 17.601 1.00 0.00 C ATOM 1600 OE1 GLU A 101 106.794 -0.232 18.585 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.589 -0.951 17.635 1.00 0.00 O ATOM 0 H GLU A 101 103.563 -0.101 15.071 1.00 0.00 H new ATOM 0 HA GLU A 101 105.612 0.332 14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 101 105.937 -1.879 16.142 1.00 0.00 H new ATOM 0 HB3 GLU A 101 107.279 -1.729 15.025 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.736 0.528 15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.145 0.747 16.379 1.00 0.00 H new ATOM 1608 N LEU A 102 106.281 -0.846 12.080 1.00 0.00 N ATOM 1609 CA LEU A 102 106.619 -1.539 10.805 1.00 0.00 C ATOM 1610 C LEU A 102 108.060 -1.183 10.440 1.00 0.00 C ATOM 1611 O LEU A 102 108.396 -0.027 10.276 1.00 0.00 O ATOM 1612 CB LEU A 102 105.673 -1.082 9.689 1.00 0.00 C ATOM 1613 CG LEU A 102 105.843 -1.992 8.463 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.622 -1.856 7.548 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.109 -1.599 7.685 1.00 0.00 C ATOM 0 H LEU A 102 106.486 0.153 12.095 1.00 0.00 H new ATOM 0 HA LEU A 102 106.512 -2.617 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.641 -1.114 10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.886 -0.048 9.419 1.00 0.00 H new ATOM 0 HG LEU A 102 105.936 -3.025 8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 104.745 -2.502 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 102 103.724 -2.148 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.527 -0.821 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.220 -2.250 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.026 -0.564 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.980 -1.704 8.331 1.00 0.00 H new ATOM 1627 N ASN A 103 108.919 -2.159 10.321 1.00 0.00 N ATOM 1628 CA ASN A 103 110.338 -1.854 9.978 1.00 0.00 C ATOM 1629 C ASN A 103 110.609 -2.293 8.542 1.00 0.00 C ATOM 1630 O ASN A 103 110.673 -3.467 8.246 1.00 0.00 O ATOM 1631 CB ASN A 103 111.271 -2.602 10.940 1.00 0.00 C ATOM 1632 CG ASN A 103 111.953 -1.603 11.879 1.00 0.00 C ATOM 1633 OD1 ASN A 103 113.139 -1.365 11.773 1.00 0.00 O ATOM 1634 ND2 ASN A 103 111.246 -1.006 12.800 1.00 0.00 N ATOM 0 H ASN A 103 108.702 -3.148 10.445 1.00 0.00 H new ATOM 0 HA ASN A 103 110.519 -0.783 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.704 -3.331 11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.021 -3.157 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 103 111.690 -0.339 13.431 1.00 0.00 H new ATOM 0 HD22 ASN A 103 110.250 -1.207 12.888 1.00 0.00 H new ATOM 1641 N THR A 104 110.750 -1.359 7.640 1.00 0.00 N ATOM 1642 CA THR A 104 110.984 -1.733 6.220 1.00 0.00 C ATOM 1643 C THR A 104 112.279 -1.114 5.693 1.00 0.00 C ATOM 1644 O THR A 104 112.948 -0.357 6.366 1.00 0.00 O ATOM 1645 CB THR A 104 109.813 -1.224 5.380 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.125 -1.358 4.000 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.568 0.248 5.712 1.00 0.00 C ATOM 0 H THR A 104 110.713 -0.357 7.827 1.00 0.00 H new ATOM 0 HA THR A 104 111.068 -2.818 6.153 1.00 0.00 H new ATOM 0 HB THR A 104 108.918 -1.805 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.298 -2.300 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 104 108.734 0.621 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.332 0.348 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.463 0.826 5.484 1.00 0.00 H new ATOM 1655 N VAL A 105 112.620 -1.438 4.474 1.00 0.00 N ATOM 1656 CA VAL A 105 113.855 -0.887 3.856 1.00 0.00 C ATOM 1657 C VAL A 105 113.630 -0.744 2.348 1.00 0.00 C ATOM 1658 O VAL A 105 112.753 -1.369 1.784 1.00 0.00 O ATOM 1659 CB VAL A 105 115.027 -1.836 4.115 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.280 -1.303 3.419 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.281 -1.930 5.620 1.00 0.00 C ATOM 0 H VAL A 105 112.087 -2.069 3.875 1.00 0.00 H new ATOM 0 HA VAL A 105 114.084 0.086 4.290 1.00 0.00 H new ATOM 0 HB VAL A 105 114.788 -2.825 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.114 -1.979 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.099 -1.235 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.521 -0.314 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.116 -2.606 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.520 -0.941 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.388 -2.310 6.117 1.00 0.00 H new ATOM 1671 N ARG A 106 114.406 0.076 1.689 1.00 0.00 N ATOM 1672 CA ARG A 106 114.220 0.257 0.221 1.00 0.00 C ATOM 1673 C ARG A 106 115.570 0.133 -0.490 1.00 0.00 C ATOM 1674 O ARG A 106 116.570 0.660 -0.040 1.00 0.00 O ATOM 1675 CB ARG A 106 113.628 1.642 -0.045 1.00 0.00 C ATOM 1676 CG ARG A 106 113.122 1.719 -1.486 1.00 0.00 C ATOM 1677 CD ARG A 106 112.553 3.114 -1.752 1.00 0.00 C ATOM 1678 NE ARG A 106 111.631 3.494 -0.644 1.00 0.00 N ATOM 1679 CZ ARG A 106 110.407 3.043 -0.629 1.00 0.00 C ATOM 1680 NH1 ARG A 106 109.600 3.376 0.341 1.00 0.00 N ATOM 1681 NH2 ARG A 106 109.989 2.258 -1.585 1.00 0.00 N ATOM 0 H ARG A 106 115.158 0.626 2.103 1.00 0.00 H new ATOM 0 HA ARG A 106 113.544 -0.510 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 106 112.810 1.838 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.382 2.410 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.935 1.508 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.355 0.963 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.363 3.840 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.020 3.126 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 106 111.957 4.107 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 106 109.926 3.989 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.643 3.023 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 106 110.619 1.998 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 106 109.032 1.905 -1.573 1.00 0.00 H new ATOM 1695 N GLU A 107 115.608 -0.562 -1.596 1.00 0.00 N ATOM 1696 CA GLU A 107 116.893 -0.722 -2.335 1.00 0.00 C ATOM 1697 C GLU A 107 116.630 -0.605 -3.838 1.00 0.00 C ATOM 1698 O GLU A 107 115.524 -0.803 -4.300 1.00 0.00 O ATOM 1699 CB GLU A 107 117.493 -2.094 -2.024 1.00 0.00 C ATOM 1700 CG GLU A 107 118.298 -2.017 -0.724 1.00 0.00 C ATOM 1701 CD GLU A 107 119.035 -3.338 -0.501 1.00 0.00 C ATOM 1702 OE1 GLU A 107 118.398 -4.284 -0.068 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.225 -3.382 -0.767 1.00 0.00 O ATOM 0 H GLU A 107 114.804 -1.026 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 107 117.592 0.055 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 107 116.700 -2.836 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.136 -2.416 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.011 -1.194 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.634 -1.813 0.116 1.00 0.00 H new ATOM 1710 N ILE A 108 117.640 -0.292 -4.606 1.00 0.00 N ATOM 1711 CA ILE A 108 117.461 -0.171 -6.065 1.00 0.00 C ATOM 1712 C ILE A 108 118.423 -1.147 -6.722 1.00 0.00 C ATOM 1713 O ILE A 108 119.515 -0.793 -7.120 1.00 0.00 O ATOM 1714 CB ILE A 108 117.798 1.252 -6.501 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.024 2.263 -5.634 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.418 1.414 -7.964 1.00 0.00 C ATOM 1717 CD1 ILE A 108 115.859 2.865 -6.429 1.00 0.00 C ATOM 0 H ILE A 108 118.587 -0.115 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 108 116.432 -0.391 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 108 118.865 1.438 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.646 1.770 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 108 117.694 3.056 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.653 2.427 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.978 0.699 -8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.350 1.232 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 108 115.321 3.577 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.246 3.376 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.181 2.070 -6.739 1.00 0.00 H new ATOM 1729 N ILE A 109 118.037 -2.382 -6.812 1.00 0.00 N ATOM 1730 CA ILE A 109 118.942 -3.392 -7.413 1.00 0.00 C ATOM 1731 C ILE A 109 119.095 -3.111 -8.901 1.00 0.00 C ATOM 1732 O ILE A 109 118.339 -3.593 -9.719 1.00 0.00 O ATOM 1733 CB ILE A 109 118.364 -4.795 -7.215 1.00 0.00 C ATOM 1734 CG1 ILE A 109 117.944 -4.982 -5.751 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.420 -5.840 -7.581 1.00 0.00 C ATOM 1736 CD1 ILE A 109 119.169 -5.311 -4.893 1.00 0.00 C ATOM 0 H ILE A 109 117.135 -2.737 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 109 119.916 -3.336 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 109 117.492 -4.918 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 109 117.465 -4.075 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 109 117.210 -5.784 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.008 -6.839 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.712 -5.712 -8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.293 -5.714 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.862 -5.442 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 109 119.630 -6.231 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 109 119.889 -4.495 -4.958 1.00 0.00 H new ATOM 1748 N GLY A 110 120.085 -2.347 -9.250 1.00 0.00 N ATOM 1749 CA GLY A 110 120.326 -2.032 -10.688 1.00 0.00 C ATOM 1750 C GLY A 110 119.003 -1.757 -11.411 1.00 0.00 C ATOM 1751 O GLY A 110 118.640 -0.621 -11.641 1.00 0.00 O ATOM 0 H GLY A 110 120.745 -1.922 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 110 120.979 -1.163 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.841 -2.865 -11.166 1.00 0.00 H new ATOM 1755 N ASP A 111 118.288 -2.786 -11.794 1.00 0.00 N ATOM 1756 CA ASP A 111 117.005 -2.575 -12.524 1.00 0.00 C ATOM 1757 C ASP A 111 115.825 -3.144 -11.730 1.00 0.00 C ATOM 1758 O ASP A 111 114.828 -3.549 -12.295 1.00 0.00 O ATOM 1759 CB ASP A 111 117.078 -3.265 -13.888 1.00 0.00 C ATOM 1760 CG ASP A 111 118.456 -3.025 -14.508 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.158 -3.995 -14.735 1.00 0.00 O ATOM 1762 OD2 ASP A 111 118.784 -1.874 -14.746 1.00 0.00 O ATOM 0 H ASP A 111 118.539 -3.761 -11.632 1.00 0.00 H new ATOM 0 HA ASP A 111 116.852 -1.504 -12.654 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.899 -4.334 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.299 -2.878 -14.545 1.00 0.00 H new ATOM 1767 N GLU A 112 115.915 -3.166 -10.432 1.00 0.00 N ATOM 1768 CA GLU A 112 114.784 -3.692 -9.620 1.00 0.00 C ATOM 1769 C GLU A 112 114.715 -2.923 -8.299 1.00 0.00 C ATOM 1770 O GLU A 112 115.717 -2.708 -7.646 1.00 0.00 O ATOM 1771 CB GLU A 112 114.990 -5.186 -9.343 1.00 0.00 C ATOM 1772 CG GLU A 112 115.957 -5.773 -10.374 1.00 0.00 C ATOM 1773 CD GLU A 112 116.145 -7.267 -10.101 1.00 0.00 C ATOM 1774 OE1 GLU A 112 117.242 -7.647 -9.732 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.188 -8.004 -10.269 1.00 0.00 O ATOM 0 H GLU A 112 116.722 -2.843 -9.898 1.00 0.00 H new ATOM 0 HA GLU A 112 113.851 -3.562 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.385 -5.328 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.035 -5.709 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.568 -5.622 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.917 -5.259 -10.323 1.00 0.00 H new ATOM 1782 N LEU A 113 113.544 -2.509 -7.893 1.00 0.00 N ATOM 1783 CA LEU A 113 113.431 -1.758 -6.610 1.00 0.00 C ATOM 1784 C LEU A 113 112.992 -2.732 -5.523 1.00 0.00 C ATOM 1785 O LEU A 113 111.919 -3.291 -5.581 1.00 0.00 O ATOM 1786 CB LEU A 113 112.396 -0.637 -6.759 1.00 0.00 C ATOM 1787 CG LEU A 113 112.794 0.564 -5.894 1.00 0.00 C ATOM 1788 CD1 LEU A 113 112.238 1.852 -6.512 1.00 0.00 C ATOM 1789 CD2 LEU A 113 112.221 0.386 -4.486 1.00 0.00 C ATOM 0 H LEU A 113 112.666 -2.657 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 113 114.390 -1.313 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.323 -0.335 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.411 -0.998 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 113 113.881 0.629 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 113 112.523 2.704 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 113 112.644 1.979 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 113 111.151 1.790 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 113 112.502 1.239 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.134 0.321 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 113 112.618 -0.528 -4.045 1.00 0.00 H new ATOM 1801 N VAL A 114 113.814 -2.960 -4.539 1.00 0.00 N ATOM 1802 CA VAL A 114 113.427 -3.928 -3.480 1.00 0.00 C ATOM 1803 C VAL A 114 112.940 -3.186 -2.236 1.00 0.00 C ATOM 1804 O VAL A 114 113.680 -2.470 -1.591 1.00 0.00 O ATOM 1805 CB VAL A 114 114.638 -4.797 -3.120 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.515 -5.293 -1.677 1.00 0.00 C ATOM 1807 CG2 VAL A 114 114.699 -6.001 -4.062 1.00 0.00 C ATOM 0 H VAL A 114 114.728 -2.523 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 114 112.619 -4.558 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 114 115.546 -4.202 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.379 -5.909 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.473 -4.439 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.605 -5.884 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 114 115.560 -6.619 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 114 113.787 -6.589 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 114 114.794 -5.654 -5.091 1.00 0.00 H new ATOM 1817 N GLN A 115 111.702 -3.382 -1.883 1.00 0.00 N ATOM 1818 CA GLN A 115 111.150 -2.728 -0.668 1.00 0.00 C ATOM 1819 C GLN A 115 110.754 -3.830 0.313 1.00 0.00 C ATOM 1820 O GLN A 115 109.752 -4.496 0.139 1.00 0.00 O ATOM 1821 CB GLN A 115 109.917 -1.901 -1.042 1.00 0.00 C ATOM 1822 CG GLN A 115 109.488 -1.052 0.157 1.00 0.00 C ATOM 1823 CD GLN A 115 108.441 -0.031 -0.291 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.254 0.187 -1.471 1.00 0.00 O ATOM 1825 NE2 GLN A 115 107.747 0.611 0.609 1.00 0.00 N ATOM 0 H GLN A 115 111.043 -3.973 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 115 111.890 -2.065 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.141 -1.259 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.103 -2.559 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.078 -1.690 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.352 -0.541 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.904 0.428 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.048 1.296 0.321 1.00 0.00 H new ATOM 1834 N THR A 116 111.544 -4.053 1.326 1.00 0.00 N ATOM 1835 CA THR A 116 111.217 -5.136 2.293 1.00 0.00 C ATOM 1836 C THR A 116 110.624 -4.542 3.563 1.00 0.00 C ATOM 1837 O THR A 116 110.969 -3.455 3.975 1.00 0.00 O ATOM 1838 CB THR A 116 112.490 -5.905 2.650 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.358 -5.934 1.526 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.134 -7.335 3.062 1.00 0.00 C ATOM 0 H THR A 116 112.399 -3.534 1.525 1.00 0.00 H new ATOM 0 HA THR A 116 110.492 -5.809 1.836 1.00 0.00 H new ATOM 0 HB THR A 116 112.989 -5.407 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.174 -6.425 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.045 -7.878 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.473 -7.310 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.630 -7.837 2.236 1.00 0.00 H new ATOM 1848 N TYR A 117 109.748 -5.265 4.199 1.00 0.00 N ATOM 1849 CA TYR A 117 109.144 -4.759 5.464 1.00 0.00 C ATOM 1850 C TYR A 117 109.256 -5.823 6.539 1.00 0.00 C ATOM 1851 O TYR A 117 109.259 -7.005 6.270 1.00 0.00 O ATOM 1852 CB TYR A 117 107.664 -4.406 5.283 1.00 0.00 C ATOM 1853 CG TYR A 117 107.411 -3.963 3.874 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.592 -4.869 2.839 1.00 0.00 C ATOM 1855 CD2 TYR A 117 106.989 -2.658 3.608 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.353 -4.478 1.518 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.748 -2.258 2.291 1.00 0.00 C ATOM 1858 CZ TYR A 117 106.930 -3.171 1.242 1.00 0.00 C ATOM 1859 OH TYR A 117 106.693 -2.782 -0.061 1.00 0.00 O ATOM 0 H TYR A 117 109.423 -6.184 3.899 1.00 0.00 H new ATOM 0 HA TYR A 117 109.685 -3.858 5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.044 -5.271 5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.383 -3.615 5.978 1.00 0.00 H new ATOM 0 HD1 TYR A 117 107.917 -5.876 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.849 -1.959 4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.494 -5.182 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.423 -1.250 2.082 1.00 0.00 H new ATOM 0 HH TYR A 117 106.405 -1.845 -0.076 1.00 0.00 H new ATOM 1869 N VAL A 118 109.315 -5.395 7.756 1.00 0.00 N ATOM 1870 CA VAL A 118 109.391 -6.346 8.896 1.00 0.00 C ATOM 1871 C VAL A 118 108.176 -6.136 9.763 1.00 0.00 C ATOM 1872 O VAL A 118 107.655 -5.041 9.875 1.00 0.00 O ATOM 1873 CB VAL A 118 110.630 -6.091 9.747 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.845 -7.274 10.697 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.857 -5.911 8.847 1.00 0.00 C ATOM 0 H VAL A 118 109.314 -4.410 8.020 1.00 0.00 H new ATOM 0 HA VAL A 118 109.439 -7.361 8.503 1.00 0.00 H new ATOM 0 HB VAL A 118 110.488 -5.181 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.730 -7.095 11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 118 109.975 -7.384 11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.983 -8.186 10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.737 -5.729 9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.009 -6.813 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.699 -5.062 8.182 1.00 0.00 H new ATOM 1885 N TYR A 119 107.716 -7.170 10.374 1.00 0.00 N ATOM 1886 CA TYR A 119 106.519 -7.025 11.230 1.00 0.00 C ATOM 1887 C TYR A 119 106.610 -7.934 12.456 1.00 0.00 C ATOM 1888 O TYR A 119 106.521 -9.143 12.369 1.00 0.00 O ATOM 1889 CB TYR A 119 105.277 -7.371 10.414 1.00 0.00 C ATOM 1890 CG TYR A 119 104.170 -6.415 10.768 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.414 -6.643 11.914 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.895 -5.314 9.948 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.372 -5.772 12.250 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.856 -4.438 10.283 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.093 -4.668 11.434 1.00 0.00 C ATOM 1896 OH TYR A 119 101.066 -3.808 11.764 1.00 0.00 O ATOM 0 H TYR A 119 108.111 -8.109 10.322 1.00 0.00 H new ATOM 0 HA TYR A 119 106.457 -5.994 11.580 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.499 -7.311 9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.967 -8.396 10.618 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.632 -7.493 12.544 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.483 -5.141 9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.783 -5.951 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.643 -3.586 9.654 1.00 0.00 H new ATOM 0 HH TYR A 119 100.275 -4.021 11.226 1.00 0.00 H new ATOM 1906 N GLU A 120 106.770 -7.334 13.598 1.00 0.00 N ATOM 1907 CA GLU A 120 106.847 -8.100 14.876 1.00 0.00 C ATOM 1908 C GLU A 120 107.814 -9.271 14.754 1.00 0.00 C ATOM 1909 O GLU A 120 107.780 -10.201 15.535 1.00 0.00 O ATOM 1910 CB GLU A 120 105.456 -8.623 15.243 1.00 0.00 C ATOM 1911 CG GLU A 120 104.561 -7.449 15.648 1.00 0.00 C ATOM 1912 CD GLU A 120 103.172 -7.970 16.018 1.00 0.00 C ATOM 1913 OE1 GLU A 120 103.096 -9.055 16.573 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.207 -7.277 15.743 1.00 0.00 O ATOM 0 H GLU A 120 106.853 -6.323 13.705 1.00 0.00 H new ATOM 0 HA GLU A 120 107.212 -7.432 15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.019 -9.152 14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.529 -9.338 16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.999 -6.919 16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.487 -6.735 14.828 1.00 0.00 H new ATOM 1921 N GLY A 121 108.680 -9.231 13.792 1.00 0.00 N ATOM 1922 CA GLY A 121 109.659 -10.340 13.631 1.00 0.00 C ATOM 1923 C GLY A 121 109.349 -11.095 12.349 1.00 0.00 C ATOM 1924 O GLY A 121 109.634 -12.269 12.220 1.00 0.00 O ATOM 0 H GLY A 121 108.756 -8.479 13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.674 -9.944 13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.608 -11.014 14.486 1.00 0.00 H new ATOM 1928 N VAL A 122 108.783 -10.422 11.390 1.00 0.00 N ATOM 1929 CA VAL A 122 108.471 -11.077 10.107 1.00 0.00 C ATOM 1930 C VAL A 122 109.158 -10.289 9.024 1.00 0.00 C ATOM 1931 O VAL A 122 109.778 -9.279 9.284 1.00 0.00 O ATOM 1932 CB VAL A 122 106.966 -11.096 9.857 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.549 -9.874 9.041 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.595 -12.368 9.099 1.00 0.00 C ATOM 0 H VAL A 122 108.523 -9.437 11.447 1.00 0.00 H new ATOM 0 HA VAL A 122 108.816 -12.111 10.121 1.00 0.00 H new ATOM 0 HB VAL A 122 106.446 -11.073 10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.473 -9.901 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.807 -8.967 9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.069 -9.882 8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.520 -12.384 8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.123 -12.390 8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.877 -13.239 9.690 1.00 0.00 H new ATOM 1944 N GLU A 123 109.066 -10.727 7.820 1.00 0.00 N ATOM 1945 CA GLU A 123 109.741 -9.965 6.744 1.00 0.00 C ATOM 1946 C GLU A 123 109.081 -10.224 5.387 1.00 0.00 C ATOM 1947 O GLU A 123 109.057 -11.333 4.895 1.00 0.00 O ATOM 1948 CB GLU A 123 111.219 -10.375 6.686 1.00 0.00 C ATOM 1949 CG GLU A 123 112.102 -9.185 7.071 1.00 0.00 C ATOM 1950 CD GLU A 123 113.568 -9.530 6.805 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.386 -8.626 6.844 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.848 -10.693 6.567 1.00 0.00 O ATOM 0 H GLU A 123 108.563 -11.565 7.528 1.00 0.00 H new ATOM 0 HA GLU A 123 109.656 -8.901 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.401 -11.209 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.472 -10.718 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.815 -8.304 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.960 -8.939 8.123 1.00 0.00 H new ATOM 1959 N ALA A 124 108.574 -9.192 4.769 1.00 0.00 N ATOM 1960 CA ALA A 124 107.946 -9.347 3.428 1.00 0.00 C ATOM 1961 C ALA A 124 108.830 -8.637 2.403 1.00 0.00 C ATOM 1962 O ALA A 124 109.487 -7.666 2.722 1.00 0.00 O ATOM 1963 CB ALA A 124 106.548 -8.719 3.431 1.00 0.00 C ATOM 0 H ALA A 124 108.568 -8.242 5.139 1.00 0.00 H new ATOM 0 HA ALA A 124 107.851 -10.404 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.094 -8.836 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.928 -9.215 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.626 -7.659 3.671 1.00 0.00 H new ATOM 1969 N LYS A 125 108.873 -9.106 1.184 1.00 0.00 N ATOM 1970 CA LYS A 125 109.745 -8.435 0.180 1.00 0.00 C ATOM 1971 C LYS A 125 108.943 -8.043 -1.061 1.00 0.00 C ATOM 1972 O LYS A 125 108.123 -8.791 -1.555 1.00 0.00 O ATOM 1973 CB LYS A 125 110.875 -9.381 -0.231 1.00 0.00 C ATOM 1974 CG LYS A 125 112.079 -8.565 -0.710 1.00 0.00 C ATOM 1975 CD LYS A 125 113.264 -9.500 -0.961 1.00 0.00 C ATOM 1976 CE LYS A 125 113.176 -10.070 -2.378 1.00 0.00 C ATOM 1977 NZ LYS A 125 113.755 -9.095 -3.343 1.00 0.00 N ATOM 0 H LYS A 125 108.350 -9.913 0.845 1.00 0.00 H new ATOM 0 HA LYS A 125 110.158 -7.533 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.161 -10.010 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.535 -10.047 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.827 -8.027 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.345 -7.817 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.201 -8.958 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.262 -10.310 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.714 -11.017 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.137 -10.278 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 113.804 -9.528 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 113.154 -8.247 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.712 -8.828 -3.035 1.00 0.00 H new ATOM 1991 N ARG A 126 109.201 -6.873 -1.573 1.00 0.00 N ATOM 1992 CA ARG A 126 108.492 -6.403 -2.796 1.00 0.00 C ATOM 1993 C ARG A 126 109.545 -5.948 -3.809 1.00 0.00 C ATOM 1994 O ARG A 126 110.411 -5.158 -3.495 1.00 0.00 O ATOM 1995 CB ARG A 126 107.574 -5.229 -2.437 1.00 0.00 C ATOM 1996 CG ARG A 126 106.119 -5.706 -2.378 1.00 0.00 C ATOM 1997 CD ARG A 126 105.515 -5.671 -3.784 1.00 0.00 C ATOM 1998 NE ARG A 126 104.252 -6.461 -3.805 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.108 -5.871 -3.588 1.00 0.00 C ATOM 2000 NH1 ARG A 126 102.001 -6.561 -3.624 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.069 -4.591 -3.329 1.00 0.00 N ATOM 0 H ARG A 126 109.881 -6.215 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 126 107.886 -7.205 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.867 -4.807 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.676 -4.436 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.073 -6.718 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.543 -5.069 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.316 -4.641 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 126 106.223 -6.079 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 126 104.281 -7.464 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 126 102.030 -7.561 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 126 101.107 -6.100 -3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.934 -4.051 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.174 -4.132 -3.160 1.00 0.00 H new ATOM 2015 N ILE A 127 109.498 -6.451 -5.013 1.00 0.00 N ATOM 2016 CA ILE A 127 110.524 -6.049 -6.020 1.00 0.00 C ATOM 2017 C ILE A 127 109.862 -5.349 -7.207 1.00 0.00 C ATOM 2018 O ILE A 127 108.996 -5.899 -7.859 1.00 0.00 O ATOM 2019 CB ILE A 127 111.251 -7.294 -6.528 1.00 0.00 C ATOM 2020 CG1 ILE A 127 111.697 -8.162 -5.344 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.478 -6.873 -7.341 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.615 -9.639 -5.735 1.00 0.00 C ATOM 0 H ILE A 127 108.800 -7.118 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 127 111.228 -5.365 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 127 110.573 -7.870 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 127 112.717 -7.907 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.064 -7.968 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 127 112.997 -7.761 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.162 -6.266 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.151 -6.292 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 127 111.932 -10.256 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.588 -9.888 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.267 -9.826 -6.588 1.00 0.00 H new ATOM 2034 N PHE A 128 110.278 -4.149 -7.509 1.00 0.00 N ATOM 2035 CA PHE A 128 109.685 -3.429 -8.675 1.00 0.00 C ATOM 2036 C PHE A 128 110.600 -3.588 -9.891 1.00 0.00 C ATOM 2037 O PHE A 128 111.672 -4.156 -9.811 1.00 0.00 O ATOM 2038 CB PHE A 128 109.540 -1.927 -8.385 1.00 0.00 C ATOM 2039 CG PHE A 128 108.850 -1.681 -7.062 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.086 -2.684 -6.474 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.962 -0.432 -6.438 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.429 -2.449 -5.261 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.310 -0.195 -5.222 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.541 -1.206 -4.634 1.00 0.00 C ATOM 0 H PHE A 128 111.000 -3.637 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 128 108.701 -3.857 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.525 -1.461 -8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 128 108.972 -1.454 -9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.000 -3.647 -6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.552 0.349 -6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.835 -3.230 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.400 0.766 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.035 -1.025 -3.697 1.00 0.00 H new ATOM 2054 N LYS A 129 110.180 -3.068 -11.011 1.00 0.00 N ATOM 2055 CA LYS A 129 110.998 -3.156 -12.252 1.00 0.00 C ATOM 2056 C LYS A 129 110.610 -2.001 -13.180 1.00 0.00 C ATOM 2057 O LYS A 129 109.459 -1.622 -13.265 1.00 0.00 O ATOM 2058 CB LYS A 129 110.734 -4.487 -12.955 1.00 0.00 C ATOM 2059 CG LYS A 129 111.812 -4.729 -14.017 1.00 0.00 C ATOM 2060 CD LYS A 129 111.221 -5.534 -15.175 1.00 0.00 C ATOM 2061 CE LYS A 129 112.336 -6.305 -15.884 1.00 0.00 C ATOM 2062 NZ LYS A 129 111.792 -6.943 -17.117 1.00 0.00 N ATOM 0 H LYS A 129 109.292 -2.579 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 129 112.057 -3.093 -12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 129 110.735 -5.300 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 129 109.748 -4.476 -13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.197 -3.777 -14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 129 112.653 -5.266 -13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 129 110.466 -6.226 -14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 129 110.722 -4.867 -15.878 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.153 -5.631 -16.141 1.00 0.00 H new ATOM 0 HE3 LYS A 129 112.747 -7.065 -15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 112.549 -7.467 -17.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 111.027 -7.598 -16.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 111.420 -6.209 -17.753 1.00 0.00 H new ATOM 2076 N LYS A 130 111.561 -1.435 -13.865 1.00 0.00 N ATOM 2077 CA LYS A 130 111.250 -0.297 -14.776 1.00 0.00 C ATOM 2078 C LYS A 130 110.037 -0.643 -15.640 1.00 0.00 C ATOM 2079 O LYS A 130 109.958 -1.708 -16.219 1.00 0.00 O ATOM 2080 CB LYS A 130 112.457 -0.023 -15.677 1.00 0.00 C ATOM 2081 CG LYS A 130 113.156 -1.342 -16.013 1.00 0.00 C ATOM 2082 CD LYS A 130 114.245 -1.091 -17.058 1.00 0.00 C ATOM 2083 CE LYS A 130 114.595 -2.406 -17.756 1.00 0.00 C ATOM 2084 NZ LYS A 130 113.610 -2.671 -18.843 1.00 0.00 N ATOM 0 H LYS A 130 112.543 -1.710 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 130 111.027 0.590 -14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.135 0.473 -16.593 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.152 0.651 -15.176 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.594 -1.774 -15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.432 -2.063 -16.393 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.901 -0.359 -17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 130 115.132 -0.673 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.602 -2.354 -18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 130 114.587 -3.225 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 113.849 -3.565 -19.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 112.655 -2.738 -18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 113.638 -1.894 -19.534 1.00 0.00 H new ATOM 2098 N ASP A 131 109.089 0.251 -15.730 1.00 0.00 N ATOM 2099 CA ASP A 131 107.882 -0.026 -16.556 1.00 0.00 C ATOM 2100 C ASP A 131 107.177 1.291 -16.887 1.00 0.00 C ATOM 2101 O ASP A 131 107.717 2.331 -16.548 1.00 0.00 O ATOM 2102 CB ASP A 131 106.926 -0.934 -15.778 1.00 0.00 C ATOM 2103 CG ASP A 131 107.504 -2.350 -15.718 1.00 0.00 C ATOM 2104 OD1 ASP A 131 107.471 -3.026 -16.733 1.00 0.00 O ATOM 2105 OD2 ASP A 131 107.967 -2.735 -14.657 1.00 0.00 O ATOM 0 H ASP A 131 109.100 1.160 -15.267 1.00 0.00 H new ATOM 0 HA ASP A 131 108.181 -0.521 -17.480 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.779 -0.547 -14.770 1.00 0.00 H new ATOM 0 HB3 ASP A 131 105.948 -0.949 -16.260 1.00 0.00 H new TER 2110 ASP A 131