USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 899 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 98 GLN :FLIP amide:sc= -0.219 F(o=-2.6!,f=0.53) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -174:sc= 0.752 (180deg=0.585) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -0.74 F(o=-4.6!,f=-0.7) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.0363 X(o=-0.7,f=-0.83) USER MOD Set 3.1: A 24 SER OG : rot 100:sc= -0.241 USER MOD Set 3.2: A 26 LYS NZ :NH3+ -174:sc= 0.546 (180deg=-0.0795) USER MOD Set 4.1: A 11 GLN : amide:sc= 0.15 X(o=0.25,f=-0.046) USER MOD Set 4.2: A 20 TYR OH : rot -100:sc= 0.104 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.28 (180deg=-0.958) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -31:sc= 0.182 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0906 F(o=-4.3!,f=-0.091) USER MOD Single : A 15 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.17) USER MOD Single : A 21 MET CE :methyl 151:sc= -0.676 (180deg=-3.79!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 60:sc= 0 USER MOD Single : A 30 CYS SG : rot -61:sc= -0.301 USER MOD Single : A 33 SER OG : rot -94:sc= -2.61! USER MOD Single : A 35 GLN :FLIP amide:sc= -1.5 F(o=-3.6,f=-1.5) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.978 F(o=-3.9!,f=-0.98) USER MOD Single : A 43 CYS SG : rot -78:sc= -3.86! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -70:sc= -1.13! USER MOD Single : A 67 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -2.15! C(o=-3.8!,f=-2.2!) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0448 USER MOD Single : A 90 MET CE :methyl 180:sc= -0.0692 (180deg=-0.0692) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 97 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 103 THR OG1 : rot 83:sc= 0.00155 USER MOD Single : A 106 LYS NZ :NH3+ -134:sc= -2.87! (180deg=-5.88!) USER MOD Single : A 107 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= -0.276 (180deg=-0.39) USER MOD Single : A 109 SER OG : rot 44:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.631 5.630 -0.391 1.00 0.00 N ATOM 2 CA MET A 1 21.540 6.700 0.086 1.00 0.00 C ATOM 3 C MET A 1 21.047 8.061 -0.384 1.00 0.00 C ATOM 4 O MET A 1 20.511 8.837 0.402 1.00 0.00 O ATOM 5 CB MET A 1 22.939 6.427 -0.470 1.00 0.00 C ATOM 6 CG MET A 1 23.966 7.482 -0.094 1.00 0.00 C ATOM 7 SD MET A 1 25.579 7.168 -0.839 1.00 0.00 S ATOM 8 CE MET A 1 25.172 7.228 -2.584 1.00 0.00 C ATOM 0 H1 MET A 1 20.979 4.707 -0.063 1.00 0.00 H new ATOM 0 H2 MET A 1 19.675 5.793 -0.015 1.00 0.00 H new ATOM 0 H3 MET A 1 20.600 5.639 -1.430 1.00 0.00 H new ATOM 0 HA MET A 1 21.565 6.706 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.280 5.457 -0.109 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.881 6.361 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.608 8.462 -0.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.070 7.514 0.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.065 7.478 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.796 6.256 -2.904 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.408 7.986 -2.753 1.00 0.00 H new ATOM 20 N SER A 2 21.055 8.262 -1.694 1.00 0.00 N ATOM 21 CA SER A 2 20.418 9.426 -2.273 1.00 0.00 C ATOM 22 C SER A 2 18.938 9.126 -2.450 1.00 0.00 C ATOM 23 O SER A 2 18.589 8.006 -2.828 1.00 0.00 O ATOM 24 CB SER A 2 21.080 9.786 -3.604 1.00 0.00 C ATOM 25 OG SER A 2 21.077 8.684 -4.494 1.00 0.00 O ATOM 0 H SER A 2 21.494 7.636 -2.369 1.00 0.00 H new ATOM 0 HA SER A 2 20.531 10.287 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.554 10.625 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.105 10.111 -3.427 1.00 0.00 H new ATOM 0 HG SER A 2 21.505 8.943 -5.337 1.00 0.00 H new ATOM 31 N THR A 3 18.085 10.053 -2.018 1.00 0.00 N ATOM 32 CA THR A 3 16.646 9.810 -1.955 1.00 0.00 C ATOM 33 C THR A 3 16.328 8.855 -0.801 1.00 0.00 C ATOM 34 O THR A 3 17.001 7.844 -0.611 1.00 0.00 O ATOM 35 CB THR A 3 16.116 9.223 -3.285 1.00 0.00 C ATOM 36 OG1 THR A 3 16.421 10.120 -4.362 1.00 0.00 O ATOM 37 CG2 THR A 3 14.614 8.982 -3.234 1.00 0.00 C ATOM 0 H THR A 3 18.367 10.982 -1.706 1.00 0.00 H new ATOM 0 HA THR A 3 16.149 10.765 -1.785 1.00 0.00 H new ATOM 0 HB THR A 3 16.606 8.263 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.086 9.746 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 3 14.279 8.570 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.385 8.279 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 3 14.100 9.925 -3.046 1.00 0.00 H new ATOM 45 N THR A 4 15.350 9.219 0.018 1.00 0.00 N ATOM 46 CA THR A 4 15.011 8.427 1.196 1.00 0.00 C ATOM 47 C THR A 4 13.555 8.727 1.594 1.00 0.00 C ATOM 48 O THR A 4 12.738 9.025 0.723 1.00 0.00 O ATOM 49 CB THR A 4 15.986 8.757 2.367 1.00 0.00 C ATOM 50 OG1 THR A 4 17.337 8.754 1.888 1.00 0.00 O ATOM 51 CG2 THR A 4 15.891 7.737 3.498 1.00 0.00 C ATOM 0 H THR A 4 14.779 10.054 -0.110 1.00 0.00 H new ATOM 0 HA THR A 4 15.110 7.365 0.970 1.00 0.00 H new ATOM 0 HB THR A 4 15.703 9.738 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.423 8.108 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.588 8.007 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.876 7.727 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.141 6.747 3.117 1.00 0.00 H new ATOM 59 N ILE A 5 13.236 8.661 2.886 1.00 0.00 N ATOM 60 CA ILE A 5 11.885 8.908 3.389 1.00 0.00 C ATOM 61 C ILE A 5 11.326 10.246 2.923 1.00 0.00 C ATOM 62 O ILE A 5 10.144 10.344 2.609 1.00 0.00 O ATOM 63 CB ILE A 5 11.853 8.837 4.932 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.110 7.408 5.402 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.517 9.315 5.460 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.353 7.291 6.891 1.00 0.00 C ATOM 0 H ILE A 5 13.910 8.434 3.617 1.00 0.00 H new ATOM 0 HA ILE A 5 11.251 8.123 2.976 1.00 0.00 H new ATOM 0 HB ILE A 5 12.638 9.487 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.255 6.787 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.974 7.010 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.514 9.257 6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.352 10.347 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.722 8.685 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.528 6.247 7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.226 7.884 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.481 7.658 7.432 1.00 0.00 H new ATOM 78 N GLU A 6 12.160 11.276 2.914 1.00 0.00 N ATOM 79 CA GLU A 6 11.711 12.610 2.523 1.00 0.00 C ATOM 80 C GLU A 6 11.038 12.572 1.153 1.00 0.00 C ATOM 81 O GLU A 6 9.907 13.028 0.993 1.00 0.00 O ATOM 82 CB GLU A 6 12.897 13.573 2.470 1.00 0.00 C ATOM 83 CG GLU A 6 13.725 13.603 3.742 1.00 0.00 C ATOM 84 CD GLU A 6 14.911 14.538 3.632 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.699 15.755 3.482 1.00 0.00 O ATOM 86 OE2 GLU A 6 16.062 14.054 3.664 1.00 0.00 O ATOM 0 H GLU A 6 13.145 11.218 3.171 1.00 0.00 H new ATOM 0 HA GLU A 6 10.992 12.955 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.541 13.294 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.527 14.578 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.096 13.914 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.078 12.597 3.967 1.00 0.00 H new ATOM 93 N LYS A 7 11.707 11.944 0.194 1.00 0.00 N ATOM 94 CA LYS A 7 11.148 11.746 -1.138 1.00 0.00 C ATOM 95 C LYS A 7 10.045 10.691 -1.118 1.00 0.00 C ATOM 96 O LYS A 7 9.031 10.826 -1.798 1.00 0.00 O ATOM 97 CB LYS A 7 12.244 11.366 -2.146 1.00 0.00 C ATOM 98 CG LYS A 7 13.154 12.523 -2.561 1.00 0.00 C ATOM 99 CD LYS A 7 13.937 13.119 -1.400 1.00 0.00 C ATOM 100 CE LYS A 7 14.774 14.303 -1.861 1.00 0.00 C ATOM 101 NZ LYS A 7 15.537 14.925 -0.748 1.00 0.00 N ATOM 0 H LYS A 7 12.644 11.560 0.315 1.00 0.00 H new ATOM 0 HA LYS A 7 10.708 12.691 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.857 10.575 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.772 10.954 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.853 12.172 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.550 13.304 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.249 13.438 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.585 12.358 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.468 13.975 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.123 15.051 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.091 15.726 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.876 15.264 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.179 14.221 -0.331 1.00 0.00 H new ATOM 115 N ILE A 8 10.258 9.636 -0.345 1.00 0.00 N ATOM 116 CA ILE A 8 9.295 8.546 -0.244 1.00 0.00 C ATOM 117 C ILE A 8 7.929 9.032 0.231 1.00 0.00 C ATOM 118 O ILE A 8 6.918 8.720 -0.389 1.00 0.00 O ATOM 119 CB ILE A 8 9.804 7.432 0.688 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.000 6.722 0.048 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.693 6.449 1.011 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.622 5.660 0.925 1.00 0.00 C ATOM 0 H ILE A 8 11.094 9.510 0.225 1.00 0.00 H new ATOM 0 HA ILE A 8 9.181 8.140 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 8 10.130 7.880 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.680 6.265 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.759 7.463 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.076 5.671 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.875 6.974 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.329 5.996 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.462 5.203 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.974 6.114 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.879 4.896 1.155 1.00 0.00 H new ATOM 134 N GLN A 9 7.897 9.835 1.289 1.00 0.00 N ATOM 135 CA GLN A 9 6.637 10.389 1.763 1.00 0.00 C ATOM 136 C GLN A 9 5.975 11.255 0.702 1.00 0.00 C ATOM 137 O GLN A 9 4.760 11.222 0.551 1.00 0.00 O ATOM 138 CB GLN A 9 6.791 11.163 3.075 1.00 0.00 C ATOM 139 CG GLN A 9 7.040 10.267 4.275 1.00 0.00 C ATOM 140 CD GLN A 9 7.026 11.024 5.590 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.064 10.852 6.387 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.067 11.728 5.901 1.00 0.00 N flip ATOM 0 H GLN A 9 8.718 10.113 1.827 1.00 0.00 H new ATOM 0 HA GLN A 9 5.987 9.538 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.617 11.867 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.890 11.751 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.280 9.486 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.003 9.770 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.283 11.836 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.055 12.204 6.803 1.00 0.00 H new ATOM 151 N ARG A 10 6.782 11.924 -0.110 1.00 0.00 N ATOM 152 CA ARG A 10 6.259 12.668 -1.250 1.00 0.00 C ATOM 153 C ARG A 10 5.524 11.734 -2.206 1.00 0.00 C ATOM 154 O ARG A 10 4.473 12.078 -2.744 1.00 0.00 O ATOM 155 CB ARG A 10 7.381 13.405 -1.975 1.00 0.00 C ATOM 156 CG ARG A 10 7.938 14.525 -1.136 1.00 0.00 C ATOM 157 CD ARG A 10 6.889 15.601 -0.918 1.00 0.00 C ATOM 158 NE ARG A 10 7.160 16.364 0.283 1.00 0.00 N ATOM 159 CZ ARG A 10 6.490 17.452 0.649 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.574 17.971 -0.160 1.00 0.00 N ATOM 161 NH2 ARG A 10 6.754 18.028 1.817 1.00 0.00 N ATOM 0 H ARG A 10 7.795 11.968 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 10 5.550 13.408 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.178 12.704 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.005 13.806 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.272 14.135 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.811 14.955 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.866 16.269 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.903 15.142 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 10 7.916 16.045 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.384 17.535 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.060 18.806 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.469 17.635 2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.242 18.863 2.101 1.00 0.00 H new ATOM 175 N GLN A 11 6.060 10.527 -2.361 1.00 0.00 N ATOM 176 CA GLN A 11 5.435 9.503 -3.192 1.00 0.00 C ATOM 177 C GLN A 11 4.193 8.929 -2.525 1.00 0.00 C ATOM 178 O GLN A 11 3.163 8.734 -3.167 1.00 0.00 O ATOM 179 CB GLN A 11 6.421 8.381 -3.515 1.00 0.00 C ATOM 180 CG GLN A 11 5.770 7.199 -4.216 1.00 0.00 C ATOM 181 CD GLN A 11 6.763 6.149 -4.659 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.518 5.603 -3.855 1.00 0.00 O ATOM 183 NE2 GLN A 11 6.751 5.848 -5.945 1.00 0.00 N ATOM 0 H GLN A 11 6.931 10.233 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 11 5.134 9.982 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.218 8.776 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.886 8.037 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.043 6.742 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.219 7.559 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.107 6.327 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.385 5.137 -6.308 1.00 0.00 H new ATOM 192 N ILE A 12 4.296 8.618 -1.248 1.00 0.00 N ATOM 193 CA ILE A 12 3.175 8.030 -0.537 1.00 0.00 C ATOM 194 C ILE A 12 2.015 9.009 -0.490 1.00 0.00 C ATOM 195 O ILE A 12 0.860 8.640 -0.699 1.00 0.00 O ATOM 196 CB ILE A 12 3.546 7.610 0.899 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.748 6.665 0.894 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.362 6.949 1.579 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.055 6.084 2.252 1.00 0.00 C ATOM 0 H ILE A 12 5.135 8.760 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 12 2.887 7.132 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 12 3.816 8.506 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.560 5.852 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.623 7.203 0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.640 6.658 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.528 7.649 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.066 6.064 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.918 5.423 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.274 6.891 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.194 5.518 2.609 1.00 0.00 H new ATOM 211 N ALA A 13 2.343 10.255 -0.223 1.00 0.00 N ATOM 212 CA ALA A 13 1.353 11.313 -0.152 1.00 0.00 C ATOM 213 C ALA A 13 0.664 11.536 -1.497 1.00 0.00 C ATOM 214 O ALA A 13 -0.532 11.828 -1.538 1.00 0.00 O ATOM 215 CB ALA A 13 1.987 12.605 0.332 1.00 0.00 C ATOM 0 H ALA A 13 3.299 10.564 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 13 0.593 11.000 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.229 13.387 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.413 12.452 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.775 12.905 -0.359 1.00 0.00 H new ATOM 221 N GLU A 14 1.435 11.501 -2.585 1.00 0.00 N ATOM 222 CA GLU A 14 0.883 11.809 -3.903 1.00 0.00 C ATOM 223 C GLU A 14 -0.158 10.774 -4.323 1.00 0.00 C ATOM 224 O GLU A 14 -1.168 11.119 -4.945 1.00 0.00 O ATOM 225 CB GLU A 14 1.972 11.928 -4.979 1.00 0.00 C ATOM 226 CG GLU A 14 2.687 10.630 -5.281 1.00 0.00 C ATOM 227 CD GLU A 14 3.758 10.766 -6.345 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.975 11.895 -6.847 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.389 9.746 -6.691 1.00 0.00 O ATOM 0 H GLU A 14 2.428 11.266 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 14 0.398 12.781 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.521 12.304 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.705 12.668 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.141 10.252 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.957 9.888 -5.604 1.00 0.00 H new ATOM 236 N ASN A 15 0.091 9.505 -4.008 1.00 0.00 N ATOM 237 CA ASN A 15 -0.832 8.446 -4.386 1.00 0.00 C ATOM 238 C ASN A 15 -2.027 8.402 -3.442 1.00 0.00 C ATOM 239 O ASN A 15 -1.870 8.337 -2.223 1.00 0.00 O ATOM 240 CB ASN A 15 -0.120 7.092 -4.410 1.00 0.00 C ATOM 241 CG ASN A 15 0.944 7.016 -5.491 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.645 7.136 -6.682 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.192 6.825 -5.090 1.00 0.00 N ATOM 0 H ASN A 15 0.916 9.190 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.199 8.662 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.339 6.909 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.853 6.302 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.946 6.773 -5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.399 6.730 -4.096 1.00 0.00 H new ATOM 250 N PRO A 16 -3.244 8.439 -4.005 1.00 0.00 N ATOM 251 CA PRO A 16 -4.489 8.408 -3.224 1.00 0.00 C ATOM 252 C PRO A 16 -4.663 7.106 -2.466 1.00 0.00 C ATOM 253 O PRO A 16 -5.017 7.097 -1.291 1.00 0.00 O ATOM 254 CB PRO A 16 -5.577 8.538 -4.292 1.00 0.00 C ATOM 255 CG PRO A 16 -4.933 8.099 -5.559 1.00 0.00 C ATOM 256 CD PRO A 16 -3.501 8.518 -5.450 1.00 0.00 C ATOM 0 HA PRO A 16 -4.511 9.190 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.440 7.917 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.935 9.565 -4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.017 7.020 -5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.412 8.561 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.843 7.857 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.345 9.526 -5.833 1.00 0.00 H new ATOM 264 N ILE A 17 -4.329 6.018 -3.127 1.00 0.00 N ATOM 265 CA ILE A 17 -4.359 4.707 -2.520 1.00 0.00 C ATOM 266 C ILE A 17 -3.049 4.042 -2.878 1.00 0.00 C ATOM 267 O ILE A 17 -2.652 4.080 -4.039 1.00 0.00 O ATOM 268 CB ILE A 17 -5.526 3.855 -3.070 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.861 4.613 -3.004 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.630 2.544 -2.305 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.306 4.993 -1.606 1.00 0.00 C ATOM 0 H ILE A 17 -4.029 6.019 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.500 4.796 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.314 3.643 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.778 5.520 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.635 3.998 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.456 1.955 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.700 1.985 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.808 2.752 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.257 5.524 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.426 4.092 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.556 5.637 -1.148 1.00 0.00 H new ATOM 283 N LEU A 18 -2.297 3.612 -1.889 1.00 0.00 N ATOM 284 CA LEU A 18 -0.950 3.158 -2.152 1.00 0.00 C ATOM 285 C LEU A 18 -0.661 1.848 -1.451 1.00 0.00 C ATOM 286 O LEU A 18 -1.160 1.585 -0.369 1.00 0.00 O ATOM 287 CB LEU A 18 0.060 4.219 -1.728 1.00 0.00 C ATOM 288 CG LEU A 18 1.505 3.927 -2.118 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.629 3.750 -3.623 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.399 5.053 -1.649 1.00 0.00 C ATOM 0 H LEU A 18 -2.588 3.567 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.859 2.990 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.233 5.173 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.008 4.336 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 18 1.816 2.999 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.668 3.542 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.002 2.918 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.306 4.662 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.430 4.840 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.082 5.987 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.330 5.145 -0.565 1.00 0.00 H new ATOM 302 N LEU A 19 0.097 1.012 -2.115 1.00 0.00 N ATOM 303 CA LEU A 19 0.413 -0.308 -1.621 1.00 0.00 C ATOM 304 C LEU A 19 1.885 -0.612 -1.832 1.00 0.00 C ATOM 305 O LEU A 19 2.338 -0.757 -2.955 1.00 0.00 O ATOM 306 CB LEU A 19 -0.460 -1.318 -2.372 1.00 0.00 C ATOM 307 CG LEU A 19 0.009 -2.769 -2.347 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.080 -3.313 -0.923 1.00 0.00 C ATOM 309 CD2 LEU A 19 -0.914 -3.619 -3.198 1.00 0.00 C ATOM 0 H LEU A 19 0.516 1.228 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 19 0.214 -0.368 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.466 -1.277 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.533 -1.000 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 19 1.017 -2.809 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.418 -4.349 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.781 -2.716 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.908 -3.264 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.576 -4.655 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.929 -3.561 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.902 -3.253 -4.225 1.00 0.00 H new ATOM 321 N TYR A 20 2.606 -0.837 -0.754 1.00 0.00 N ATOM 322 CA TYR A 20 3.986 -1.264 -0.867 1.00 0.00 C ATOM 323 C TYR A 20 4.080 -2.768 -0.751 1.00 0.00 C ATOM 324 O TYR A 20 3.696 -3.350 0.266 1.00 0.00 O ATOM 325 CB TYR A 20 4.854 -0.610 0.202 1.00 0.00 C ATOM 326 CG TYR A 20 5.290 0.803 -0.120 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.374 1.811 -0.380 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.642 1.119 -0.183 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.795 3.089 -0.689 1.00 0.00 C ATOM 330 CE2 TYR A 20 7.070 2.394 -0.490 1.00 0.00 C ATOM 331 CZ TYR A 20 6.142 3.377 -0.742 1.00 0.00 C ATOM 332 OH TYR A 20 6.558 4.654 -1.051 1.00 0.00 O ATOM 0 H TYR A 20 2.265 -0.733 0.202 1.00 0.00 H new ATOM 0 HA TYR A 20 4.353 -0.954 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.304 -0.601 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.741 -1.224 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.317 1.593 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.374 0.349 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.069 3.863 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.126 2.618 -0.532 1.00 0.00 H new ATOM 0 HH TYR A 20 6.824 4.692 -1.993 1.00 0.00 H new ATOM 342 N MET A 21 4.579 -3.397 -1.800 1.00 0.00 N ATOM 343 CA MET A 21 4.713 -4.835 -1.826 1.00 0.00 C ATOM 344 C MET A 21 5.939 -5.278 -2.619 1.00 0.00 C ATOM 345 O MET A 21 6.732 -4.458 -3.062 1.00 0.00 O ATOM 346 CB MET A 21 3.450 -5.442 -2.407 1.00 0.00 C ATOM 347 CG MET A 21 3.054 -4.937 -3.785 1.00 0.00 C ATOM 348 SD MET A 21 1.545 -5.741 -4.368 1.00 0.00 S ATOM 349 CE MET A 21 1.248 -4.878 -5.910 1.00 0.00 C ATOM 0 H MET A 21 4.899 -2.928 -2.647 1.00 0.00 H new ATOM 0 HA MET A 21 4.854 -5.187 -0.804 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.578 -6.523 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.626 -5.251 -1.719 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.904 -3.858 -3.750 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.864 -5.124 -4.490 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.726 -5.539 -6.602 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.638 -3.995 -5.721 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.200 -4.575 -6.346 1.00 0.00 H new ATOM 359 N LYS A 22 6.024 -6.565 -2.912 1.00 0.00 N ATOM 360 CA LYS A 22 7.074 -7.060 -3.780 1.00 0.00 C ATOM 361 C LYS A 22 6.510 -7.169 -5.154 1.00 0.00 C ATOM 362 O LYS A 22 5.433 -7.696 -5.314 1.00 0.00 O ATOM 363 CB LYS A 22 7.581 -8.451 -3.377 1.00 0.00 C ATOM 364 CG LYS A 22 8.723 -8.938 -4.270 1.00 0.00 C ATOM 365 CD LYS A 22 9.131 -10.376 -3.980 1.00 0.00 C ATOM 366 CE LYS A 22 9.634 -10.563 -2.559 1.00 0.00 C ATOM 367 NZ LYS A 22 10.008 -11.976 -2.292 1.00 0.00 N ATOM 0 H LYS A 22 5.384 -7.279 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 22 7.913 -6.367 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.919 -8.425 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.757 -9.163 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.422 -8.855 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.586 -8.287 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.278 -11.033 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.910 -10.677 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.498 -9.920 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.862 -10.251 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.347 -12.066 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.177 -12.587 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.762 -12.265 -2.947 1.00 0.00 H new ATOM 381 N GLY A 23 7.258 -6.778 -6.143 1.00 0.00 N ATOM 382 CA GLY A 23 6.780 -6.987 -7.483 1.00 0.00 C ATOM 383 C GLY A 23 7.862 -7.412 -8.431 1.00 0.00 C ATOM 384 O GLY A 23 8.988 -6.913 -8.393 1.00 0.00 O ATOM 0 H GLY A 23 8.170 -6.328 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.997 -7.746 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.325 -6.066 -7.848 1.00 0.00 H new ATOM 388 N SER A 24 7.515 -8.404 -9.213 1.00 0.00 N ATOM 389 CA SER A 24 8.412 -9.044 -10.146 1.00 0.00 C ATOM 390 C SER A 24 7.825 -8.913 -11.548 1.00 0.00 C ATOM 391 O SER A 24 6.611 -8.846 -11.687 1.00 0.00 O ATOM 392 CB SER A 24 8.568 -10.520 -9.752 1.00 0.00 C ATOM 393 OG SER A 24 9.467 -11.200 -10.602 1.00 0.00 O ATOM 0 H SER A 24 6.575 -8.800 -9.219 1.00 0.00 H new ATOM 0 HA SER A 24 9.395 -8.574 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.921 -10.586 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.595 -11.010 -9.787 1.00 0.00 H new ATOM 0 HG SER A 24 10.341 -11.271 -10.164 1.00 0.00 H new ATOM 399 N PRO A 25 8.653 -8.866 -12.606 1.00 0.00 N ATOM 400 CA PRO A 25 8.153 -8.750 -13.981 1.00 0.00 C ATOM 401 C PRO A 25 7.082 -9.800 -14.283 1.00 0.00 C ATOM 402 O PRO A 25 6.076 -9.513 -14.931 1.00 0.00 O ATOM 403 CB PRO A 25 9.397 -8.990 -14.835 1.00 0.00 C ATOM 404 CG PRO A 25 10.535 -8.584 -13.964 1.00 0.00 C ATOM 405 CD PRO A 25 10.125 -8.920 -12.557 1.00 0.00 C ATOM 0 HA PRO A 25 7.678 -7.787 -14.169 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.478 -10.036 -15.132 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.369 -8.400 -15.751 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.446 -9.114 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.742 -7.519 -14.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.481 -9.906 -12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.529 -8.206 -11.840 1.00 0.00 H new ATOM 413 N LYS A 26 7.283 -11.004 -13.752 1.00 0.00 N ATOM 414 CA LYS A 26 6.314 -12.086 -13.896 1.00 0.00 C ATOM 415 C LYS A 26 5.044 -11.825 -13.077 1.00 0.00 C ATOM 416 O LYS A 26 3.948 -12.213 -13.481 1.00 0.00 O ATOM 417 CB LYS A 26 6.931 -13.435 -13.502 1.00 0.00 C ATOM 418 CG LYS A 26 7.474 -13.499 -12.082 1.00 0.00 C ATOM 419 CD LYS A 26 7.974 -14.898 -11.754 1.00 0.00 C ATOM 420 CE LYS A 26 8.546 -14.991 -10.347 1.00 0.00 C ATOM 421 NZ LYS A 26 9.776 -14.172 -10.183 1.00 0.00 N ATOM 0 H LYS A 26 8.113 -11.255 -13.215 1.00 0.00 H new ATOM 0 HA LYS A 26 6.033 -12.125 -14.948 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.177 -14.212 -13.623 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.740 -13.665 -14.196 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.287 -12.782 -11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.694 -13.213 -11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.154 -15.608 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.739 -15.186 -12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.795 -14.662 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.772 -16.032 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.186 -14.346 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.467 -14.433 -10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.537 -13.164 -10.276 1.00 0.00 H new ATOM 435 N LEU A 27 5.204 -11.202 -11.913 1.00 0.00 N ATOM 436 CA LEU A 27 4.082 -10.934 -11.012 1.00 0.00 C ATOM 437 C LEU A 27 4.439 -9.807 -10.047 1.00 0.00 C ATOM 438 O LEU A 27 5.352 -9.953 -9.232 1.00 0.00 O ATOM 439 CB LEU A 27 3.774 -12.197 -10.205 1.00 0.00 C ATOM 440 CG LEU A 27 2.599 -12.095 -9.229 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.299 -11.856 -9.977 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.501 -13.356 -8.387 1.00 0.00 C ATOM 0 H LEU A 27 6.105 -10.871 -11.568 1.00 0.00 H new ATOM 0 HA LEU A 27 3.214 -10.641 -11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.573 -13.011 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.666 -12.472 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 27 2.775 -11.246 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.477 -11.787 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.370 -10.926 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.116 -12.683 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.661 -13.269 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.349 -14.217 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.423 -13.488 -7.821 1.00 0.00 H new ATOM 454 N PRO A 28 3.749 -8.655 -10.140 1.00 0.00 N ATOM 455 CA PRO A 28 4.028 -7.482 -9.298 1.00 0.00 C ATOM 456 C PRO A 28 3.568 -7.637 -7.848 1.00 0.00 C ATOM 457 O PRO A 28 3.259 -6.657 -7.180 1.00 0.00 O ATOM 458 CB PRO A 28 3.233 -6.373 -9.975 1.00 0.00 C ATOM 459 CG PRO A 28 2.134 -7.056 -10.699 1.00 0.00 C ATOM 460 CD PRO A 28 2.674 -8.389 -11.110 1.00 0.00 C ATOM 0 HA PRO A 28 5.100 -7.301 -9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.841 -5.668 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.860 -5.804 -10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.258 -7.170 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.821 -6.477 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.904 -9.160 -11.073 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.055 -8.367 -12.131 1.00 0.00 H new ATOM 468 N SER A 29 3.621 -8.853 -7.355 1.00 0.00 N ATOM 469 CA SER A 29 3.306 -9.156 -5.970 1.00 0.00 C ATOM 470 C SER A 29 3.779 -10.548 -5.568 1.00 0.00 C ATOM 471 O SER A 29 3.041 -11.319 -4.962 1.00 0.00 O ATOM 472 CB SER A 29 1.829 -8.967 -5.704 1.00 0.00 C ATOM 473 OG SER A 29 1.032 -9.576 -6.709 1.00 0.00 O ATOM 0 H SER A 29 3.886 -9.670 -7.906 1.00 0.00 H new ATOM 0 HA SER A 29 3.853 -8.450 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.577 -9.392 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.601 -7.902 -5.655 1.00 0.00 H new ATOM 0 HG SER A 29 1.221 -10.537 -6.739 1.00 0.00 H new ATOM 479 N CYS A 30 5.017 -10.855 -5.913 1.00 0.00 N ATOM 480 CA CYS A 30 5.626 -12.150 -5.606 1.00 0.00 C ATOM 481 C CYS A 30 5.997 -12.271 -4.117 1.00 0.00 C ATOM 482 O CYS A 30 7.134 -12.580 -3.770 1.00 0.00 O ATOM 483 CB CYS A 30 6.870 -12.337 -6.466 1.00 0.00 C ATOM 484 SG CYS A 30 7.649 -13.965 -6.329 1.00 0.00 S ATOM 0 H CYS A 30 5.634 -10.217 -6.415 1.00 0.00 H new ATOM 0 HA CYS A 30 4.896 -12.929 -5.826 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.603 -12.164 -7.509 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.601 -11.576 -6.193 1.00 0.00 H new ATOM 0 HG CYS A 30 8.025 -14.164 -5.101 1.00 0.00 H new ATOM 490 N GLY A 31 5.042 -12.023 -3.247 1.00 0.00 N ATOM 491 CA GLY A 31 5.299 -12.105 -1.816 1.00 0.00 C ATOM 492 C GLY A 31 4.034 -12.357 -1.020 1.00 0.00 C ATOM 493 O GLY A 31 3.147 -13.077 -1.477 1.00 0.00 O ATOM 0 H GLY A 31 4.087 -11.765 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.013 -12.905 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.760 -11.177 -1.478 1.00 0.00 H new ATOM 497 N PHE A 32 3.914 -11.720 0.139 1.00 0.00 N ATOM 498 CA PHE A 32 2.704 -11.848 0.946 1.00 0.00 C ATOM 499 C PHE A 32 1.603 -11.017 0.350 1.00 0.00 C ATOM 500 O PHE A 32 0.444 -11.404 0.351 1.00 0.00 O ATOM 501 CB PHE A 32 2.912 -11.407 2.391 1.00 0.00 C ATOM 502 CG PHE A 32 3.819 -12.293 3.176 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.179 -12.320 2.933 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.291 -13.115 4.148 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.003 -13.156 3.660 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.107 -13.954 4.879 1.00 0.00 C ATOM 507 CZ PHE A 32 5.465 -13.973 4.637 1.00 0.00 C ATOM 0 H PHE A 32 4.631 -11.115 0.539 1.00 0.00 H new ATOM 0 HA PHE A 32 2.440 -12.905 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.317 -10.395 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.943 -11.364 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.600 -11.683 2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.228 -13.102 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.065 -13.172 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.684 -14.594 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.107 -14.625 5.210 1.00 0.00 H new ATOM 517 N SER A 33 1.988 -9.882 -0.185 1.00 0.00 N ATOM 518 CA SER A 33 1.063 -8.976 -0.826 1.00 0.00 C ATOM 519 C SER A 33 0.222 -9.681 -1.879 1.00 0.00 C ATOM 520 O SER A 33 -0.867 -9.230 -2.192 1.00 0.00 O ATOM 521 CB SER A 33 1.839 -7.838 -1.443 1.00 0.00 C ATOM 522 OG SER A 33 2.847 -8.332 -2.313 1.00 0.00 O ATOM 0 H SER A 33 2.956 -9.559 -0.188 1.00 0.00 H new ATOM 0 HA SER A 33 0.375 -8.591 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.162 -7.187 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.293 -7.233 -0.658 1.00 0.00 H new ATOM 0 HG SER A 33 3.693 -8.408 -1.824 1.00 0.00 H new ATOM 528 N ALA A 34 0.727 -10.802 -2.390 1.00 0.00 N ATOM 529 CA ALA A 34 0.011 -11.597 -3.375 1.00 0.00 C ATOM 530 C ALA A 34 -1.438 -11.838 -2.959 1.00 0.00 C ATOM 531 O ALA A 34 -2.341 -11.700 -3.773 1.00 0.00 O ATOM 532 CB ALA A 34 0.718 -12.928 -3.592 1.00 0.00 C ATOM 0 H ALA A 34 1.639 -11.180 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 34 0.002 -11.035 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.172 -13.514 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.732 -12.747 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.757 -13.477 -2.651 1.00 0.00 H new ATOM 538 N GLN A 35 -1.674 -12.184 -1.693 1.00 0.00 N ATOM 539 CA GLN A 35 -3.043 -12.407 -1.251 1.00 0.00 C ATOM 540 C GLN A 35 -3.738 -11.065 -0.940 1.00 0.00 C ATOM 541 O GLN A 35 -4.946 -10.919 -1.128 1.00 0.00 O ATOM 542 CB GLN A 35 -3.132 -13.401 -0.060 1.00 0.00 C ATOM 543 CG GLN A 35 -3.185 -12.791 1.333 1.00 0.00 C ATOM 544 CD GLN A 35 -1.863 -12.269 1.833 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.789 -10.969 2.026 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.916 -13.028 2.030 1.00 0.00 N flip ATOM 0 H GLN A 35 -0.958 -12.312 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.579 -12.881 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.021 -14.017 -0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.271 -14.068 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.907 -11.975 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.553 -13.542 2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.022 -14.029 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.024 -12.657 2.357 1.00 0.00 H new ATOM 555 N ALA A 36 -2.972 -10.111 -0.408 1.00 0.00 N ATOM 556 CA ALA A 36 -3.507 -8.808 0.008 1.00 0.00 C ATOM 557 C ALA A 36 -3.939 -7.947 -1.177 1.00 0.00 C ATOM 558 O ALA A 36 -4.993 -7.314 -1.141 1.00 0.00 O ATOM 559 CB ALA A 36 -2.487 -8.064 0.858 1.00 0.00 C ATOM 0 H ALA A 36 -1.969 -10.216 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.399 -9.004 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.898 -7.100 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.255 -8.652 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.577 -7.906 0.279 1.00 0.00 H new ATOM 565 N VAL A 37 -3.115 -7.926 -2.216 1.00 0.00 N ATOM 566 CA VAL A 37 -3.389 -7.146 -3.419 1.00 0.00 C ATOM 567 C VAL A 37 -4.762 -7.509 -3.979 1.00 0.00 C ATOM 568 O VAL A 37 -5.506 -6.645 -4.448 1.00 0.00 O ATOM 569 CB VAL A 37 -2.289 -7.373 -4.494 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.228 -8.825 -4.939 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.489 -6.465 -5.697 1.00 0.00 C ATOM 0 H VAL A 37 -2.239 -8.448 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.384 -6.090 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.337 -7.120 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.447 -8.943 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.005 -9.459 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.188 -9.116 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.702 -6.651 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.460 -6.669 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.449 -5.424 -5.378 1.00 0.00 H new ATOM 581 N GLN A 38 -5.097 -8.792 -3.889 1.00 0.00 N ATOM 582 CA GLN A 38 -6.381 -9.286 -4.353 1.00 0.00 C ATOM 583 C GLN A 38 -7.496 -8.701 -3.500 1.00 0.00 C ATOM 584 O GLN A 38 -8.506 -8.242 -4.018 1.00 0.00 O ATOM 585 CB GLN A 38 -6.434 -10.814 -4.273 1.00 0.00 C ATOM 586 CG GLN A 38 -5.150 -11.514 -4.702 1.00 0.00 C ATOM 587 CD GLN A 38 -4.676 -11.184 -6.116 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.461 -10.441 -6.881 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -3.614 -11.642 -6.533 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.489 -9.510 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.511 -8.982 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.666 -11.104 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.253 -11.170 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.359 -11.252 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.299 -12.591 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.029 -12.211 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.318 -11.453 -7.491 1.00 0.00 H new ATOM 598 N ALA A 39 -7.292 -8.719 -2.187 1.00 0.00 N ATOM 599 CA ALA A 39 -8.270 -8.189 -1.244 1.00 0.00 C ATOM 600 C ALA A 39 -8.580 -6.725 -1.525 1.00 0.00 C ATOM 601 O ALA A 39 -9.730 -6.305 -1.438 1.00 0.00 O ATOM 602 CB ALA A 39 -7.767 -8.341 0.183 1.00 0.00 C ATOM 0 H ALA A 39 -6.452 -9.098 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.189 -8.763 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.508 -7.941 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.601 -9.396 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.831 -7.795 0.299 1.00 0.00 H new ATOM 608 N LEU A 40 -7.540 -5.938 -1.769 1.00 0.00 N ATOM 609 CA LEU A 40 -7.697 -4.499 -1.949 1.00 0.00 C ATOM 610 C LEU A 40 -8.567 -4.210 -3.158 1.00 0.00 C ATOM 611 O LEU A 40 -9.596 -3.543 -3.056 1.00 0.00 O ATOM 612 CB LEU A 40 -6.336 -3.862 -2.187 1.00 0.00 C ATOM 613 CG LEU A 40 -6.161 -2.417 -1.686 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.783 -1.891 -2.049 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.239 -1.490 -2.228 1.00 0.00 C ATOM 0 H LEU A 40 -6.579 -6.271 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.161 -4.091 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.579 -4.484 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.133 -3.880 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.261 -2.437 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.677 -0.868 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.021 -2.520 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.661 -1.907 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.076 -0.481 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.196 -1.479 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.219 -1.844 -1.907 1.00 0.00 H new ATOM 627 N ALA A 41 -8.134 -4.726 -4.301 1.00 0.00 N ATOM 628 CA ALA A 41 -8.846 -4.541 -5.552 1.00 0.00 C ATOM 629 C ALA A 41 -10.249 -5.105 -5.442 1.00 0.00 C ATOM 630 O ALA A 41 -11.188 -4.604 -6.066 1.00 0.00 O ATOM 631 CB ALA A 41 -8.086 -5.202 -6.694 1.00 0.00 C ATOM 0 H ALA A 41 -7.283 -5.282 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.920 -3.474 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.631 -5.056 -7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.095 -4.755 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.987 -6.269 -6.495 1.00 0.00 H new ATOM 637 N ALA A 42 -10.369 -6.172 -4.670 1.00 0.00 N ATOM 638 CA ALA A 42 -11.651 -6.843 -4.500 1.00 0.00 C ATOM 639 C ALA A 42 -12.614 -6.010 -3.666 1.00 0.00 C ATOM 640 O ALA A 42 -13.781 -5.859 -4.025 1.00 0.00 O ATOM 641 CB ALA A 42 -11.473 -8.219 -3.872 1.00 0.00 C ATOM 0 H ALA A 42 -9.598 -6.593 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.080 -6.966 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.447 -8.695 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.842 -8.833 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.003 -8.115 -2.894 1.00 0.00 H new ATOM 647 N CYS A 43 -12.151 -5.531 -2.519 1.00 0.00 N ATOM 648 CA CYS A 43 -13.022 -4.794 -1.619 1.00 0.00 C ATOM 649 C CYS A 43 -13.264 -3.373 -2.120 1.00 0.00 C ATOM 650 O CYS A 43 -14.402 -2.913 -2.177 1.00 0.00 O ATOM 651 CB CYS A 43 -12.451 -4.779 -0.203 1.00 0.00 C ATOM 652 SG CYS A 43 -10.814 -4.032 -0.052 1.00 0.00 S ATOM 0 H CYS A 43 -11.190 -5.638 -2.194 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.984 -5.306 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.142 -4.240 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.402 -5.804 0.164 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.912 -4.880 -0.448 1.00 0.00 H new ATOM 658 N GLY A 44 -12.185 -2.680 -2.451 1.00 0.00 N ATOM 659 CA GLY A 44 -12.287 -1.310 -2.912 1.00 0.00 C ATOM 660 C GLY A 44 -12.189 -1.182 -4.416 1.00 0.00 C ATOM 661 O GLY A 44 -12.891 -1.868 -5.161 1.00 0.00 O ATOM 0 H GLY A 44 -11.233 -3.045 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.236 -0.890 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.497 -0.718 -2.451 1.00 0.00 H new ATOM 665 N GLU A 45 -11.343 -0.258 -4.847 1.00 0.00 N ATOM 666 CA GLU A 45 -11.153 0.052 -6.257 1.00 0.00 C ATOM 667 C GLU A 45 -9.684 0.305 -6.568 1.00 0.00 C ATOM 668 O GLU A 45 -8.802 -0.313 -5.964 1.00 0.00 O ATOM 669 CB GLU A 45 -12.008 1.253 -6.670 1.00 0.00 C ATOM 670 CG GLU A 45 -13.475 0.918 -6.859 1.00 0.00 C ATOM 671 CD GLU A 45 -13.708 0.010 -8.051 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.153 -1.106 -8.084 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.431 0.419 -8.980 1.00 0.00 O ATOM 0 H GLU A 45 -10.764 0.303 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.476 -0.813 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.916 2.031 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.615 1.665 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.855 0.436 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.042 1.840 -6.990 1.00 0.00 H new ATOM 680 N ARG A 46 -9.436 1.111 -7.595 1.00 0.00 N ATOM 681 CA ARG A 46 -8.088 1.343 -8.094 1.00 0.00 C ATOM 682 C ARG A 46 -7.151 1.839 -7.014 1.00 0.00 C ATOM 683 O ARG A 46 -7.557 2.488 -6.050 1.00 0.00 O ATOM 684 CB ARG A 46 -8.097 2.339 -9.246 1.00 0.00 C ATOM 685 CG ARG A 46 -8.891 1.883 -10.454 1.00 0.00 C ATOM 686 CD ARG A 46 -8.362 0.570 -11.016 1.00 0.00 C ATOM 687 NE ARG A 46 -6.935 0.624 -11.352 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.389 1.418 -12.280 1.00 0.00 C ATOM 689 NH1 ARG A 46 -7.140 2.222 -13.025 1.00 0.00 N ATOM 690 NH2 ARG A 46 -5.078 1.395 -12.464 1.00 0.00 N ATOM 0 H ARG A 46 -10.161 1.619 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.721 0.379 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.507 3.284 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.069 2.533 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.938 1.764 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.851 2.651 -11.226 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.528 -0.224 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.930 0.308 -11.909 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.308 0.006 -10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.151 2.241 -12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.705 2.820 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.495 0.776 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.651 1.996 -13.169 1.00 0.00 H new ATOM 704 N PHE A 47 -5.898 1.456 -7.160 1.00 0.00 N ATOM 705 CA PHE A 47 -4.892 1.771 -6.177 1.00 0.00 C ATOM 706 C PHE A 47 -3.512 1.745 -6.809 1.00 0.00 C ATOM 707 O PHE A 47 -3.276 1.033 -7.791 1.00 0.00 O ATOM 708 CB PHE A 47 -4.964 0.780 -5.015 1.00 0.00 C ATOM 709 CG PHE A 47 -4.559 -0.634 -5.343 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.217 -0.989 -5.439 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.523 -1.612 -5.530 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.851 -2.294 -5.706 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.160 -2.917 -5.803 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.823 -3.257 -5.887 1.00 0.00 C ATOM 0 H PHE A 47 -5.555 0.922 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.078 2.774 -5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.327 1.144 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.985 0.768 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.454 -0.237 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.569 -1.351 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.806 -2.560 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.920 -3.670 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.538 -4.278 -6.095 1.00 0.00 H new ATOM 724 N ALA A 48 -2.599 2.474 -6.205 1.00 0.00 N ATOM 725 CA ALA A 48 -1.221 2.486 -6.642 1.00 0.00 C ATOM 726 C ALA A 48 -0.400 1.561 -5.767 1.00 0.00 C ATOM 727 O ALA A 48 -0.836 1.183 -4.684 1.00 0.00 O ATOM 728 CB ALA A 48 -0.653 3.892 -6.627 1.00 0.00 C ATOM 0 H ALA A 48 -2.790 3.072 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.179 2.129 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.384 3.869 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.235 4.527 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.700 4.293 -5.614 1.00 0.00 H new ATOM 734 N TYR A 49 0.743 1.130 -6.260 1.00 0.00 N ATOM 735 CA TYR A 49 1.552 0.172 -5.535 1.00 0.00 C ATOM 736 C TYR A 49 3.030 0.503 -5.754 1.00 0.00 C ATOM 737 O TYR A 49 3.401 1.062 -6.789 1.00 0.00 O ATOM 738 CB TYR A 49 1.247 -1.256 -6.018 1.00 0.00 C ATOM 739 CG TYR A 49 2.060 -1.689 -7.211 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.343 -2.177 -7.029 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.553 -1.630 -8.498 1.00 0.00 C ATOM 742 CE1 TYR A 49 4.110 -2.583 -8.094 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.315 -2.038 -9.577 1.00 0.00 C ATOM 744 CZ TYR A 49 3.595 -2.510 -9.370 1.00 0.00 C ATOM 745 OH TYR A 49 4.361 -2.911 -10.439 1.00 0.00 O ATOM 0 H TYR A 49 1.131 1.426 -7.155 1.00 0.00 H new ATOM 0 HA TYR A 49 1.320 0.228 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.426 -1.951 -5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.188 -1.325 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.749 -2.240 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.551 -1.261 -8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.110 -2.957 -7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.910 -1.988 -10.577 1.00 0.00 H new ATOM 0 HH TYR A 49 3.851 -2.797 -11.268 1.00 0.00 H new ATOM 755 N VAL A 50 3.873 0.114 -4.814 1.00 0.00 N ATOM 756 CA VAL A 50 5.307 0.311 -4.937 1.00 0.00 C ATOM 757 C VAL A 50 6.029 -0.971 -4.565 1.00 0.00 C ATOM 758 O VAL A 50 5.808 -1.522 -3.487 1.00 0.00 O ATOM 759 CB VAL A 50 5.811 1.445 -4.014 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.298 1.689 -4.213 1.00 0.00 C ATOM 761 CG2 VAL A 50 5.022 2.722 -4.243 1.00 0.00 C ATOM 0 H VAL A 50 3.586 -0.344 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 50 5.514 0.587 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 50 5.655 1.130 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.627 2.491 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.850 0.778 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.485 1.973 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.396 3.504 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.135 3.039 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.968 2.541 -4.032 1.00 0.00 H new ATOM 771 N ASP A 51 6.910 -1.427 -5.442 1.00 0.00 N ATOM 772 CA ASP A 51 7.685 -2.622 -5.171 1.00 0.00 C ATOM 773 C ASP A 51 8.876 -2.297 -4.280 1.00 0.00 C ATOM 774 O ASP A 51 9.555 -1.286 -4.463 1.00 0.00 O ATOM 775 CB ASP A 51 8.137 -3.309 -6.462 1.00 0.00 C ATOM 776 CG ASP A 51 8.995 -2.429 -7.344 1.00 0.00 C ATOM 777 OD1 ASP A 51 8.516 -1.361 -7.774 1.00 0.00 O ATOM 778 OD2 ASP A 51 10.148 -2.812 -7.624 1.00 0.00 O ATOM 0 H ASP A 51 7.104 -0.988 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 51 7.039 -3.322 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.695 -4.210 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.258 -3.626 -7.023 1.00 0.00 H new ATOM 783 N ILE A 52 9.035 -3.099 -3.240 1.00 0.00 N ATOM 784 CA ILE A 52 10.034 -2.857 -2.207 1.00 0.00 C ATOM 785 C ILE A 52 10.595 -4.148 -1.634 1.00 0.00 C ATOM 786 O ILE A 52 11.793 -4.242 -1.408 1.00 0.00 O ATOM 787 CB ILE A 52 9.505 -1.952 -1.077 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.993 -2.081 -0.934 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.906 -0.515 -1.309 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.539 -3.392 -0.356 1.00 0.00 C ATOM 0 H ILE A 52 8.475 -3.938 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 52 10.848 -2.328 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 52 9.957 -2.282 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.629 -1.272 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.534 -1.950 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.522 0.105 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.993 -0.441 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.493 -0.171 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.451 -3.402 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.870 -4.207 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.966 -3.518 0.639 1.00 0.00 H new ATOM 802 N LEU A 53 9.787 -5.205 -1.556 1.00 0.00 N ATOM 803 CA LEU A 53 10.348 -6.507 -1.194 1.00 0.00 C ATOM 804 C LEU A 53 11.268 -6.996 -2.312 1.00 0.00 C ATOM 805 O LEU A 53 12.023 -7.945 -2.137 1.00 0.00 O ATOM 806 CB LEU A 53 9.291 -7.578 -0.878 1.00 0.00 C ATOM 807 CG LEU A 53 8.392 -7.336 0.340 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.076 -6.419 1.330 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.024 -6.809 -0.061 1.00 0.00 C ATOM 0 H LEU A 53 8.782 -5.191 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 53 10.908 -6.356 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.651 -7.690 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.805 -8.528 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 53 8.225 -8.296 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.423 -6.258 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.008 -6.874 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.290 -5.463 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.419 -6.651 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.139 -5.864 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.531 -7.533 -0.710 1.00 0.00 H new ATOM 821 N GLN A 54 11.250 -6.278 -3.430 1.00 0.00 N ATOM 822 CA GLN A 54 12.144 -6.558 -4.542 1.00 0.00 C ATOM 823 C GLN A 54 13.370 -5.628 -4.490 1.00 0.00 C ATOM 824 O GLN A 54 14.504 -6.101 -4.515 1.00 0.00 O ATOM 825 CB GLN A 54 11.372 -6.453 -5.879 1.00 0.00 C ATOM 826 CG GLN A 54 12.214 -6.723 -7.125 1.00 0.00 C ATOM 827 CD GLN A 54 12.947 -5.497 -7.643 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.534 -4.327 -7.187 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.820 -5.599 -8.504 1.00 0.00 N flip ATOM 0 H GLN A 54 10.620 -5.492 -3.588 1.00 0.00 H new ATOM 0 HA GLN A 54 12.519 -7.579 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.541 -7.158 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.942 -5.455 -5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.942 -7.502 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.568 -7.109 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.110 -6.521 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.253 -4.761 -8.893 1.00 0.00 H new ATOM 838 N ASN A 55 13.148 -4.317 -4.316 1.00 0.00 N ATOM 839 CA ASN A 55 14.261 -3.368 -4.151 1.00 0.00 C ATOM 840 C ASN A 55 14.793 -3.403 -2.728 1.00 0.00 C ATOM 841 O ASN A 55 14.090 -3.031 -1.804 1.00 0.00 O ATOM 842 CB ASN A 55 13.827 -1.930 -4.467 1.00 0.00 C ATOM 843 CG ASN A 55 13.418 -1.726 -5.909 1.00 0.00 C ATOM 844 OD1 ASN A 55 14.197 -1.976 -6.830 1.00 0.00 O ATOM 845 ND2 ASN A 55 12.202 -1.248 -6.119 1.00 0.00 N ATOM 0 H ASN A 55 12.221 -3.893 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 55 15.040 -3.672 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.993 -1.660 -3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.647 -1.251 -4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.880 -1.074 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.587 -1.054 -5.329 1.00 0.00 H new ATOM 852 N PRO A 56 16.050 -3.814 -2.535 1.00 0.00 N ATOM 853 CA PRO A 56 16.676 -3.871 -1.212 1.00 0.00 C ATOM 854 C PRO A 56 16.829 -2.498 -0.552 1.00 0.00 C ATOM 855 O PRO A 56 16.636 -2.359 0.657 1.00 0.00 O ATOM 856 CB PRO A 56 18.053 -4.494 -1.486 1.00 0.00 C ATOM 857 CG PRO A 56 17.927 -5.125 -2.828 1.00 0.00 C ATOM 858 CD PRO A 56 16.976 -4.246 -3.580 1.00 0.00 C ATOM 0 HA PRO A 56 16.064 -4.441 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.838 -3.738 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.312 -5.231 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.893 -5.182 -3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.547 -6.144 -2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.485 -3.402 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.465 -4.788 -4.376 1.00 0.00 H new ATOM 866 N ASP A 57 17.278 -1.519 -1.330 1.00 0.00 N ATOM 867 CA ASP A 57 17.584 -0.184 -0.801 1.00 0.00 C ATOM 868 C ASP A 57 16.316 0.519 -0.318 1.00 0.00 C ATOM 869 O ASP A 57 16.223 0.931 0.839 1.00 0.00 O ATOM 870 CB ASP A 57 18.270 0.644 -1.899 1.00 0.00 C ATOM 871 CG ASP A 57 18.764 2.010 -1.445 1.00 0.00 C ATOM 872 OD1 ASP A 57 18.666 2.334 -0.245 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.284 2.764 -2.303 1.00 0.00 O ATOM 0 H ASP A 57 17.440 -1.620 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 57 18.251 -0.285 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.116 0.077 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.570 0.781 -2.724 1.00 0.00 H new ATOM 878 N ILE A 58 15.335 0.615 -1.204 1.00 0.00 N ATOM 879 CA ILE A 58 14.053 1.238 -0.888 1.00 0.00 C ATOM 880 C ILE A 58 13.340 0.470 0.226 1.00 0.00 C ATOM 881 O ILE A 58 12.639 1.052 1.050 1.00 0.00 O ATOM 882 CB ILE A 58 13.152 1.308 -2.141 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.906 1.970 -3.297 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.879 2.089 -1.840 1.00 0.00 C ATOM 885 CD1 ILE A 58 13.104 2.049 -4.581 1.00 0.00 C ATOM 0 H ILE A 58 15.403 0.265 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 58 14.250 2.253 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 58 12.881 0.292 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.199 2.977 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.824 1.414 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.256 2.128 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.331 1.596 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.138 3.102 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.703 2.530 -5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.834 1.044 -4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.198 2.631 -4.409 1.00 0.00 H new ATOM 897 N ARG A 59 13.518 -0.846 0.218 1.00 0.00 N ATOM 898 CA ARG A 59 12.898 -1.742 1.192 1.00 0.00 C ATOM 899 C ARG A 59 13.182 -1.312 2.626 1.00 0.00 C ATOM 900 O ARG A 59 12.392 -1.577 3.521 1.00 0.00 O ATOM 901 CB ARG A 59 13.460 -3.149 1.002 1.00 0.00 C ATOM 902 CG ARG A 59 12.795 -4.225 1.841 1.00 0.00 C ATOM 903 CD ARG A 59 13.547 -5.541 1.718 1.00 0.00 C ATOM 904 NE ARG A 59 13.759 -5.922 0.322 1.00 0.00 N ATOM 905 CZ ARG A 59 14.404 -7.025 -0.056 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.809 -7.912 0.848 1.00 0.00 N ATOM 907 NH2 ARG A 59 14.635 -7.246 -1.343 1.00 0.00 N ATOM 0 H ARG A 59 14.100 -1.326 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 59 11.821 -1.713 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.369 -3.421 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.524 -3.133 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.765 -3.913 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.762 -4.359 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.510 -5.457 2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.989 -6.327 2.228 1.00 0.00 H new ATOM 0 HE ARG A 59 13.392 -5.308 -0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.626 -7.750 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.302 -8.754 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.319 -6.572 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.129 -8.090 -1.635 1.00 0.00 H new ATOM 921 N ALA A 60 14.413 -0.893 2.863 1.00 0.00 N ATOM 922 CA ALA A 60 14.903 -0.713 4.219 1.00 0.00 C ATOM 923 C ALA A 60 14.451 0.590 4.879 1.00 0.00 C ATOM 924 O ALA A 60 14.459 0.679 6.105 1.00 0.00 O ATOM 925 CB ALA A 60 16.422 -0.808 4.224 1.00 0.00 C ATOM 0 H ALA A 60 15.092 -0.671 2.134 1.00 0.00 H new ATOM 0 HA ALA A 60 14.465 -1.512 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.792 -0.673 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.727 -1.787 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.837 -0.032 3.581 1.00 0.00 H new ATOM 931 N GLU A 61 14.411 1.668 4.105 1.00 0.00 N ATOM 932 CA GLU A 61 14.382 2.997 4.714 1.00 0.00 C ATOM 933 C GLU A 61 13.011 3.419 5.265 1.00 0.00 C ATOM 934 O GLU A 61 12.919 3.846 6.416 1.00 0.00 O ATOM 935 CB GLU A 61 14.883 4.034 3.709 1.00 0.00 C ATOM 936 CG GLU A 61 16.267 3.717 3.173 1.00 0.00 C ATOM 937 CD GLU A 61 16.816 4.801 2.272 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.169 5.129 1.260 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.915 5.323 2.575 1.00 0.00 O ATOM 0 H GLU A 61 14.398 1.655 3.085 1.00 0.00 H new ATOM 0 HA GLU A 61 15.041 2.944 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.182 4.094 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.899 5.015 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.949 3.568 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.230 2.778 2.621 1.00 0.00 H new ATOM 946 N LEU A 62 11.988 3.469 4.417 1.00 0.00 N ATOM 947 CA LEU A 62 10.706 4.053 4.835 1.00 0.00 C ATOM 948 C LEU A 62 9.830 3.153 5.734 1.00 0.00 C ATOM 949 O LEU A 62 9.003 3.683 6.471 1.00 0.00 O ATOM 950 CB LEU A 62 9.888 4.631 3.645 1.00 0.00 C ATOM 951 CG LEU A 62 9.192 3.666 2.665 1.00 0.00 C ATOM 952 CD1 LEU A 62 10.159 2.656 2.086 1.00 0.00 C ATOM 953 CD2 LEU A 62 7.979 3.022 3.310 1.00 0.00 C ATOM 0 H LEU A 62 12.013 3.123 3.458 1.00 0.00 H new ATOM 0 HA LEU A 62 11.007 4.884 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.121 5.283 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.560 5.261 3.062 1.00 0.00 H new ATOM 0 HG LEU A 62 8.829 4.248 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.628 1.995 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.950 3.177 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.596 2.067 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.505 2.345 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.290 2.462 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.269 3.795 3.603 1.00 0.00 H new ATOM 965 N PRO A 63 9.914 1.803 5.683 1.00 0.00 N ATOM 966 CA PRO A 63 9.032 0.957 6.495 1.00 0.00 C ATOM 967 C PRO A 63 9.157 1.278 7.968 1.00 0.00 C ATOM 968 O PRO A 63 8.159 1.352 8.693 1.00 0.00 O ATOM 969 CB PRO A 63 9.528 -0.463 6.223 1.00 0.00 C ATOM 970 CG PRO A 63 10.881 -0.287 5.639 1.00 0.00 C ATOM 971 CD PRO A 63 10.800 0.980 4.851 1.00 0.00 C ATOM 0 HA PRO A 63 7.982 1.103 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.566 -1.051 7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.866 -0.988 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.641 -0.220 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.149 -1.131 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.779 1.441 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.388 0.815 3.856 1.00 0.00 H new ATOM 979 N LYS A 64 10.397 1.486 8.384 1.00 0.00 N ATOM 980 CA LYS A 64 10.710 1.820 9.757 1.00 0.00 C ATOM 981 C LYS A 64 10.016 3.106 10.168 1.00 0.00 C ATOM 982 O LYS A 64 9.567 3.242 11.305 1.00 0.00 O ATOM 983 CB LYS A 64 12.219 1.929 9.937 1.00 0.00 C ATOM 984 CG LYS A 64 12.937 0.628 9.618 1.00 0.00 C ATOM 985 CD LYS A 64 14.427 0.724 9.875 1.00 0.00 C ATOM 986 CE LYS A 64 15.088 1.778 9.005 1.00 0.00 C ATOM 987 NZ LYS A 64 16.555 1.823 9.222 1.00 0.00 N ATOM 0 H LYS A 64 11.213 1.427 7.775 1.00 0.00 H new ATOM 0 HA LYS A 64 10.343 1.024 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.603 2.720 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.439 2.220 10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.516 -0.176 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.765 0.366 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.599 0.961 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.890 -0.244 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.881 1.567 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.657 2.755 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.974 2.554 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.752 2.049 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.969 0.898 8.988 1.00 0.00 H new ATOM 1001 N TYR A 65 9.882 4.027 9.220 1.00 0.00 N ATOM 1002 CA TYR A 65 9.185 5.270 9.480 1.00 0.00 C ATOM 1003 C TYR A 65 7.706 4.982 9.740 1.00 0.00 C ATOM 1004 O TYR A 65 7.099 5.615 10.605 1.00 0.00 O ATOM 1005 CB TYR A 65 9.416 6.299 8.332 1.00 0.00 C ATOM 1006 CG TYR A 65 8.238 6.623 7.406 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.042 7.133 7.904 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.345 6.459 6.024 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.995 7.451 7.068 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.297 6.789 5.178 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.124 7.280 5.712 1.00 0.00 C ATOM 1012 OH TYR A 65 5.081 7.625 4.889 1.00 0.00 O ATOM 0 H TYR A 65 10.246 3.933 8.272 1.00 0.00 H new ATOM 0 HA TYR A 65 9.592 5.735 10.378 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.752 7.233 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.235 5.931 7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.933 7.282 8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.261 6.068 5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.073 7.835 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.398 6.663 4.110 1.00 0.00 H new ATOM 0 HH TYR A 65 4.342 6.994 5.016 1.00 0.00 H new ATOM 1022 N ALA A 66 7.098 4.084 8.954 1.00 0.00 N ATOM 1023 CA ALA A 66 5.672 3.841 9.116 1.00 0.00 C ATOM 1024 C ALA A 66 5.361 2.991 10.348 1.00 0.00 C ATOM 1025 O ALA A 66 4.741 3.481 11.293 1.00 0.00 O ATOM 1026 CB ALA A 66 5.154 3.131 7.886 1.00 0.00 C ATOM 0 H ALA A 66 7.557 3.535 8.227 1.00 0.00 H new ATOM 0 HA ALA A 66 5.184 4.807 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.086 2.944 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.324 3.754 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.678 2.183 7.766 1.00 0.00 H new ATOM 1032 N ASN A 67 5.955 1.797 10.416 1.00 0.00 N ATOM 1033 CA ASN A 67 5.919 0.972 11.627 1.00 0.00 C ATOM 1034 C ASN A 67 6.775 -0.278 11.422 1.00 0.00 C ATOM 1035 O ASN A 67 7.657 -0.605 12.215 1.00 0.00 O ATOM 1036 CB ASN A 67 4.476 0.592 11.990 1.00 0.00 C ATOM 1037 CG ASN A 67 4.370 -0.219 13.271 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.891 -1.328 13.371 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.685 0.330 14.263 1.00 0.00 N ATOM 0 H ASN A 67 6.470 1.378 9.642 1.00 0.00 H new ATOM 0 HA ASN A 67 6.327 1.548 12.458 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.884 1.501 12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.041 0.021 11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.576 -0.170 15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.266 1.252 14.144 1.00 0.00 H new ATOM 1046 N TRP A 68 6.416 -0.991 10.352 1.00 0.00 N ATOM 1047 CA TRP A 68 7.013 -2.271 9.961 1.00 0.00 C ATOM 1048 C TRP A 68 8.523 -2.205 9.758 1.00 0.00 C ATOM 1049 O TRP A 68 9.043 -1.218 9.260 1.00 0.00 O ATOM 1050 CB TRP A 68 6.395 -2.760 8.648 1.00 0.00 C ATOM 1051 CG TRP A 68 5.055 -3.435 8.751 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.766 -4.674 8.266 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.832 -2.934 9.321 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.451 -4.982 8.501 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.857 -3.939 9.150 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.460 -1.751 9.958 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.548 -3.793 9.595 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.158 -1.608 10.401 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.215 -2.624 10.217 1.00 0.00 C ATOM 0 H TRP A 68 5.681 -0.685 9.715 1.00 0.00 H new ATOM 0 HA TRP A 68 6.809 -2.953 10.787 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.297 -1.906 7.978 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.092 -3.455 8.180 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.472 -5.322 7.767 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.990 -5.852 8.233 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.178 -0.958 10.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.819 -4.578 9.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.864 -0.695 10.898 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.205 -2.482 10.573 1.00 0.00 H new ATOM 1070 N PRO A 69 9.227 -3.323 10.003 1.00 0.00 N ATOM 1071 CA PRO A 69 10.651 -3.441 9.680 1.00 0.00 C ATOM 1072 C PRO A 69 10.862 -3.338 8.170 1.00 0.00 C ATOM 1073 O PRO A 69 11.767 -2.651 7.699 1.00 0.00 O ATOM 1074 CB PRO A 69 11.041 -4.836 10.191 1.00 0.00 C ATOM 1075 CG PRO A 69 9.881 -5.305 11.005 1.00 0.00 C ATOM 1076 CD PRO A 69 8.673 -4.603 10.459 1.00 0.00 C ATOM 0 HA PRO A 69 11.253 -2.652 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.238 -5.516 9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.950 -4.793 10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.768 -6.387 10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.025 -5.069 12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.215 -5.161 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.906 -4.465 11.221 1.00 0.00 H new ATOM 1084 N THR A 70 9.936 -3.947 7.430 1.00 0.00 N ATOM 1085 CA THR A 70 9.893 -3.867 5.978 1.00 0.00 C ATOM 1086 C THR A 70 8.435 -3.767 5.517 1.00 0.00 C ATOM 1087 O THR A 70 7.712 -2.877 5.956 1.00 0.00 O ATOM 1088 CB THR A 70 10.606 -5.067 5.315 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.099 -6.305 5.833 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.110 -4.990 5.536 1.00 0.00 C ATOM 0 H THR A 70 9.189 -4.515 7.830 1.00 0.00 H new ATOM 0 HA THR A 70 10.431 -2.972 5.665 1.00 0.00 H new ATOM 0 HB THR A 70 10.408 -5.026 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.560 -7.054 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.592 -5.845 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.495 -4.068 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.322 -5.002 6.605 1.00 0.00 H new ATOM 1098 N PHE A 71 8.000 -4.645 4.625 1.00 0.00 N ATOM 1099 CA PHE A 71 6.631 -4.591 4.114 1.00 0.00 C ATOM 1100 C PHE A 71 6.118 -6.035 3.971 1.00 0.00 C ATOM 1101 O PHE A 71 6.775 -6.944 4.480 1.00 0.00 O ATOM 1102 CB PHE A 71 6.615 -3.849 2.758 1.00 0.00 C ATOM 1103 CG PHE A 71 7.350 -2.531 2.748 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.733 -2.520 2.693 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.675 -1.315 2.759 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.428 -1.340 2.658 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.380 -0.120 2.722 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.752 -0.147 2.674 1.00 0.00 C ATOM 0 H PHE A 71 8.568 -5.400 4.240 1.00 0.00 H new ATOM 0 HA PHE A 71 5.979 -4.046 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.052 -4.498 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.579 -3.673 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.272 -3.456 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.596 -1.301 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.507 -1.349 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.854 0.823 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.304 0.781 2.649 1.00 0.00 H new ATOM 1118 N PRO A 72 4.991 -6.325 3.264 1.00 0.00 N ATOM 1119 CA PRO A 72 4.109 -5.344 2.598 1.00 0.00 C ATOM 1120 C PRO A 72 3.388 -4.407 3.564 1.00 0.00 C ATOM 1121 O PRO A 72 3.134 -4.757 4.720 1.00 0.00 O ATOM 1122 CB PRO A 72 3.090 -6.209 1.854 1.00 0.00 C ATOM 1123 CG PRO A 72 3.083 -7.504 2.581 1.00 0.00 C ATOM 1124 CD PRO A 72 4.475 -7.699 3.106 1.00 0.00 C ATOM 0 HA PRO A 72 4.691 -4.682 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.102 -5.748 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.374 -6.344 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.359 -7.489 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.800 -8.321 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.473 -8.236 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.086 -8.278 2.413 1.00 0.00 H new ATOM 1132 N GLN A 73 2.988 -3.246 3.051 1.00 0.00 N ATOM 1133 CA GLN A 73 2.211 -2.281 3.818 1.00 0.00 C ATOM 1134 C GLN A 73 1.246 -1.547 2.897 1.00 0.00 C ATOM 1135 O GLN A 73 1.655 -0.975 1.885 1.00 0.00 O ATOM 1136 CB GLN A 73 3.090 -1.215 4.468 1.00 0.00 C ATOM 1137 CG GLN A 73 4.239 -1.713 5.322 1.00 0.00 C ATOM 1138 CD GLN A 73 5.023 -0.552 5.910 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.065 -0.466 7.225 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.565 0.277 5.187 1.00 0.00 N flip ATOM 0 H GLN A 73 3.193 -2.950 2.097 1.00 0.00 H new ATOM 0 HA GLN A 73 1.691 -2.848 4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.500 -0.584 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.455 -0.581 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.854 -2.341 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.901 -2.336 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.513 0.181 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.068 1.063 5.600 1.00 0.00 H new ATOM 1149 N LEU A 74 -0.003 -1.472 3.308 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.000 -0.696 2.596 1.00 0.00 C ATOM 1151 C LEU A 74 -1.064 0.724 3.141 1.00 0.00 C ATOM 1152 O LEU A 74 -1.105 0.923 4.359 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.356 -1.353 2.717 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.485 -0.608 2.017 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.215 -0.491 0.532 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -4.796 -1.303 2.270 1.00 0.00 C ATOM 0 H LEU A 74 -0.355 -1.944 4.141 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.715 -0.654 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.295 -2.361 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.604 -1.453 3.774 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.541 0.401 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.035 0.045 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.284 0.054 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.131 -1.487 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.597 -0.763 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.748 -2.322 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.994 -1.328 3.342 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.168 1.689 2.242 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.346 3.078 2.616 1.00 0.00 C ATOM 1170 C TRP A 75 -2.629 3.622 1.998 1.00 0.00 C ATOM 1171 O TRP A 75 -2.809 3.605 0.782 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.161 3.922 2.160 1.00 0.00 C ATOM 1173 CG TRP A 75 1.138 3.531 2.790 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.907 2.431 2.529 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.789 4.233 3.840 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.023 2.439 3.335 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.963 3.535 4.154 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.488 5.399 4.536 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.839 3.973 5.138 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.354 5.833 5.516 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.517 5.120 5.810 1.00 0.00 C ATOM 0 H TRP A 75 -1.131 1.530 1.235 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.412 3.132 3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.067 3.844 1.077 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.364 4.969 2.387 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.674 1.670 1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.770 1.744 3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.590 5.955 4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.743 3.427 5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.130 6.737 6.064 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.177 5.482 6.585 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.485 4.159 2.841 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.723 4.774 2.395 1.00 0.00 C ATOM 1194 C VAL A 76 -4.633 6.282 2.593 1.00 0.00 C ATOM 1195 O VAL A 76 -4.397 6.735 3.712 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.923 4.207 3.189 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.231 4.840 2.748 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.987 2.695 3.045 1.00 0.00 C ATOM 0 H VAL A 76 -3.346 4.183 3.851 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.874 4.552 1.339 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.774 4.454 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.053 4.418 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.187 5.917 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.393 4.640 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.837 2.311 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.103 2.434 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.067 2.254 3.429 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.736 7.042 1.496 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.581 8.506 1.531 1.00 0.00 C ATOM 1210 C ASP A 77 -3.197 8.837 2.097 1.00 0.00 C ATOM 1211 O ASP A 77 -2.948 9.868 2.710 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.710 9.098 2.374 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.842 10.621 2.350 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.943 11.341 2.824 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.878 11.111 1.854 1.00 0.00 O ATOM 0 H ASP A 77 -4.927 6.667 0.567 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.647 8.940 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.652 8.667 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.568 8.783 3.408 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.292 7.917 1.864 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.926 8.060 2.324 1.00 0.00 C ATOM 1222 C GLY A 78 -0.780 7.810 3.811 1.00 0.00 C ATOM 1223 O GLY A 78 0.110 8.363 4.459 1.00 0.00 O ATOM 0 H GLY A 78 -2.477 7.053 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.289 7.364 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.572 9.065 2.092 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.642 6.957 4.351 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.598 6.606 5.763 1.00 0.00 C ATOM 1229 C GLU A 79 -1.549 5.090 5.932 1.00 0.00 C ATOM 1230 O GLU A 79 -2.263 4.359 5.247 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.808 7.182 6.500 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.906 8.698 6.415 1.00 0.00 C ATOM 1233 CD GLU A 79 -4.097 9.250 7.166 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -4.187 9.034 8.395 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.942 9.921 6.540 1.00 0.00 O ATOM 0 H GLU A 79 -2.384 6.493 3.827 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.694 7.036 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.717 6.744 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.759 6.887 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.993 9.140 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.972 8.995 5.368 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.616 4.622 6.752 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.367 3.196 6.902 1.00 0.00 C ATOM 1244 C LEU A 80 -1.529 2.466 7.573 1.00 0.00 C ATOM 1245 O LEU A 80 -1.948 2.819 8.675 1.00 0.00 O ATOM 1246 CB LEU A 80 0.915 2.979 7.713 1.00 0.00 C ATOM 1247 CG LEU A 80 1.227 1.523 8.042 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.595 0.753 6.789 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.333 1.443 9.077 1.00 0.00 C ATOM 0 H LEU A 80 -0.016 5.215 7.326 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.257 2.779 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.754 3.399 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.837 3.538 8.645 1.00 0.00 H new ATOM 0 HG LEU A 80 0.332 1.063 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.813 -0.283 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.763 0.783 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.474 1.205 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.545 0.398 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.232 1.920 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.017 1.954 9.987 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.942 1.366 6.955 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.938 0.476 7.533 1.00 0.00 C ATOM 1263 C VAL A 81 -2.295 -0.870 7.899 1.00 0.00 C ATOM 1264 O VAL A 81 -2.428 -1.352 9.024 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.116 0.241 6.548 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.145 -0.725 7.122 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.788 1.556 6.182 1.00 0.00 C ATOM 0 H VAL A 81 -1.597 1.068 6.043 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.330 0.949 8.434 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.696 -0.206 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.953 -0.864 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.670 -1.685 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.549 -0.318 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.609 1.365 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.175 2.030 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.062 2.216 5.708 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.613 -1.473 6.927 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.974 -2.773 7.125 1.00 0.00 C ATOM 1279 C GLY A 82 -1.017 -3.589 5.850 1.00 0.00 C ATOM 1280 O GLY A 82 -1.977 -3.473 5.100 1.00 0.00 O ATOM 0 H GLY A 82 -1.489 -1.082 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.061 -2.632 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.478 -3.314 7.926 1.00 0.00 H new ATOM 1284 N GLY A 83 0.085 -4.238 5.489 1.00 0.00 N ATOM 1285 CA GLY A 83 0.159 -4.839 4.163 1.00 0.00 C ATOM 1286 C GLY A 83 -0.394 -6.251 4.026 1.00 0.00 C ATOM 1287 O GLY A 83 -1.268 -6.488 3.204 1.00 0.00 O ATOM 0 H GLY A 83 0.913 -4.359 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.376 -4.194 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.203 -4.850 3.851 1.00 0.00 H new ATOM 1291 N CYS A 84 0.209 -7.219 4.699 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.168 -8.614 4.469 1.00 0.00 C ATOM 1293 C CYS A 84 -1.443 -9.013 5.209 1.00 0.00 C ATOM 1294 O CYS A 84 -2.440 -9.391 4.595 1.00 0.00 O ATOM 1295 CB CYS A 84 0.985 -9.560 4.831 1.00 0.00 C ATOM 1296 SG CYS A 84 1.667 -9.319 6.488 1.00 0.00 S ATOM 0 H CYS A 84 0.943 -7.076 5.392 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.379 -8.706 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.635 -10.588 4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.785 -9.432 4.101 1.00 0.00 H new ATOM 0 HG CYS A 84 2.630 -10.169 6.689 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.355 -9.033 6.527 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.440 -9.517 7.375 1.00 0.00 C ATOM 1304 C ASP A 85 -3.573 -8.519 7.428 1.00 0.00 C ATOM 1305 O ASP A 85 -4.750 -8.891 7.398 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.910 -9.764 8.790 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.745 -10.734 8.816 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -0.930 -11.916 8.455 1.00 0.00 O ATOM 1309 OD2 ASP A 85 0.371 -10.315 9.181 1.00 0.00 O ATOM 0 H ASP A 85 -0.534 -8.716 7.042 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.820 -10.447 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.598 -8.816 9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.716 -10.153 9.413 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.200 -7.270 7.631 1.00 0.00 N ATOM 1315 CA ILE A 86 -4.155 -6.206 7.844 1.00 0.00 C ATOM 1316 C ILE A 86 -5.077 -6.041 6.637 1.00 0.00 C ATOM 1317 O ILE A 86 -6.294 -5.972 6.794 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.459 -4.860 8.165 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.684 -4.904 9.495 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.479 -3.741 8.211 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -1.485 -5.829 9.514 1.00 0.00 C ATOM 0 H ILE A 86 -2.226 -6.967 7.652 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.755 -6.491 8.708 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.740 -4.675 7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.348 -3.895 9.734 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.369 -5.208 10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.977 -2.800 8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.977 -3.663 7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.218 -3.953 8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.009 -5.788 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.810 -6.850 9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.772 -5.517 8.751 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.506 -6.016 5.434 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.312 -5.893 4.225 1.00 0.00 C ATOM 1335 C VAL A 87 -6.363 -6.992 4.148 1.00 0.00 C ATOM 1336 O VAL A 87 -7.532 -6.709 3.930 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.456 -5.918 2.938 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.335 -5.990 1.699 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.581 -4.683 2.864 1.00 0.00 C ATOM 0 H VAL A 87 -3.501 -6.079 5.273 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.803 -4.922 4.289 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.827 -6.807 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.707 -6.006 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.939 -6.896 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.989 -5.119 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.984 -4.714 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.209 -3.792 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.920 -4.653 3.730 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.958 -8.239 4.345 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.905 -9.345 4.300 1.00 0.00 C ATOM 1351 C ILE A 88 -7.970 -9.226 5.380 1.00 0.00 C ATOM 1352 O ILE A 88 -9.157 -9.370 5.093 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.207 -10.714 4.423 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.322 -10.961 3.202 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.237 -11.832 4.577 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.094 -11.003 1.902 1.00 0.00 C ATOM 0 H ILE A 88 -4.993 -8.509 4.535 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.385 -9.285 3.323 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.580 -10.708 5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.568 -10.176 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.791 -11.904 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.724 -12.790 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.832 -11.658 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.891 -11.847 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.406 -11.182 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.830 -11.806 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.604 -10.051 1.751 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.559 -9.019 6.624 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.531 -8.965 7.706 1.00 0.00 C ATOM 1370 C GLU A 89 -9.498 -7.799 7.505 1.00 0.00 C ATOM 1371 O GLU A 89 -10.708 -7.998 7.469 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.849 -8.861 9.069 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.835 -8.949 10.221 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.169 -8.905 11.578 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.311 -9.770 11.848 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.531 -8.036 12.395 1.00 0.00 O ATOM 0 H GLU A 89 -6.587 -8.889 6.904 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.096 -9.897 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.112 -9.658 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.308 -7.917 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.547 -8.127 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.406 -9.874 10.133 1.00 0.00 H new ATOM 1383 N MET A 90 -8.957 -6.604 7.294 1.00 0.00 N ATOM 1384 CA MET A 90 -9.767 -5.416 7.018 1.00 0.00 C ATOM 1385 C MET A 90 -10.629 -5.602 5.769 1.00 0.00 C ATOM 1386 O MET A 90 -11.789 -5.188 5.748 1.00 0.00 O ATOM 1387 CB MET A 90 -8.885 -4.159 6.928 1.00 0.00 C ATOM 1388 CG MET A 90 -8.451 -3.620 8.289 1.00 0.00 C ATOM 1389 SD MET A 90 -7.561 -4.824 9.297 1.00 0.00 S ATOM 1390 CE MET A 90 -7.279 -3.878 10.792 1.00 0.00 C ATOM 0 H MET A 90 -7.952 -6.429 7.309 1.00 0.00 H new ATOM 0 HA MET A 90 -10.452 -5.275 7.854 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.998 -4.389 6.338 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.430 -3.380 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.817 -2.746 8.138 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.333 -3.284 8.835 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.737 -4.490 11.513 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.692 -2.990 10.556 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.236 -3.577 11.218 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.110 -6.340 4.795 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.885 -6.732 3.620 1.00 0.00 C ATOM 1402 C TYR A 91 -12.115 -7.534 4.017 1.00 0.00 C ATOM 1403 O TYR A 91 -13.236 -7.202 3.627 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.988 -7.561 2.698 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.695 -8.505 1.752 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.501 -8.053 0.723 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.534 -9.873 1.906 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.128 -8.938 -0.132 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.153 -10.765 1.064 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.950 -10.295 0.041 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.573 -11.181 -0.810 1.00 0.00 O ATOM 0 H TYR A 91 -9.149 -6.682 4.795 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.229 -5.837 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.378 -6.877 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.305 -8.143 3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.642 -6.991 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.909 -10.245 2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.754 -8.570 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.016 -11.827 1.202 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.343 -12.098 -0.552 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.892 -8.576 4.803 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.970 -9.432 5.277 1.00 0.00 C ATOM 1423 C GLN A 92 -13.936 -8.637 6.151 1.00 0.00 C ATOM 1424 O GLN A 92 -15.155 -8.775 6.043 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.395 -10.612 6.062 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.412 -11.448 5.260 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.793 -12.563 6.075 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.178 -12.321 7.117 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.943 -13.791 5.611 1.00 0.00 N ATOM 0 H GLN A 92 -10.966 -8.851 5.129 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.518 -9.814 4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.897 -10.236 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.213 -11.249 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.924 -11.875 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.622 -10.803 4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.459 -13.950 4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.543 -14.580 6.118 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.376 -7.804 7.024 1.00 0.00 N ATOM 1439 CA ARG A 93 -14.163 -6.978 7.932 1.00 0.00 C ATOM 1440 C ARG A 93 -15.040 -5.993 7.164 1.00 0.00 C ATOM 1441 O ARG A 93 -16.103 -5.590 7.642 1.00 0.00 O ATOM 1442 CB ARG A 93 -13.250 -6.185 8.869 1.00 0.00 C ATOM 1443 CG ARG A 93 -12.278 -7.036 9.663 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.989 -8.072 10.524 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.916 -7.466 11.486 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.555 -6.627 12.464 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -12.273 -6.323 12.651 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.477 -6.113 13.270 1.00 0.00 N ATOM 0 H ARG A 93 -12.368 -7.683 7.121 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.796 -7.651 8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.685 -5.462 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.868 -5.616 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.597 -7.541 8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.671 -6.392 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.538 -8.759 9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.247 -8.662 11.062 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.905 -7.701 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.559 -6.730 12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.004 -5.683 13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.459 -6.358 13.143 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.203 -5.473 14.016 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.527 -5.510 6.038 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.213 -4.464 5.310 1.00 0.00 C ATOM 1464 C GLY A 94 -14.575 -3.106 5.533 1.00 0.00 C ATOM 1465 O GLY A 94 -14.754 -2.190 4.742 1.00 0.00 O ATOM 0 H GLY A 94 -13.652 -5.824 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.205 -4.698 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.257 -4.430 5.621 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.878 -2.965 6.648 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.262 -1.698 7.035 1.00 0.00 C ATOM 1471 C GLU A 95 -12.314 -1.150 5.960 1.00 0.00 C ATOM 1472 O GLU A 95 -12.121 0.052 5.858 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.486 -1.866 8.341 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.327 -2.382 9.497 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.537 -2.482 10.786 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.507 -3.190 10.808 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.944 -1.854 11.786 1.00 0.00 O ATOM 0 H GLU A 95 -13.721 -3.722 7.313 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.074 -0.983 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.657 -2.553 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.053 -0.906 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.179 -1.719 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.727 -3.363 9.242 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.647 -2.038 5.238 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.623 -1.625 4.273 1.00 0.00 C ATOM 1486 C LEU A 96 -11.280 -0.932 3.098 1.00 0.00 C ATOM 1487 O LEU A 96 -10.952 0.203 2.765 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.809 -2.846 3.816 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.516 -2.566 3.030 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.737 -3.849 2.859 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.789 -1.970 1.659 1.00 0.00 C ATOM 0 H LEU A 96 -11.791 -3.046 5.297 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.937 -0.922 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.550 -3.430 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.453 -3.471 3.198 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.942 -1.839 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.822 -3.648 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.484 -4.254 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.342 -4.572 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.844 -1.791 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.394 -2.663 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.325 -1.027 1.772 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.289 -1.585 2.560 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.114 -1.010 1.502 1.00 0.00 C ATOM 1505 C GLN A 97 -13.819 0.248 1.982 1.00 0.00 C ATOM 1506 O GLN A 97 -14.070 1.155 1.205 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.103 -2.041 0.946 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.858 -2.834 2.000 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.707 -3.950 1.419 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.616 -3.712 0.629 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.413 -5.184 1.807 1.00 0.00 N ATOM 0 H GLN A 97 -12.565 -2.527 2.838 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.456 -0.721 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.825 -1.526 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.559 -2.738 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.144 -3.260 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.498 -2.156 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.650 -5.344 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.950 -5.973 1.447 1.00 0.00 H new ATOM 1520 N GLN A 98 -14.022 0.338 3.285 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.566 1.537 3.908 1.00 0.00 C ATOM 1522 C GLN A 98 -13.553 2.673 3.855 1.00 0.00 C ATOM 1523 O GLN A 98 -13.877 3.791 3.460 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.954 1.244 5.360 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.176 0.349 5.509 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.468 1.005 5.044 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.417 2.289 4.723 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -18.516 0.365 5.008 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.816 -0.415 3.941 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.456 1.841 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.109 0.773 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.144 2.188 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.017 -0.567 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.280 0.060 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.519 -0.623 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.383 0.822 4.724 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.325 2.365 4.244 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.245 3.341 4.240 1.00 0.00 C ATOM 1539 C LEU A 99 -10.954 3.795 2.821 1.00 0.00 C ATOM 1540 O LEU A 99 -10.827 4.991 2.551 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.977 2.735 4.848 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.154 2.103 6.229 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.827 1.566 6.745 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.748 3.102 7.212 1.00 0.00 C ATOM 0 H LEU A 99 -12.050 1.438 4.569 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.555 4.198 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.593 1.977 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.218 3.515 4.918 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.849 1.269 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.973 1.120 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.448 0.811 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.108 2.382 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.864 2.628 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.084 3.962 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.722 3.432 6.851 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.866 2.827 1.915 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.607 3.125 0.517 1.00 0.00 C ATOM 1558 C ILE A 100 -11.764 3.920 -0.063 1.00 0.00 C ATOM 1559 O ILE A 100 -11.546 4.910 -0.744 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.379 1.850 -0.329 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.222 1.023 0.238 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.093 2.215 -1.783 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.892 1.748 0.264 1.00 0.00 C ATOM 0 H ILE A 100 -10.970 1.834 2.125 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.689 3.711 0.478 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.289 1.252 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.474 0.714 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.116 0.114 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.935 1.305 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.940 2.764 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.199 2.836 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.128 1.091 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.613 2.033 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.977 2.642 0.881 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.991 3.490 0.245 1.00 0.00 N ATOM 1576 CA LYS A 101 -14.199 4.157 -0.227 1.00 0.00 C ATOM 1577 C LYS A 101 -14.128 5.651 0.014 1.00 0.00 C ATOM 1578 O LYS A 101 -14.359 6.454 -0.884 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.410 3.609 0.519 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.707 4.258 0.108 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.864 3.872 1.022 1.00 0.00 C ATOM 1582 CE LYS A 101 -18.056 2.369 1.100 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.197 2.002 1.985 1.00 0.00 N ATOM 0 H LYS A 101 -13.170 2.672 0.827 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.288 3.971 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.479 2.535 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.264 3.752 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.587 5.341 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.945 3.971 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.682 4.266 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.781 4.335 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.230 1.972 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.143 1.905 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.233 0.968 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.069 2.444 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.086 2.337 1.562 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.835 6.004 1.245 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.753 7.395 1.647 1.00 0.00 C ATOM 1599 C GLU A 102 -12.645 8.107 0.878 1.00 0.00 C ATOM 1600 O GLU A 102 -12.837 9.209 0.371 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.504 7.452 3.160 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.518 8.844 3.784 1.00 0.00 C ATOM 1603 CD GLU A 102 -12.335 9.717 3.401 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -11.178 9.287 3.609 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.559 10.851 2.937 1.00 0.00 O ATOM 0 H GLU A 102 -13.647 5.339 1.996 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.688 7.906 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.260 6.844 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.538 6.991 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.437 9.351 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.542 8.742 4.869 1.00 0.00 H new ATOM 1612 N THR A 103 -11.467 7.510 0.885 1.00 0.00 N ATOM 1613 CA THR A 103 -10.291 8.127 0.305 1.00 0.00 C ATOM 1614 C THR A 103 -10.329 8.179 -1.221 1.00 0.00 C ATOM 1615 O THR A 103 -10.080 9.224 -1.819 1.00 0.00 O ATOM 1616 CB THR A 103 -9.035 7.393 0.784 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.958 7.474 2.213 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.791 7.987 0.165 1.00 0.00 C ATOM 0 H THR A 103 -11.300 6.589 1.291 1.00 0.00 H new ATOM 0 HA THR A 103 -10.272 9.162 0.645 1.00 0.00 H new ATOM 0 HB THR A 103 -9.099 6.350 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.521 6.778 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.914 7.447 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.850 7.906 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.710 9.037 0.446 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.635 7.069 -1.852 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.686 7.017 -3.300 1.00 0.00 C ATOM 1628 C ALA A 104 -11.749 7.969 -3.832 1.00 0.00 C ATOM 1629 O ALA A 104 -11.480 8.758 -4.738 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.947 5.600 -3.756 1.00 0.00 C ATOM 0 H ALA A 104 -10.853 6.188 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.724 7.336 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.984 5.569 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.147 4.950 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.899 5.257 -3.351 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.932 7.928 -3.222 1.00 0.00 N ATOM 1637 CA ALA A 105 -14.031 8.816 -3.590 1.00 0.00 C ATOM 1638 C ALA A 105 -13.674 10.287 -3.371 1.00 0.00 C ATOM 1639 O ALA A 105 -14.130 11.160 -4.105 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.299 8.462 -2.830 1.00 0.00 C ATOM 0 H ALA A 105 -13.154 7.283 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.212 8.672 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.101 9.140 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.587 7.437 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -15.119 8.556 -1.759 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.866 10.583 -2.367 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.488 11.966 -2.142 1.00 0.00 C ATOM 1648 C LYS A 106 -11.363 12.380 -3.094 1.00 0.00 C ATOM 1649 O LYS A 106 -11.180 13.570 -3.349 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.174 12.274 -0.663 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.978 11.554 -0.061 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.625 12.120 -0.492 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.386 13.551 -0.010 1.00 0.00 C ATOM 1654 NZ LYS A 106 -10.272 14.549 -0.672 1.00 0.00 N ATOM 0 H LYS A 106 -12.470 9.907 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.355 12.584 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.011 13.347 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.054 12.029 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.049 11.600 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.024 10.501 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.832 11.478 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.558 12.095 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.542 13.595 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.346 13.820 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.708 15.370 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.721 14.116 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.007 14.858 -0.004 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.658 11.405 -3.690 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.641 11.742 -4.683 1.00 0.00 C ATOM 1670 C TYR A 107 -10.221 11.783 -6.104 1.00 0.00 C ATOM 1671 O TYR A 107 -10.240 12.847 -6.720 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.428 10.794 -4.621 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.463 11.074 -3.483 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.466 12.025 -3.641 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.508 10.375 -2.275 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.558 12.286 -2.637 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.605 10.634 -1.272 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.632 11.590 -1.453 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.728 11.848 -0.448 1.00 0.00 O ATOM 0 H TYR A 107 -10.772 10.408 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 107 -9.291 12.743 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.789 9.769 -4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.885 10.858 -5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.400 12.572 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.265 9.619 -2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.792 13.034 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.659 10.087 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.443 12.785 -0.496 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.939 10.731 -6.501 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.785 10.806 -7.690 1.00 0.00 C ATOM 1691 C LYS A 108 -13.218 10.955 -7.236 1.00 0.00 C ATOM 1692 O LYS A 108 -13.650 10.200 -6.379 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.644 9.587 -8.610 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.365 9.547 -9.446 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.106 9.471 -8.604 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.142 8.278 -7.672 1.00 0.00 C ATOM 1697 NZ LYS A 108 -7.868 8.109 -6.935 1.00 0.00 N ATOM 0 H LYS A 108 -10.952 9.830 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.466 11.665 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.689 8.685 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.500 9.559 -9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.401 8.686 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.321 10.436 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.234 9.402 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.998 10.387 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.959 8.399 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.351 7.376 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.037 7.553 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.181 7.612 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.490 9.043 -6.677 1.00 0.00 H new ATOM 1711 N SER A 109 -13.864 12.033 -7.651 1.00 0.00 N ATOM 1712 CA SER A 109 -15.154 12.419 -7.089 1.00 0.00 C ATOM 1713 C SER A 109 -16.143 11.263 -6.967 1.00 0.00 C ATOM 1714 O SER A 109 -16.712 10.784 -7.953 1.00 0.00 O ATOM 1715 CB SER A 109 -15.757 13.554 -7.906 1.00 0.00 C ATOM 1716 OG SER A 109 -15.788 13.241 -9.290 1.00 0.00 O ATOM 0 H SER A 109 -13.517 12.660 -8.377 1.00 0.00 H new ATOM 0 HA SER A 109 -14.960 12.754 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.769 13.758 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.177 14.463 -7.751 1.00 0.00 H new ATOM 0 HG SER A 109 -16.098 12.319 -9.410 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.427 10.945 -5.710 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.453 9.982 -5.321 1.00 0.00 C ATOM 1724 C GLU A 110 -17.352 8.653 -6.070 1.00 0.00 C ATOM 1725 O GLU A 110 -18.373 8.101 -6.478 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.839 10.596 -5.516 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.098 11.801 -4.627 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.455 12.419 -4.874 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -20.691 12.930 -5.988 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -21.304 12.376 -3.961 1.00 0.00 O ATOM 0 H GLU A 110 -15.940 11.358 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.289 9.753 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.953 10.892 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.595 9.837 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.024 11.501 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.324 12.549 -4.799 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.147 8.106 -6.207 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.006 6.811 -6.858 1.00 0.00 C ATOM 1739 C GLU A 111 -16.460 5.702 -5.898 1.00 0.00 C ATOM 1740 O GLU A 111 -16.085 5.694 -4.724 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.566 6.574 -7.356 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.538 6.208 -6.305 1.00 0.00 C ATOM 1743 CD GLU A 111 -12.204 5.874 -6.951 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -11.641 6.748 -7.640 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -11.732 4.730 -6.825 1.00 0.00 O ATOM 0 H GLU A 111 -15.276 8.528 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.644 6.795 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.589 5.779 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.228 7.477 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.413 7.037 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.891 5.355 -5.726 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.333 4.790 -6.357 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.875 3.721 -5.518 1.00 0.00 C ATOM 1754 C PRO A 112 -16.886 2.569 -5.367 1.00 0.00 C ATOM 1755 O PRO A 112 -16.409 2.027 -6.366 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.130 3.257 -6.275 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.275 4.186 -7.441 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.909 4.751 -7.700 1.00 0.00 C ATOM 0 HA PRO A 112 -18.087 4.063 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.025 2.225 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.010 3.296 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.649 3.656 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.989 4.980 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.329 4.121 -8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.957 5.742 -8.152 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.514 2.258 -4.133 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.486 1.246 -3.889 1.00 0.00 C ATOM 1768 C ASP A 113 -16.058 -0.023 -3.296 1.00 0.00 C ATOM 1769 O ASP A 113 -16.019 -1.087 -3.915 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.424 1.789 -2.941 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.641 2.936 -3.527 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.938 3.351 -4.662 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.734 3.421 -2.842 1.00 0.00 O ATOM 0 H ASP A 113 -16.901 2.684 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.047 1.007 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.902 2.117 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.737 0.986 -2.676 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.615 0.101 -2.103 1.00 0.00 N ATOM 1779 CA ALA A 114 -17.224 -1.029 -1.437 1.00 0.00 C ATOM 1780 C ALA A 114 -18.589 -1.275 -2.050 1.00 0.00 C ATOM 1781 O ALA A 114 -18.966 -2.412 -2.341 1.00 0.00 O ATOM 1782 CB ALA A 114 -17.292 -0.798 0.072 1.00 0.00 C ATOM 0 H ALA A 114 -16.656 0.975 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.617 -1.923 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.754 -1.661 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -16.285 -0.660 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.886 0.092 0.277 1.00 0.00 H new ATOM 1788 N GLU A 115 -19.263 -0.177 -2.360 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.511 -0.215 -3.068 1.00 0.00 C ATOM 1790 C GLU A 115 -20.766 1.165 -3.659 1.00 0.00 C ATOM 1791 O GLU A 115 -20.045 2.111 -3.263 1.00 0.00 O ATOM 1792 CB GLU A 115 -21.670 -0.611 -2.149 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.181 0.486 -1.212 1.00 0.00 C ATOM 1794 CD GLU A 115 -21.235 0.863 -0.090 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -20.210 0.193 0.106 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -21.544 1.827 0.643 1.00 0.00 O ATOM 1797 OXT GLU A 115 -21.671 1.304 -4.504 1.00 0.00 O ATOM 0 H GLU A 115 -18.949 0.764 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 115 -20.450 -0.967 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -22.501 -0.950 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -21.355 -1.462 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.393 1.377 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -23.125 0.160 -0.776 1.00 0.00 H new TER 1804 GLU A 115