USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 85 SER OG : rot -43:sc= 0.125 USER MOD Set 1.2: A 91 ASN : amide:sc= 2.6 K(o=2.7,f=-9.5!) USER MOD Set 2.1: A 82 SER OG : rot -80:sc= 1.04 USER MOD Set 2.2: A 95 CYS SG : rot 180:sc= 0.628 USER MOD Set 3.1: A 14 SER OG : rot -17:sc= 0.531 USER MOD Set 3.2: A 15 SER OG : rot 83:sc= 0.91 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.43) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.0452 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.114 USER MOD Single : A 29 SER OG : rot -76:sc= 0.902 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 36 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.085) USER MOD Single : A 38 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0532 K(o=-0.053,f=-4.6!) USER MOD Single : A 42 SER OG : rot 157:sc= 1.29 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0.92) USER MOD Single : A 49 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.2!) USER MOD Single : A 52 SER OG : rot -36:sc= 0.133 USER MOD Single : A 62 GLN : amide:sc= 0.401 X(o=0.4,f=-0.07) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 84:sc= 0.00323 USER MOD Single : A 68 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.62) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.0085) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.0353 (180deg=-0.0989) USER MOD Single : A 73 ASN : amide:sc= -1.79! C(o=-1.8!,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 3:sc= 0.354 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.244 K(o=-0.24,f=-5.9!) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 0.52 (180deg=0.444) USER MOD Single : A 102 MET CE :methyl -170:sc= -3.38! (180deg=-3.53!) USER MOD Single : A 107 SER OG : rot 166:sc= 1.3 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.543 24.010 11.808 1.00 0.00 N ATOM 2 CA GLY A 1 -11.343 22.839 12.665 1.00 0.00 C ATOM 3 C GLY A 1 -12.662 22.341 13.203 1.00 0.00 C ATOM 4 O GLY A 1 -13.150 22.886 14.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.624 24.338 11.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.157 23.754 11.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.990 24.771 12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.853 22.047 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.681 23.096 13.492 1.00 0.00 H new ATOM 8 N SER A 2 -13.226 21.296 12.599 1.00 0.00 N ATOM 9 CA SER A 2 -14.373 20.552 13.117 1.00 0.00 C ATOM 10 C SER A 2 -14.203 19.095 12.663 1.00 0.00 C ATOM 11 O SER A 2 -13.434 18.854 11.729 1.00 0.00 O ATOM 12 CB SER A 2 -15.678 21.159 12.572 1.00 0.00 C ATOM 13 OG SER A 2 -15.638 22.582 12.552 1.00 0.00 O ATOM 0 H SER A 2 -12.887 20.933 11.708 1.00 0.00 H new ATOM 0 HA SER A 2 -14.424 20.601 14.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.857 20.787 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.516 20.829 13.186 1.00 0.00 H new ATOM 0 HG SER A 2 -16.484 22.928 12.198 1.00 0.00 H new ATOM 19 N SER A 3 -14.878 18.129 13.289 1.00 0.00 N ATOM 20 CA SER A 3 -14.746 16.722 12.902 1.00 0.00 C ATOM 21 C SER A 3 -15.414 16.407 11.563 1.00 0.00 C ATOM 22 O SER A 3 -15.103 15.387 10.946 1.00 0.00 O ATOM 23 CB SER A 3 -15.357 15.822 13.971 1.00 0.00 C ATOM 24 OG SER A 3 -14.702 15.978 15.218 1.00 0.00 O ATOM 0 H SER A 3 -15.520 18.294 14.064 1.00 0.00 H new ATOM 0 HA SER A 3 -13.677 16.533 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.416 16.056 14.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.292 14.782 13.653 1.00 0.00 H new ATOM 0 HG SER A 3 -15.118 15.389 15.882 1.00 0.00 H new ATOM 30 N GLY A 4 -16.343 17.255 11.109 1.00 0.00 N ATOM 31 CA GLY A 4 -17.181 16.948 9.968 1.00 0.00 C ATOM 32 C GLY A 4 -17.923 15.639 10.193 1.00 0.00 C ATOM 33 O GLY A 4 -18.358 15.339 11.311 1.00 0.00 O ATOM 0 H GLY A 4 -16.527 18.167 11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.895 17.755 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.570 16.877 9.068 1.00 0.00 H new ATOM 37 N SER A 5 -18.090 14.880 9.115 1.00 0.00 N ATOM 38 CA SER A 5 -18.693 13.561 9.112 1.00 0.00 C ATOM 39 C SER A 5 -18.266 12.866 7.821 1.00 0.00 C ATOM 40 O SER A 5 -17.701 11.772 7.895 1.00 0.00 O ATOM 41 CB SER A 5 -20.212 13.727 9.234 1.00 0.00 C ATOM 42 OG SER A 5 -20.921 12.556 8.879 1.00 0.00 O ATOM 0 H SER A 5 -17.796 15.183 8.186 1.00 0.00 H new ATOM 0 HA SER A 5 -18.369 12.944 9.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.462 14.001 10.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.536 14.550 8.596 1.00 0.00 H new ATOM 0 HG SER A 5 -21.883 12.714 8.976 1.00 0.00 H new ATOM 48 N SER A 6 -18.485 13.511 6.669 1.00 0.00 N ATOM 49 CA SER A 6 -18.064 13.056 5.348 1.00 0.00 C ATOM 50 C SER A 6 -18.426 11.588 5.078 1.00 0.00 C ATOM 51 O SER A 6 -17.561 10.736 4.860 1.00 0.00 O ATOM 52 CB SER A 6 -16.587 13.431 5.152 1.00 0.00 C ATOM 53 OG SER A 6 -16.461 14.846 5.235 1.00 0.00 O ATOM 0 H SER A 6 -18.982 14.401 6.636 1.00 0.00 H new ATOM 0 HA SER A 6 -18.628 13.572 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.971 12.951 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.232 13.076 4.184 1.00 0.00 H new ATOM 0 HG SER A 6 -15.522 15.099 5.113 1.00 0.00 H new ATOM 59 N GLY A 7 -19.734 11.311 5.078 1.00 0.00 N ATOM 60 CA GLY A 7 -20.337 10.054 4.647 1.00 0.00 C ATOM 61 C GLY A 7 -20.861 10.158 3.211 1.00 0.00 C ATOM 62 O GLY A 7 -20.402 11.007 2.441 1.00 0.00 O ATOM 0 H GLY A 7 -20.428 11.989 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.601 9.253 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.155 9.790 5.318 1.00 0.00 H new ATOM 66 N GLU A 8 -21.829 9.301 2.863 1.00 0.00 N ATOM 67 CA GLU A 8 -22.399 9.130 1.518 1.00 0.00 C ATOM 68 C GLU A 8 -21.331 8.682 0.506 1.00 0.00 C ATOM 69 O GLU A 8 -20.311 8.103 0.892 1.00 0.00 O ATOM 70 CB GLU A 8 -23.213 10.362 1.052 1.00 0.00 C ATOM 71 CG GLU A 8 -24.276 10.797 2.068 1.00 0.00 C ATOM 72 CD GLU A 8 -25.410 11.609 1.441 1.00 0.00 C ATOM 73 OE1 GLU A 8 -25.200 12.405 0.491 1.00 0.00 O ATOM 74 OE2 GLU A 8 -26.563 11.435 1.898 1.00 0.00 O ATOM 0 H GLU A 8 -22.258 8.676 3.545 1.00 0.00 H new ATOM 0 HA GLU A 8 -23.125 8.319 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.532 11.193 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.698 10.133 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -24.694 9.912 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.801 11.390 2.849 1.00 0.00 H new ATOM 81 N HIS A 9 -21.608 8.840 -0.790 1.00 0.00 N ATOM 82 CA HIS A 9 -20.676 8.590 -1.882 1.00 0.00 C ATOM 83 C HIS A 9 -19.881 9.860 -2.207 1.00 0.00 C ATOM 84 O HIS A 9 -20.181 10.942 -1.699 1.00 0.00 O ATOM 85 CB HIS A 9 -21.461 8.106 -3.114 1.00 0.00 C ATOM 86 CG HIS A 9 -22.641 8.967 -3.495 1.00 0.00 C ATOM 87 ND1 HIS A 9 -22.609 10.240 -4.033 1.00 0.00 N ATOM 88 CD2 HIS A 9 -23.954 8.609 -3.355 1.00 0.00 C ATOM 89 CE1 HIS A 9 -23.881 10.643 -4.192 1.00 0.00 C ATOM 90 NE2 HIS A 9 -24.731 9.674 -3.812 1.00 0.00 N ATOM 0 H HIS A 9 -22.521 9.157 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.965 7.818 -1.586 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.779 8.053 -3.963 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.815 7.092 -2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -24.322 7.673 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.178 11.609 -4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -25.750 9.710 -3.850 1.00 0.00 H new ATOM 98 N ALA A 10 -18.904 9.740 -3.109 1.00 0.00 N ATOM 99 CA ALA A 10 -18.230 10.845 -3.776 1.00 0.00 C ATOM 100 C ALA A 10 -17.981 10.449 -5.237 1.00 0.00 C ATOM 101 O ALA A 10 -18.089 9.266 -5.591 1.00 0.00 O ATOM 102 CB ALA A 10 -16.926 11.188 -3.045 1.00 0.00 C ATOM 0 H ALA A 10 -18.550 8.830 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.851 11.741 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.431 12.016 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.149 11.475 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.270 10.318 -3.044 1.00 0.00 H new ATOM 108 N LYS A 11 -17.644 11.411 -6.099 1.00 0.00 N ATOM 109 CA LYS A 11 -17.201 11.160 -7.475 1.00 0.00 C ATOM 110 C LYS A 11 -15.888 10.372 -7.479 1.00 0.00 C ATOM 111 O LYS A 11 -15.165 10.362 -6.480 1.00 0.00 O ATOM 112 CB LYS A 11 -17.034 12.504 -8.212 1.00 0.00 C ATOM 113 CG LYS A 11 -18.188 12.816 -9.173 1.00 0.00 C ATOM 114 CD LYS A 11 -19.576 12.883 -8.518 1.00 0.00 C ATOM 115 CE LYS A 11 -20.565 13.297 -9.610 1.00 0.00 C ATOM 116 NZ LYS A 11 -21.978 13.242 -9.193 1.00 0.00 N ATOM 0 H LYS A 11 -17.671 12.402 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.952 10.563 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.955 13.306 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.098 12.490 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.987 13.769 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.207 12.055 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.850 11.916 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.582 13.602 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.331 14.312 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.427 12.649 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.585 13.536 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.220 12.270 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.127 13.881 -8.386 1.00 0.00 H new ATOM 130 N GLN A 12 -15.584 9.718 -8.602 1.00 0.00 N ATOM 131 CA GLN A 12 -14.408 8.869 -8.742 1.00 0.00 C ATOM 132 C GLN A 12 -13.164 9.738 -8.754 1.00 0.00 C ATOM 133 O GLN A 12 -12.887 10.408 -9.747 1.00 0.00 O ATOM 134 CB GLN A 12 -14.491 7.999 -10.000 1.00 0.00 C ATOM 135 CG GLN A 12 -15.588 6.943 -9.835 1.00 0.00 C ATOM 136 CD GLN A 12 -15.702 6.034 -11.055 1.00 0.00 C ATOM 137 OE1 GLN A 12 -15.031 5.010 -11.157 1.00 0.00 O ATOM 138 NE2 GLN A 12 -16.536 6.369 -12.023 1.00 0.00 N ATOM 0 H GLN A 12 -16.155 9.766 -9.446 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.360 8.188 -7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.702 8.622 -10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.532 7.514 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.378 6.339 -8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.544 7.438 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.095 7.218 -11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.621 5.778 -12.850 1.00 0.00 H new ATOM 147 N ALA A 13 -12.427 9.737 -7.648 1.00 0.00 N ATOM 148 CA ALA A 13 -11.179 10.460 -7.514 1.00 0.00 C ATOM 149 C ALA A 13 -10.262 9.714 -6.545 1.00 0.00 C ATOM 150 O ALA A 13 -10.685 8.755 -5.885 1.00 0.00 O ATOM 151 CB ALA A 13 -11.500 11.880 -7.041 1.00 0.00 C ATOM 0 H ALA A 13 -12.690 9.223 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.652 10.527 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.574 12.445 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.141 12.371 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.013 11.836 -6.080 1.00 0.00 H new ATOM 157 N SER A 14 -9.011 10.170 -6.469 1.00 0.00 N ATOM 158 CA SER A 14 -7.877 9.439 -5.928 1.00 0.00 C ATOM 159 C SER A 14 -7.915 7.993 -6.447 1.00 0.00 C ATOM 160 O SER A 14 -8.303 7.762 -7.597 1.00 0.00 O ATOM 161 CB SER A 14 -7.772 9.655 -4.407 1.00 0.00 C ATOM 162 OG SER A 14 -8.785 9.005 -3.668 1.00 0.00 O ATOM 0 H SER A 14 -8.755 11.101 -6.799 1.00 0.00 H new ATOM 0 HA SER A 14 -6.923 9.825 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.800 9.299 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.811 10.724 -4.198 1.00 0.00 H new ATOM 0 HG SER A 14 -9.524 8.766 -4.266 1.00 0.00 H new ATOM 168 N SER A 15 -7.524 7.008 -5.639 1.00 0.00 N ATOM 169 CA SER A 15 -7.763 5.589 -5.889 1.00 0.00 C ATOM 170 C SER A 15 -6.979 5.013 -7.083 1.00 0.00 C ATOM 171 O SER A 15 -7.161 3.842 -7.407 1.00 0.00 O ATOM 172 CB SER A 15 -9.274 5.317 -6.032 1.00 0.00 C ATOM 173 OG SER A 15 -10.080 6.084 -5.144 1.00 0.00 O ATOM 0 H SER A 15 -7.019 7.181 -4.770 1.00 0.00 H new ATOM 0 HA SER A 15 -7.378 5.061 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.577 5.528 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.462 4.258 -5.856 1.00 0.00 H new ATOM 0 HG SER A 15 -10.225 6.977 -5.522 1.00 0.00 H new ATOM 179 N TYR A 16 -6.102 5.777 -7.744 1.00 0.00 N ATOM 180 CA TYR A 16 -5.391 5.306 -8.933 1.00 0.00 C ATOM 181 C TYR A 16 -4.098 4.553 -8.582 1.00 0.00 C ATOM 182 O TYR A 16 -3.874 3.478 -9.140 1.00 0.00 O ATOM 183 CB TYR A 16 -5.178 6.464 -9.926 1.00 0.00 C ATOM 184 CG TYR A 16 -4.556 7.725 -9.353 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.377 8.741 -8.829 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.160 7.891 -9.351 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.810 9.878 -8.231 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.587 9.037 -8.769 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.409 10.028 -8.193 1.00 0.00 C ATOM 190 OH TYR A 16 -2.846 11.113 -7.601 1.00 0.00 O ATOM 0 H TYR A 16 -5.868 6.731 -7.471 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.016 4.567 -9.435 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.546 6.108 -10.739 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.142 6.724 -10.363 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.451 8.645 -8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.527 7.138 -9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.447 10.637 -7.801 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.514 9.158 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.425 11.427 -6.876 1.00 0.00 H new ATOM 200 N ILE A 17 -3.276 5.096 -7.670 1.00 0.00 N ATOM 201 CA ILE A 17 -1.900 4.693 -7.324 1.00 0.00 C ATOM 202 C ILE A 17 -1.068 4.283 -8.562 1.00 0.00 C ATOM 203 O ILE A 17 -1.115 3.138 -9.021 1.00 0.00 O ATOM 204 CB ILE A 17 -1.838 3.640 -6.191 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.598 4.037 -4.905 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.366 3.328 -5.843 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.196 5.370 -4.268 1.00 0.00 C ATOM 0 H ILE A 17 -3.579 5.892 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.427 5.588 -6.920 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.344 2.757 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.663 4.074 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.458 3.248 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.330 2.586 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.141 2.937 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.131 4.240 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.796 5.542 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.141 5.340 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.365 6.179 -4.979 1.00 0.00 H new ATOM 219 N PRO A 18 -0.277 5.207 -9.119 1.00 0.00 N ATOM 220 CA PRO A 18 0.428 5.016 -10.374 1.00 0.00 C ATOM 221 C PRO A 18 1.713 4.211 -10.172 1.00 0.00 C ATOM 222 O PRO A 18 2.689 4.706 -9.614 1.00 0.00 O ATOM 223 CB PRO A 18 0.690 6.444 -10.850 1.00 0.00 C ATOM 224 CG PRO A 18 0.892 7.237 -9.556 1.00 0.00 C ATOM 225 CD PRO A 18 0.043 6.503 -8.543 1.00 0.00 C ATOM 0 HA PRO A 18 -0.135 4.438 -11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.570 6.496 -11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.149 6.832 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.941 7.257 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.573 8.273 -9.669 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.580 6.385 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.866 7.063 -8.323 1.00 0.00 H new ATOM 233 N LEU A 19 1.735 2.964 -10.644 1.00 0.00 N ATOM 234 CA LEU A 19 2.865 2.061 -10.447 1.00 0.00 C ATOM 235 C LEU A 19 4.145 2.624 -11.057 1.00 0.00 C ATOM 236 O LEU A 19 5.221 2.461 -10.489 1.00 0.00 O ATOM 237 CB LEU A 19 2.548 0.660 -11.010 1.00 0.00 C ATOM 238 CG LEU A 19 1.439 -0.078 -10.234 1.00 0.00 C ATOM 239 CD1 LEU A 19 1.159 -1.474 -10.808 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.804 -0.198 -8.758 1.00 0.00 C ATOM 0 H LEU A 19 0.967 2.553 -11.175 1.00 0.00 H new ATOM 0 HA LEU A 19 3.033 1.966 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.248 0.756 -12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.456 0.056 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 19 0.532 0.517 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.371 -1.954 -10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.842 -1.383 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.066 -2.077 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.009 -0.722 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.735 -0.756 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.929 0.797 -8.332 1.00 0.00 H new ATOM 252 N ASP A 20 4.053 3.321 -12.188 1.00 0.00 N ATOM 253 CA ASP A 20 5.254 3.784 -12.878 1.00 0.00 C ATOM 254 C ASP A 20 5.913 4.991 -12.194 1.00 0.00 C ATOM 255 O ASP A 20 7.081 5.290 -12.448 1.00 0.00 O ATOM 256 CB ASP A 20 4.961 4.045 -14.356 1.00 0.00 C ATOM 257 CG ASP A 20 6.079 3.438 -15.196 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.136 2.185 -15.291 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.865 4.201 -15.790 1.00 0.00 O ATOM 0 H ASP A 20 3.174 3.574 -12.640 1.00 0.00 H new ATOM 0 HA ASP A 20 5.988 2.981 -12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.002 3.608 -14.633 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.889 5.117 -14.542 1.00 0.00 H new ATOM 264 N ARG A 21 5.206 5.677 -11.288 1.00 0.00 N ATOM 265 CA ARG A 21 5.761 6.694 -10.391 1.00 0.00 C ATOM 266 C ARG A 21 6.308 6.095 -9.092 1.00 0.00 C ATOM 267 O ARG A 21 6.992 6.812 -8.353 1.00 0.00 O ATOM 268 CB ARG A 21 4.659 7.721 -10.103 1.00 0.00 C ATOM 269 CG ARG A 21 4.635 8.924 -11.051 1.00 0.00 C ATOM 270 CD ARG A 21 5.357 10.110 -10.406 1.00 0.00 C ATOM 271 NE ARG A 21 5.476 11.263 -11.319 1.00 0.00 N ATOM 272 CZ ARG A 21 6.451 12.186 -11.309 1.00 0.00 C ATOM 273 NH1 ARG A 21 7.526 12.066 -10.536 1.00 0.00 N ATOM 274 NH2 ARG A 21 6.346 13.274 -12.057 1.00 0.00 N ATOM 0 H ARG A 21 4.205 5.535 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 21 6.611 7.171 -10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.693 7.219 -10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.778 8.084 -9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.115 8.664 -11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.605 9.196 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.818 10.415 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.352 9.797 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 21 4.748 11.369 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.628 11.254 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.249 12.786 -10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.523 13.413 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.088 13.973 -12.047 1.00 0.00 H new ATOM 288 N LEU A 22 6.069 4.813 -8.806 1.00 0.00 N ATOM 289 CA LEU A 22 6.697 4.093 -7.700 1.00 0.00 C ATOM 290 C LEU A 22 7.924 3.340 -8.240 1.00 0.00 C ATOM 291 O LEU A 22 8.229 3.368 -9.438 1.00 0.00 O ATOM 292 CB LEU A 22 5.714 3.096 -7.043 1.00 0.00 C ATOM 293 CG LEU A 22 4.333 3.625 -6.615 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.351 2.487 -6.336 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.406 4.541 -5.393 1.00 0.00 C ATOM 0 H LEU A 22 5.423 4.238 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 22 6.996 4.811 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.556 2.273 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.200 2.678 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 22 3.970 4.211 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.389 2.902 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.223 1.887 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.740 1.859 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.404 4.885 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.829 3.992 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.037 5.400 -5.620 1.00 0.00 H new ATOM 307 N SER A 23 8.585 2.601 -7.357 1.00 0.00 N ATOM 308 CA SER A 23 9.699 1.703 -7.598 1.00 0.00 C ATOM 309 C SER A 23 9.247 0.330 -7.095 1.00 0.00 C ATOM 310 O SER A 23 9.188 0.127 -5.886 1.00 0.00 O ATOM 311 CB SER A 23 10.936 2.254 -6.853 1.00 0.00 C ATOM 312 OG SER A 23 12.035 2.416 -7.724 1.00 0.00 O ATOM 0 H SER A 23 8.330 2.619 -6.370 1.00 0.00 H new ATOM 0 HA SER A 23 9.981 1.619 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.689 3.212 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.208 1.575 -6.045 1.00 0.00 H new ATOM 0 HG SER A 23 12.800 2.767 -7.223 1.00 0.00 H new ATOM 318 N ILE A 24 8.833 -0.586 -7.980 1.00 0.00 N ATOM 319 CA ILE A 24 8.297 -1.894 -7.587 1.00 0.00 C ATOM 320 C ILE A 24 9.400 -2.924 -7.786 1.00 0.00 C ATOM 321 O ILE A 24 10.109 -2.881 -8.802 1.00 0.00 O ATOM 322 CB ILE A 24 7.023 -2.277 -8.388 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.840 -1.325 -8.136 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.556 -3.702 -8.044 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.888 -0.072 -8.994 1.00 0.00 C ATOM 0 H ILE A 24 8.861 -0.440 -8.989 1.00 0.00 H new ATOM 0 HA ILE A 24 7.989 -1.858 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 24 7.315 -2.206 -9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.908 -1.855 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.831 -1.038 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.662 -3.941 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.346 -4.413 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.328 -3.763 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.027 0.557 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.805 0.479 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.867 -0.351 -10.047 1.00 0.00 H new ATOM 337 N SER A 25 9.489 -3.892 -6.872 1.00 0.00 N ATOM 338 CA SER A 25 10.397 -5.019 -7.046 1.00 0.00 C ATOM 339 C SER A 25 9.826 -6.298 -6.451 1.00 0.00 C ATOM 340 O SER A 25 9.625 -6.379 -5.238 1.00 0.00 O ATOM 341 CB SER A 25 11.769 -4.667 -6.462 1.00 0.00 C ATOM 342 OG SER A 25 12.759 -5.467 -7.075 1.00 0.00 O ATOM 0 H SER A 25 8.945 -3.915 -6.009 1.00 0.00 H new ATOM 0 HA SER A 25 10.520 -5.213 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.986 -3.611 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.770 -4.830 -5.384 1.00 0.00 H new ATOM 0 HG SER A 25 13.638 -5.242 -6.704 1.00 0.00 H new ATOM 348 N TYR A 26 9.587 -7.316 -7.283 1.00 0.00 N ATOM 349 CA TYR A 26 9.235 -8.628 -6.753 1.00 0.00 C ATOM 350 C TYR A 26 10.497 -9.337 -6.269 1.00 0.00 C ATOM 351 O TYR A 26 11.572 -9.150 -6.850 1.00 0.00 O ATOM 352 CB TYR A 26 8.425 -9.472 -7.752 1.00 0.00 C ATOM 353 CG TYR A 26 7.349 -8.660 -8.451 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.522 -7.821 -7.683 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.261 -8.618 -9.855 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.677 -6.898 -8.302 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.384 -7.715 -10.484 1.00 0.00 C ATOM 358 CZ TYR A 26 5.591 -6.839 -9.708 1.00 0.00 C ATOM 359 OH TYR A 26 4.763 -5.928 -10.288 1.00 0.00 O ATOM 0 H TYR A 26 9.630 -7.257 -8.300 1.00 0.00 H new ATOM 0 HA TYR A 26 8.571 -8.489 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.099 -9.896 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.963 -10.308 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.541 -7.891 -6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.869 -9.281 -10.452 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.085 -6.225 -7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.317 -7.691 -11.562 1.00 0.00 H new ATOM 0 HH TYR A 26 4.816 -6.012 -11.263 1.00 0.00 H new ATOM 369 N CYS A 27 10.392 -10.152 -5.220 1.00 0.00 N ATOM 370 CA CYS A 27 11.527 -10.834 -4.602 1.00 0.00 C ATOM 371 C CYS A 27 11.131 -12.264 -4.225 1.00 0.00 C ATOM 372 O CYS A 27 9.987 -12.686 -4.435 1.00 0.00 O ATOM 373 CB CYS A 27 12.010 -10.009 -3.393 1.00 0.00 C ATOM 374 SG CYS A 27 13.669 -10.468 -2.812 1.00 0.00 S ATOM 0 H CYS A 27 9.501 -10.360 -4.769 1.00 0.00 H new ATOM 0 HA CYS A 27 12.359 -10.912 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.008 -8.952 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.301 -10.131 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 27 13.995 -9.724 -1.797 1.00 0.00 H new ATOM 380 N ARG A 28 12.077 -13.004 -3.647 1.00 0.00 N ATOM 381 CA ARG A 28 11.858 -14.322 -3.054 1.00 0.00 C ATOM 382 C ARG A 28 10.947 -14.275 -1.828 1.00 0.00 C ATOM 383 O ARG A 28 10.292 -15.270 -1.538 1.00 0.00 O ATOM 384 CB ARG A 28 13.208 -14.947 -2.692 1.00 0.00 C ATOM 385 CG ARG A 28 13.951 -14.250 -1.539 1.00 0.00 C ATOM 386 CD ARG A 28 15.229 -15.010 -1.230 1.00 0.00 C ATOM 387 NE ARG A 28 16.291 -14.780 -2.229 1.00 0.00 N ATOM 388 CZ ARG A 28 17.290 -13.887 -2.161 1.00 0.00 C ATOM 389 NH1 ARG A 28 17.352 -13.010 -1.165 1.00 0.00 N ATOM 390 NH2 ARG A 28 18.236 -13.874 -3.095 1.00 0.00 N ATOM 0 H ARG A 28 13.046 -12.693 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 28 11.348 -14.936 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.049 -15.992 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.846 -14.937 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.184 -13.221 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.316 -14.210 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.593 -14.714 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.009 -16.076 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 28 16.262 -15.365 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.635 -13.010 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.117 -12.337 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.203 -14.543 -3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.995 -13.195 -3.043 1.00 0.00 H new ATOM 404 N SER A 29 10.994 -13.164 -1.088 1.00 0.00 N ATOM 405 CA SER A 29 10.591 -12.884 0.293 1.00 0.00 C ATOM 406 C SER A 29 11.704 -12.012 0.874 1.00 0.00 C ATOM 407 O SER A 29 11.777 -10.853 0.461 1.00 0.00 O ATOM 408 CB SER A 29 10.106 -14.077 1.131 1.00 0.00 C ATOM 409 OG SER A 29 10.947 -15.202 1.006 1.00 0.00 O ATOM 0 H SER A 29 11.372 -12.315 -1.509 1.00 0.00 H new ATOM 0 HA SER A 29 9.647 -12.339 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.052 -13.783 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.096 -14.347 0.823 1.00 0.00 H new ATOM 0 HG SER A 29 10.779 -15.642 0.147 1.00 0.00 H new ATOM 415 N SER A 30 12.610 -12.534 1.703 1.00 0.00 N ATOM 416 CA SER A 30 13.690 -11.775 2.327 1.00 0.00 C ATOM 417 C SER A 30 15.019 -12.456 1.978 1.00 0.00 C ATOM 418 O SER A 30 15.630 -12.124 0.956 1.00 0.00 O ATOM 419 CB SER A 30 13.395 -11.639 3.832 1.00 0.00 C ATOM 420 OG SER A 30 14.356 -10.849 4.507 1.00 0.00 O ATOM 0 H SER A 30 12.611 -13.520 1.964 1.00 0.00 H new ATOM 0 HA SER A 30 13.765 -10.755 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.408 -11.197 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.364 -12.631 4.283 1.00 0.00 H new ATOM 0 HG SER A 30 14.123 -10.792 5.457 1.00 0.00 H new ATOM 426 N GLY A 31 15.476 -13.430 2.764 1.00 0.00 N ATOM 427 CA GLY A 31 16.630 -14.262 2.465 1.00 0.00 C ATOM 428 C GLY A 31 16.340 -15.696 2.901 1.00 0.00 C ATOM 429 O GLY A 31 15.594 -15.881 3.867 1.00 0.00 O ATOM 0 H GLY A 31 15.036 -13.665 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.849 -14.231 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 31 17.511 -13.883 2.983 1.00 0.00 H new ATOM 433 N PRO A 32 16.913 -16.708 2.225 1.00 0.00 N ATOM 434 CA PRO A 32 16.756 -18.091 2.643 1.00 0.00 C ATOM 435 C PRO A 32 17.497 -18.318 3.965 1.00 0.00 C ATOM 436 O PRO A 32 18.399 -17.560 4.333 1.00 0.00 O ATOM 437 CB PRO A 32 17.325 -18.929 1.496 1.00 0.00 C ATOM 438 CG PRO A 32 18.389 -18.019 0.884 1.00 0.00 C ATOM 439 CD PRO A 32 17.827 -16.613 1.095 1.00 0.00 C ATOM 0 HA PRO A 32 15.718 -18.367 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.755 -19.863 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.555 -19.191 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 32 19.353 -18.143 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 32 18.541 -18.235 -0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 32 18.626 -15.901 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 32 17.308 -16.263 0.203 1.00 0.00 H new ATOM 447 N GLY A 33 17.128 -19.383 4.670 1.00 0.00 N ATOM 448 CA GLY A 33 17.611 -19.650 6.020 1.00 0.00 C ATOM 449 C GLY A 33 16.596 -20.410 6.869 1.00 0.00 C ATOM 450 O GLY A 33 16.678 -20.344 8.094 1.00 0.00 O ATOM 0 H GLY A 33 16.481 -20.089 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 33 18.535 -20.226 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.853 -18.706 6.508 1.00 0.00 H new ATOM 454 N GLY A 34 15.633 -21.089 6.233 1.00 0.00 N ATOM 455 CA GLY A 34 14.575 -21.855 6.872 1.00 0.00 C ATOM 456 C GLY A 34 13.602 -20.945 7.587 1.00 0.00 C ATOM 457 O GLY A 34 13.902 -20.462 8.671 1.00 0.00 O ATOM 0 H GLY A 34 15.574 -21.116 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.045 -22.444 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.009 -22.559 7.582 1.00 0.00 H new ATOM 461 N GLN A 35 12.451 -20.672 6.973 1.00 0.00 N ATOM 462 CA GLN A 35 11.442 -19.860 7.632 1.00 0.00 C ATOM 463 C GLN A 35 10.055 -20.295 7.163 1.00 0.00 C ATOM 464 O GLN A 35 9.433 -21.151 7.788 1.00 0.00 O ATOM 465 CB GLN A 35 11.773 -18.370 7.414 1.00 0.00 C ATOM 466 CG GLN A 35 11.455 -17.532 8.655 1.00 0.00 C ATOM 467 CD GLN A 35 11.779 -16.058 8.438 1.00 0.00 C ATOM 468 OE1 GLN A 35 11.457 -15.483 7.400 1.00 0.00 O ATOM 469 NE2 GLN A 35 12.407 -15.411 9.400 1.00 0.00 N ATOM 0 H GLN A 35 12.202 -20.996 6.039 1.00 0.00 H new ATOM 0 HA GLN A 35 11.441 -20.007 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.829 -18.264 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.205 -17.992 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.400 -17.640 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.025 -17.909 9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.669 -15.899 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.631 -14.422 9.288 1.00 0.00 H new ATOM 478 N ASN A 36 9.582 -19.751 6.041 1.00 0.00 N ATOM 479 CA ASN A 36 8.249 -19.994 5.488 1.00 0.00 C ATOM 480 C ASN A 36 8.363 -20.116 3.978 1.00 0.00 C ATOM 481 O ASN A 36 7.690 -20.959 3.388 1.00 0.00 O ATOM 482 CB ASN A 36 7.290 -18.850 5.853 1.00 0.00 C ATOM 483 CG ASN A 36 7.243 -18.633 7.351 1.00 0.00 C ATOM 484 OD1 ASN A 36 6.559 -19.348 8.077 1.00 0.00 O ATOM 485 ND2 ASN A 36 8.019 -17.693 7.858 1.00 0.00 N ATOM 0 H ASN A 36 10.134 -19.108 5.474 1.00 0.00 H new ATOM 0 HA ASN A 36 7.847 -20.916 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.610 -17.932 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.290 -19.078 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.057 -17.552 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.581 -17.108 7.240 1.00 0.00 H new ATOM 492 N VAL A 37 9.235 -19.297 3.374 1.00 0.00 N ATOM 493 CA VAL A 37 9.822 -19.389 2.050 1.00 0.00 C ATOM 494 C VAL A 37 9.978 -20.855 1.639 1.00 0.00 C ATOM 495 O VAL A 37 10.886 -21.582 2.060 1.00 0.00 O ATOM 496 CB VAL A 37 11.095 -18.514 1.994 1.00 0.00 C ATOM 497 CG1 VAL A 37 12.132 -18.786 3.100 1.00 0.00 C ATOM 498 CG2 VAL A 37 11.757 -18.559 0.609 1.00 0.00 C ATOM 0 H VAL A 37 9.576 -18.469 3.862 1.00 0.00 H new ATOM 0 HA VAL A 37 9.166 -18.975 1.284 1.00 0.00 H new ATOM 0 HB VAL A 37 10.728 -17.506 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.985 -18.121 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.679 -18.609 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.467 -19.822 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.648 -17.931 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.037 -19.586 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.056 -18.192 -0.141 1.00 0.00 H new ATOM 508 N ASN A 38 8.997 -21.286 0.856 1.00 0.00 N ATOM 509 CA ASN A 38 8.913 -22.608 0.262 1.00 0.00 C ATOM 510 C ASN A 38 9.627 -22.565 -1.078 1.00 0.00 C ATOM 511 O ASN A 38 10.750 -23.055 -1.167 1.00 0.00 O ATOM 512 CB ASN A 38 7.467 -23.140 0.192 1.00 0.00 C ATOM 513 CG ASN A 38 7.144 -24.015 1.406 1.00 0.00 C ATOM 514 OD1 ASN A 38 7.831 -25.008 1.649 1.00 0.00 O ATOM 515 ND2 ASN A 38 6.135 -23.682 2.192 1.00 0.00 N ATOM 0 H ASN A 38 8.204 -20.694 0.609 1.00 0.00 H new ATOM 0 HA ASN A 38 9.416 -23.337 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.770 -22.303 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.332 -23.717 -0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.918 -24.250 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.574 -22.857 1.980 1.00 0.00 H new ATOM 522 N LYS A 39 9.037 -21.954 -2.112 1.00 0.00 N ATOM 523 CA LYS A 39 9.667 -21.796 -3.413 1.00 0.00 C ATOM 524 C LYS A 39 9.317 -20.434 -3.995 1.00 0.00 C ATOM 525 O LYS A 39 10.080 -19.489 -3.815 1.00 0.00 O ATOM 526 CB LYS A 39 9.284 -22.952 -4.347 1.00 0.00 C ATOM 527 CG LYS A 39 9.909 -24.308 -3.970 1.00 0.00 C ATOM 528 CD LYS A 39 10.008 -25.263 -5.172 1.00 0.00 C ATOM 529 CE LYS A 39 8.685 -25.395 -5.942 1.00 0.00 C ATOM 530 NZ LYS A 39 8.814 -26.251 -7.137 1.00 0.00 N ATOM 0 H LYS A 39 8.100 -21.554 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 39 10.750 -21.835 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.199 -23.055 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.585 -22.697 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.904 -24.144 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.312 -24.775 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.783 -24.906 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.319 -26.248 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.923 -25.809 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.342 -24.405 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.896 -26.310 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.521 -25.843 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.115 -27.204 -6.850 1.00 0.00 H new ATOM 544 N VAL A 40 8.193 -20.373 -4.712 1.00 0.00 N ATOM 545 CA VAL A 40 7.809 -19.274 -5.589 1.00 0.00 C ATOM 546 C VAL A 40 7.659 -18.000 -4.755 1.00 0.00 C ATOM 547 O VAL A 40 8.406 -17.049 -4.986 1.00 0.00 O ATOM 548 CB VAL A 40 6.539 -19.647 -6.394 1.00 0.00 C ATOM 549 CG1 VAL A 40 6.218 -18.579 -7.447 1.00 0.00 C ATOM 550 CG2 VAL A 40 6.673 -20.992 -7.129 1.00 0.00 C ATOM 0 H VAL A 40 7.499 -21.121 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 40 8.584 -19.082 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 40 5.740 -19.719 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.322 -18.868 -7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.049 -17.622 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.055 -18.488 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.753 -21.201 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.508 -20.943 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.853 -21.786 -6.404 1.00 0.00 H new ATOM 560 N ASN A 41 6.740 -18.014 -3.777 1.00 0.00 N ATOM 561 CA ASN A 41 6.476 -17.038 -2.707 1.00 0.00 C ATOM 562 C ASN A 41 6.067 -15.625 -3.142 1.00 0.00 C ATOM 563 O ASN A 41 5.179 -15.051 -2.519 1.00 0.00 O ATOM 564 CB ASN A 41 7.630 -17.026 -1.699 1.00 0.00 C ATOM 565 CG ASN A 41 7.503 -18.199 -0.741 1.00 0.00 C ATOM 566 OD1 ASN A 41 7.923 -19.322 -1.028 1.00 0.00 O ATOM 567 ND2 ASN A 41 6.885 -17.978 0.401 1.00 0.00 N ATOM 0 H ASN A 41 6.091 -18.798 -3.709 1.00 0.00 H new ATOM 0 HA ASN A 41 5.568 -17.401 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.583 -17.079 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.625 -16.090 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.748 -18.742 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.543 -17.043 0.623 1.00 0.00 H new ATOM 574 N SER A 42 6.617 -15.118 -4.242 1.00 0.00 N ATOM 575 CA SER A 42 6.251 -13.900 -4.951 1.00 0.00 C ATOM 576 C SER A 42 6.121 -12.662 -4.059 1.00 0.00 C ATOM 577 O SER A 42 5.052 -12.059 -3.974 1.00 0.00 O ATOM 578 CB SER A 42 4.970 -14.159 -5.742 1.00 0.00 C ATOM 579 OG SER A 42 5.039 -15.317 -6.561 1.00 0.00 O ATOM 0 H SER A 42 7.397 -15.591 -4.697 1.00 0.00 H new ATOM 0 HA SER A 42 7.073 -13.658 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.137 -14.263 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.756 -13.292 -6.368 1.00 0.00 H new ATOM 0 HG SER A 42 4.133 -15.644 -6.743 1.00 0.00 H new ATOM 585 N LYS A 43 7.221 -12.230 -3.439 1.00 0.00 N ATOM 586 CA LYS A 43 7.182 -11.037 -2.599 1.00 0.00 C ATOM 587 C LYS A 43 7.012 -9.814 -3.467 1.00 0.00 C ATOM 588 O LYS A 43 7.486 -9.849 -4.598 1.00 0.00 O ATOM 589 CB LYS A 43 8.423 -11.012 -1.704 1.00 0.00 C ATOM 590 CG LYS A 43 8.592 -9.839 -0.713 1.00 0.00 C ATOM 591 CD LYS A 43 9.280 -8.583 -1.251 1.00 0.00 C ATOM 592 CE LYS A 43 10.255 -7.974 -0.239 1.00 0.00 C ATOM 593 NZ LYS A 43 11.675 -8.246 -0.532 1.00 0.00 N ATOM 0 H LYS A 43 8.134 -12.681 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 43 6.323 -11.048 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.435 -11.937 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.300 -11.028 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.605 -9.557 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.160 -10.197 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.818 -8.830 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.525 -7.843 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.102 -6.895 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.020 -8.359 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.274 -7.608 0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.897 -9.232 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.857 -8.090 -1.544 1.00 0.00 H new ATOM 607 N ALA A 44 6.417 -8.738 -2.950 1.00 0.00 N ATOM 608 CA ALA A 44 6.319 -7.467 -3.638 1.00 0.00 C ATOM 609 C ALA A 44 6.832 -6.401 -2.686 1.00 0.00 C ATOM 610 O ALA A 44 6.382 -6.315 -1.544 1.00 0.00 O ATOM 611 CB ALA A 44 4.872 -7.212 -4.055 1.00 0.00 C ATOM 0 H ALA A 44 5.985 -8.734 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 44 6.915 -7.458 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.806 -6.255 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.540 -8.008 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.236 -7.191 -3.170 1.00 0.00 H new ATOM 617 N GLU A 45 7.847 -5.666 -3.118 1.00 0.00 N ATOM 618 CA GLU A 45 8.311 -4.454 -2.481 1.00 0.00 C ATOM 619 C GLU A 45 7.841 -3.291 -3.350 1.00 0.00 C ATOM 620 O GLU A 45 7.735 -3.416 -4.576 1.00 0.00 O ATOM 621 CB GLU A 45 9.838 -4.529 -2.387 1.00 0.00 C ATOM 622 CG GLU A 45 10.505 -3.326 -1.717 1.00 0.00 C ATOM 623 CD GLU A 45 12.005 -3.383 -1.973 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.656 -4.350 -1.501 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.528 -2.502 -2.682 1.00 0.00 O ATOM 0 H GLU A 45 8.384 -5.910 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 45 7.920 -4.321 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.109 -5.429 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.244 -4.637 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.091 -2.398 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.306 -3.334 -0.645 1.00 0.00 H new ATOM 632 N VAL A 46 7.599 -2.161 -2.698 1.00 0.00 N ATOM 633 CA VAL A 46 7.346 -0.868 -3.297 1.00 0.00 C ATOM 634 C VAL A 46 8.168 0.141 -2.506 1.00 0.00 C ATOM 635 O VAL A 46 8.036 0.237 -1.280 1.00 0.00 O ATOM 636 CB VAL A 46 5.844 -0.531 -3.263 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.537 0.840 -3.881 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.037 -1.575 -4.039 1.00 0.00 C ATOM 0 H VAL A 46 7.574 -2.126 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 46 7.633 -0.855 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 46 5.563 -0.522 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.465 1.029 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.068 1.615 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.860 0.850 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.978 -1.318 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.370 -1.594 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.187 -2.557 -3.591 1.00 0.00 H new ATOM 648 N ARG A 47 8.963 0.940 -3.207 1.00 0.00 N ATOM 649 CA ARG A 47 9.649 2.114 -2.697 1.00 0.00 C ATOM 650 C ARG A 47 9.112 3.322 -3.452 1.00 0.00 C ATOM 651 O ARG A 47 8.778 3.199 -4.628 1.00 0.00 O ATOM 652 CB ARG A 47 11.161 1.904 -2.862 1.00 0.00 C ATOM 653 CG ARG A 47 12.032 3.143 -2.671 1.00 0.00 C ATOM 654 CD ARG A 47 13.488 2.729 -2.437 1.00 0.00 C ATOM 655 NE ARG A 47 14.102 2.039 -3.595 1.00 0.00 N ATOM 656 CZ ARG A 47 15.231 2.376 -4.245 1.00 0.00 C ATOM 657 NH1 ARG A 47 15.895 3.488 -3.975 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.721 1.566 -5.173 1.00 0.00 N ATOM 0 H ARG A 47 9.154 0.776 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 47 9.471 2.283 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.482 1.145 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.346 1.504 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.964 3.784 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.670 3.725 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.076 3.616 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.535 2.074 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 47 13.613 1.213 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.554 4.123 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.748 3.710 -4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.243 0.692 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.576 1.817 -5.669 1.00 0.00 H new ATOM 672 N PHE A 48 9.009 4.470 -2.791 1.00 0.00 N ATOM 673 CA PHE A 48 8.895 5.756 -3.456 1.00 0.00 C ATOM 674 C PHE A 48 9.549 6.823 -2.587 1.00 0.00 C ATOM 675 O PHE A 48 9.379 6.806 -1.366 1.00 0.00 O ATOM 676 CB PHE A 48 7.433 6.090 -3.787 1.00 0.00 C ATOM 677 CG PHE A 48 6.437 6.083 -2.637 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.822 4.880 -2.236 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.082 7.287 -1.999 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.822 4.884 -1.247 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.101 7.286 -0.990 1.00 0.00 C ATOM 682 CZ PHE A 48 4.438 6.094 -0.650 1.00 0.00 C ATOM 0 H PHE A 48 9.003 4.531 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 48 9.417 5.718 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.409 7.077 -4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.086 5.379 -4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.121 3.948 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.563 8.211 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.351 3.959 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.857 8.204 -0.475 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.634 6.110 0.070 1.00 0.00 H new ATOM 692 N HIS A 49 10.288 7.757 -3.184 1.00 0.00 N ATOM 693 CA HIS A 49 10.617 9.036 -2.579 1.00 0.00 C ATOM 694 C HIS A 49 9.330 9.790 -2.280 1.00 0.00 C ATOM 695 O HIS A 49 8.689 10.357 -3.159 1.00 0.00 O ATOM 696 CB HIS A 49 11.588 9.815 -3.475 1.00 0.00 C ATOM 697 CG HIS A 49 12.239 10.971 -2.767 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.542 12.192 -3.319 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.655 10.990 -1.463 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.088 12.943 -2.353 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.205 12.242 -1.209 1.00 0.00 N ATOM 0 H HIS A 49 10.679 7.639 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 49 11.135 8.891 -1.631 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.360 9.138 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.051 10.186 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.571 10.177 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.393 13.972 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.615 12.564 -0.332 1.00 0.00 H new ATOM 709 N LEU A 50 8.957 9.777 -1.002 1.00 0.00 N ATOM 710 CA LEU A 50 7.755 10.400 -0.483 1.00 0.00 C ATOM 711 C LEU A 50 7.768 11.893 -0.810 1.00 0.00 C ATOM 712 O LEU A 50 6.746 12.424 -1.225 1.00 0.00 O ATOM 713 CB LEU A 50 7.676 10.040 1.015 1.00 0.00 C ATOM 714 CG LEU A 50 6.761 10.872 1.923 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.316 12.281 2.140 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.301 10.853 1.467 1.00 0.00 C ATOM 0 H LEU A 50 9.507 9.314 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 50 6.839 10.035 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.359 9.000 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.685 10.095 1.422 1.00 0.00 H new ATOM 0 HG LEU A 50 6.755 10.393 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.642 12.842 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.299 12.217 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.403 12.790 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.700 11.458 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.230 11.260 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.932 9.827 1.471 1.00 0.00 H new ATOM 728 N ALA A 51 8.916 12.565 -0.678 1.00 0.00 N ATOM 729 CA ALA A 51 9.002 13.989 -0.970 1.00 0.00 C ATOM 730 C ALA A 51 8.716 14.266 -2.453 1.00 0.00 C ATOM 731 O ALA A 51 8.071 15.255 -2.781 1.00 0.00 O ATOM 732 CB ALA A 51 10.360 14.522 -0.524 1.00 0.00 C ATOM 0 H ALA A 51 9.792 12.143 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 51 8.235 14.522 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.422 15.588 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.478 14.365 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.151 13.995 -1.058 1.00 0.00 H new ATOM 738 N SER A 52 9.120 13.360 -3.349 1.00 0.00 N ATOM 739 CA SER A 52 8.853 13.454 -4.779 1.00 0.00 C ATOM 740 C SER A 52 7.384 13.150 -5.124 1.00 0.00 C ATOM 741 O SER A 52 6.981 13.365 -6.275 1.00 0.00 O ATOM 742 CB SER A 52 9.794 12.481 -5.503 1.00 0.00 C ATOM 743 OG SER A 52 9.804 12.642 -6.906 1.00 0.00 O ATOM 0 H SER A 52 9.651 12.528 -3.091 1.00 0.00 H new ATOM 0 HA SER A 52 9.034 14.478 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.806 12.617 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.499 11.459 -5.265 1.00 0.00 H new ATOM 0 HG SER A 52 8.905 12.880 -7.214 1.00 0.00 H new ATOM 749 N ALA A 53 6.569 12.639 -4.197 1.00 0.00 N ATOM 750 CA ALA A 53 5.230 12.160 -4.495 1.00 0.00 C ATOM 751 C ALA A 53 4.248 13.332 -4.634 1.00 0.00 C ATOM 752 O ALA A 53 3.418 13.548 -3.762 1.00 0.00 O ATOM 753 CB ALA A 53 4.795 11.153 -3.423 1.00 0.00 C ATOM 0 H ALA A 53 6.828 12.548 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 53 5.232 11.645 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.790 10.794 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.487 10.311 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.798 11.637 -2.446 1.00 0.00 H new ATOM 759 N ASP A 54 4.289 14.058 -5.754 1.00 0.00 N ATOM 760 CA ASP A 54 3.346 15.146 -6.075 1.00 0.00 C ATOM 761 C ASP A 54 1.890 14.665 -6.091 1.00 0.00 C ATOM 762 O ASP A 54 0.962 15.453 -5.921 1.00 0.00 O ATOM 763 CB ASP A 54 3.619 15.683 -7.485 1.00 0.00 C ATOM 764 CG ASP A 54 4.626 16.813 -7.583 1.00 0.00 C ATOM 765 OD1 ASP A 54 4.351 17.961 -7.178 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.669 16.581 -8.238 1.00 0.00 O ATOM 0 H ASP A 54 4.989 13.908 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 54 3.489 15.904 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.968 14.857 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.676 16.025 -7.911 1.00 0.00 H new ATOM 771 N TRP A 55 1.684 13.373 -6.342 1.00 0.00 N ATOM 772 CA TRP A 55 0.386 12.716 -6.344 1.00 0.00 C ATOM 773 C TRP A 55 -0.171 12.541 -4.915 1.00 0.00 C ATOM 774 O TRP A 55 -1.328 12.138 -4.732 1.00 0.00 O ATOM 775 CB TRP A 55 0.557 11.381 -7.084 1.00 0.00 C ATOM 776 CG TRP A 55 1.586 10.450 -6.523 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.891 10.405 -6.871 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.407 9.420 -5.509 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.537 9.472 -6.087 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.670 8.834 -5.226 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.295 8.917 -4.806 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.818 7.802 -4.288 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.417 7.887 -3.861 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.683 7.336 -3.605 1.00 0.00 C ATOM 0 H TRP A 55 2.449 12.734 -6.557 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.355 13.328 -6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.404 10.867 -7.093 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.814 11.593 -8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.354 11.004 -7.641 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.537 9.277 -6.138 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.681 9.337 -5.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.790 7.372 -4.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.453 7.522 -3.336 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.785 6.546 -2.876 1.00 0.00 H new ATOM 795 N ILE A 56 0.639 12.812 -3.891 1.00 0.00 N ATOM 796 CA ILE A 56 0.241 12.956 -2.502 1.00 0.00 C ATOM 797 C ILE A 56 0.101 14.449 -2.227 1.00 0.00 C ATOM 798 O ILE A 56 0.834 15.286 -2.748 1.00 0.00 O ATOM 799 CB ILE A 56 1.266 12.258 -1.567 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.395 10.754 -1.895 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.885 12.412 -0.088 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.422 9.993 -1.047 1.00 0.00 C ATOM 0 H ILE A 56 1.642 12.943 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.713 12.468 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 56 2.223 12.750 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.420 10.284 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.664 10.648 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.627 11.910 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.851 13.470 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.094 11.965 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.440 8.946 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.410 10.430 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.147 10.061 0.005 1.00 0.00 H new ATOM 814 N GLU A 57 -0.889 14.743 -1.396 1.00 0.00 N ATOM 815 CA GLU A 57 -1.232 16.048 -0.878 1.00 0.00 C ATOM 816 C GLU A 57 -0.097 16.506 0.018 1.00 0.00 C ATOM 817 O GLU A 57 0.366 15.743 0.863 1.00 0.00 O ATOM 818 CB GLU A 57 -2.551 15.934 -0.084 1.00 0.00 C ATOM 819 CG GLU A 57 -3.569 15.010 -0.741 1.00 0.00 C ATOM 820 CD GLU A 57 -4.940 15.006 -0.058 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.655 16.028 -0.153 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.323 13.968 0.536 1.00 0.00 O ATOM 0 H GLU A 57 -1.515 14.019 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.373 16.773 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.333 15.569 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.988 16.926 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.694 15.307 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.173 13.994 -0.744 1.00 0.00 H new ATOM 829 N GLU A 58 0.268 17.779 -0.067 1.00 0.00 N ATOM 830 CA GLU A 58 1.190 18.411 0.859 1.00 0.00 C ATOM 831 C GLU A 58 0.948 18.061 2.344 1.00 0.00 C ATOM 832 O GLU A 58 1.912 17.713 3.044 1.00 0.00 O ATOM 833 CB GLU A 58 1.164 19.930 0.636 1.00 0.00 C ATOM 834 CG GLU A 58 2.454 20.559 1.159 1.00 0.00 C ATOM 835 CD GLU A 58 3.626 20.329 0.207 1.00 0.00 C ATOM 836 OE1 GLU A 58 4.214 19.225 0.243 1.00 0.00 O ATOM 837 OE2 GLU A 58 4.068 21.269 -0.483 1.00 0.00 O ATOM 0 H GLU A 58 -0.075 18.408 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 58 2.180 18.010 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.048 20.148 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.305 20.366 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.305 21.630 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.692 20.139 2.136 1.00 0.00 H new ATOM 844 N PRO A 59 -0.300 18.108 2.868 1.00 0.00 N ATOM 845 CA PRO A 59 -0.512 17.822 4.283 1.00 0.00 C ATOM 846 C PRO A 59 -0.316 16.339 4.621 1.00 0.00 C ATOM 847 O PRO A 59 -0.074 15.987 5.775 1.00 0.00 O ATOM 848 CB PRO A 59 -1.921 18.333 4.586 1.00 0.00 C ATOM 849 CG PRO A 59 -2.667 18.201 3.263 1.00 0.00 C ATOM 850 CD PRO A 59 -1.582 18.380 2.199 1.00 0.00 C ATOM 0 HA PRO A 59 0.227 18.320 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.397 17.744 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.903 19.367 4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.154 17.230 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.446 18.957 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.738 17.696 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.601 19.390 1.790 1.00 0.00 H new ATOM 858 N VAL A 60 -0.356 15.474 3.613 1.00 0.00 N ATOM 859 CA VAL A 60 -0.227 14.041 3.729 1.00 0.00 C ATOM 860 C VAL A 60 1.246 13.651 3.569 1.00 0.00 C ATOM 861 O VAL A 60 1.711 12.786 4.311 1.00 0.00 O ATOM 862 CB VAL A 60 -1.165 13.411 2.686 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.114 11.889 2.656 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.624 13.802 2.940 1.00 0.00 C ATOM 0 H VAL A 60 -0.486 15.777 2.648 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.525 13.668 4.709 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.807 13.798 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.802 11.517 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.101 11.563 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.403 11.496 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.261 13.340 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.926 13.458 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.725 14.886 2.886 1.00 0.00 H new ATOM 874 N ARG A 61 2.005 14.304 2.670 1.00 0.00 N ATOM 875 CA ARG A 61 3.428 14.024 2.460 1.00 0.00 C ATOM 876 C ARG A 61 4.152 14.080 3.796 1.00 0.00 C ATOM 877 O ARG A 61 4.728 13.088 4.244 1.00 0.00 O ATOM 878 CB ARG A 61 4.095 14.990 1.454 1.00 0.00 C ATOM 879 CG ARG A 61 3.654 14.773 0.000 1.00 0.00 C ATOM 880 CD ARG A 61 4.649 15.333 -1.030 1.00 0.00 C ATOM 881 NE ARG A 61 4.370 16.737 -1.364 1.00 0.00 N ATOM 882 CZ ARG A 61 4.868 17.410 -2.405 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.914 16.967 -3.090 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.310 18.554 -2.766 1.00 0.00 N ATOM 0 H ARG A 61 1.642 15.043 2.068 1.00 0.00 H new ATOM 0 HA ARG A 61 3.502 13.027 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.867 16.016 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.177 14.874 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.522 13.705 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.682 15.243 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.662 15.249 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.608 14.730 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 61 3.738 17.244 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.362 16.089 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.271 17.504 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.507 18.915 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.683 19.075 -3.559 1.00 0.00 H new ATOM 898 N GLN A 62 4.058 15.228 4.463 1.00 0.00 N ATOM 899 CA GLN A 62 4.747 15.461 5.721 1.00 0.00 C ATOM 900 C GLN A 62 4.241 14.507 6.800 1.00 0.00 C ATOM 901 O GLN A 62 5.009 14.181 7.702 1.00 0.00 O ATOM 902 CB GLN A 62 4.592 16.923 6.159 1.00 0.00 C ATOM 903 CG GLN A 62 3.181 17.207 6.668 1.00 0.00 C ATOM 904 CD GLN A 62 2.872 18.688 6.611 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.019 19.413 7.596 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.497 19.175 5.446 1.00 0.00 N ATOM 0 H GLN A 62 3.501 16.020 4.143 1.00 0.00 H new ATOM 0 HA GLN A 62 5.809 15.265 5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.315 17.148 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.817 17.581 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.456 16.657 6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.082 16.850 7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.383 18.553 4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.321 20.174 5.344 1.00 0.00 H new ATOM 915 N LYS A 63 2.975 14.062 6.738 1.00 0.00 N ATOM 916 CA LYS A 63 2.466 13.108 7.696 1.00 0.00 C ATOM 917 C LYS A 63 3.259 11.816 7.601 1.00 0.00 C ATOM 918 O LYS A 63 3.946 11.490 8.547 1.00 0.00 O ATOM 919 CB LYS A 63 0.976 12.859 7.498 1.00 0.00 C ATOM 920 CG LYS A 63 0.208 12.929 8.816 1.00 0.00 C ATOM 921 CD LYS A 63 -0.290 14.350 9.109 1.00 0.00 C ATOM 922 CE LYS A 63 -1.400 14.289 10.160 1.00 0.00 C ATOM 923 NZ LYS A 63 -2.248 15.498 10.147 1.00 0.00 N ATOM 0 H LYS A 63 2.300 14.355 6.032 1.00 0.00 H new ATOM 0 HA LYS A 63 2.587 13.522 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.574 13.597 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.829 11.879 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.641 12.246 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.851 12.594 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.532 14.969 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.663 14.813 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.020 13.411 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.956 14.169 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.986 15.412 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.663 16.335 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.694 15.599 9.213 1.00 0.00 H new ATOM 937 N ILE A 64 3.246 11.099 6.478 1.00 0.00 N ATOM 938 CA ILE A 64 4.010 9.888 6.205 1.00 0.00 C ATOM 939 C ILE A 64 5.487 10.092 6.568 1.00 0.00 C ATOM 940 O ILE A 64 6.111 9.160 7.079 1.00 0.00 O ATOM 941 CB ILE A 64 3.732 9.453 4.744 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.343 8.775 4.589 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.774 8.456 4.237 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.251 9.695 4.067 1.00 0.00 C ATOM 0 H ILE A 64 2.663 11.368 5.685 1.00 0.00 H new ATOM 0 HA ILE A 64 3.695 9.057 6.836 1.00 0.00 H new ATOM 0 HB ILE A 64 3.770 10.373 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.440 7.926 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.036 8.378 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.541 8.178 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.763 8.913 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.762 7.566 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.315 9.141 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.122 10.532 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.532 10.072 3.084 1.00 0.00 H new ATOM 956 N ALA A 65 6.024 11.301 6.389 1.00 0.00 N ATOM 957 CA ALA A 65 7.406 11.639 6.677 1.00 0.00 C ATOM 958 C ALA A 65 7.726 11.476 8.173 1.00 0.00 C ATOM 959 O ALA A 65 8.872 11.222 8.553 1.00 0.00 O ATOM 960 CB ALA A 65 7.649 13.079 6.203 1.00 0.00 C ATOM 0 H ALA A 65 5.487 12.090 6.029 1.00 0.00 H new ATOM 0 HA ALA A 65 8.072 10.958 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.682 13.360 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.460 13.146 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.978 13.755 6.733 1.00 0.00 H new ATOM 966 N LEU A 66 6.726 11.701 9.025 1.00 0.00 N ATOM 967 CA LEU A 66 6.747 11.604 10.477 1.00 0.00 C ATOM 968 C LEU A 66 6.110 10.306 10.971 1.00 0.00 C ATOM 969 O LEU A 66 6.745 9.512 11.666 1.00 0.00 O ATOM 970 CB LEU A 66 6.010 12.822 11.053 1.00 0.00 C ATOM 971 CG LEU A 66 6.626 14.172 10.636 1.00 0.00 C ATOM 972 CD1 LEU A 66 5.718 15.320 11.076 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.049 14.335 11.168 1.00 0.00 C ATOM 0 H LEU A 66 5.805 11.979 8.685 1.00 0.00 H new ATOM 0 HA LEU A 66 7.783 11.592 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.969 12.792 10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.008 12.754 12.141 1.00 0.00 H new ATOM 0 HG LEU A 66 6.701 14.194 9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.161 16.270 10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.741 15.212 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.603 15.298 12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.447 15.299 10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.038 14.286 12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.678 13.536 10.775 1.00 0.00 H new ATOM 985 N THR A 67 4.836 10.107 10.645 1.00 0.00 N ATOM 986 CA THR A 67 3.948 9.078 11.154 1.00 0.00 C ATOM 987 C THR A 67 4.480 7.697 10.781 1.00 0.00 C ATOM 988 O THR A 67 4.446 6.772 11.597 1.00 0.00 O ATOM 989 CB THR A 67 2.571 9.359 10.530 1.00 0.00 C ATOM 990 OG1 THR A 67 2.112 10.622 10.978 1.00 0.00 O ATOM 991 CG2 THR A 67 1.534 8.305 10.864 1.00 0.00 C ATOM 0 H THR A 67 4.367 10.708 9.967 1.00 0.00 H new ATOM 0 HA THR A 67 3.877 9.092 12.242 1.00 0.00 H new ATOM 0 HB THR A 67 2.700 9.343 9.448 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.495 11.328 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.586 8.565 10.392 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.869 7.335 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.400 8.256 11.945 1.00 0.00 H new ATOM 999 N HIS A 68 5.045 7.582 9.578 1.00 0.00 N ATOM 1000 CA HIS A 68 5.627 6.353 9.059 1.00 0.00 C ATOM 1001 C HIS A 68 7.117 6.580 8.812 1.00 0.00 C ATOM 1002 O HIS A 68 7.704 5.981 7.912 1.00 0.00 O ATOM 1003 CB HIS A 68 4.868 5.859 7.822 1.00 0.00 C ATOM 1004 CG HIS A 68 3.386 5.657 8.024 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.761 4.493 8.424 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.408 6.584 7.791 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.436 4.712 8.368 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.176 5.975 7.998 1.00 0.00 N ATOM 0 H HIS A 68 5.110 8.363 8.925 1.00 0.00 H new ATOM 0 HA HIS A 68 5.531 5.551 9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.015 6.575 7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.307 4.916 7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.566 7.611 7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.682 3.971 8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.257 6.403 7.890 1.00 0.00 H new ATOM 1016 N LYS A 69 7.768 7.430 9.612 1.00 0.00 N ATOM 1017 CA LYS A 69 9.207 7.578 9.578 1.00 0.00 C ATOM 1018 C LYS A 69 9.917 6.242 9.742 1.00 0.00 C ATOM 1019 O LYS A 69 10.915 6.027 9.061 1.00 0.00 O ATOM 1020 CB LYS A 69 9.605 8.559 10.669 1.00 0.00 C ATOM 1021 CG LYS A 69 11.121 8.724 10.702 1.00 0.00 C ATOM 1022 CD LYS A 69 11.520 9.896 11.595 1.00 0.00 C ATOM 1023 CE LYS A 69 12.576 10.703 10.865 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.896 10.033 10.882 1.00 0.00 N ATOM 0 H LYS A 69 7.304 8.028 10.296 1.00 0.00 H new ATOM 0 HA LYS A 69 9.512 7.962 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.131 9.524 10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.250 8.203 11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.583 7.808 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.496 8.887 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.653 10.517 11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.907 9.535 12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.263 10.861 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.663 11.687 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.589 10.618 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.208 9.905 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.820 9.105 10.420 1.00 0.00 H new ATOM 1038 N ASN A 70 9.400 5.330 10.568 1.00 0.00 N ATOM 1039 CA ASN A 70 9.958 3.994 10.725 1.00 0.00 C ATOM 1040 C ASN A 70 9.895 3.178 9.428 1.00 0.00 C ATOM 1041 O ASN A 70 10.568 2.158 9.304 1.00 0.00 O ATOM 1042 CB ASN A 70 9.174 3.278 11.838 1.00 0.00 C ATOM 1043 CG ASN A 70 9.785 1.942 12.216 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.122 0.904 12.231 1.00 0.00 O ATOM 1045 ND2 ASN A 70 11.049 1.969 12.576 1.00 0.00 N ATOM 0 H ASN A 70 8.579 5.503 11.148 1.00 0.00 H new ATOM 0 HA ASN A 70 11.013 4.085 10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.136 3.918 12.719 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.146 3.123 11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.511 1.112 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.568 2.847 12.551 1.00 0.00 H new ATOM 1052 N LYS A 71 9.059 3.592 8.470 1.00 0.00 N ATOM 1053 CA LYS A 71 8.878 2.959 7.164 1.00 0.00 C ATOM 1054 C LYS A 71 9.800 3.591 6.131 1.00 0.00 C ATOM 1055 O LYS A 71 10.243 2.926 5.195 1.00 0.00 O ATOM 1056 CB LYS A 71 7.420 3.033 6.706 1.00 0.00 C ATOM 1057 CG LYS A 71 6.504 2.628 7.860 1.00 0.00 C ATOM 1058 CD LYS A 71 5.173 2.007 7.457 1.00 0.00 C ATOM 1059 CE LYS A 71 5.251 0.635 6.775 1.00 0.00 C ATOM 1060 NZ LYS A 71 6.064 -0.339 7.544 1.00 0.00 N ATOM 0 H LYS A 71 8.466 4.413 8.591 1.00 0.00 H new ATOM 0 HA LYS A 71 9.140 1.906 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.182 4.044 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.261 2.374 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.038 1.919 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.304 3.510 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.554 1.913 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.662 2.696 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.243 0.240 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.678 0.752 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.001 -1.275 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.056 -0.028 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.705 -0.398 8.518 1.00 0.00 H new ATOM 1074 N ILE A 72 10.092 4.883 6.275 1.00 0.00 N ATOM 1075 CA ILE A 72 11.127 5.530 5.481 1.00 0.00 C ATOM 1076 C ILE A 72 12.447 4.898 5.886 1.00 0.00 C ATOM 1077 O ILE A 72 12.635 4.599 7.061 1.00 0.00 O ATOM 1078 CB ILE A 72 11.069 7.045 5.747 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.942 7.560 4.843 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.384 7.806 5.491 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.426 8.939 5.196 1.00 0.00 C ATOM 0 H ILE A 72 9.623 5.501 6.937 1.00 0.00 H new ATOM 0 HA ILE A 72 10.995 5.395 4.407 1.00 0.00 H new ATOM 0 HB ILE A 72 10.890 7.222 6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.299 7.573 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.112 6.855 4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.240 8.865 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.167 7.407 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.677 7.685 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.632 9.219 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.034 8.932 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.240 9.661 5.126 1.00 0.00 H new ATOM 1093 N ASN A 73 13.363 4.715 4.936 1.00 0.00 N ATOM 1094 CA ASN A 73 14.698 4.177 5.231 1.00 0.00 C ATOM 1095 C ASN A 73 15.520 5.195 6.034 1.00 0.00 C ATOM 1096 O ASN A 73 15.800 4.982 7.214 1.00 0.00 O ATOM 1097 CB ASN A 73 15.396 3.676 3.951 1.00 0.00 C ATOM 1098 CG ASN A 73 15.913 4.764 3.021 1.00 0.00 C ATOM 1099 OD1 ASN A 73 17.075 5.146 3.070 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.058 5.397 2.242 1.00 0.00 N ATOM 0 H ASN A 73 13.208 4.931 3.951 1.00 0.00 H new ATOM 0 HA ASN A 73 14.599 3.297 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.233 3.040 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.696 3.050 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.367 6.196 1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.087 5.088 2.193 1.00 0.00 H new ATOM 1107 N LYS A 74 15.861 6.320 5.407 1.00 0.00 N ATOM 1108 CA LYS A 74 16.669 7.414 5.924 1.00 0.00 C ATOM 1109 C LYS A 74 16.518 8.580 4.951 1.00 0.00 C ATOM 1110 O LYS A 74 16.242 9.695 5.380 1.00 0.00 O ATOM 1111 CB LYS A 74 18.149 6.979 6.041 1.00 0.00 C ATOM 1112 CG LYS A 74 18.982 7.668 7.133 1.00 0.00 C ATOM 1113 CD LYS A 74 19.082 9.199 7.058 1.00 0.00 C ATOM 1114 CE LYS A 74 18.003 9.860 7.927 1.00 0.00 C ATOM 1115 NZ LYS A 74 17.996 11.328 7.791 1.00 0.00 N ATOM 0 H LYS A 74 15.554 6.500 4.451 1.00 0.00 H new ATOM 0 HA LYS A 74 16.340 7.707 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.176 5.904 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.633 7.155 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.561 7.401 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.992 7.259 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.069 9.520 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.972 9.525 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.025 9.467 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.168 9.595 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.251 11.729 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.920 11.708 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.812 11.584 6.800 1.00 0.00 H new ATOM 1129 N ALA A 75 16.637 8.301 3.645 1.00 0.00 N ATOM 1130 CA ALA A 75 16.677 9.302 2.581 1.00 0.00 C ATOM 1131 C ALA A 75 15.328 9.972 2.286 1.00 0.00 C ATOM 1132 O ALA A 75 15.236 10.774 1.356 1.00 0.00 O ATOM 1133 CB ALA A 75 17.165 8.633 1.294 1.00 0.00 C ATOM 0 H ALA A 75 16.710 7.346 3.295 1.00 0.00 H new ATOM 0 HA ALA A 75 17.349 10.086 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.199 9.370 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.162 8.223 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.481 7.830 1.020 1.00 0.00 H new ATOM 1139 N GLY A 76 14.258 9.580 2.980 1.00 0.00 N ATOM 1140 CA GLY A 76 12.911 10.052 2.697 1.00 0.00 C ATOM 1141 C GLY A 76 12.178 9.143 1.710 1.00 0.00 C ATOM 1142 O GLY A 76 11.032 9.430 1.370 1.00 0.00 O ATOM 0 H GLY A 76 14.307 8.922 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.344 10.108 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.959 11.063 2.291 1.00 0.00 H new ATOM 1146 N GLU A 77 12.797 8.056 1.237 1.00 0.00 N ATOM 1147 CA GLU A 77 12.102 7.036 0.458 1.00 0.00 C ATOM 1148 C GLU A 77 11.395 6.101 1.430 1.00 0.00 C ATOM 1149 O GLU A 77 12.031 5.543 2.334 1.00 0.00 O ATOM 1150 CB GLU A 77 13.041 6.292 -0.504 1.00 0.00 C ATOM 1151 CG GLU A 77 13.772 7.289 -1.413 1.00 0.00 C ATOM 1152 CD GLU A 77 14.254 6.697 -2.731 1.00 0.00 C ATOM 1153 OE1 GLU A 77 15.055 5.743 -2.702 1.00 0.00 O ATOM 1154 OE2 GLU A 77 13.944 7.259 -3.801 1.00 0.00 O ATOM 0 H GLU A 77 13.788 7.863 1.384 1.00 0.00 H new ATOM 0 HA GLU A 77 11.364 7.509 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.766 5.708 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.469 5.589 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.106 8.125 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.629 7.693 -0.874 1.00 0.00 H new ATOM 1161 N LEU A 78 10.075 6.005 1.265 1.00 0.00 N ATOM 1162 CA LEU A 78 9.168 5.106 1.953 1.00 0.00 C ATOM 1163 C LEU A 78 9.307 3.783 1.234 1.00 0.00 C ATOM 1164 O LEU A 78 9.075 3.745 0.025 1.00 0.00 O ATOM 1165 CB LEU A 78 7.715 5.623 1.818 1.00 0.00 C ATOM 1166 CG LEU A 78 6.734 4.907 2.778 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.926 5.472 4.179 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.267 5.152 2.417 1.00 0.00 C ATOM 0 H LEU A 78 9.584 6.599 0.597 1.00 0.00 H new ATOM 0 HA LEU A 78 9.395 5.025 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.695 6.694 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.378 5.484 0.791 1.00 0.00 H new ATOM 0 HG LEU A 78 6.947 3.840 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.241 4.977 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.953 5.301 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.722 6.543 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.626 4.626 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.055 6.220 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.074 4.785 1.409 1.00 0.00 H new ATOM 1180 N VAL A 79 9.708 2.729 1.928 1.00 0.00 N ATOM 1181 CA VAL A 79 9.757 1.384 1.375 1.00 0.00 C ATOM 1182 C VAL A 79 8.963 0.487 2.317 1.00 0.00 C ATOM 1183 O VAL A 79 9.218 0.473 3.524 1.00 0.00 O ATOM 1184 CB VAL A 79 11.199 0.961 1.023 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.298 1.757 1.737 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.439 -0.553 1.107 1.00 0.00 C ATOM 0 H VAL A 79 10.012 2.784 2.900 1.00 0.00 H new ATOM 0 HA VAL A 79 9.276 1.306 0.400 1.00 0.00 H new ATOM 0 HB VAL A 79 11.285 1.232 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.275 1.388 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.210 2.812 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.192 1.638 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.474 -0.772 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.240 -0.897 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.773 -1.066 0.413 1.00 0.00 H new ATOM 1196 N LEU A 80 7.982 -0.238 1.788 1.00 0.00 N ATOM 1197 CA LEU A 80 7.296 -1.310 2.489 1.00 0.00 C ATOM 1198 C LEU A 80 7.232 -2.522 1.561 1.00 0.00 C ATOM 1199 O LEU A 80 7.446 -2.402 0.351 1.00 0.00 O ATOM 1200 CB LEU A 80 5.923 -0.849 3.036 1.00 0.00 C ATOM 1201 CG LEU A 80 4.704 -0.814 2.094 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.587 -0.029 2.790 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.914 -0.105 0.759 1.00 0.00 C ATOM 0 H LEU A 80 7.637 -0.091 0.839 1.00 0.00 H new ATOM 0 HA LEU A 80 7.849 -1.603 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.670 -1.499 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.053 0.155 3.440 1.00 0.00 H new ATOM 0 HG LEU A 80 4.485 -1.861 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.711 0.010 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.324 -0.522 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.930 0.985 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.992 -0.142 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.189 0.934 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.711 -0.601 0.205 1.00 0.00 H new ATOM 1215 N THR A 81 6.937 -3.685 2.125 1.00 0.00 N ATOM 1216 CA THR A 81 6.740 -4.918 1.379 1.00 0.00 C ATOM 1217 C THR A 81 5.395 -5.487 1.813 1.00 0.00 C ATOM 1218 O THR A 81 4.887 -5.153 2.895 1.00 0.00 O ATOM 1219 CB THR A 81 7.934 -5.882 1.573 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.905 -6.546 2.824 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.297 -5.192 1.459 1.00 0.00 C ATOM 0 H THR A 81 6.826 -3.799 3.133 1.00 0.00 H new ATOM 0 HA THR A 81 6.711 -4.744 0.303 1.00 0.00 H new ATOM 0 HB THR A 81 7.818 -6.600 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.679 -7.143 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.090 -5.926 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.396 -4.743 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.376 -4.415 2.220 1.00 0.00 H new ATOM 1229 N SER A 82 4.770 -6.284 0.963 1.00 0.00 N ATOM 1230 CA SER A 82 3.573 -7.024 1.295 1.00 0.00 C ATOM 1231 C SER A 82 3.693 -8.369 0.576 1.00 0.00 C ATOM 1232 O SER A 82 3.813 -8.379 -0.652 1.00 0.00 O ATOM 1233 CB SER A 82 2.372 -6.138 0.925 1.00 0.00 C ATOM 1234 OG SER A 82 2.437 -5.685 -0.408 1.00 0.00 O ATOM 0 H SER A 82 5.089 -6.435 0.006 1.00 0.00 H new ATOM 0 HA SER A 82 3.432 -7.258 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.449 -6.699 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.334 -5.281 1.597 1.00 0.00 H new ATOM 0 HG SER A 82 3.052 -4.924 -0.465 1.00 0.00 H new ATOM 1240 N GLU A 83 3.765 -9.499 1.289 1.00 0.00 N ATOM 1241 CA GLU A 83 3.839 -10.802 0.633 1.00 0.00 C ATOM 1242 C GLU A 83 3.081 -11.867 1.406 1.00 0.00 C ATOM 1243 O GLU A 83 3.371 -12.175 2.564 1.00 0.00 O ATOM 1244 CB GLU A 83 5.277 -11.196 0.298 1.00 0.00 C ATOM 1245 CG GLU A 83 6.271 -11.492 1.438 1.00 0.00 C ATOM 1246 CD GLU A 83 6.827 -12.919 1.492 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.837 -13.624 0.462 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.352 -13.305 2.559 1.00 0.00 O ATOM 0 H GLU A 83 3.773 -9.535 2.308 1.00 0.00 H new ATOM 0 HA GLU A 83 3.331 -10.715 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.233 -12.083 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.703 -10.394 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.109 -10.800 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.779 -11.279 2.387 1.00 0.00 H new ATOM 1255 N SER A 84 2.026 -12.381 0.784 1.00 0.00 N ATOM 1256 CA SER A 84 1.114 -13.343 1.376 1.00 0.00 C ATOM 1257 C SER A 84 0.416 -14.204 0.313 1.00 0.00 C ATOM 1258 O SER A 84 -0.553 -14.883 0.660 1.00 0.00 O ATOM 1259 CB SER A 84 0.103 -12.574 2.243 1.00 0.00 C ATOM 1260 OG SER A 84 0.753 -11.925 3.320 1.00 0.00 O ATOM 0 H SER A 84 1.778 -12.131 -0.173 1.00 0.00 H new ATOM 0 HA SER A 84 1.675 -14.041 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.421 -11.838 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.649 -13.262 2.628 1.00 0.00 H new ATOM 0 HG SER A 84 1.720 -12.067 3.252 1.00 0.00 H new ATOM 1266 N SER A 85 0.821 -14.181 -0.964 1.00 0.00 N ATOM 1267 CA SER A 85 0.191 -15.016 -1.990 1.00 0.00 C ATOM 1268 C SER A 85 1.180 -15.391 -3.097 1.00 0.00 C ATOM 1269 O SER A 85 2.290 -14.867 -3.159 1.00 0.00 O ATOM 1270 CB SER A 85 -1.042 -14.289 -2.544 1.00 0.00 C ATOM 1271 OG SER A 85 -0.683 -13.047 -3.125 1.00 0.00 O ATOM 0 H SER A 85 1.581 -13.594 -1.309 1.00 0.00 H new ATOM 0 HA SER A 85 -0.130 -15.955 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.533 -14.915 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.762 -14.125 -1.742 1.00 0.00 H new ATOM 0 HG SER A 85 -0.034 -12.592 -2.549 1.00 0.00 H new ATOM 1277 N ARG A 86 0.783 -16.271 -4.019 1.00 0.00 N ATOM 1278 CA ARG A 86 1.645 -16.699 -5.123 1.00 0.00 C ATOM 1279 C ARG A 86 1.675 -15.726 -6.300 1.00 0.00 C ATOM 1280 O ARG A 86 2.497 -15.933 -7.196 1.00 0.00 O ATOM 1281 CB ARG A 86 1.215 -18.107 -5.583 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.194 -18.203 -6.215 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.251 -17.987 -7.736 1.00 0.00 C ATOM 1284 NE ARG A 86 0.332 -19.114 -8.478 1.00 0.00 N ATOM 1285 CZ ARG A 86 1.545 -19.202 -9.031 1.00 0.00 C ATOM 1286 NH1 ARG A 86 2.473 -18.261 -8.884 1.00 0.00 N ATOM 1287 NH2 ARG A 86 1.846 -20.292 -9.722 1.00 0.00 N ATOM 0 H ARG A 86 -0.140 -16.705 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 86 2.667 -16.719 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.944 -18.471 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.255 -18.778 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.609 -19.185 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.839 -17.467 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.288 -17.849 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.282 -17.071 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.266 -19.934 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.272 -17.429 -8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.386 -18.372 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.158 -21.039 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.765 -20.384 -10.154 1.00 0.00 H new ATOM 1301 N TYR A 87 0.773 -14.749 -6.384 1.00 0.00 N ATOM 1302 CA TYR A 87 0.602 -13.897 -7.560 1.00 0.00 C ATOM 1303 C TYR A 87 1.692 -12.813 -7.641 1.00 0.00 C ATOM 1304 O TYR A 87 2.548 -12.725 -6.765 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.765 -13.252 -7.380 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.898 -14.241 -7.159 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -2.365 -15.053 -8.205 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.461 -14.386 -5.881 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -3.374 -16.007 -7.971 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.469 -15.332 -5.639 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.932 -16.156 -6.685 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.919 -17.063 -6.459 1.00 0.00 O ATOM 0 H TYR A 87 0.130 -14.524 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 87 0.679 -14.474 -8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.723 -12.570 -6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.989 -12.651 -8.261 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.948 -14.945 -9.195 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.113 -13.760 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.723 -16.629 -8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.891 -15.429 -4.650 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.183 -17.030 -5.516 1.00 0.00 H new ATOM 1322 N GLN A 88 1.667 -11.942 -8.656 1.00 0.00 N ATOM 1323 CA GLN A 88 2.524 -10.753 -8.687 1.00 0.00 C ATOM 1324 C GLN A 88 1.687 -9.568 -8.207 1.00 0.00 C ATOM 1325 O GLN A 88 1.834 -9.136 -7.063 1.00 0.00 O ATOM 1326 CB GLN A 88 3.141 -10.527 -10.083 1.00 0.00 C ATOM 1327 CG GLN A 88 3.859 -11.732 -10.714 1.00 0.00 C ATOM 1328 CD GLN A 88 5.202 -12.121 -10.094 1.00 0.00 C ATOM 1329 OE1 GLN A 88 5.265 -12.444 -8.813 1.00 0.00 O flip ATOM 1330 NE2 GLN A 88 6.208 -12.205 -10.792 1.00 0.00 N flip ATOM 0 H GLN A 88 1.060 -12.040 -9.470 1.00 0.00 H new ATOM 0 HA GLN A 88 3.378 -10.882 -8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.348 -10.208 -10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.851 -9.703 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.194 -12.594 -10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.019 -11.520 -11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.165 -11.957 -11.781 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.087 -12.523 -10.384 1.00 0.00 H new ATOM 1339 N PHE A 89 0.761 -9.094 -9.049 1.00 0.00 N ATOM 1340 CA PHE A 89 -0.046 -7.908 -8.784 1.00 0.00 C ATOM 1341 C PHE A 89 -0.875 -8.059 -7.499 1.00 0.00 C ATOM 1342 O PHE A 89 -1.103 -7.055 -6.850 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.909 -7.573 -10.006 1.00 0.00 C ATOM 1344 CG PHE A 89 -2.003 -6.551 -9.761 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.662 -5.196 -9.584 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.359 -6.941 -9.759 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.671 -4.232 -9.424 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.367 -5.971 -9.603 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.024 -4.616 -9.447 1.00 0.00 C ATOM 0 H PHE A 89 0.552 -9.534 -9.945 1.00 0.00 H new ATOM 0 HA PHE A 89 0.623 -7.065 -8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.260 -7.204 -10.800 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.367 -8.492 -10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.624 -4.898 -9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.623 -7.982 -9.877 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.408 -3.194 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.405 -6.268 -9.603 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.799 -3.871 -9.345 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.274 -9.260 -7.052 1.00 0.00 N ATOM 1360 CA ARG A 90 -2.012 -9.417 -5.785 1.00 0.00 C ATOM 1361 C ARG A 90 -1.212 -8.888 -4.596 1.00 0.00 C ATOM 1362 O ARG A 90 -1.714 -8.099 -3.796 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.348 -10.893 -5.518 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.420 -11.096 -4.445 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.798 -10.882 -5.062 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.635 -9.988 -4.245 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.872 -10.214 -3.797 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -7.416 -11.425 -3.892 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.561 -9.221 -3.249 1.00 0.00 N ATOM 0 H ARG A 90 -1.100 -10.135 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.930 -8.839 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.685 -11.353 -6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.440 -11.414 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.348 -12.100 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.265 -10.398 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.686 -10.461 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.298 -11.844 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.221 -9.091 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.887 -12.190 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.362 -11.588 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.145 -8.293 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.507 -9.386 -2.904 1.00 0.00 H new ATOM 1383 N ASN A 91 0.021 -9.377 -4.453 1.00 0.00 N ATOM 1384 CA ASN A 91 0.890 -9.034 -3.336 1.00 0.00 C ATOM 1385 C ASN A 91 1.184 -7.550 -3.409 1.00 0.00 C ATOM 1386 O ASN A 91 1.097 -6.841 -2.412 1.00 0.00 O ATOM 1387 CB ASN A 91 2.195 -9.836 -3.411 1.00 0.00 C ATOM 1388 CG ASN A 91 1.964 -11.283 -3.036 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.507 -11.588 -1.936 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.194 -12.202 -3.949 1.00 0.00 N ATOM 0 H ASN A 91 0.444 -10.027 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 91 0.401 -9.276 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.604 -9.779 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.935 -9.397 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.993 -13.182 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.573 -11.935 -4.857 1.00 0.00 H new ATOM 1397 N LEU A 92 1.506 -7.096 -4.617 1.00 0.00 N ATOM 1398 CA LEU A 92 1.811 -5.720 -4.946 1.00 0.00 C ATOM 1399 C LEU A 92 0.619 -4.808 -4.626 1.00 0.00 C ATOM 1400 O LEU A 92 0.815 -3.742 -4.050 1.00 0.00 O ATOM 1401 CB LEU A 92 2.236 -5.741 -6.426 1.00 0.00 C ATOM 1402 CG LEU A 92 2.851 -4.480 -7.044 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.828 -3.601 -7.746 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.678 -3.669 -6.051 1.00 0.00 C ATOM 0 H LEU A 92 1.562 -7.713 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 92 2.620 -5.299 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.954 -6.551 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.357 -6.001 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 92 3.536 -4.850 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.325 -2.725 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.354 -4.165 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.070 -3.282 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.086 -2.790 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.045 -3.355 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.495 -4.282 -5.671 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.611 -5.237 -4.917 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.846 -4.505 -4.674 1.00 0.00 C ATOM 1418 C ALA A 93 -2.069 -4.244 -3.190 1.00 0.00 C ATOM 1419 O ALA A 93 -2.640 -3.205 -2.864 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.057 -5.246 -5.256 1.00 0.00 C ATOM 0 H ALA A 93 -0.776 -6.147 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.743 -3.545 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.963 -4.674 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.929 -5.363 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.140 -6.229 -4.792 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.626 -5.128 -2.289 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.689 -4.862 -0.869 1.00 0.00 C ATOM 1428 C GLU A 94 -0.744 -3.719 -0.508 1.00 0.00 C ATOM 1429 O GLU A 94 -1.127 -2.847 0.260 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.387 -6.125 -0.055 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.649 -5.836 1.421 1.00 0.00 C ATOM 1432 CD GLU A 94 -2.141 -7.054 2.197 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -1.376 -8.033 2.363 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -3.303 -7.024 2.677 1.00 0.00 O ATOM 0 H GLU A 94 -1.221 -6.033 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.704 -4.556 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.012 -6.951 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.351 -6.429 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.732 -5.468 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.388 -5.039 1.502 1.00 0.00 H new ATOM 1441 N CYS A 95 0.452 -3.658 -1.098 1.00 0.00 N ATOM 1442 CA CYS A 95 1.373 -2.540 -0.919 1.00 0.00 C ATOM 1443 C CYS A 95 0.638 -1.242 -1.272 1.00 0.00 C ATOM 1444 O CYS A 95 0.621 -0.302 -0.474 1.00 0.00 O ATOM 1445 CB CYS A 95 2.642 -2.746 -1.767 1.00 0.00 C ATOM 1446 SG CYS A 95 4.118 -2.995 -0.735 1.00 0.00 S ATOM 0 H CYS A 95 0.808 -4.388 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 95 1.702 -2.479 0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.506 -3.609 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.792 -1.880 -2.411 1.00 0.00 H new ATOM 0 HG CYS A 95 5.157 -3.165 -1.498 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.025 -1.217 -2.434 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.804 -0.069 -2.898 1.00 0.00 C ATOM 1454 C LEU A 96 -2.014 0.209 -2.003 1.00 0.00 C ATOM 1455 O LEU A 96 -2.451 1.356 -1.899 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.306 -0.244 -4.337 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.384 -0.904 -5.364 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.107 -0.937 -6.715 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.998 -0.242 -5.447 1.00 0.00 C ATOM 0 H LEU A 96 -0.034 -2.003 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.115 0.775 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.226 -0.827 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.570 0.743 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.173 -1.924 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.464 -1.405 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.029 -1.510 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.343 0.081 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.604 -0.757 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.884 0.804 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.489 -0.303 -4.476 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.578 -0.825 -1.378 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.696 -0.689 -0.463 1.00 0.00 C ATOM 1473 C GLN A 97 -3.241 -0.002 0.813 1.00 0.00 C ATOM 1474 O GLN A 97 -3.923 0.910 1.275 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.326 -2.059 -0.156 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.695 -1.933 0.520 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.661 -1.103 -0.318 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -6.649 -1.168 -1.551 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.460 -0.266 0.317 1.00 0.00 N ATOM 0 H GLN A 97 -2.263 -1.788 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.461 -0.073 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.432 -2.623 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.656 -2.628 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.114 -2.926 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.576 -1.473 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.454 -0.229 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.084 0.344 -0.212 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.077 -0.382 1.350 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.578 0.264 2.552 1.00 0.00 C ATOM 1490 C LYS A 98 -1.292 1.696 2.183 1.00 0.00 C ATOM 1491 O LYS A 98 -1.749 2.568 2.892 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.336 -0.378 3.169 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.388 -1.920 3.287 1.00 0.00 C ATOM 1494 CD LYS A 98 0.932 -2.636 2.946 1.00 0.00 C ATOM 1495 CE LYS A 98 1.406 -3.463 4.138 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.865 -3.679 4.186 1.00 0.00 N ATOM 0 H LYS A 98 -1.479 -1.119 0.976 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.340 0.165 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.532 -0.103 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.184 0.043 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.676 -2.183 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.170 -2.295 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.791 -3.282 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.693 -1.903 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.094 -2.967 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.908 -4.432 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.130 -4.050 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.139 -4.362 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.355 -2.777 4.020 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.610 1.958 1.061 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.375 3.303 0.566 1.00 0.00 C ATOM 1512 C ILE A 99 -1.638 4.169 0.653 1.00 0.00 C ATOM 1513 O ILE A 99 -1.526 5.276 1.180 1.00 0.00 O ATOM 1514 CB ILE A 99 0.259 3.210 -0.841 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.735 2.797 -0.667 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.146 4.503 -1.659 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.351 2.151 -1.907 1.00 0.00 C ATOM 0 H ILE A 99 -0.206 1.230 0.472 1.00 0.00 H new ATOM 0 HA ILE A 99 0.339 3.826 1.202 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.295 2.466 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.319 3.678 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.811 2.101 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.613 4.359 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.905 4.757 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.650 5.313 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.389 1.890 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.794 1.250 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.310 2.852 -2.741 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.806 3.689 0.195 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.063 4.438 0.261 1.00 0.00 C ATOM 1531 C ARG A 100 -4.388 4.749 1.713 1.00 0.00 C ATOM 1532 O ARG A 100 -4.657 5.899 2.030 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.232 3.656 -0.367 1.00 0.00 C ATOM 1534 CG ARG A 100 -5.114 3.454 -1.885 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.856 2.200 -2.370 1.00 0.00 C ATOM 1536 NE ARG A 100 -7.325 2.326 -2.359 1.00 0.00 N ATOM 1537 CZ ARG A 100 -8.192 1.624 -3.109 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.884 0.409 -3.549 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -9.386 2.125 -3.413 1.00 0.00 N ATOM 0 H ARG A 100 -2.901 2.768 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.933 5.359 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.301 2.680 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.162 4.182 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.513 4.329 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.061 3.378 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.530 1.968 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.570 1.356 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.723 3.014 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.980 -0.003 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.552 -0.112 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.651 3.051 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.036 1.584 -3.983 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.331 3.745 2.583 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.669 3.873 3.993 1.00 0.00 C ATOM 1555 C ASP A 101 -3.734 4.834 4.719 1.00 0.00 C ATOM 1556 O ASP A 101 -4.194 5.751 5.395 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.667 2.490 4.667 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.047 1.833 4.658 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.092 2.536 4.690 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.095 0.582 4.579 1.00 0.00 O ATOM 0 H ASP A 101 -4.043 2.802 2.321 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.672 4.295 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.956 1.841 4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.323 2.591 5.696 1.00 0.00 H new ATOM 1565 N MET A 102 -2.426 4.669 4.523 1.00 0.00 N ATOM 1566 CA MET A 102 -1.367 5.507 5.073 1.00 0.00 C ATOM 1567 C MET A 102 -1.570 6.969 4.645 1.00 0.00 C ATOM 1568 O MET A 102 -1.173 7.885 5.359 1.00 0.00 O ATOM 1569 CB MET A 102 0.019 4.990 4.613 1.00 0.00 C ATOM 1570 CG MET A 102 0.310 3.508 4.956 1.00 0.00 C ATOM 1571 SD MET A 102 1.955 3.060 5.580 1.00 0.00 S ATOM 1572 CE MET A 102 2.973 3.479 4.155 1.00 0.00 C ATOM 0 H MET A 102 -2.061 3.910 3.948 1.00 0.00 H new ATOM 0 HA MET A 102 -1.408 5.458 6.161 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.099 5.120 3.534 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.791 5.611 5.067 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.422 3.192 5.699 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.127 2.919 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.984 3.100 4.306 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.547 3.029 3.258 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.005 4.562 4.037 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.171 7.206 3.472 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.521 8.521 2.947 1.00 0.00 C ATOM 1584 C ILE A 103 -3.837 8.998 3.560 1.00 0.00 C ATOM 1585 O ILE A 103 -3.958 10.170 3.908 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.527 8.425 1.400 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.062 8.564 0.936 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.463 9.406 0.671 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.779 7.972 -0.444 1.00 0.00 C ATOM 0 H ILE A 103 -2.436 6.450 2.840 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.791 9.282 3.224 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.950 7.458 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.795 9.621 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.415 8.078 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.386 9.250 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.491 9.234 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.175 10.430 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.273 8.113 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.011 6.907 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.397 8.473 -1.189 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.821 8.116 3.707 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.135 8.427 4.230 1.00 0.00 C ATOM 1603 C ALA A 104 -6.035 8.922 5.669 1.00 0.00 C ATOM 1604 O ALA A 104 -6.537 10.002 5.979 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.022 7.189 4.123 1.00 0.00 C ATOM 0 H ALA A 104 -4.716 7.133 3.455 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.584 9.229 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.013 7.417 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.105 6.890 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.582 6.375 4.699 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.339 8.174 6.523 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.164 8.493 7.940 1.00 0.00 C ATOM 1613 C GLU A 105 -4.312 9.756 8.118 1.00 0.00 C ATOM 1614 O GLU A 105 -4.353 10.408 9.159 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.588 7.278 8.688 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.088 7.080 8.446 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.536 5.858 9.185 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.545 4.739 8.628 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.065 6.029 10.336 1.00 0.00 O ATOM 0 H GLU A 105 -4.871 7.312 6.244 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.136 8.714 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.765 7.399 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.122 6.380 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.906 6.968 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.549 7.971 8.769 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.532 10.106 7.096 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.714 11.299 7.040 1.00 0.00 C ATOM 1628 C ALA A 106 -3.467 12.502 6.453 1.00 0.00 C ATOM 1629 O ALA A 106 -2.979 13.632 6.548 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.468 10.949 6.223 1.00 0.00 C ATOM 0 H ALA A 106 -3.455 9.537 6.253 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.437 11.609 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.820 11.823 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.930 10.136 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.765 10.639 5.221 1.00 0.00 H new ATOM 1636 N SER A 107 -4.649 12.278 5.873 1.00 0.00 N ATOM 1637 CA SER A 107 -5.505 13.283 5.248 1.00 0.00 C ATOM 1638 C SER A 107 -6.825 13.444 6.020 1.00 0.00 C ATOM 1639 O SER A 107 -7.699 14.206 5.608 1.00 0.00 O ATOM 1640 CB SER A 107 -5.754 12.865 3.786 1.00 0.00 C ATOM 1641 OG SER A 107 -6.110 13.981 2.985 1.00 0.00 O ATOM 0 H SER A 107 -5.053 11.343 5.826 1.00 0.00 H new ATOM 0 HA SER A 107 -5.012 14.255 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.857 12.396 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.548 12.120 3.749 1.00 0.00 H new ATOM 0 HG SER A 107 -6.047 13.737 2.038 1.00 0.00 H new ATOM 1647 N GLY A 108 -6.999 12.714 7.115 1.00 0.00 N ATOM 1648 CA GLY A 108 -8.241 12.554 7.837 1.00 0.00 C ATOM 1649 C GLY A 108 -7.913 12.324 9.313 1.00 0.00 C ATOM 1650 O GLY A 108 -6.853 12.773 9.781 1.00 0.00 O ATOM 0 H GLY A 108 -6.232 12.193 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.865 13.440 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.806 11.712 7.438 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.823 11.690 10.060 1.00 0.00 N ATOM 1655 CA PRO A 109 -8.642 11.410 11.473 1.00 0.00 C ATOM 1656 C PRO A 109 -7.545 10.359 11.665 1.00 0.00 C ATOM 1657 O PRO A 109 -7.719 9.206 11.259 1.00 0.00 O ATOM 1658 CB PRO A 109 -10.016 10.956 11.973 1.00 0.00 C ATOM 1659 CG PRO A 109 -10.713 10.404 10.733 1.00 0.00 C ATOM 1660 CD PRO A 109 -10.117 11.209 9.591 1.00 0.00 C ATOM 0 HA PRO A 109 -8.307 12.276 12.044 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.924 10.195 12.748 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.575 11.786 12.406 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.525 9.337 10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -11.794 10.533 10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.003 10.593 8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.767 12.042 9.322 1.00 0.00 H new ATOM 1668 N SER A 110 -6.426 10.759 12.285 1.00 0.00 N ATOM 1669 CA SER A 110 -5.251 9.924 12.543 1.00 0.00 C ATOM 1670 C SER A 110 -5.596 8.627 13.278 1.00 0.00 C ATOM 1671 O SER A 110 -4.974 7.594 13.023 1.00 0.00 O ATOM 1672 CB SER A 110 -4.247 10.738 13.362 1.00 0.00 C ATOM 1673 OG SER A 110 -3.829 11.875 12.625 1.00 0.00 O ATOM 0 H SER A 110 -6.313 11.711 12.633 1.00 0.00 H new ATOM 0 HA SER A 110 -4.826 9.633 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.701 11.051 14.302 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.385 10.120 13.614 1.00 0.00 H new ATOM 0 HG SER A 110 -3.188 12.392 13.156 1.00 0.00 H new ATOM 1679 N SER A 111 -6.612 8.677 14.137 1.00 0.00 N ATOM 1680 CA SER A 111 -7.344 7.547 14.673 1.00 0.00 C ATOM 1681 C SER A 111 -8.800 7.869 14.352 1.00 0.00 C ATOM 1682 O SER A 111 -9.329 8.849 14.895 1.00 0.00 O ATOM 1683 CB SER A 111 -7.139 7.414 16.192 1.00 0.00 C ATOM 1684 OG SER A 111 -5.801 7.621 16.616 1.00 0.00 O ATOM 0 H SER A 111 -6.962 9.565 14.495 1.00 0.00 H new ATOM 0 HA SER A 111 -7.013 6.600 14.247 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.785 8.131 16.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.459 6.420 16.505 1.00 0.00 H new ATOM 0 HG SER A 111 -5.747 7.523 17.590 1.00 0.00 H new ATOM 1690 N GLY A 112 -9.439 7.131 13.448 1.00 0.00 N ATOM 1691 CA GLY A 112 -10.791 7.426 13.011 1.00 0.00 C ATOM 1692 C GLY A 112 -11.396 6.211 12.358 1.00 0.00 C ATOM 1693 O GLY A 112 -10.695 5.616 11.512 1.00 0.00 O ATOM 0 H GLY A 112 -9.029 6.311 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -11.399 7.733 13.862 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.782 8.260 12.309 1.00 0.00 H new TER 1697 GLY A 112