USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 38 MET CE :methyl -152:sc= -0.689 (180deg=-1.94) USER MOD Set 1.2: A 42 SER OG : rot 65:sc= 1.29 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 158:sc= 0.245 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 11 SER OG : rot 24:sc= 0.111 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -79:sc= -0.24 USER MOD Single : A 21 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.18) USER MOD Single : A 23 MET CE :methyl -135:sc= -2! (180deg=-2.43!) USER MOD Single : A 28 SER OG : rot -25:sc= 1.23 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.112 X(o=0.11,f=-0.34) USER MOD Single : A 45 SER OG : rot -87:sc= 0.716 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 2.24 (180deg=1.93) USER MOD Single : A 52 GLN : amide:sc= -0.151 K(o=-0.15,f=-3.3!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.966 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc=-0.00423 (180deg=-0.113) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.18 X(o=0.18,f=-0.2) USER MOD Single : A 66 GLN : amide:sc= -0.0105 X(o=-0.01,f=-0.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0961 (180deg=-0.46) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 83 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 84 MET CE :methyl -152:sc= -0.147 (180deg=-0.611) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.064 -11.804 -4.276 1.00 0.00 N ATOM 56 CA SER A 11 7.884 -10.599 -4.235 1.00 0.00 C ATOM 57 C SER A 11 7.118 -9.424 -3.616 1.00 0.00 C ATOM 58 O SER A 11 7.714 -8.435 -3.193 1.00 0.00 O ATOM 59 CB SER A 11 8.373 -10.250 -5.638 1.00 0.00 C ATOM 60 OG SER A 11 9.078 -11.342 -6.208 1.00 0.00 O ATOM 0 HA SER A 11 8.749 -10.796 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.524 -9.989 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.021 -9.374 -5.596 1.00 0.00 H new ATOM 0 HG SER A 11 8.793 -12.175 -5.778 1.00 0.00 H new ATOM 66 N GLU A 12 5.792 -9.548 -3.561 1.00 0.00 N ATOM 67 CA GLU A 12 4.940 -8.541 -2.933 1.00 0.00 C ATOM 68 C GLU A 12 5.286 -8.400 -1.448 1.00 0.00 C ATOM 69 O GLU A 12 5.143 -7.331 -0.860 1.00 0.00 O ATOM 70 CB GLU A 12 3.471 -8.934 -3.082 1.00 0.00 C ATOM 71 CG GLU A 12 3.022 -9.093 -4.522 1.00 0.00 C ATOM 72 CD GLU A 12 1.609 -9.607 -4.634 1.00 0.00 C ATOM 73 OE1 GLU A 12 0.665 -8.805 -4.473 1.00 0.00 O ATOM 74 OE2 GLU A 12 1.428 -10.816 -4.878 1.00 0.00 O ATOM 0 H GLU A 12 5.282 -10.343 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 12 5.110 -7.585 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.300 -9.871 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.852 -8.178 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.097 -8.132 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.696 -9.778 -5.036 1.00 0.00 H new ATOM 81 N THR A 13 5.755 -9.493 -0.857 1.00 0.00 N ATOM 82 CA THR A 13 6.133 -9.497 0.545 1.00 0.00 C ATOM 83 C THR A 13 7.621 -9.190 0.694 1.00 0.00 C ATOM 84 O THR A 13 8.119 -8.993 1.791 1.00 0.00 O ATOM 85 CB THR A 13 5.824 -10.864 1.212 1.00 0.00 C ATOM 86 OG1 THR A 13 6.611 -11.904 0.610 1.00 0.00 O ATOM 87 CG2 THR A 13 4.350 -11.213 1.074 1.00 0.00 C ATOM 0 H THR A 13 5.881 -10.387 -1.331 1.00 0.00 H new ATOM 0 HA THR A 13 5.546 -8.726 1.044 1.00 0.00 H new ATOM 0 HB THR A 13 6.074 -10.782 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.407 -12.760 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.158 -12.175 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.747 -10.443 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.087 -11.271 0.018 1.00 0.00 H new ATOM 95 N TYR A 14 8.318 -9.161 -0.427 1.00 0.00 N ATOM 96 CA TYR A 14 9.748 -8.914 -0.450 1.00 0.00 C ATOM 97 C TYR A 14 10.067 -7.418 -0.354 1.00 0.00 C ATOM 98 O TYR A 14 11.117 -7.031 0.159 1.00 0.00 O ATOM 99 CB TYR A 14 10.340 -9.513 -1.735 1.00 0.00 C ATOM 100 CG TYR A 14 11.787 -9.168 -1.991 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.808 -9.919 -1.434 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.129 -8.091 -2.798 1.00 0.00 C ATOM 103 CE1 TYR A 14 14.130 -9.607 -1.672 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.444 -7.771 -3.039 1.00 0.00 C ATOM 105 CZ TYR A 14 14.443 -8.531 -2.475 1.00 0.00 C ATOM 106 OH TYR A 14 15.759 -8.215 -2.713 1.00 0.00 O ATOM 0 H TYR A 14 7.908 -9.308 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 14 10.198 -9.392 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.243 -10.598 -1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.746 -9.174 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.566 -10.762 -0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.348 -7.494 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.916 -10.202 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.692 -6.928 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 14 15.806 -7.431 -3.299 1.00 0.00 H new ATOM 116 N ILE A 15 9.162 -6.585 -0.828 1.00 0.00 N ATOM 117 CA ILE A 15 9.397 -5.149 -0.842 1.00 0.00 C ATOM 118 C ILE A 15 8.714 -4.452 0.328 1.00 0.00 C ATOM 119 O ILE A 15 7.886 -5.045 1.031 1.00 0.00 O ATOM 120 CB ILE A 15 8.908 -4.509 -2.150 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.422 -4.799 -2.354 1.00 0.00 C ATOM 122 CG2 ILE A 15 9.727 -5.019 -3.331 1.00 0.00 C ATOM 123 CD1 ILE A 15 6.790 -3.971 -3.437 1.00 0.00 C ATOM 0 H ILE A 15 8.260 -6.873 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 15 10.476 -5.018 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 15 9.043 -3.429 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.296 -5.855 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.894 -4.621 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.368 -4.556 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.777 -4.765 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.623 -6.101 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.735 -4.231 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.884 -2.914 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.292 -4.167 -4.384 1.00 0.00 H new ATOM 135 N THR A 16 9.048 -3.189 0.517 1.00 0.00 N ATOM 136 CA THR A 16 8.486 -2.397 1.585 1.00 0.00 C ATOM 137 C THR A 16 7.734 -1.207 0.999 1.00 0.00 C ATOM 138 O THR A 16 7.884 -0.895 -0.186 1.00 0.00 O ATOM 139 CB THR A 16 9.597 -1.883 2.529 1.00 0.00 C ATOM 140 OG1 THR A 16 10.504 -1.060 1.793 1.00 0.00 O ATOM 141 CG2 THR A 16 10.366 -3.041 3.150 1.00 0.00 C ATOM 0 H THR A 16 9.717 -2.687 -0.067 1.00 0.00 H new ATOM 0 HA THR A 16 7.802 -3.025 2.156 1.00 0.00 H new ATOM 0 HB THR A 16 9.128 -1.308 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.125 -1.627 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.141 -2.651 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.682 -3.666 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.826 -3.637 2.362 1.00 0.00 H new ATOM 149 N CYS A 17 6.934 -0.539 1.814 1.00 0.00 N ATOM 150 CA CYS A 17 6.196 0.623 1.345 1.00 0.00 C ATOM 151 C CYS A 17 7.121 1.830 1.233 1.00 0.00 C ATOM 152 O CYS A 17 6.808 2.804 0.560 1.00 0.00 O ATOM 153 CB CYS A 17 4.992 0.930 2.244 1.00 0.00 C ATOM 154 SG CYS A 17 5.400 1.529 3.915 1.00 0.00 S ATOM 0 H CYS A 17 6.780 -0.778 2.794 1.00 0.00 H new ATOM 0 HA CYS A 17 5.805 0.394 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.372 1.678 1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.389 0.027 2.337 1.00 0.00 H new ATOM 159 N ALA A 18 8.268 1.752 1.901 1.00 0.00 N ATOM 160 CA ALA A 18 9.266 2.803 1.826 1.00 0.00 C ATOM 161 C ALA A 18 9.884 2.801 0.441 1.00 0.00 C ATOM 162 O ALA A 18 10.051 3.850 -0.187 1.00 0.00 O ATOM 163 CB ALA A 18 10.338 2.594 2.885 1.00 0.00 C ATOM 0 H ALA A 18 8.526 0.968 2.501 1.00 0.00 H new ATOM 0 HA ALA A 18 8.792 3.767 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.079 3.391 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.880 2.610 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.824 1.632 2.726 1.00 0.00 H new ATOM 169 N GLU A 19 10.185 1.601 -0.043 1.00 0.00 N ATOM 170 CA GLU A 19 10.762 1.406 -1.365 1.00 0.00 C ATOM 171 C GLU A 19 9.781 1.808 -2.457 1.00 0.00 C ATOM 172 O GLU A 19 10.175 2.043 -3.602 1.00 0.00 O ATOM 173 CB GLU A 19 11.192 -0.045 -1.544 1.00 0.00 C ATOM 174 CG GLU A 19 12.301 -0.456 -0.601 1.00 0.00 C ATOM 175 CD GLU A 19 12.584 -1.935 -0.642 1.00 0.00 C ATOM 176 OE1 GLU A 19 11.926 -2.686 0.108 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.476 -2.351 -1.404 1.00 0.00 O ATOM 0 H GLU A 19 10.035 0.734 0.473 1.00 0.00 H new ATOM 0 HA GLU A 19 11.640 2.047 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.331 -0.695 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.523 -0.196 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.209 0.090 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.032 -0.170 0.416 1.00 0.00 H new ATOM 184 N ALA A 20 8.498 1.877 -2.106 1.00 0.00 N ATOM 185 CA ALA A 20 7.484 2.275 -3.052 1.00 0.00 C ATOM 186 C ALA A 20 7.744 3.699 -3.541 1.00 0.00 C ATOM 187 O ALA A 20 7.459 4.029 -4.683 1.00 0.00 O ATOM 188 CB ALA A 20 6.097 2.163 -2.438 1.00 0.00 C ATOM 0 H ALA A 20 8.147 1.661 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 20 7.529 1.601 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.349 2.468 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.913 1.131 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.033 2.810 -1.563 1.00 0.00 H new ATOM 194 N ASN A 21 8.328 4.529 -2.675 1.00 0.00 N ATOM 195 CA ASN A 21 8.644 5.909 -3.040 1.00 0.00 C ATOM 196 C ASN A 21 9.738 5.924 -4.093 1.00 0.00 C ATOM 197 O ASN A 21 9.687 6.700 -5.048 1.00 0.00 O ATOM 198 CB ASN A 21 9.080 6.734 -1.817 1.00 0.00 C ATOM 199 CG ASN A 21 8.011 6.824 -0.746 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.115 7.664 -0.814 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.114 5.982 0.265 1.00 0.00 N ATOM 0 H ASN A 21 8.590 4.272 -1.723 1.00 0.00 H new ATOM 0 HA ASN A 21 7.740 6.365 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.978 6.289 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.346 7.740 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.436 6.014 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.872 5.299 0.285 1.00 0.00 H new ATOM 208 N GLU A 22 10.728 5.051 -3.904 1.00 0.00 N ATOM 209 CA GLU A 22 11.825 4.896 -4.857 1.00 0.00 C ATOM 210 C GLU A 22 11.277 4.626 -6.249 1.00 0.00 C ATOM 211 O GLU A 22 11.641 5.292 -7.215 1.00 0.00 O ATOM 212 CB GLU A 22 12.744 3.746 -4.436 1.00 0.00 C ATOM 213 CG GLU A 22 13.330 3.898 -3.044 1.00 0.00 C ATOM 214 CD GLU A 22 14.195 5.127 -2.911 1.00 0.00 C ATOM 215 OE1 GLU A 22 13.649 6.211 -2.618 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.425 5.013 -3.085 1.00 0.00 O ATOM 0 H GLU A 22 10.791 4.436 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 22 12.400 5.822 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.184 2.812 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.559 3.665 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.520 3.947 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.921 3.014 -2.804 1.00 0.00 H new ATOM 223 N MET A 23 10.400 3.635 -6.342 1.00 0.00 N ATOM 224 CA MET A 23 9.768 3.286 -7.607 1.00 0.00 C ATOM 225 C MET A 23 8.888 4.421 -8.109 1.00 0.00 C ATOM 226 O MET A 23 8.907 4.734 -9.282 1.00 0.00 O ATOM 227 CB MET A 23 8.932 2.009 -7.474 1.00 0.00 C ATOM 228 CG MET A 23 9.735 0.774 -7.104 1.00 0.00 C ATOM 229 SD MET A 23 8.752 -0.744 -7.165 1.00 0.00 S ATOM 230 CE MET A 23 7.460 -0.372 -5.984 1.00 0.00 C ATOM 0 H MET A 23 10.110 3.057 -5.553 1.00 0.00 H new ATOM 0 HA MET A 23 10.565 3.110 -8.329 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.163 2.169 -6.718 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.418 1.825 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.583 0.680 -7.783 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.142 0.898 -6.101 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.304 -1.232 -5.332 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.752 0.490 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.535 -0.148 -6.515 1.00 0.00 H new ATOM 240 N ALA A 24 8.128 5.036 -7.200 1.00 0.00 N ATOM 241 CA ALA A 24 7.223 6.144 -7.539 1.00 0.00 C ATOM 242 C ALA A 24 7.945 7.245 -8.299 1.00 0.00 C ATOM 243 O ALA A 24 7.367 7.888 -9.170 1.00 0.00 O ATOM 244 CB ALA A 24 6.581 6.713 -6.280 1.00 0.00 C ATOM 0 H ALA A 24 8.120 4.784 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 24 6.444 5.743 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.914 7.532 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.011 5.932 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.358 7.083 -5.611 1.00 0.00 H new ATOM 250 N LYS A 25 9.209 7.446 -7.962 1.00 0.00 N ATOM 251 CA LYS A 25 10.053 8.438 -8.617 1.00 0.00 C ATOM 252 C LYS A 25 10.112 8.230 -10.150 1.00 0.00 C ATOM 253 O LYS A 25 10.319 9.181 -10.903 1.00 0.00 O ATOM 254 CB LYS A 25 11.462 8.421 -7.976 1.00 0.00 C ATOM 255 CG LYS A 25 12.535 9.173 -8.748 1.00 0.00 C ATOM 256 CD LYS A 25 13.250 8.247 -9.716 1.00 0.00 C ATOM 257 CE LYS A 25 14.072 9.021 -10.731 1.00 0.00 C ATOM 258 NZ LYS A 25 14.758 8.117 -11.688 1.00 0.00 N ATOM 0 H LYS A 25 9.682 6.925 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 25 9.612 9.423 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.393 8.846 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.779 7.384 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.083 10.000 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.254 9.606 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.900 7.572 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.518 7.629 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.424 9.705 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.812 9.630 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.990 8.641 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.633 7.756 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.132 7.320 -11.922 1.00 0.00 H new ATOM 272 N THR A 26 9.896 7.003 -10.598 1.00 0.00 N ATOM 273 CA THR A 26 9.932 6.698 -12.025 1.00 0.00 C ATOM 274 C THR A 26 8.603 6.087 -12.485 1.00 0.00 C ATOM 275 O THR A 26 8.175 6.273 -13.626 1.00 0.00 O ATOM 276 CB THR A 26 11.085 5.721 -12.363 1.00 0.00 C ATOM 277 OG1 THR A 26 12.316 6.212 -11.814 1.00 0.00 O ATOM 278 CG2 THR A 26 11.238 5.567 -13.870 1.00 0.00 C ATOM 0 H THR A 26 9.694 6.203 -9.999 1.00 0.00 H new ATOM 0 HA THR A 26 10.100 7.638 -12.551 1.00 0.00 H new ATOM 0 HB THR A 26 10.847 4.750 -11.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.042 5.589 -12.029 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.054 4.876 -14.084 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.312 5.177 -14.292 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.458 6.538 -14.314 1.00 0.00 H new ATOM 286 N ASP A 27 7.946 5.389 -11.579 1.00 0.00 N ATOM 287 CA ASP A 27 6.707 4.698 -11.878 1.00 0.00 C ATOM 288 C ASP A 27 5.669 4.960 -10.800 1.00 0.00 C ATOM 289 O ASP A 27 5.330 4.070 -10.009 1.00 0.00 O ATOM 290 CB ASP A 27 6.942 3.188 -12.019 1.00 0.00 C ATOM 291 CG ASP A 27 7.822 2.827 -13.199 1.00 0.00 C ATOM 292 OD1 ASP A 27 7.293 2.707 -14.335 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.042 2.646 -13.002 1.00 0.00 O ATOM 0 H ASP A 27 8.257 5.285 -10.613 1.00 0.00 H new ATOM 0 HA ASP A 27 6.333 5.084 -12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.400 2.811 -11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.980 2.686 -12.124 1.00 0.00 H new ATOM 298 N SER A 28 5.185 6.188 -10.759 1.00 0.00 N ATOM 299 CA SER A 28 4.166 6.599 -9.802 1.00 0.00 C ATOM 300 C SER A 28 2.881 5.783 -9.997 1.00 0.00 C ATOM 301 O SER A 28 2.155 5.505 -9.045 1.00 0.00 O ATOM 302 CB SER A 28 3.861 8.086 -9.981 1.00 0.00 C ATOM 303 OG SER A 28 5.054 8.859 -10.031 1.00 0.00 O ATOM 0 H SER A 28 5.486 6.932 -11.388 1.00 0.00 H new ATOM 0 HA SER A 28 4.543 6.421 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.291 8.234 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.236 8.432 -9.158 1.00 0.00 H new ATOM 0 HG SER A 28 5.770 8.387 -9.556 1.00 0.00 H new ATOM 309 N ALA A 29 2.623 5.394 -11.233 1.00 0.00 N ATOM 310 CA ALA A 29 1.435 4.633 -11.565 1.00 0.00 C ATOM 311 C ALA A 29 1.486 3.221 -10.986 1.00 0.00 C ATOM 312 O ALA A 29 0.483 2.705 -10.503 1.00 0.00 O ATOM 313 CB ALA A 29 1.245 4.580 -13.075 1.00 0.00 C ATOM 0 H ALA A 29 3.228 5.596 -12.029 1.00 0.00 H new ATOM 0 HA ALA A 29 0.582 5.142 -11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.349 4.005 -13.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.138 5.593 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.111 4.104 -13.534 1.00 0.00 H new ATOM 319 N GLN A 30 2.667 2.611 -11.003 1.00 0.00 N ATOM 320 CA GLN A 30 2.810 1.233 -10.542 1.00 0.00 C ATOM 321 C GLN A 30 2.667 1.115 -9.034 1.00 0.00 C ATOM 322 O GLN A 30 2.133 0.129 -8.539 1.00 0.00 O ATOM 323 CB GLN A 30 4.137 0.631 -10.990 1.00 0.00 C ATOM 324 CG GLN A 30 4.273 0.499 -12.495 1.00 0.00 C ATOM 325 CD GLN A 30 5.495 -0.299 -12.901 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.530 -0.263 -12.078 1.00 0.00 O flip ATOM 327 NE2 GLN A 30 5.507 -0.949 -13.947 1.00 0.00 N flip ATOM 0 H GLN A 30 3.532 3.044 -11.328 1.00 0.00 H new ATOM 0 HA GLN A 30 1.998 0.669 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.951 1.250 -10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.250 -0.354 -10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.380 0.019 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.328 1.493 -12.940 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.688 -0.951 -14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.336 -1.485 -14.205 1.00 0.00 H new ATOM 336 N VAL A 31 3.129 2.119 -8.305 1.00 0.00 N ATOM 337 CA VAL A 31 3.050 2.084 -6.852 1.00 0.00 C ATOM 338 C VAL A 31 1.613 2.248 -6.384 1.00 0.00 C ATOM 339 O VAL A 31 1.230 1.731 -5.344 1.00 0.00 O ATOM 340 CB VAL A 31 3.954 3.146 -6.187 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.380 2.984 -6.667 1.00 0.00 C ATOM 342 CG2 VAL A 31 3.457 4.557 -6.455 1.00 0.00 C ATOM 0 H VAL A 31 3.558 2.960 -8.690 1.00 0.00 H new ATOM 0 HA VAL A 31 3.416 1.105 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 31 3.919 2.990 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.011 3.736 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.742 1.990 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.416 3.109 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.120 5.274 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.446 4.741 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.448 4.669 -6.058 1.00 0.00 H new ATOM 352 N ALA A 32 0.818 2.947 -7.181 1.00 0.00 N ATOM 353 CA ALA A 32 -0.585 3.138 -6.876 1.00 0.00 C ATOM 354 C ALA A 32 -1.366 1.909 -7.311 1.00 0.00 C ATOM 355 O ALA A 32 -2.402 1.573 -6.745 1.00 0.00 O ATOM 356 CB ALA A 32 -1.116 4.386 -7.570 1.00 0.00 C ATOM 0 H ALA A 32 1.126 3.391 -8.046 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.705 3.275 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.171 4.514 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.558 5.258 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.999 4.280 -8.649 1.00 0.00 H new ATOM 362 N GLU A 33 -0.841 1.245 -8.329 1.00 0.00 N ATOM 363 CA GLU A 33 -1.442 0.057 -8.884 1.00 0.00 C ATOM 364 C GLU A 33 -1.274 -1.127 -7.950 1.00 0.00 C ATOM 365 O GLU A 33 -2.247 -1.779 -7.585 1.00 0.00 O ATOM 366 CB GLU A 33 -0.797 -0.255 -10.239 1.00 0.00 C ATOM 367 CG GLU A 33 -1.306 -1.520 -10.904 1.00 0.00 C ATOM 368 CD GLU A 33 -2.753 -1.419 -11.314 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.630 -1.721 -10.491 1.00 0.00 O ATOM 370 OE2 GLU A 33 -3.019 -1.049 -12.474 1.00 0.00 O ATOM 0 H GLU A 33 0.023 1.524 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.509 0.237 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.968 0.587 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.281 -0.340 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.698 -1.734 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.184 -2.360 -10.220 1.00 0.00 H new ATOM 377 N ILE A 34 -0.038 -1.382 -7.539 1.00 0.00 N ATOM 378 CA ILE A 34 0.267 -2.542 -6.732 1.00 0.00 C ATOM 379 C ILE A 34 -0.490 -2.515 -5.411 1.00 0.00 C ATOM 380 O ILE A 34 -1.074 -3.526 -4.998 1.00 0.00 O ATOM 381 CB ILE A 34 1.798 -2.707 -6.494 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.068 -3.977 -5.698 1.00 0.00 C ATOM 383 CG2 ILE A 34 2.391 -1.489 -5.790 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.539 -4.303 -5.532 1.00 0.00 C ATOM 0 H ILE A 34 0.767 -0.795 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.068 -3.413 -7.295 1.00 0.00 H new ATOM 0 HB ILE A 34 2.285 -2.789 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.615 -3.878 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.575 -4.814 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.460 -1.640 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.232 -0.601 -6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.905 -1.355 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.645 -5.221 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.995 -4.437 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.036 -3.486 -5.009 1.00 0.00 H new ATOM 396 N VAL A 35 -0.496 -1.362 -4.757 1.00 0.00 N ATOM 397 CA VAL A 35 -1.223 -1.210 -3.512 1.00 0.00 C ATOM 398 C VAL A 35 -2.731 -1.391 -3.708 1.00 0.00 C ATOM 399 O VAL A 35 -3.439 -1.754 -2.781 1.00 0.00 O ATOM 400 CB VAL A 35 -0.944 0.150 -2.838 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.531 0.295 -2.501 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.419 1.305 -3.702 1.00 0.00 C ATOM 0 H VAL A 35 -0.007 -0.523 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.861 -1.999 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.510 0.180 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.703 1.261 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.828 -0.502 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.121 0.229 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.207 2.248 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.899 1.281 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.492 1.216 -3.870 1.00 0.00 H new ATOM 412 N ALA A 36 -3.208 -1.151 -4.920 1.00 0.00 N ATOM 413 CA ALA A 36 -4.621 -1.295 -5.224 1.00 0.00 C ATOM 414 C ALA A 36 -4.968 -2.748 -5.529 1.00 0.00 C ATOM 415 O ALA A 36 -6.027 -3.232 -5.127 1.00 0.00 O ATOM 416 CB ALA A 36 -5.013 -0.399 -6.388 1.00 0.00 C ATOM 0 H ALA A 36 -2.635 -0.855 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.187 -0.988 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.075 -0.522 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.812 0.641 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.433 -0.673 -7.269 1.00 0.00 H new ATOM 422 N VAL A 37 -4.067 -3.436 -6.242 1.00 0.00 N ATOM 423 CA VAL A 37 -4.267 -4.846 -6.609 1.00 0.00 C ATOM 424 C VAL A 37 -4.691 -5.682 -5.396 1.00 0.00 C ATOM 425 O VAL A 37 -5.810 -6.183 -5.340 1.00 0.00 O ATOM 426 CB VAL A 37 -2.988 -5.467 -7.240 1.00 0.00 C ATOM 427 CG1 VAL A 37 -3.207 -6.935 -7.574 1.00 0.00 C ATOM 428 CG2 VAL A 37 -2.578 -4.703 -8.488 1.00 0.00 C ATOM 0 H VAL A 37 -3.190 -3.039 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.064 -4.863 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.184 -5.394 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.299 -7.347 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.450 -7.483 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.029 -7.028 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.681 -5.154 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.385 -4.741 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.373 -3.665 -8.228 1.00 0.00 H new ATOM 438 N MET A 38 -3.801 -5.846 -4.435 1.00 0.00 N ATOM 439 CA MET A 38 -4.140 -6.576 -3.222 1.00 0.00 C ATOM 440 C MET A 38 -4.915 -5.709 -2.240 1.00 0.00 C ATOM 441 O MET A 38 -5.718 -6.214 -1.459 1.00 0.00 O ATOM 442 CB MET A 38 -2.882 -7.118 -2.541 1.00 0.00 C ATOM 443 CG MET A 38 -1.855 -6.048 -2.192 1.00 0.00 C ATOM 444 SD MET A 38 -0.682 -6.588 -0.937 1.00 0.00 S ATOM 445 CE MET A 38 -1.765 -6.715 0.491 1.00 0.00 C ATOM 0 H MET A 38 -2.846 -5.489 -4.467 1.00 0.00 H new ATOM 0 HA MET A 38 -4.775 -7.410 -3.521 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.172 -7.640 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.416 -7.854 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.311 -5.765 -3.093 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.372 -5.156 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.189 -6.545 1.401 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.554 -5.967 0.417 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.209 -7.710 0.523 1.00 0.00 H new ATOM 455 N GLY A 39 -4.677 -4.406 -2.291 1.00 0.00 N ATOM 456 CA GLY A 39 -5.313 -3.489 -1.363 1.00 0.00 C ATOM 457 C GLY A 39 -6.818 -3.502 -1.451 1.00 0.00 C ATOM 458 O GLY A 39 -7.495 -3.596 -0.432 1.00 0.00 O ATOM 0 H GLY A 39 -4.050 -3.964 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.013 -3.745 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.953 -2.479 -1.557 1.00 0.00 H new ATOM 462 N ASN A 40 -7.341 -3.416 -2.670 1.00 0.00 N ATOM 463 CA ASN A 40 -8.789 -3.404 -2.881 1.00 0.00 C ATOM 464 C ASN A 40 -9.435 -4.668 -2.302 1.00 0.00 C ATOM 465 O ASN A 40 -10.489 -4.601 -1.685 1.00 0.00 O ATOM 466 CB ASN A 40 -9.141 -3.219 -4.378 1.00 0.00 C ATOM 467 CG ASN A 40 -9.322 -4.519 -5.144 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.412 -5.085 -5.189 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.265 -4.986 -5.756 1.00 0.00 N ATOM 0 H ASN A 40 -6.789 -3.354 -3.525 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.199 -2.547 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.059 -2.636 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.353 -2.637 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.328 -5.850 -6.295 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.378 -4.487 -5.694 1.00 0.00 H new ATOM 476 N ALA A 41 -8.780 -5.812 -2.485 1.00 0.00 N ATOM 477 CA ALA A 41 -9.275 -7.073 -1.939 1.00 0.00 C ATOM 478 C ALA A 41 -9.146 -7.091 -0.416 1.00 0.00 C ATOM 479 O ALA A 41 -10.015 -7.608 0.293 1.00 0.00 O ATOM 480 CB ALA A 41 -8.523 -8.245 -2.554 1.00 0.00 C ATOM 0 H ALA A 41 -7.907 -5.892 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.331 -7.167 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.902 -9.179 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.668 -8.244 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.460 -8.153 -2.330 1.00 0.00 H new ATOM 486 N SER A 42 -8.057 -6.518 0.077 1.00 0.00 N ATOM 487 CA SER A 42 -7.810 -6.442 1.507 1.00 0.00 C ATOM 488 C SER A 42 -8.889 -5.607 2.201 1.00 0.00 C ATOM 489 O SER A 42 -9.480 -6.038 3.184 1.00 0.00 O ATOM 490 CB SER A 42 -6.419 -5.856 1.784 1.00 0.00 C ATOM 491 OG SER A 42 -5.400 -6.654 1.194 1.00 0.00 O ATOM 0 H SER A 42 -7.327 -6.097 -0.498 1.00 0.00 H new ATOM 0 HA SER A 42 -7.846 -7.453 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.364 -4.841 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.256 -5.790 2.860 1.00 0.00 H new ATOM 0 HG SER A 42 -5.485 -6.625 0.218 1.00 0.00 H new ATOM 497 N VAL A 43 -9.128 -4.412 1.700 1.00 0.00 N ATOM 498 CA VAL A 43 -10.151 -3.548 2.266 1.00 0.00 C ATOM 499 C VAL A 43 -11.564 -4.057 2.008 1.00 0.00 C ATOM 500 O VAL A 43 -12.314 -4.194 2.934 1.00 0.00 O ATOM 501 CB VAL A 43 -10.014 -2.089 1.784 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.692 -1.494 2.230 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.149 -2.010 0.289 1.00 0.00 C ATOM 0 H VAL A 43 -8.630 -4.015 0.903 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.984 -3.570 3.343 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.818 -1.508 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.619 -0.465 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.634 -1.510 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.871 -2.079 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.049 -0.973 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.369 -2.611 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.127 -2.389 -0.009 1.00 0.00 H new ATOM 513 N ALA A 44 -11.920 -4.391 0.764 1.00 0.00 N ATOM 514 CA ALA A 44 -13.299 -4.788 0.431 1.00 0.00 C ATOM 515 C ALA A 44 -13.803 -6.004 1.211 1.00 0.00 C ATOM 516 O ALA A 44 -14.981 -6.326 1.153 1.00 0.00 O ATOM 517 CB ALA A 44 -13.444 -5.019 -1.063 1.00 0.00 C ATOM 0 H ALA A 44 -11.278 -4.396 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.929 -3.953 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.470 -5.311 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.203 -4.101 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.764 -5.811 -1.376 1.00 0.00 H new ATOM 523 N SER A 45 -12.927 -6.674 1.928 1.00 0.00 N ATOM 524 CA SER A 45 -13.339 -7.838 2.670 1.00 0.00 C ATOM 525 C SER A 45 -13.860 -7.446 4.059 1.00 0.00 C ATOM 526 O SER A 45 -14.810 -8.043 4.564 1.00 0.00 O ATOM 527 CB SER A 45 -12.209 -8.860 2.753 1.00 0.00 C ATOM 528 OG SER A 45 -10.961 -8.226 2.912 1.00 0.00 O ATOM 0 H SER A 45 -11.939 -6.435 2.011 1.00 0.00 H new ATOM 0 HA SER A 45 -14.164 -8.311 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.386 -9.535 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.198 -9.469 1.849 1.00 0.00 H new ATOM 0 HG SER A 45 -10.597 -7.996 2.032 1.00 0.00 H new ATOM 534 N ARG A 46 -13.248 -6.419 4.666 1.00 0.00 N ATOM 535 CA ARG A 46 -13.654 -5.979 6.010 1.00 0.00 C ATOM 536 C ARG A 46 -14.102 -4.523 6.013 1.00 0.00 C ATOM 537 O ARG A 46 -14.856 -4.091 6.890 1.00 0.00 O ATOM 538 CB ARG A 46 -12.518 -6.176 7.011 1.00 0.00 C ATOM 539 CG ARG A 46 -12.186 -7.630 7.288 1.00 0.00 C ATOM 540 CD ARG A 46 -11.021 -7.748 8.248 1.00 0.00 C ATOM 541 NE ARG A 46 -10.653 -9.141 8.504 1.00 0.00 N ATOM 542 CZ ARG A 46 -9.408 -9.616 8.408 1.00 0.00 C ATOM 543 NH1 ARG A 46 -8.434 -8.844 7.942 1.00 0.00 N ATOM 544 NH2 ARG A 46 -9.149 -10.874 8.736 1.00 0.00 N ATOM 0 H ARG A 46 -12.482 -5.884 4.256 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.502 -6.595 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.626 -5.675 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.786 -5.690 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.058 -8.133 7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.944 -8.136 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.161 -7.216 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.278 -7.263 9.190 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.393 -9.790 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.635 -7.886 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.484 -9.209 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.901 -11.481 9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.198 -11.235 8.662 1.00 0.00 H new ATOM 558 N ASP A 47 -13.660 -3.786 5.027 1.00 0.00 N ATOM 559 CA ASP A 47 -13.992 -2.404 4.879 1.00 0.00 C ATOM 560 C ASP A 47 -14.886 -2.254 3.665 1.00 0.00 C ATOM 561 O ASP A 47 -14.506 -1.725 2.630 1.00 0.00 O ATOM 562 CB ASP A 47 -12.731 -1.563 4.741 1.00 0.00 C ATOM 563 CG ASP A 47 -13.033 -0.097 4.693 1.00 0.00 C ATOM 564 OD1 ASP A 47 -13.577 0.429 5.689 1.00 0.00 O ATOM 565 OD2 ASP A 47 -12.733 0.540 3.672 1.00 0.00 O ATOM 0 H ASP A 47 -13.048 -4.142 4.293 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.521 -2.050 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.066 -1.768 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.200 -1.853 3.834 1.00 0.00 H new ATOM 570 N LEU A 48 -16.059 -2.803 3.807 1.00 0.00 N ATOM 571 CA LEU A 48 -17.114 -2.809 2.777 1.00 0.00 C ATOM 572 C LEU A 48 -17.537 -1.390 2.349 1.00 0.00 C ATOM 573 O LEU A 48 -18.347 -1.224 1.430 1.00 0.00 O ATOM 574 CB LEU A 48 -18.339 -3.562 3.307 1.00 0.00 C ATOM 575 CG LEU A 48 -18.085 -4.984 3.820 1.00 0.00 C ATOM 576 CD1 LEU A 48 -19.333 -5.542 4.480 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.640 -5.892 2.688 1.00 0.00 C ATOM 0 H LEU A 48 -16.338 -3.280 4.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.703 -3.306 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.777 -2.978 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.082 -3.612 2.511 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.287 -4.940 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.134 -6.552 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.615 -4.908 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.147 -5.567 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.465 -6.896 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.416 -5.927 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.719 -5.505 2.252 1.00 0.00 H new ATOM 589 N LYS A 49 -16.999 -0.384 3.008 1.00 0.00 N ATOM 590 CA LYS A 49 -17.326 0.996 2.689 1.00 0.00 C ATOM 591 C LYS A 49 -16.340 1.536 1.665 1.00 0.00 C ATOM 592 O LYS A 49 -16.459 2.677 1.211 1.00 0.00 O ATOM 593 CB LYS A 49 -17.327 1.867 3.968 1.00 0.00 C ATOM 594 CG LYS A 49 -15.954 2.052 4.612 1.00 0.00 C ATOM 595 CD LYS A 49 -15.226 3.275 4.057 1.00 0.00 C ATOM 596 CE LYS A 49 -13.728 3.193 4.303 1.00 0.00 C ATOM 597 NZ LYS A 49 -13.407 3.018 5.734 1.00 0.00 N ATOM 0 H LYS A 49 -16.331 -0.494 3.771 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.328 1.032 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.734 2.848 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.999 1.416 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.070 2.157 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.350 1.161 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.416 3.358 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.623 4.178 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.313 2.360 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.250 4.100 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.386 3.153 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.933 3.718 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.676 2.060 6.035 1.00 0.00 H new ATOM 611 N ILE A 50 -15.368 0.704 1.313 1.00 0.00 N ATOM 612 CA ILE A 50 -14.318 1.078 0.389 1.00 0.00 C ATOM 613 C ILE A 50 -14.873 1.519 -0.970 1.00 0.00 C ATOM 614 O ILE A 50 -15.793 0.905 -1.525 1.00 0.00 O ATOM 615 CB ILE A 50 -13.298 -0.079 0.170 1.00 0.00 C ATOM 616 CG1 ILE A 50 -12.105 0.431 -0.642 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.956 -1.265 -0.534 1.00 0.00 C ATOM 618 CD1 ILE A 50 -11.213 1.392 0.122 1.00 0.00 C ATOM 0 H ILE A 50 -15.290 -0.250 1.664 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.806 1.923 0.850 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.948 -0.422 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.509 -0.421 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.473 0.927 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.222 -2.058 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.780 -1.637 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.336 -0.947 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.390 1.711 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.793 2.263 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.814 0.894 1.006 1.00 0.00 H new ATOM 630 N GLU A 51 -14.328 2.603 -1.474 1.00 0.00 N ATOM 631 CA GLU A 51 -14.676 3.106 -2.778 1.00 0.00 C ATOM 632 C GLU A 51 -13.478 2.950 -3.705 1.00 0.00 C ATOM 633 O GLU A 51 -12.366 3.344 -3.360 1.00 0.00 O ATOM 634 CB GLU A 51 -15.115 4.560 -2.665 1.00 0.00 C ATOM 635 CG GLU A 51 -16.339 4.734 -1.778 1.00 0.00 C ATOM 636 CD GLU A 51 -16.700 6.174 -1.540 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.236 6.815 -2.463 1.00 0.00 O ATOM 638 OE2 GLU A 51 -16.474 6.671 -0.417 1.00 0.00 O ATOM 0 H GLU A 51 -13.628 3.161 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.509 2.540 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.293 5.154 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.334 4.948 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.187 4.225 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.156 4.249 -0.819 1.00 0.00 H new ATOM 645 N GLN A 52 -13.707 2.384 -4.879 1.00 0.00 N ATOM 646 CA GLN A 52 -12.622 2.064 -5.813 1.00 0.00 C ATOM 647 C GLN A 52 -12.071 3.300 -6.521 1.00 0.00 C ATOM 648 O GLN A 52 -11.053 3.221 -7.219 1.00 0.00 O ATOM 649 CB GLN A 52 -13.087 1.029 -6.837 1.00 0.00 C ATOM 650 CG GLN A 52 -13.624 -0.255 -6.215 1.00 0.00 C ATOM 651 CD GLN A 52 -12.624 -0.931 -5.289 1.00 0.00 C ATOM 652 OE1 GLN A 52 -11.413 -0.828 -5.475 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.128 -1.627 -4.287 1.00 0.00 N ATOM 0 H GLN A 52 -14.637 2.133 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.808 1.646 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.864 1.472 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.253 0.782 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.533 -0.029 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.902 -0.948 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.139 -1.688 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.506 -2.103 -3.633 1.00 0.00 H new ATOM 662 N SER A 53 -12.754 4.431 -6.354 1.00 0.00 N ATOM 663 CA SER A 53 -12.330 5.704 -6.939 1.00 0.00 C ATOM 664 C SER A 53 -10.829 5.978 -6.703 1.00 0.00 C ATOM 665 O SER A 53 -10.299 5.704 -5.619 1.00 0.00 O ATOM 666 CB SER A 53 -13.182 6.831 -6.365 1.00 0.00 C ATOM 667 OG SER A 53 -13.356 6.665 -4.965 1.00 0.00 O ATOM 0 H SER A 53 -13.615 4.492 -5.811 1.00 0.00 H new ATOM 0 HA SER A 53 -12.474 5.650 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.707 7.791 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.154 6.846 -6.858 1.00 0.00 H new ATOM 0 HG SER A 53 -13.904 7.398 -4.614 1.00 0.00 H new ATOM 673 N PRO A 54 -10.140 6.548 -7.719 1.00 0.00 N ATOM 674 CA PRO A 54 -8.683 6.805 -7.682 1.00 0.00 C ATOM 675 C PRO A 54 -8.242 7.673 -6.499 1.00 0.00 C ATOM 676 O PRO A 54 -7.076 7.642 -6.096 1.00 0.00 O ATOM 677 CB PRO A 54 -8.406 7.530 -9.007 1.00 0.00 C ATOM 678 CG PRO A 54 -9.741 8.004 -9.477 1.00 0.00 C ATOM 679 CD PRO A 54 -10.729 6.993 -8.992 1.00 0.00 C ATOM 0 HA PRO A 54 -8.128 5.875 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.719 8.364 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.947 6.860 -9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.967 8.993 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.766 8.085 -10.564 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.718 7.429 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.843 6.168 -9.696 1.00 0.00 H new ATOM 687 N GLU A 55 -9.175 8.426 -5.935 1.00 0.00 N ATOM 688 CA GLU A 55 -8.866 9.278 -4.796 1.00 0.00 C ATOM 689 C GLU A 55 -8.552 8.441 -3.563 1.00 0.00 C ATOM 690 O GLU A 55 -7.868 8.897 -2.649 1.00 0.00 O ATOM 691 CB GLU A 55 -9.997 10.257 -4.512 1.00 0.00 C ATOM 692 CG GLU A 55 -10.149 11.325 -5.579 1.00 0.00 C ATOM 693 CD GLU A 55 -11.169 12.368 -5.207 1.00 0.00 C ATOM 694 OE1 GLU A 55 -10.817 13.318 -4.475 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.329 12.248 -5.641 1.00 0.00 O ATOM 0 H GLU A 55 -10.146 8.465 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.980 9.860 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.933 9.705 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.819 10.737 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.186 11.807 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.439 10.856 -6.519 1.00 0.00 H new ATOM 702 N LEU A 56 -9.050 7.212 -3.545 1.00 0.00 N ATOM 703 CA LEU A 56 -8.758 6.301 -2.456 1.00 0.00 C ATOM 704 C LEU A 56 -7.385 5.683 -2.653 1.00 0.00 C ATOM 705 O LEU A 56 -6.672 5.427 -1.689 1.00 0.00 O ATOM 706 CB LEU A 56 -9.835 5.211 -2.326 1.00 0.00 C ATOM 707 CG LEU A 56 -11.079 5.576 -1.487 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.695 5.852 -0.040 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.815 6.771 -2.079 1.00 0.00 C ATOM 0 H LEU A 56 -9.655 6.828 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.761 6.870 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.166 4.936 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.375 4.325 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.753 4.720 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.588 6.107 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.231 4.964 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.991 6.683 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.686 7.003 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.149 7.633 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.138 6.534 -3.093 1.00 0.00 H new ATOM 721 N SER A 57 -7.016 5.454 -3.914 1.00 0.00 N ATOM 722 CA SER A 57 -5.696 4.939 -4.239 1.00 0.00 C ATOM 723 C SER A 57 -4.630 5.957 -3.818 1.00 0.00 C ATOM 724 O SER A 57 -3.702 5.630 -3.086 1.00 0.00 O ATOM 725 CB SER A 57 -5.600 4.652 -5.739 1.00 0.00 C ATOM 726 OG SER A 57 -6.670 3.818 -6.160 1.00 0.00 O ATOM 0 H SER A 57 -7.616 5.619 -4.722 1.00 0.00 H new ATOM 0 HA SER A 57 -5.528 4.007 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.622 5.589 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.648 4.171 -5.962 1.00 0.00 H new ATOM 0 HG SER A 57 -6.593 3.647 -7.122 1.00 0.00 H new ATOM 732 N ALA A 58 -4.776 7.187 -4.315 1.00 0.00 N ATOM 733 CA ALA A 58 -3.900 8.299 -3.925 1.00 0.00 C ATOM 734 C ALA A 58 -3.748 8.375 -2.400 1.00 0.00 C ATOM 735 O ALA A 58 -2.663 8.624 -1.884 1.00 0.00 O ATOM 736 CB ALA A 58 -4.442 9.613 -4.470 1.00 0.00 C ATOM 0 H ALA A 58 -5.496 7.441 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.914 8.119 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.783 10.429 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.491 9.563 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.440 9.789 -4.069 1.00 0.00 H new ATOM 742 N LYS A 59 -4.845 8.139 -1.696 1.00 0.00 N ATOM 743 CA LYS A 59 -4.857 8.148 -0.237 1.00 0.00 C ATOM 744 C LYS A 59 -4.062 6.958 0.327 1.00 0.00 C ATOM 745 O LYS A 59 -3.155 7.131 1.148 1.00 0.00 O ATOM 746 CB LYS A 59 -6.307 8.086 0.259 1.00 0.00 C ATOM 747 CG LYS A 59 -6.464 8.059 1.772 1.00 0.00 C ATOM 748 CD LYS A 59 -7.915 7.821 2.165 1.00 0.00 C ATOM 749 CE LYS A 59 -8.125 7.944 3.668 1.00 0.00 C ATOM 750 NZ LYS A 59 -7.961 9.343 4.141 1.00 0.00 N ATOM 0 H LYS A 59 -5.752 7.936 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.386 9.067 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.847 8.948 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.781 7.197 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.836 7.274 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.119 9.003 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.553 8.539 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.222 6.828 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.123 7.589 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.415 7.300 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.307 9.422 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.955 9.605 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.506 9.983 3.528 1.00 0.00 H new ATOM 764 N VAL A 60 -4.413 5.762 -0.135 1.00 0.00 N ATOM 765 CA VAL A 60 -3.808 4.518 0.344 1.00 0.00 C ATOM 766 C VAL A 60 -2.299 4.424 0.046 1.00 0.00 C ATOM 767 O VAL A 60 -1.616 3.627 0.634 1.00 0.00 O ATOM 768 CB VAL A 60 -4.544 3.255 -0.201 1.00 0.00 C ATOM 769 CG1 VAL A 60 -4.147 2.945 -1.634 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.303 2.049 0.703 1.00 0.00 C ATOM 0 H VAL A 60 -5.125 5.625 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.925 4.544 1.427 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.611 3.476 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.681 2.059 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.401 3.791 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.073 2.763 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.827 1.182 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.235 1.838 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.675 2.265 1.705 1.00 0.00 H new ATOM 780 N VAL A 61 -1.795 5.217 -0.881 1.00 0.00 N ATOM 781 CA VAL A 61 -0.358 5.183 -1.178 1.00 0.00 C ATOM 782 C VAL A 61 0.372 6.376 -0.529 1.00 0.00 C ATOM 783 O VAL A 61 1.604 6.404 -0.451 1.00 0.00 O ATOM 784 CB VAL A 61 -0.076 5.146 -2.709 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.405 6.477 -3.370 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.373 4.730 -2.989 1.00 0.00 C ATOM 0 H VAL A 61 -2.336 5.881 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 61 0.030 4.259 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.732 4.395 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.196 6.414 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.460 6.707 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.205 7.264 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.545 4.712 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.053 5.445 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.553 3.737 -2.576 1.00 0.00 H new ATOM 796 N GLU A 62 -0.399 7.331 -0.029 1.00 0.00 N ATOM 797 CA GLU A 62 0.162 8.561 0.529 1.00 0.00 C ATOM 798 C GLU A 62 0.653 8.368 1.967 1.00 0.00 C ATOM 799 O GLU A 62 1.830 8.533 2.258 1.00 0.00 O ATOM 800 CB GLU A 62 -0.873 9.689 0.480 1.00 0.00 C ATOM 801 CG GLU A 62 -0.312 11.058 0.835 1.00 0.00 C ATOM 802 CD GLU A 62 0.728 11.528 -0.160 1.00 0.00 C ATOM 803 OE1 GLU A 62 0.353 12.175 -1.150 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.927 11.249 0.042 1.00 0.00 O ATOM 0 H GLU A 62 -1.417 7.281 0.003 1.00 0.00 H new ATOM 0 HA GLU A 62 1.023 8.830 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.302 9.732 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.687 9.452 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.126 11.782 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.131 11.020 1.830 1.00 0.00 H new ATOM 811 N LYS A 63 -0.252 8.041 2.860 1.00 0.00 N ATOM 812 CA LYS A 63 0.099 7.876 4.266 1.00 0.00 C ATOM 813 C LYS A 63 0.643 6.481 4.557 1.00 0.00 C ATOM 814 O LYS A 63 1.347 6.269 5.524 1.00 0.00 O ATOM 815 CB LYS A 63 -1.107 8.180 5.142 1.00 0.00 C ATOM 816 CG LYS A 63 -1.646 9.582 4.941 1.00 0.00 C ATOM 817 CD LYS A 63 -2.871 9.834 5.788 1.00 0.00 C ATOM 818 CE LYS A 63 -3.408 11.233 5.565 1.00 0.00 C ATOM 819 NZ LYS A 63 -4.575 11.521 6.432 1.00 0.00 N ATOM 0 H LYS A 63 -1.237 7.883 2.646 1.00 0.00 H new ATOM 0 HA LYS A 63 0.895 8.584 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.896 7.459 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.831 8.049 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.874 10.309 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.893 9.730 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.642 9.102 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.623 9.699 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.620 11.960 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.694 11.350 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.913 12.487 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.336 10.843 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.296 11.435 7.430 1.00 0.00 H new ATOM 833 N LEU A 64 0.335 5.554 3.694 1.00 0.00 N ATOM 834 CA LEU A 64 0.734 4.160 3.861 1.00 0.00 C ATOM 835 C LEU A 64 2.250 3.959 3.815 1.00 0.00 C ATOM 836 O LEU A 64 2.757 2.971 4.330 1.00 0.00 O ATOM 837 CB LEU A 64 0.033 3.291 2.826 1.00 0.00 C ATOM 838 CG LEU A 64 0.373 1.795 2.809 1.00 0.00 C ATOM 839 CD1 LEU A 64 -0.849 0.994 2.419 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.499 1.513 1.824 1.00 0.00 C ATOM 0 H LEU A 64 -0.203 5.732 2.846 1.00 0.00 H new ATOM 0 HA LEU A 64 0.423 3.854 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.042 3.390 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.255 3.698 1.839 1.00 0.00 H new ATOM 0 HG LEU A 64 0.697 1.504 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.600 -0.067 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.647 1.173 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.182 1.298 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.726 0.447 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.192 1.817 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.387 2.073 2.116 1.00 0.00 H new ATOM 852 N ASN A 65 2.987 4.914 3.252 1.00 0.00 N ATOM 853 CA ASN A 65 4.415 4.685 3.026 1.00 0.00 C ATOM 854 C ASN A 65 5.209 5.106 4.252 1.00 0.00 C ATOM 855 O ASN A 65 6.418 4.888 4.339 1.00 0.00 O ATOM 856 CB ASN A 65 4.950 5.354 1.742 1.00 0.00 C ATOM 857 CG ASN A 65 4.803 6.856 1.714 1.00 0.00 C ATOM 858 OD1 ASN A 65 5.574 7.580 2.335 1.00 0.00 O ATOM 859 ND2 ASN A 65 3.847 7.332 0.947 1.00 0.00 N ATOM 0 H ASN A 65 2.637 5.824 2.952 1.00 0.00 H new ATOM 0 HA ASN A 65 4.547 3.615 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.004 5.102 1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.427 4.934 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.725 8.340 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.228 6.693 0.448 1.00 0.00 H new ATOM 866 N GLN A 66 4.498 5.682 5.220 1.00 0.00 N ATOM 867 CA GLN A 66 5.129 6.213 6.419 1.00 0.00 C ATOM 868 C GLN A 66 5.389 5.068 7.384 1.00 0.00 C ATOM 869 O GLN A 66 6.290 5.126 8.216 1.00 0.00 O ATOM 870 CB GLN A 66 4.243 7.282 7.079 1.00 0.00 C ATOM 871 CG GLN A 66 3.059 6.720 7.846 1.00 0.00 C ATOM 872 CD GLN A 66 2.020 7.767 8.170 1.00 0.00 C ATOM 873 OE1 GLN A 66 2.338 8.943 8.358 1.00 0.00 O ATOM 874 NE2 GLN A 66 0.774 7.352 8.225 1.00 0.00 N ATOM 0 H GLN A 66 3.484 5.791 5.194 1.00 0.00 H new ATOM 0 HA GLN A 66 6.072 6.688 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.854 7.875 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.874 7.959 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.597 5.925 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.414 6.268 8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.556 6.369 8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.025 8.013 8.430 1.00 0.00 H new ATOM 883 N VAL A 67 4.570 4.023 7.252 1.00 0.00 N ATOM 884 CA VAL A 67 4.694 2.815 8.054 1.00 0.00 C ATOM 885 C VAL A 67 6.113 2.264 7.975 1.00 0.00 C ATOM 886 O VAL A 67 6.727 1.939 8.995 1.00 0.00 O ATOM 887 CB VAL A 67 3.702 1.726 7.574 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.810 0.468 8.426 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.275 2.257 7.583 1.00 0.00 C ATOM 0 H VAL A 67 3.801 3.995 6.582 1.00 0.00 H new ATOM 0 HA VAL A 67 4.462 3.080 9.086 1.00 0.00 H new ATOM 0 HB VAL A 67 3.966 1.462 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.102 -0.278 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.822 0.069 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.583 0.711 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.594 1.477 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.005 2.558 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.203 3.117 6.918 1.00 0.00 H new ATOM 899 N CYS A 68 6.636 2.193 6.769 1.00 0.00 N ATOM 900 CA CYS A 68 7.966 1.665 6.550 1.00 0.00 C ATOM 901 C CYS A 68 9.014 2.753 6.705 1.00 0.00 C ATOM 902 O CYS A 68 10.205 2.468 6.778 1.00 0.00 O ATOM 903 CB CYS A 68 8.065 1.033 5.177 1.00 0.00 C ATOM 904 SG CYS A 68 6.588 0.099 4.696 1.00 0.00 S ATOM 0 H CYS A 68 6.157 2.496 5.921 1.00 0.00 H new ATOM 0 HA CYS A 68 8.154 0.900 7.303 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.246 1.815 4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.928 0.368 5.154 1.00 0.00 H new ATOM 909 N ALA A 69 8.577 4.010 6.733 1.00 0.00 N ATOM 910 CA ALA A 69 9.495 5.108 6.961 1.00 0.00 C ATOM 911 C ALA A 69 9.928 5.110 8.419 1.00 0.00 C ATOM 912 O ALA A 69 11.064 5.462 8.743 1.00 0.00 O ATOM 913 CB ALA A 69 8.845 6.435 6.595 1.00 0.00 C ATOM 0 H ALA A 69 7.604 4.285 6.602 1.00 0.00 H new ATOM 0 HA ALA A 69 10.372 4.978 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.550 7.247 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.563 6.424 5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.956 6.586 7.207 1.00 0.00 H new ATOM 919 N LYS A 70 9.012 4.709 9.291 1.00 0.00 N ATOM 920 CA LYS A 70 9.296 4.614 10.713 1.00 0.00 C ATOM 921 C LYS A 70 10.155 3.393 10.986 1.00 0.00 C ATOM 922 O LYS A 70 11.140 3.463 11.728 1.00 0.00 O ATOM 923 CB LYS A 70 8.002 4.535 11.522 1.00 0.00 C ATOM 924 CG LYS A 70 7.091 5.734 11.348 1.00 0.00 C ATOM 925 CD LYS A 70 5.874 5.635 12.249 1.00 0.00 C ATOM 926 CE LYS A 70 4.953 6.825 12.069 1.00 0.00 C ATOM 927 NZ LYS A 70 3.833 6.808 13.038 1.00 0.00 N ATOM 0 H LYS A 70 8.061 4.443 9.034 1.00 0.00 H new ATOM 0 HA LYS A 70 9.836 5.510 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.460 3.635 11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.252 4.432 12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.641 6.647 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.772 5.804 10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.331 4.716 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.194 5.575 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.523 7.746 12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.555 6.826 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.226 7.638 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.274 5.941 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.211 6.833 14.006 1.00 0.00 H new ATOM 941 N ASP A 71 9.806 2.283 10.350 1.00 0.00 N ATOM 942 CA ASP A 71 10.528 1.028 10.495 1.00 0.00 C ATOM 943 C ASP A 71 10.781 0.462 9.102 1.00 0.00 C ATOM 944 O ASP A 71 9.856 -0.012 8.447 1.00 0.00 O ATOM 945 CB ASP A 71 9.713 0.013 11.323 1.00 0.00 C ATOM 946 CG ASP A 71 9.808 0.212 12.830 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.368 1.265 13.333 1.00 0.00 O ATOM 948 OD2 ASP A 71 10.288 -0.709 13.521 1.00 0.00 O ATOM 0 H ASP A 71 9.009 2.228 9.715 1.00 0.00 H new ATOM 0 HA ASP A 71 11.468 1.210 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.666 0.076 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.053 -0.993 11.079 1.00 0.00 H new ATOM 953 N PRO A 72 12.034 0.510 8.620 1.00 0.00 N ATOM 954 CA PRO A 72 12.379 0.078 7.247 1.00 0.00 C ATOM 955 C PRO A 72 12.145 -1.415 6.999 1.00 0.00 C ATOM 956 O PRO A 72 12.115 -1.865 5.858 1.00 0.00 O ATOM 957 CB PRO A 72 13.870 0.415 7.133 1.00 0.00 C ATOM 958 CG PRO A 72 14.362 0.477 8.539 1.00 0.00 C ATOM 959 CD PRO A 72 13.213 0.984 9.362 1.00 0.00 C ATOM 0 HA PRO A 72 11.751 0.574 6.507 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.403 -0.345 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.022 1.365 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.683 -0.506 8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.223 1.141 8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.237 0.586 10.376 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.226 2.071 9.446 1.00 0.00 H new ATOM 967 N GLN A 73 11.981 -2.167 8.069 1.00 0.00 N ATOM 968 CA GLN A 73 11.759 -3.608 7.973 1.00 0.00 C ATOM 969 C GLN A 73 10.289 -3.933 7.765 1.00 0.00 C ATOM 970 O GLN A 73 9.909 -5.101 7.655 1.00 0.00 O ATOM 971 CB GLN A 73 12.282 -4.289 9.216 1.00 0.00 C ATOM 972 CG GLN A 73 13.727 -3.964 9.475 1.00 0.00 C ATOM 973 CD GLN A 73 14.180 -4.346 10.848 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.733 -5.338 11.422 1.00 0.00 O ATOM 975 NE2 GLN A 73 15.035 -3.535 11.398 1.00 0.00 N ATOM 0 H GLN A 73 11.996 -1.807 9.023 1.00 0.00 H new ATOM 0 HA GLN A 73 12.301 -3.980 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.683 -3.985 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.167 -5.368 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.346 -4.478 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.883 -2.895 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.376 -2.725 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.365 -3.709 12.348 1.00 0.00 H new ATOM 984 N MET A 74 9.472 -2.905 7.701 1.00 0.00 N ATOM 985 CA MET A 74 8.044 -3.087 7.469 1.00 0.00 C ATOM 986 C MET A 74 7.786 -3.326 5.989 1.00 0.00 C ATOM 987 O MET A 74 8.014 -2.451 5.160 1.00 0.00 O ATOM 988 CB MET A 74 7.239 -1.878 7.954 1.00 0.00 C ATOM 989 CG MET A 74 7.323 -1.631 9.453 1.00 0.00 C ATOM 990 SD MET A 74 6.591 -2.958 10.437 1.00 0.00 S ATOM 991 CE MET A 74 4.866 -2.824 9.972 1.00 0.00 C ATOM 0 H MET A 74 9.765 -1.934 7.805 1.00 0.00 H new ATOM 0 HA MET A 74 7.718 -3.956 8.040 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.590 -0.989 7.431 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.194 -2.018 7.679 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.369 -1.512 9.737 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.820 -0.693 9.689 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.254 -3.384 10.679 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.567 -1.776 9.983 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.727 -3.231 8.970 1.00 0.00 H new ATOM 1001 N LEU A 75 7.325 -4.512 5.668 1.00 0.00 N ATOM 1002 CA LEU A 75 7.051 -4.898 4.289 1.00 0.00 C ATOM 1003 C LEU A 75 5.794 -4.210 3.776 1.00 0.00 C ATOM 1004 O LEU A 75 4.927 -3.814 4.564 1.00 0.00 O ATOM 1005 CB LEU A 75 6.883 -6.413 4.215 1.00 0.00 C ATOM 1006 CG LEU A 75 8.006 -7.233 4.855 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.638 -8.702 4.896 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.317 -7.027 4.106 1.00 0.00 C ATOM 0 H LEU A 75 7.127 -5.243 6.351 1.00 0.00 H new ATOM 0 HA LEU A 75 7.888 -4.589 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.942 -6.681 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.799 -6.701 3.167 1.00 0.00 H new ATOM 0 HG LEU A 75 8.141 -6.886 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.449 -9.268 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.728 -8.833 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.472 -9.064 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.102 -7.619 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.197 -7.342 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.591 -5.972 4.135 1.00 0.00 H new ATOM 1020 N LEU A 76 5.693 -4.076 2.457 1.00 0.00 N ATOM 1021 CA LEU A 76 4.532 -3.450 1.833 1.00 0.00 C ATOM 1022 C LEU A 76 3.281 -4.242 2.155 1.00 0.00 C ATOM 1023 O LEU A 76 2.215 -3.673 2.399 1.00 0.00 O ATOM 1024 CB LEU A 76 4.711 -3.353 0.313 1.00 0.00 C ATOM 1025 CG LEU A 76 3.526 -2.755 -0.458 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.292 -1.309 -0.056 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.748 -2.863 -1.956 1.00 0.00 C ATOM 0 H LEU A 76 6.404 -4.394 1.798 1.00 0.00 H new ATOM 0 HA LEU A 76 4.433 -2.440 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.596 -2.751 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.907 -4.352 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 76 2.635 -3.328 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.447 -0.908 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.077 -1.258 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.184 -0.722 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.896 -2.433 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.654 -2.322 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.854 -3.912 -2.233 1.00 0.00 H new ATOM 1039 N ILE A 77 3.428 -5.561 2.170 1.00 0.00 N ATOM 1040 CA ILE A 77 2.331 -6.453 2.481 1.00 0.00 C ATOM 1041 C ILE A 77 1.760 -6.125 3.877 1.00 0.00 C ATOM 1042 O ILE A 77 0.544 -6.082 4.067 1.00 0.00 O ATOM 1043 CB ILE A 77 2.786 -7.949 2.406 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.594 -8.899 2.492 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.821 -8.283 3.471 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.835 -9.027 1.188 1.00 0.00 C ATOM 0 H ILE A 77 4.308 -6.035 1.967 1.00 0.00 H new ATOM 0 HA ILE A 77 1.546 -6.306 1.739 1.00 0.00 H new ATOM 0 HB ILE A 77 3.259 -8.087 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.945 -9.884 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.913 -8.548 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.109 -9.331 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.700 -7.653 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.397 -8.105 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.001 -9.716 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.455 -8.050 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.502 -9.407 0.414 1.00 0.00 H new ATOM 1058 N THR A 78 2.653 -5.869 4.835 1.00 0.00 N ATOM 1059 CA THR A 78 2.257 -5.510 6.181 1.00 0.00 C ATOM 1060 C THR A 78 1.653 -4.108 6.205 1.00 0.00 C ATOM 1061 O THR A 78 0.615 -3.883 6.823 1.00 0.00 O ATOM 1062 CB THR A 78 3.468 -5.538 7.126 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.363 -6.588 6.730 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.023 -5.771 8.564 1.00 0.00 C ATOM 0 H THR A 78 3.662 -5.907 4.692 1.00 0.00 H new ATOM 0 HA THR A 78 1.515 -6.236 6.513 1.00 0.00 H new ATOM 0 HB THR A 78 3.976 -4.575 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.136 -6.604 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.896 -5.787 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.354 -4.968 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.500 -6.725 8.633 1.00 0.00 H new ATOM 1072 N ALA A 79 2.323 -3.173 5.532 1.00 0.00 N ATOM 1073 CA ALA A 79 1.873 -1.783 5.462 1.00 0.00 C ATOM 1074 C ALA A 79 0.417 -1.683 5.020 1.00 0.00 C ATOM 1075 O ALA A 79 -0.389 -1.011 5.666 1.00 0.00 O ATOM 1076 CB ALA A 79 2.767 -0.986 4.527 1.00 0.00 C ATOM 0 H ALA A 79 3.188 -3.356 5.023 1.00 0.00 H new ATOM 0 HA ALA A 79 1.942 -1.362 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.420 0.047 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.792 -1.010 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.730 -1.422 3.529 1.00 0.00 H new ATOM 1082 N ILE A 80 0.079 -2.362 3.931 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.284 -2.350 3.420 1.00 0.00 C ATOM 1084 C ILE A 80 -2.243 -2.983 4.423 1.00 0.00 C ATOM 1085 O ILE A 80 -3.298 -2.420 4.722 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.390 -3.078 2.054 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.440 -2.432 1.034 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.829 -3.044 1.538 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.418 -3.121 -0.313 1.00 0.00 C ATOM 0 H ILE A 80 0.730 -2.927 3.386 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.564 -1.307 3.270 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.099 -4.119 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.730 -1.391 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.570 -2.429 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.884 -3.559 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.484 -3.540 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.146 -2.009 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.277 -2.604 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.098 -4.155 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.417 -3.101 -0.748 1.00 0.00 H new ATOM 1101 N ASP A 81 -1.848 -4.131 4.967 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.671 -4.865 5.935 1.00 0.00 C ATOM 1103 C ASP A 81 -2.968 -4.018 7.173 1.00 0.00 C ATOM 1104 O ASP A 81 -4.085 -4.005 7.671 1.00 0.00 O ATOM 1105 CB ASP A 81 -1.965 -6.160 6.354 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.808 -7.020 7.278 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.595 -7.845 6.768 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.683 -6.887 8.512 1.00 0.00 O ATOM 0 H ASP A 81 -0.957 -4.579 4.754 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.618 -5.105 5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.711 -6.734 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.027 -5.912 6.852 1.00 0.00 H new ATOM 1113 N ASP A 82 -1.973 -3.299 7.637 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.117 -2.477 8.836 1.00 0.00 C ATOM 1115 C ASP A 82 -2.876 -1.183 8.554 1.00 0.00 C ATOM 1116 O ASP A 82 -3.645 -0.703 9.397 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.750 -2.165 9.449 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.871 -1.367 10.730 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.510 -1.860 11.682 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.331 -0.245 10.795 1.00 0.00 O ATOM 0 H ASP A 82 -1.049 -3.260 7.207 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.702 -3.055 9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.222 -3.097 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.149 -1.608 8.730 1.00 0.00 H new ATOM 1125 N THR A 83 -2.694 -0.633 7.364 1.00 0.00 N ATOM 1126 CA THR A 83 -3.351 0.606 7.003 1.00 0.00 C ATOM 1127 C THR A 83 -4.840 0.367 6.784 1.00 0.00 C ATOM 1128 O THR A 83 -5.676 1.178 7.187 1.00 0.00 O ATOM 1129 CB THR A 83 -2.717 1.241 5.742 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.323 1.478 5.977 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.396 2.560 5.388 1.00 0.00 C ATOM 0 H THR A 83 -2.098 -1.026 6.636 1.00 0.00 H new ATOM 0 HA THR A 83 -3.219 1.306 7.828 1.00 0.00 H new ATOM 0 HB THR A 83 -2.848 0.550 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.847 0.622 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.929 2.982 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.454 2.384 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.291 3.258 6.219 1.00 0.00 H new ATOM 1139 N MET A 84 -5.175 -0.776 6.181 1.00 0.00 N ATOM 1140 CA MET A 84 -6.572 -1.127 5.952 1.00 0.00 C ATOM 1141 C MET A 84 -7.287 -1.408 7.271 1.00 0.00 C ATOM 1142 O MET A 84 -8.498 -1.418 7.332 1.00 0.00 O ATOM 1143 CB MET A 84 -6.718 -2.321 4.997 1.00 0.00 C ATOM 1144 CG MET A 84 -6.004 -3.577 5.445 1.00 0.00 C ATOM 1145 SD MET A 84 -6.977 -5.062 5.183 1.00 0.00 S ATOM 1146 CE MET A 84 -8.297 -4.766 6.349 1.00 0.00 C ATOM 0 H MET A 84 -4.503 -1.466 5.846 1.00 0.00 H new ATOM 0 HA MET A 84 -7.043 -0.267 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.778 -2.545 4.876 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.339 -2.033 4.016 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.061 -3.666 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.758 -3.492 6.503 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.698 -5.719 6.694 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.912 -4.205 7.200 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.088 -4.194 5.865 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.515 -1.653 8.321 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.083 -1.855 9.648 1.00 0.00 C ATOM 1158 C ARG A 85 -7.400 -0.504 10.270 1.00 0.00 C ATOM 1159 O ARG A 85 -8.424 -0.327 10.930 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.106 -2.609 10.549 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.804 -4.027 10.104 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.703 -4.641 10.954 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.084 -4.727 12.363 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.444 -4.111 13.365 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.386 -3.338 13.121 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -4.867 -4.264 14.611 1.00 0.00 N ATOM 0 H ARG A 85 -5.498 -1.717 8.281 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.993 -2.447 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.171 -2.050 10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.513 -2.638 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.706 -4.635 10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.503 -4.027 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.469 -5.638 10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.796 -4.044 10.859 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.896 -5.297 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.057 -3.211 12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.905 -2.873 13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.679 -4.850 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.381 -3.796 15.376 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.505 0.451 10.044 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.651 1.796 10.575 1.00 0.00 C ATOM 1182 C ALA A 86 -7.797 2.545 9.904 1.00 0.00 C ATOM 1183 O ALA A 86 -8.625 3.154 10.577 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.349 2.569 10.415 1.00 0.00 C ATOM 0 H ALA A 86 -5.661 0.313 9.489 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.888 1.710 11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.471 3.575 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.553 2.057 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.089 2.629 9.358 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.858 2.489 8.578 1.00 0.00 N ATOM 1191 CA ILE A 87 -8.897 3.211 7.849 1.00 0.00 C ATOM 1192 C ILE A 87 -10.065 2.300 7.492 1.00 0.00 C ATOM 1193 O ILE A 87 -11.032 2.740 6.882 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.354 3.858 6.550 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -7.846 2.780 5.578 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -7.247 4.855 6.877 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -7.412 3.320 4.230 1.00 0.00 C ATOM 0 H ILE A 87 -7.212 1.960 7.992 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.242 3.999 8.519 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.169 4.395 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.006 2.259 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.634 2.042 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.875 5.301 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.642 5.637 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.432 4.340 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.067 2.498 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.255 3.816 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.601 4.035 4.368 1.00 0.00 H new ATOM 1209 N GLY A 88 -9.972 1.041 7.891 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.014 0.073 7.570 1.00 0.00 C ATOM 1211 C GLY A 88 -12.163 0.101 8.546 1.00 0.00 C ATOM 1212 O GLY A 88 -13.060 -0.739 8.491 1.00 0.00 O ATOM 0 H GLY A 88 -9.194 0.666 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.391 0.272 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.581 -0.927 7.555 1.00 0.00 H new