USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 41 SER OG : rot 161:sc= 0.567 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -146:sc= -0.61! (180deg=-4.38!) USER MOD Single : A 4 THR OG1 : rot 11:sc= 0.667 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 17 ASN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= 0.207 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= 1.44 (180deg=-3.22!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.115 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -1.07 USER MOD Single : A 44 MET CE :methyl 173:sc=-0.00584 (180deg=-0.142) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 1.13 K(o=1.1,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0341) USER MOD Single : A 69 THR OG1 : rot -92:sc= -1.87! USER MOD Single : A 74 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.139 (180deg=-0.778) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0076) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.03! C(o=-5.2!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 9.333 8.819 2.426 1.00 0.00 N ATOM 41 CA THR A 4 8.651 8.937 3.695 1.00 0.00 C ATOM 42 C THR A 4 7.140 8.761 3.523 1.00 0.00 C ATOM 43 O THR A 4 6.656 8.572 2.405 1.00 0.00 O ATOM 44 CB THR A 4 8.963 10.284 4.356 1.00 0.00 C ATOM 45 OG1 THR A 4 10.234 10.761 3.886 1.00 0.00 O ATOM 46 CG2 THR A 4 9.017 10.117 5.865 1.00 0.00 C ATOM 0 HA THR A 4 9.014 8.142 4.346 1.00 0.00 H new ATOM 0 HB THR A 4 8.182 11.000 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.528 10.215 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.239 11.078 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.055 9.753 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.796 9.400 6.124 1.00 0.00 H new ATOM 54 N GLN A 5 6.405 8.857 4.626 1.00 0.00 N ATOM 55 CA GLN A 5 5.010 8.477 4.674 1.00 0.00 C ATOM 56 C GLN A 5 4.168 9.177 3.609 1.00 0.00 C ATOM 57 O GLN A 5 3.548 8.518 2.789 1.00 0.00 O ATOM 58 CB GLN A 5 4.468 8.780 6.064 1.00 0.00 C ATOM 59 CG GLN A 5 2.985 8.526 6.209 1.00 0.00 C ATOM 60 CD GLN A 5 2.466 8.902 7.576 1.00 0.00 C ATOM 61 OE1 GLN A 5 3.169 8.792 8.579 1.00 0.00 O ATOM 62 NE2 GLN A 5 1.245 9.394 7.611 1.00 0.00 N ATOM 0 H GLN A 5 6.769 9.204 5.514 1.00 0.00 H new ATOM 0 HA GLN A 5 4.944 7.410 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.004 8.173 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.674 9.823 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.446 9.094 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.780 7.472 6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.699 9.466 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.845 9.703 8.497 1.00 0.00 H new ATOM 71 N GLU A 6 4.183 10.500 3.592 1.00 0.00 N ATOM 72 CA GLU A 6 3.300 11.255 2.712 1.00 0.00 C ATOM 73 C GLU A 6 3.662 11.045 1.244 1.00 0.00 C ATOM 74 O GLU A 6 2.792 11.026 0.374 1.00 0.00 O ATOM 75 CB GLU A 6 3.333 12.748 3.058 1.00 0.00 C ATOM 76 CG GLU A 6 4.725 13.365 3.053 1.00 0.00 C ATOM 77 CD GLU A 6 5.499 13.088 4.326 1.00 0.00 C ATOM 78 OE1 GLU A 6 5.376 13.883 5.277 1.00 0.00 O ATOM 79 OE2 GLU A 6 6.230 12.076 4.384 1.00 0.00 O ATOM 0 H GLU A 6 4.794 11.073 4.174 1.00 0.00 H new ATOM 0 HA GLU A 6 2.288 10.882 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.707 13.287 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.890 12.890 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.285 12.978 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.638 14.443 2.914 1.00 0.00 H new ATOM 86 N GLU A 7 4.944 10.857 0.985 1.00 0.00 N ATOM 87 CA GLU A 7 5.438 10.727 -0.375 1.00 0.00 C ATOM 88 C GLU A 7 5.134 9.335 -0.930 1.00 0.00 C ATOM 89 O GLU A 7 4.607 9.194 -2.041 1.00 0.00 O ATOM 90 CB GLU A 7 6.936 11.007 -0.391 1.00 0.00 C ATOM 91 CG GLU A 7 7.502 11.269 -1.774 1.00 0.00 C ATOM 92 CD GLU A 7 8.916 11.800 -1.714 1.00 0.00 C ATOM 93 OE1 GLU A 7 9.087 13.012 -1.450 1.00 0.00 O ATOM 94 OE2 GLU A 7 9.859 11.013 -1.910 1.00 0.00 O ATOM 0 H GLU A 7 5.666 10.791 1.703 1.00 0.00 H new ATOM 0 HA GLU A 7 4.933 11.451 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.140 11.870 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.458 10.157 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.485 10.346 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.867 11.985 -2.296 1.00 0.00 H new ATOM 101 N ILE A 8 5.441 8.308 -0.147 1.00 0.00 N ATOM 102 CA ILE A 8 5.170 6.936 -0.555 1.00 0.00 C ATOM 103 C ILE A 8 3.656 6.708 -0.590 1.00 0.00 C ATOM 104 O ILE A 8 3.146 5.994 -1.452 1.00 0.00 O ATOM 105 CB ILE A 8 5.874 5.916 0.386 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.020 4.531 -0.280 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.136 5.800 1.710 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.768 3.675 -0.264 1.00 0.00 C ATOM 0 H ILE A 8 5.876 8.399 0.771 1.00 0.00 H new ATOM 0 HA ILE A 8 5.576 6.777 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 8 6.877 6.294 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.331 4.674 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.820 3.986 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.648 5.081 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.115 6.773 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.115 5.463 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.972 2.723 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.464 3.494 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.967 4.192 -0.793 1.00 0.00 H new ATOM 120 N VAL A 9 2.943 7.354 0.333 1.00 0.00 N ATOM 121 CA VAL A 9 1.488 7.300 0.357 1.00 0.00 C ATOM 122 C VAL A 9 0.908 7.872 -0.931 1.00 0.00 C ATOM 123 O VAL A 9 -0.058 7.342 -1.459 1.00 0.00 O ATOM 124 CB VAL A 9 0.912 8.044 1.590 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.499 8.560 1.341 1.00 0.00 C ATOM 126 CG2 VAL A 9 0.907 7.124 2.804 1.00 0.00 C ATOM 0 H VAL A 9 3.354 7.921 1.074 1.00 0.00 H new ATOM 0 HA VAL A 9 1.198 6.252 0.435 1.00 0.00 H new ATOM 0 HB VAL A 9 1.556 8.903 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.861 9.074 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.490 9.254 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.158 7.722 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.501 7.658 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.291 6.249 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.926 6.806 3.024 1.00 0.00 H new ATOM 136 N ALA A 10 1.513 8.934 -1.449 1.00 0.00 N ATOM 137 CA ALA A 10 1.083 9.502 -2.719 1.00 0.00 C ATOM 138 C ALA A 10 1.174 8.460 -3.827 1.00 0.00 C ATOM 139 O ALA A 10 0.220 8.253 -4.576 1.00 0.00 O ATOM 140 CB ALA A 10 1.919 10.719 -3.071 1.00 0.00 C ATOM 0 H ALA A 10 2.298 9.416 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 10 0.043 9.814 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.582 11.129 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.809 11.474 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.967 10.430 -3.151 1.00 0.00 H new ATOM 146 N GLY A 11 2.316 7.783 -3.904 1.00 0.00 N ATOM 147 CA GLY A 11 2.497 6.751 -4.913 1.00 0.00 C ATOM 148 C GLY A 11 1.600 5.545 -4.691 1.00 0.00 C ATOM 149 O GLY A 11 1.103 4.947 -5.646 1.00 0.00 O ATOM 0 H GLY A 11 3.117 7.929 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.294 7.173 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.538 6.428 -4.913 1.00 0.00 H new ATOM 153 N LEU A 12 1.397 5.191 -3.429 1.00 0.00 N ATOM 154 CA LEU A 12 0.534 4.072 -3.066 1.00 0.00 C ATOM 155 C LEU A 12 -0.928 4.424 -3.385 1.00 0.00 C ATOM 156 O LEU A 12 -1.633 3.661 -4.044 1.00 0.00 O ATOM 157 CB LEU A 12 0.699 3.760 -1.566 1.00 0.00 C ATOM 158 CG LEU A 12 0.636 2.276 -1.142 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.622 1.601 -1.659 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.877 1.517 -1.596 1.00 0.00 C ATOM 0 H LEU A 12 1.822 5.666 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 12 0.815 3.190 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.658 4.164 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.076 4.300 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 12 0.604 2.254 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.632 0.558 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.499 2.111 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.639 1.649 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.802 0.476 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.955 1.564 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.763 1.968 -1.149 1.00 0.00 H new ATOM 172 N ALA A 13 -1.352 5.606 -2.933 1.00 0.00 N ATOM 173 CA ALA A 13 -2.718 6.097 -3.131 1.00 0.00 C ATOM 174 C ALA A 13 -3.075 6.162 -4.603 1.00 0.00 C ATOM 175 O ALA A 13 -4.152 5.724 -5.013 1.00 0.00 O ATOM 176 CB ALA A 13 -2.867 7.479 -2.520 1.00 0.00 C ATOM 0 H ALA A 13 -0.755 6.253 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.395 5.398 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.886 7.836 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.655 7.429 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.167 8.165 -2.997 1.00 0.00 H new ATOM 182 N GLU A 14 -2.154 6.715 -5.382 1.00 0.00 N ATOM 183 CA GLU A 14 -2.307 6.834 -6.825 1.00 0.00 C ATOM 184 C GLU A 14 -2.678 5.488 -7.437 1.00 0.00 C ATOM 185 O GLU A 14 -3.476 5.408 -8.369 1.00 0.00 O ATOM 186 CB GLU A 14 -0.990 7.347 -7.419 1.00 0.00 C ATOM 187 CG GLU A 14 -0.977 7.483 -8.933 1.00 0.00 C ATOM 188 CD GLU A 14 0.405 7.813 -9.459 1.00 0.00 C ATOM 189 OE1 GLU A 14 1.213 6.880 -9.649 1.00 0.00 O ATOM 190 OE2 GLU A 14 0.703 9.007 -9.668 1.00 0.00 O ATOM 0 H GLU A 14 -1.276 7.095 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.110 7.536 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.765 8.319 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.188 6.671 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.325 6.554 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.676 8.264 -9.233 1.00 0.00 H new ATOM 197 N ILE A 15 -2.110 4.434 -6.878 1.00 0.00 N ATOM 198 CA ILE A 15 -2.297 3.099 -7.402 1.00 0.00 C ATOM 199 C ILE A 15 -3.550 2.412 -6.833 1.00 0.00 C ATOM 200 O ILE A 15 -4.254 1.708 -7.556 1.00 0.00 O ATOM 201 CB ILE A 15 -1.021 2.258 -7.166 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.423 1.855 -8.515 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.293 1.042 -6.292 1.00 0.00 C ATOM 204 CD1 ILE A 15 0.945 1.219 -8.416 1.00 0.00 C ATOM 0 H ILE A 15 -1.511 4.482 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.467 3.181 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.299 2.869 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.101 1.159 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.357 2.739 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.369 0.480 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.670 1.368 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.035 0.406 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.300 0.962 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.640 1.920 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.883 0.316 -7.809 1.00 0.00 H new ATOM 216 N VAL A 16 -3.851 2.627 -5.551 1.00 0.00 N ATOM 217 CA VAL A 16 -5.029 1.999 -4.948 1.00 0.00 C ATOM 218 C VAL A 16 -6.299 2.598 -5.532 1.00 0.00 C ATOM 219 O VAL A 16 -7.355 1.958 -5.558 1.00 0.00 O ATOM 220 CB VAL A 16 -5.080 2.144 -3.412 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.208 1.300 -2.839 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.763 1.753 -2.775 1.00 0.00 C ATOM 0 H VAL A 16 -3.309 3.218 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.955 0.936 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.266 3.193 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.232 1.412 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.158 1.629 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.043 0.253 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.834 1.867 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.536 0.715 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.969 2.396 -3.156 1.00 0.00 H new ATOM 232 N ASN A 17 -6.185 3.829 -6.011 1.00 0.00 N ATOM 233 CA ASN A 17 -7.305 4.512 -6.635 1.00 0.00 C ATOM 234 C ASN A 17 -7.745 3.754 -7.888 1.00 0.00 C ATOM 235 O ASN A 17 -8.896 3.849 -8.310 1.00 0.00 O ATOM 236 CB ASN A 17 -6.919 5.952 -6.982 1.00 0.00 C ATOM 237 CG ASN A 17 -8.123 6.818 -7.299 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.552 6.913 -8.446 1.00 0.00 O ATOM 239 ND2 ASN A 17 -8.679 7.459 -6.278 1.00 0.00 N ATOM 0 H ASN A 17 -5.324 4.375 -5.978 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.140 4.541 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.372 6.389 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.244 5.947 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.492 8.056 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.294 7.355 -5.339 1.00 0.00 H new ATOM 246 N GLU A 18 -6.819 2.986 -8.464 1.00 0.00 N ATOM 247 CA GLU A 18 -7.132 2.142 -9.612 1.00 0.00 C ATOM 248 C GLU A 18 -7.964 0.948 -9.167 1.00 0.00 C ATOM 249 O GLU A 18 -8.934 0.565 -9.826 1.00 0.00 O ATOM 250 CB GLU A 18 -5.851 1.644 -10.293 1.00 0.00 C ATOM 251 CG GLU A 18 -6.098 1.090 -11.686 1.00 0.00 C ATOM 252 CD GLU A 18 -4.825 0.729 -12.422 1.00 0.00 C ATOM 253 OE1 GLU A 18 -4.243 1.619 -13.081 1.00 0.00 O ATOM 254 OE2 GLU A 18 -4.418 -0.449 -12.374 1.00 0.00 O ATOM 0 H GLU A 18 -5.849 2.933 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.698 2.739 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.136 2.465 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.395 0.870 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.729 0.205 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.650 1.826 -12.270 1.00 0.00 H new ATOM 261 N ILE A 19 -7.586 0.375 -8.033 1.00 0.00 N ATOM 262 CA ILE A 19 -8.240 -0.822 -7.522 1.00 0.00 C ATOM 263 C ILE A 19 -9.665 -0.524 -7.084 1.00 0.00 C ATOM 264 O ILE A 19 -10.614 -1.181 -7.517 1.00 0.00 O ATOM 265 CB ILE A 19 -7.484 -1.411 -6.317 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.993 -1.544 -6.618 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.072 -2.762 -5.954 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.187 -2.131 -5.477 1.00 0.00 C ATOM 0 H ILE A 19 -6.826 0.721 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.243 -1.543 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.596 -0.732 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.865 -2.171 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.593 -0.561 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.534 -3.175 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.125 -2.643 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.980 -3.439 -6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.138 -2.194 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.283 -1.494 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.559 -3.129 -5.244 1.00 0.00 H new ATOM 280 N ALA A 20 -9.813 0.473 -6.229 1.00 0.00 N ATOM 281 CA ALA A 20 -11.115 0.811 -5.690 1.00 0.00 C ATOM 282 C ALA A 20 -11.420 2.286 -5.902 1.00 0.00 C ATOM 283 O ALA A 20 -12.062 2.654 -6.888 1.00 0.00 O ATOM 284 CB ALA A 20 -11.182 0.437 -4.221 1.00 0.00 C ATOM 0 H ALA A 20 -9.049 1.060 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.876 0.240 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.164 0.695 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.016 -0.635 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.414 0.982 -3.671 1.00 0.00 H new ATOM 290 N GLY A 21 -10.953 3.136 -4.994 1.00 0.00 N ATOM 291 CA GLY A 21 -11.135 4.559 -5.185 1.00 0.00 C ATOM 292 C GLY A 21 -11.179 5.362 -3.901 1.00 0.00 C ATOM 293 O GLY A 21 -12.135 6.099 -3.664 1.00 0.00 O ATOM 0 H GLY A 21 -10.459 2.869 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.324 4.936 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.062 4.724 -5.734 1.00 0.00 H new ATOM 297 N ILE A 22 -10.164 5.223 -3.060 1.00 0.00 N ATOM 298 CA ILE A 22 -9.983 6.163 -1.963 1.00 0.00 C ATOM 299 C ILE A 22 -9.270 7.392 -2.513 1.00 0.00 C ATOM 300 O ILE A 22 -8.280 7.255 -3.238 1.00 0.00 O ATOM 301 CB ILE A 22 -9.155 5.575 -0.783 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.942 4.508 -0.004 1.00 0.00 C ATOM 303 CG2 ILE A 22 -8.704 6.682 0.159 1.00 0.00 C ATOM 304 CD1 ILE A 22 -11.211 5.022 0.643 1.00 0.00 C ATOM 0 H ILE A 22 -9.465 4.482 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.967 6.407 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.278 5.092 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.197 3.694 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.297 4.089 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.127 6.251 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.085 7.394 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.577 7.195 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.706 4.207 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.964 5.815 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.878 5.414 -0.125 1.00 0.00 H new ATOM 316 N PRO A 23 -9.784 8.599 -2.236 1.00 0.00 N ATOM 317 CA PRO A 23 -9.119 9.839 -2.634 1.00 0.00 C ATOM 318 C PRO A 23 -7.654 9.836 -2.210 1.00 0.00 C ATOM 319 O PRO A 23 -7.331 9.417 -1.100 1.00 0.00 O ATOM 320 CB PRO A 23 -9.899 10.916 -1.883 1.00 0.00 C ATOM 321 CG PRO A 23 -11.256 10.332 -1.689 1.00 0.00 C ATOM 322 CD PRO A 23 -11.056 8.849 -1.531 1.00 0.00 C ATOM 0 HA PRO A 23 -9.114 9.989 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.429 11.152 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.945 11.843 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.740 10.755 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.899 10.549 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.997 8.561 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.877 8.284 -1.971 1.00 0.00 H new ATOM 330 N VAL A 24 -6.774 10.297 -3.091 1.00 0.00 N ATOM 331 CA VAL A 24 -5.333 10.259 -2.832 1.00 0.00 C ATOM 332 C VAL A 24 -4.961 10.989 -1.539 1.00 0.00 C ATOM 333 O VAL A 24 -3.972 10.652 -0.892 1.00 0.00 O ATOM 334 CB VAL A 24 -4.525 10.846 -4.013 1.00 0.00 C ATOM 335 CG1 VAL A 24 -4.678 9.970 -5.247 1.00 0.00 C ATOM 336 CG2 VAL A 24 -4.959 12.275 -4.319 1.00 0.00 C ATOM 0 H VAL A 24 -7.029 10.702 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.072 9.207 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.474 10.867 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.104 10.396 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.310 8.967 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.730 9.918 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.374 12.662 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.017 12.286 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.797 12.900 -3.441 1.00 0.00 H new ATOM 346 N GLU A 25 -5.764 11.973 -1.162 1.00 0.00 N ATOM 347 CA GLU A 25 -5.530 12.725 0.063 1.00 0.00 C ATOM 348 C GLU A 25 -6.060 11.977 1.292 1.00 0.00 C ATOM 349 O GLU A 25 -5.664 12.268 2.421 1.00 0.00 O ATOM 350 CB GLU A 25 -6.174 14.110 -0.037 1.00 0.00 C ATOM 351 CG GLU A 25 -5.689 14.918 -1.232 1.00 0.00 C ATOM 352 CD GLU A 25 -6.260 16.320 -1.261 1.00 0.00 C ATOM 353 OE1 GLU A 25 -7.370 16.505 -1.793 1.00 0.00 O ATOM 354 OE2 GLU A 25 -5.595 17.246 -0.745 1.00 0.00 O ATOM 0 H GLU A 25 -6.586 12.270 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.453 12.840 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.256 13.995 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.965 14.666 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.601 14.974 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.963 14.400 -2.151 1.00 0.00 H new ATOM 361 N ASP A 26 -6.948 11.008 1.066 1.00 0.00 N ATOM 362 CA ASP A 26 -7.614 10.301 2.162 1.00 0.00 C ATOM 363 C ASP A 26 -6.828 9.067 2.575 1.00 0.00 C ATOM 364 O ASP A 26 -7.063 8.500 3.643 1.00 0.00 O ATOM 365 CB ASP A 26 -9.022 9.875 1.750 1.00 0.00 C ATOM 366 CG ASP A 26 -9.938 9.673 2.942 1.00 0.00 C ATOM 367 OD1 ASP A 26 -10.265 10.671 3.618 1.00 0.00 O ATOM 368 OD2 ASP A 26 -10.349 8.521 3.199 1.00 0.00 O ATOM 0 H ASP A 26 -7.223 10.695 0.135 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.671 10.988 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.449 10.631 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.965 8.949 1.178 1.00 0.00 H new ATOM 373 N VAL A 27 -5.913 8.635 1.715 1.00 0.00 N ATOM 374 CA VAL A 27 -5.095 7.468 2.003 1.00 0.00 C ATOM 375 C VAL A 27 -4.189 7.743 3.191 1.00 0.00 C ATOM 376 O VAL A 27 -3.333 8.627 3.160 1.00 0.00 O ATOM 377 CB VAL A 27 -4.272 7.018 0.777 1.00 0.00 C ATOM 378 CG1 VAL A 27 -3.343 5.861 1.131 1.00 0.00 C ATOM 379 CG2 VAL A 27 -5.209 6.610 -0.347 1.00 0.00 C ATOM 0 H VAL A 27 -5.721 9.076 0.815 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.767 6.647 2.252 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.656 7.856 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.777 5.566 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.654 6.174 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.933 5.015 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.625 6.293 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.840 5.786 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.836 7.458 -0.624 1.00 0.00 H new ATOM 389 N LYS A 28 -4.406 6.980 4.242 1.00 0.00 N ATOM 390 CA LYS A 28 -3.741 7.194 5.505 1.00 0.00 C ATOM 391 C LYS A 28 -3.252 5.865 6.033 1.00 0.00 C ATOM 392 O LYS A 28 -3.663 4.815 5.547 1.00 0.00 O ATOM 393 CB LYS A 28 -4.709 7.815 6.519 1.00 0.00 C ATOM 394 CG LYS A 28 -5.142 9.235 6.191 1.00 0.00 C ATOM 395 CD LYS A 28 -6.353 9.650 7.016 1.00 0.00 C ATOM 396 CE LYS A 28 -6.114 9.472 8.509 1.00 0.00 C ATOM 397 NZ LYS A 28 -5.012 10.333 9.020 1.00 0.00 N ATOM 0 H LYS A 28 -5.052 6.191 4.241 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.902 7.874 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.596 7.185 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.238 7.810 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.317 9.922 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.380 9.309 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.593 10.693 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.217 9.058 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.031 9.704 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.878 8.428 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.242 9.734 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.653 10.932 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.370 10.936 9.788 1.00 0.00 H new ATOM 411 N LEU A 29 -2.404 5.906 7.038 1.00 0.00 N ATOM 412 CA LEU A 29 -1.936 4.688 7.679 1.00 0.00 C ATOM 413 C LEU A 29 -2.992 4.178 8.646 1.00 0.00 C ATOM 414 O LEU A 29 -2.850 3.118 9.251 1.00 0.00 O ATOM 415 CB LEU A 29 -0.604 4.929 8.403 1.00 0.00 C ATOM 416 CG LEU A 29 0.656 4.785 7.538 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.558 5.633 6.280 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.891 5.161 8.339 1.00 0.00 C ATOM 0 H LEU A 29 -2.023 6.767 7.431 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.765 3.931 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.618 5.933 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.533 4.231 9.237 1.00 0.00 H new ATOM 0 HG LEU A 29 0.740 3.742 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.465 5.511 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.304 5.316 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.444 6.681 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.777 5.054 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.806 6.195 8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.977 4.504 9.205 1.00 0.00 H new ATOM 430 N ASP A 30 -4.063 4.945 8.760 1.00 0.00 N ATOM 431 CA ASP A 30 -5.099 4.689 9.741 1.00 0.00 C ATOM 432 C ASP A 30 -6.308 3.984 9.125 1.00 0.00 C ATOM 433 O ASP A 30 -7.162 3.484 9.855 1.00 0.00 O ATOM 434 CB ASP A 30 -5.563 6.013 10.363 1.00 0.00 C ATOM 435 CG ASP A 30 -4.420 6.971 10.639 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.945 7.621 9.684 1.00 0.00 O ATOM 437 OD2 ASP A 30 -3.996 7.088 11.806 1.00 0.00 O ATOM 0 H ASP A 30 -4.237 5.762 8.174 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.672 4.036 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.277 6.492 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.089 5.806 11.295 1.00 0.00 H new ATOM 442 N LYS A 31 -6.401 3.937 7.793 1.00 0.00 N ATOM 443 CA LYS A 31 -7.594 3.392 7.163 1.00 0.00 C ATOM 444 C LYS A 31 -7.345 1.959 6.696 1.00 0.00 C ATOM 445 O LYS A 31 -6.244 1.617 6.255 1.00 0.00 O ATOM 446 CB LYS A 31 -8.066 4.305 6.025 1.00 0.00 C ATOM 447 CG LYS A 31 -7.410 4.081 4.677 1.00 0.00 C ATOM 448 CD LYS A 31 -7.483 5.322 3.807 1.00 0.00 C ATOM 449 CE LYS A 31 -8.918 5.731 3.467 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.629 6.406 4.593 1.00 0.00 N ATOM 0 H LYS A 31 -5.681 4.262 7.148 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.399 3.354 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.142 4.180 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.896 5.340 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.367 3.798 4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.898 3.250 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.988 6.147 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.933 5.144 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.902 6.399 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.480 4.844 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.159 7.224 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.289 5.736 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.936 6.729 5.298 1.00 0.00 H new ATOM 464 N SER A 32 -8.361 1.121 6.815 1.00 0.00 N ATOM 465 CA SER A 32 -8.212 -0.300 6.545 1.00 0.00 C ATOM 466 C SER A 32 -8.358 -0.601 5.059 1.00 0.00 C ATOM 467 O SER A 32 -9.267 -0.097 4.408 1.00 0.00 O ATOM 468 CB SER A 32 -9.240 -1.101 7.347 1.00 0.00 C ATOM 469 OG SER A 32 -8.998 -0.998 8.740 1.00 0.00 O ATOM 0 H SER A 32 -9.300 1.401 7.097 1.00 0.00 H new ATOM 0 HA SER A 32 -7.209 -0.595 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.243 -0.738 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.204 -2.148 7.046 1.00 0.00 H new ATOM 0 HG SER A 32 -9.670 -1.518 9.228 1.00 0.00 H new ATOM 475 N PHE A 33 -7.458 -1.429 4.535 1.00 0.00 N ATOM 476 CA PHE A 33 -7.514 -1.865 3.144 1.00 0.00 C ATOM 477 C PHE A 33 -8.833 -2.569 2.868 1.00 0.00 C ATOM 478 O PHE A 33 -9.467 -2.356 1.840 1.00 0.00 O ATOM 479 CB PHE A 33 -6.362 -2.826 2.832 1.00 0.00 C ATOM 480 CG PHE A 33 -5.288 -2.251 1.951 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.612 -1.590 0.780 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.953 -2.389 2.288 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.627 -1.075 -0.039 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.960 -1.875 1.473 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.299 -1.215 0.309 1.00 0.00 C ATOM 0 H PHE A 33 -6.673 -1.815 5.060 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.428 -0.982 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.910 -3.147 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.769 -3.716 2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.649 -1.475 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.683 -2.904 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.896 -0.563 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.922 -1.990 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.527 -0.809 -0.328 1.00 0.00 H new ATOM 495 N THR A 34 -9.243 -3.399 3.806 1.00 0.00 N ATOM 496 CA THR A 34 -10.441 -4.191 3.645 1.00 0.00 C ATOM 497 C THR A 34 -11.698 -3.351 3.883 1.00 0.00 C ATOM 498 O THR A 34 -12.705 -3.518 3.196 1.00 0.00 O ATOM 499 CB THR A 34 -10.415 -5.391 4.613 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.239 -4.923 5.957 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.279 -6.352 4.265 1.00 0.00 C ATOM 0 H THR A 34 -8.759 -3.541 4.692 1.00 0.00 H new ATOM 0 HA THR A 34 -10.469 -4.557 2.619 1.00 0.00 H new ATOM 0 HB THR A 34 -11.363 -5.922 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.225 -5.687 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.284 -7.189 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.416 -6.725 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.326 -5.828 4.333 1.00 0.00 H new ATOM 509 N ASP A 35 -11.621 -2.424 4.837 1.00 0.00 N ATOM 510 CA ASP A 35 -12.795 -1.650 5.250 1.00 0.00 C ATOM 511 C ASP A 35 -12.927 -0.355 4.443 1.00 0.00 C ATOM 512 O ASP A 35 -13.943 -0.114 3.792 1.00 0.00 O ATOM 513 CB ASP A 35 -12.711 -1.329 6.744 1.00 0.00 C ATOM 514 CG ASP A 35 -14.037 -0.878 7.326 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.366 0.322 7.224 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.750 -1.724 7.904 1.00 0.00 O ATOM 0 H ASP A 35 -10.763 -2.190 5.337 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.680 -2.256 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.366 -2.212 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.967 -0.549 6.902 1.00 0.00 H new ATOM 521 N ASP A 36 -11.885 0.470 4.488 1.00 0.00 N ATOM 522 CA ASP A 36 -11.883 1.765 3.804 1.00 0.00 C ATOM 523 C ASP A 36 -11.644 1.595 2.317 1.00 0.00 C ATOM 524 O ASP A 36 -12.442 2.032 1.493 1.00 0.00 O ATOM 525 CB ASP A 36 -10.785 2.673 4.357 1.00 0.00 C ATOM 526 CG ASP A 36 -11.102 3.253 5.712 1.00 0.00 C ATOM 527 OD1 ASP A 36 -11.048 2.504 6.706 1.00 0.00 O ATOM 528 OD2 ASP A 36 -11.359 4.475 5.786 1.00 0.00 O ATOM 0 H ASP A 36 -11.024 0.265 4.994 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.861 2.215 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.856 2.106 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.612 3.488 3.654 1.00 0.00 H new ATOM 533 N LEU A 37 -10.524 0.957 1.988 1.00 0.00 N ATOM 534 CA LEU A 37 -10.094 0.806 0.604 1.00 0.00 C ATOM 535 C LEU A 37 -11.035 -0.133 -0.147 1.00 0.00 C ATOM 536 O LEU A 37 -10.990 -0.199 -1.370 1.00 0.00 O ATOM 537 CB LEU A 37 -8.648 0.273 0.525 1.00 0.00 C ATOM 538 CG LEU A 37 -7.512 1.208 1.006 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.432 2.468 0.172 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.670 1.584 2.465 1.00 0.00 C ATOM 0 H LEU A 37 -9.894 0.533 2.669 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.123 1.790 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.596 -0.646 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.445 0.004 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.586 0.646 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.623 3.098 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.241 2.204 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.375 3.011 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.852 2.241 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.620 2.100 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.652 0.682 3.077 1.00 0.00 H new ATOM 552 N ASP A 38 -11.873 -0.855 0.606 1.00 0.00 N ATOM 553 CA ASP A 38 -12.869 -1.776 0.036 1.00 0.00 C ATOM 554 C ASP A 38 -12.192 -2.772 -0.907 1.00 0.00 C ATOM 555 O ASP A 38 -12.744 -3.190 -1.927 1.00 0.00 O ATOM 556 CB ASP A 38 -13.960 -0.982 -0.699 1.00 0.00 C ATOM 557 CG ASP A 38 -15.148 -1.838 -1.105 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.852 -2.347 -0.210 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.381 -2.009 -2.321 1.00 0.00 O ATOM 0 H ASP A 38 -11.882 -0.819 1.625 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.337 -2.338 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.306 -0.172 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.530 -0.523 -1.589 1.00 0.00 H new ATOM 564 N VAL A 39 -10.994 -3.173 -0.534 1.00 0.00 N ATOM 565 CA VAL A 39 -10.153 -3.968 -1.403 1.00 0.00 C ATOM 566 C VAL A 39 -10.260 -5.460 -1.066 1.00 0.00 C ATOM 567 O VAL A 39 -10.510 -5.830 0.083 1.00 0.00 O ATOM 568 CB VAL A 39 -8.681 -3.490 -1.302 1.00 0.00 C ATOM 569 CG1 VAL A 39 -7.897 -4.277 -0.261 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.008 -3.548 -2.658 1.00 0.00 C ATOM 0 H VAL A 39 -10.579 -2.959 0.373 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.498 -3.834 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.693 -2.452 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.872 -3.909 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.363 -4.152 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.894 -5.333 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.976 -3.209 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.022 -4.573 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.541 -2.903 -3.357 1.00 0.00 H new ATOM 580 N ASP A 40 -10.107 -6.308 -2.080 1.00 0.00 N ATOM 581 CA ASP A 40 -10.013 -7.751 -1.871 1.00 0.00 C ATOM 582 C ASP A 40 -8.553 -8.155 -1.796 1.00 0.00 C ATOM 583 O ASP A 40 -7.685 -7.391 -2.217 1.00 0.00 O ATOM 584 CB ASP A 40 -10.692 -8.535 -3.000 1.00 0.00 C ATOM 585 CG ASP A 40 -12.204 -8.508 -2.924 1.00 0.00 C ATOM 586 OD1 ASP A 40 -12.780 -9.362 -2.214 1.00 0.00 O ATOM 587 OD2 ASP A 40 -12.823 -7.657 -3.593 1.00 0.00 O ATOM 0 H ASP A 40 -10.045 -6.020 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.525 -7.987 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.376 -8.124 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.352 -9.570 -2.969 1.00 0.00 H new ATOM 592 N SER A 41 -8.288 -9.352 -1.278 1.00 0.00 N ATOM 593 CA SER A 41 -6.918 -9.847 -1.128 1.00 0.00 C ATOM 594 C SER A 41 -6.172 -9.845 -2.461 1.00 0.00 C ATOM 595 O SER A 41 -5.008 -9.452 -2.530 1.00 0.00 O ATOM 596 CB SER A 41 -6.918 -11.256 -0.533 1.00 0.00 C ATOM 597 OG SER A 41 -7.499 -11.263 0.760 1.00 0.00 O ATOM 0 H SER A 41 -9.005 -10.001 -0.953 1.00 0.00 H new ATOM 0 HA SER A 41 -6.399 -9.172 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.470 -11.931 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.896 -11.631 -0.478 1.00 0.00 H new ATOM 0 HG SER A 41 -7.767 -12.176 0.993 1.00 0.00 H new ATOM 603 N LEU A 42 -6.835 -10.273 -3.522 1.00 0.00 N ATOM 604 CA LEU A 42 -6.212 -10.242 -4.834 1.00 0.00 C ATOM 605 C LEU A 42 -6.108 -8.813 -5.350 1.00 0.00 C ATOM 606 O LEU A 42 -5.051 -8.396 -5.808 1.00 0.00 O ATOM 607 CB LEU A 42 -6.971 -11.121 -5.832 1.00 0.00 C ATOM 608 CG LEU A 42 -6.452 -11.050 -7.273 1.00 0.00 C ATOM 609 CD1 LEU A 42 -4.935 -11.155 -7.302 1.00 0.00 C ATOM 610 CD2 LEU A 42 -7.073 -12.151 -8.114 1.00 0.00 C ATOM 0 H LEU A 42 -7.787 -10.640 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.205 -10.646 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.923 -12.156 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.022 -10.832 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.739 -10.086 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.586 -11.103 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.502 -10.334 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.628 -12.104 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.694 -12.087 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.814 -13.122 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.157 -12.036 -8.121 1.00 0.00 H new ATOM 622 N SER A 43 -7.199 -8.067 -5.246 1.00 0.00 N ATOM 623 CA SER A 43 -7.247 -6.695 -5.731 1.00 0.00 C ATOM 624 C SER A 43 -6.062 -5.877 -5.196 1.00 0.00 C ATOM 625 O SER A 43 -5.318 -5.250 -5.969 1.00 0.00 O ATOM 626 CB SER A 43 -8.574 -6.065 -5.310 1.00 0.00 C ATOM 627 OG SER A 43 -9.663 -6.904 -5.668 1.00 0.00 O ATOM 0 H SER A 43 -8.070 -8.393 -4.826 1.00 0.00 H new ATOM 0 HA SER A 43 -7.174 -6.698 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.577 -5.896 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.687 -5.091 -5.786 1.00 0.00 H new ATOM 0 HG SER A 43 -10.504 -6.485 -5.389 1.00 0.00 H new ATOM 633 N MET A 44 -5.876 -5.912 -3.875 1.00 0.00 N ATOM 634 CA MET A 44 -4.767 -5.203 -3.242 1.00 0.00 C ATOM 635 C MET A 44 -3.436 -5.689 -3.783 1.00 0.00 C ATOM 636 O MET A 44 -2.690 -4.921 -4.369 1.00 0.00 O ATOM 637 CB MET A 44 -4.778 -5.372 -1.717 1.00 0.00 C ATOM 638 CG MET A 44 -4.983 -6.804 -1.269 1.00 0.00 C ATOM 639 SD MET A 44 -4.223 -7.171 0.315 1.00 0.00 S ATOM 640 CE MET A 44 -4.958 -5.933 1.375 1.00 0.00 C ATOM 0 H MET A 44 -6.477 -6.422 -3.227 1.00 0.00 H new ATOM 0 HA MET A 44 -4.895 -4.146 -3.477 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.835 -5.004 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.569 -4.751 -1.296 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.052 -7.008 -1.207 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.574 -7.475 -2.024 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.671 -6.123 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.608 -4.945 1.077 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.044 -5.976 1.286 1.00 0.00 H new ATOM 650 N VAL A 45 -3.162 -6.976 -3.628 1.00 0.00 N ATOM 651 CA VAL A 45 -1.879 -7.535 -4.023 1.00 0.00 C ATOM 652 C VAL A 45 -1.613 -7.301 -5.513 1.00 0.00 C ATOM 653 O VAL A 45 -0.477 -7.289 -5.955 1.00 0.00 O ATOM 654 CB VAL A 45 -1.804 -9.041 -3.672 1.00 0.00 C ATOM 655 CG1 VAL A 45 -0.524 -9.680 -4.192 1.00 0.00 C ATOM 656 CG2 VAL A 45 -1.901 -9.224 -2.165 1.00 0.00 C ATOM 0 H VAL A 45 -3.813 -7.653 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.099 -7.020 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.643 -9.539 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.510 -10.737 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.482 -9.579 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.338 -9.182 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.848 -10.286 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.077 -8.700 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.848 -8.818 -1.809 1.00 0.00 H new ATOM 666 N GLU A 46 -2.663 -7.073 -6.279 1.00 0.00 N ATOM 667 CA GLU A 46 -2.510 -6.848 -7.704 1.00 0.00 C ATOM 668 C GLU A 46 -1.845 -5.498 -7.973 1.00 0.00 C ATOM 669 O GLU A 46 -0.695 -5.433 -8.427 1.00 0.00 O ATOM 670 CB GLU A 46 -3.892 -6.896 -8.369 1.00 0.00 C ATOM 671 CG GLU A 46 -3.888 -6.727 -9.881 1.00 0.00 C ATOM 672 CD GLU A 46 -3.774 -8.044 -10.618 1.00 0.00 C ATOM 673 OE1 GLU A 46 -4.753 -8.820 -10.609 1.00 0.00 O ATOM 674 OE2 GLU A 46 -2.717 -8.305 -11.224 1.00 0.00 O ATOM 0 H GLU A 46 -3.625 -7.039 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.872 -7.627 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.361 -7.850 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.515 -6.115 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.804 -6.222 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.057 -6.082 -10.168 1.00 0.00 H new ATOM 681 N VAL A 47 -2.525 -4.412 -7.633 1.00 0.00 N ATOM 682 CA VAL A 47 -1.996 -3.104 -7.966 1.00 0.00 C ATOM 683 C VAL A 47 -1.095 -2.568 -6.849 1.00 0.00 C ATOM 684 O VAL A 47 -0.221 -1.744 -7.096 1.00 0.00 O ATOM 685 CB VAL A 47 -3.129 -2.107 -8.293 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.579 -0.835 -8.917 1.00 0.00 C ATOM 687 CG2 VAL A 47 -4.146 -2.750 -9.225 1.00 0.00 C ATOM 0 H VAL A 47 -3.418 -4.411 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.384 -3.216 -8.861 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.622 -1.841 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.400 -0.153 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.887 -0.359 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.055 -1.080 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.939 -2.036 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.654 -3.046 -10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.574 -3.630 -8.745 1.00 0.00 H new ATOM 697 N VAL A 48 -1.273 -3.068 -5.628 1.00 0.00 N ATOM 698 CA VAL A 48 -0.442 -2.625 -4.506 1.00 0.00 C ATOM 699 C VAL A 48 0.933 -3.303 -4.556 1.00 0.00 C ATOM 700 O VAL A 48 1.916 -2.765 -4.053 1.00 0.00 O ATOM 701 CB VAL A 48 -1.127 -2.872 -3.137 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.295 -2.351 -1.970 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.495 -2.220 -3.122 1.00 0.00 C ATOM 0 H VAL A 48 -1.974 -3.770 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.308 -1.548 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.225 -3.950 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.818 -2.548 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.672 -2.855 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.143 -1.277 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.972 -2.397 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.389 -1.147 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.110 -2.646 -3.914 1.00 0.00 H new ATOM 713 N VAL A 49 1.008 -4.476 -5.186 1.00 0.00 N ATOM 714 CA VAL A 49 2.301 -5.087 -5.480 1.00 0.00 C ATOM 715 C VAL A 49 2.952 -4.349 -6.642 1.00 0.00 C ATOM 716 O VAL A 49 4.163 -4.131 -6.666 1.00 0.00 O ATOM 717 CB VAL A 49 2.171 -6.599 -5.782 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.295 -7.103 -6.674 1.00 0.00 C ATOM 719 CG2 VAL A 49 2.158 -7.383 -4.480 1.00 0.00 C ATOM 0 H VAL A 49 0.200 -5.014 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 49 2.934 -5.001 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 49 1.234 -6.749 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.162 -8.169 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.276 -6.565 -7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.253 -6.937 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.066 -8.447 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.086 -7.202 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.313 -7.063 -3.871 1.00 0.00 H new ATOM 729 N ALA A 50 2.135 -3.920 -7.594 1.00 0.00 N ATOM 730 CA ALA A 50 2.621 -3.019 -8.628 1.00 0.00 C ATOM 731 C ALA A 50 3.123 -1.713 -7.997 1.00 0.00 C ATOM 732 O ALA A 50 3.934 -0.990 -8.580 1.00 0.00 O ATOM 733 CB ALA A 50 1.526 -2.742 -9.648 1.00 0.00 C ATOM 0 H ALA A 50 1.151 -4.176 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 50 3.454 -3.494 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.905 -2.066 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.215 -3.678 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.672 -2.282 -9.150 1.00 0.00 H new ATOM 739 N ALA A 51 2.633 -1.424 -6.793 1.00 0.00 N ATOM 740 CA ALA A 51 3.025 -0.229 -6.059 1.00 0.00 C ATOM 741 C ALA A 51 4.299 -0.443 -5.248 1.00 0.00 C ATOM 742 O ALA A 51 5.087 0.486 -5.082 1.00 0.00 O ATOM 743 CB ALA A 51 1.903 0.225 -5.143 1.00 0.00 C ATOM 0 H ALA A 51 1.957 -2.010 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 51 3.228 0.546 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.214 1.119 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.017 0.450 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.671 -0.567 -4.431 1.00 0.00 H new ATOM 749 N GLU A 52 4.510 -1.654 -4.741 1.00 0.00 N ATOM 750 CA GLU A 52 5.674 -1.913 -3.908 1.00 0.00 C ATOM 751 C GLU A 52 6.940 -1.839 -4.753 1.00 0.00 C ATOM 752 O GLU A 52 7.889 -1.124 -4.426 1.00 0.00 O ATOM 753 CB GLU A 52 5.575 -3.271 -3.187 1.00 0.00 C ATOM 754 CG GLU A 52 5.512 -4.477 -4.106 1.00 0.00 C ATOM 755 CD GLU A 52 5.861 -5.772 -3.405 1.00 0.00 C ATOM 756 OE1 GLU A 52 7.055 -5.989 -3.105 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.942 -6.574 -3.153 1.00 0.00 O ATOM 0 H GLU A 52 3.900 -2.458 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 52 5.714 -1.145 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.436 -3.380 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.687 -3.267 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.509 -4.556 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.196 -4.327 -4.942 1.00 0.00 H new ATOM 764 N GLU A 53 6.925 -2.527 -5.876 1.00 0.00 N ATOM 765 CA GLU A 53 8.108 -2.647 -6.700 1.00 0.00 C ATOM 766 C GLU A 53 8.524 -1.312 -7.315 1.00 0.00 C ATOM 767 O GLU A 53 9.703 -1.092 -7.577 1.00 0.00 O ATOM 768 CB GLU A 53 7.872 -3.668 -7.793 1.00 0.00 C ATOM 769 CG GLU A 53 7.463 -5.033 -7.272 1.00 0.00 C ATOM 770 CD GLU A 53 7.426 -6.077 -8.366 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.479 -6.687 -8.649 1.00 0.00 O ATOM 772 OE2 GLU A 53 6.354 -6.285 -8.960 1.00 0.00 O ATOM 0 H GLU A 53 6.104 -3.012 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 53 8.923 -2.975 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.097 -3.297 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.782 -3.772 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.161 -5.347 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.480 -4.962 -6.807 1.00 0.00 H new ATOM 779 N ARG A 54 7.569 -0.412 -7.522 1.00 0.00 N ATOM 780 CA ARG A 54 7.874 0.867 -8.156 1.00 0.00 C ATOM 781 C ARG A 54 8.625 1.789 -7.199 1.00 0.00 C ATOM 782 O ARG A 54 9.169 2.814 -7.608 1.00 0.00 O ATOM 783 CB ARG A 54 6.607 1.554 -8.676 1.00 0.00 C ATOM 784 CG ARG A 54 5.654 2.017 -7.588 1.00 0.00 C ATOM 785 CD ARG A 54 4.434 2.719 -8.165 1.00 0.00 C ATOM 786 NE ARG A 54 4.778 3.961 -8.856 1.00 0.00 N ATOM 787 CZ ARG A 54 3.925 4.969 -9.058 1.00 0.00 C ATOM 788 NH1 ARG A 54 2.659 4.873 -8.654 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.332 6.070 -9.672 1.00 0.00 N ATOM 0 H ARG A 54 6.590 -0.540 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 54 8.518 0.658 -9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.896 2.415 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.079 0.865 -9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.334 1.159 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.176 2.694 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.928 2.049 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.730 2.937 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 54 5.730 4.064 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.336 4.026 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.013 5.647 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.298 6.149 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.680 6.839 -9.826 1.00 0.00 H new ATOM 803 N PHE A 55 8.644 1.423 -5.923 1.00 0.00 N ATOM 804 CA PHE A 55 9.434 2.146 -4.935 1.00 0.00 C ATOM 805 C PHE A 55 10.688 1.358 -4.581 1.00 0.00 C ATOM 806 O PHE A 55 11.468 1.768 -3.722 1.00 0.00 O ATOM 807 CB PHE A 55 8.616 2.424 -3.671 1.00 0.00 C ATOM 808 CG PHE A 55 7.588 3.509 -3.839 1.00 0.00 C ATOM 809 CD1 PHE A 55 7.954 4.843 -3.733 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.263 3.202 -4.102 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.017 5.847 -3.887 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.323 4.202 -4.256 1.00 0.00 C ATOM 813 CZ PHE A 55 5.700 5.526 -4.149 1.00 0.00 C ATOM 0 H PHE A 55 8.122 0.631 -5.549 1.00 0.00 H new ATOM 0 HA PHE A 55 9.725 3.102 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.115 1.506 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.294 2.701 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.983 5.100 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.962 2.168 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.315 6.882 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.293 3.948 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.966 6.309 -4.270 1.00 0.00 H new ATOM 823 N ASP A 56 10.873 0.234 -5.266 1.00 0.00 N ATOM 824 CA ASP A 56 12.006 -0.660 -5.031 1.00 0.00 C ATOM 825 C ASP A 56 12.047 -1.130 -3.583 1.00 0.00 C ATOM 826 O ASP A 56 13.014 -0.891 -2.857 1.00 0.00 O ATOM 827 CB ASP A 56 13.336 -0.004 -5.419 1.00 0.00 C ATOM 828 CG ASP A 56 13.464 0.195 -6.913 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.356 -0.800 -7.661 1.00 0.00 O ATOM 830 OD2 ASP A 56 13.695 1.342 -7.345 1.00 0.00 O ATOM 0 H ASP A 56 10.242 -0.085 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 56 11.863 -1.531 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.423 0.960 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.161 -0.623 -5.065 1.00 0.00 H new ATOM 835 N VAL A 57 10.972 -1.775 -3.168 1.00 0.00 N ATOM 836 CA VAL A 57 10.895 -2.391 -1.853 1.00 0.00 C ATOM 837 C VAL A 57 10.640 -3.884 -2.019 1.00 0.00 C ATOM 838 O VAL A 57 10.248 -4.324 -3.101 1.00 0.00 O ATOM 839 CB VAL A 57 9.764 -1.749 -1.021 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.441 -1.953 -1.719 1.00 0.00 C ATOM 841 CG2 VAL A 57 9.706 -2.306 0.393 1.00 0.00 C ATOM 0 H VAL A 57 10.129 -1.887 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 57 11.836 -2.235 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 57 9.975 -0.683 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.645 -1.499 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.474 -1.488 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.248 -3.020 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.896 -1.825 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.530 -3.381 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.651 -2.112 0.900 1.00 0.00 H new ATOM 851 N LYS A 58 10.889 -4.660 -0.979 1.00 0.00 N ATOM 852 CA LYS A 58 10.623 -6.084 -1.035 1.00 0.00 C ATOM 853 C LYS A 58 9.693 -6.501 0.100 1.00 0.00 C ATOM 854 O LYS A 58 10.073 -6.478 1.273 1.00 0.00 O ATOM 855 CB LYS A 58 11.939 -6.861 -0.967 1.00 0.00 C ATOM 856 CG LYS A 58 11.809 -8.330 -1.333 1.00 0.00 C ATOM 857 CD LYS A 58 13.168 -9.003 -1.398 1.00 0.00 C ATOM 858 CE LYS A 58 13.069 -10.406 -1.970 1.00 0.00 C ATOM 859 NZ LYS A 58 14.406 -11.032 -2.133 1.00 0.00 N ATOM 0 H LYS A 58 11.272 -4.331 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 58 10.128 -6.313 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.660 -6.393 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.343 -6.783 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.184 -8.837 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.307 -8.424 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.842 -8.406 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.602 -9.046 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.456 -11.024 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.565 -10.370 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.296 -11.989 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.982 -10.456 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.877 -11.090 -1.208 1.00 0.00 H new ATOM 873 N ILE A 59 8.473 -6.871 -0.258 1.00 0.00 N ATOM 874 CA ILE A 59 7.497 -7.358 0.705 1.00 0.00 C ATOM 875 C ILE A 59 6.810 -8.607 0.163 1.00 0.00 C ATOM 876 O ILE A 59 6.500 -8.686 -1.023 1.00 0.00 O ATOM 877 CB ILE A 59 6.449 -6.264 1.078 1.00 0.00 C ATOM 878 CG1 ILE A 59 5.127 -6.887 1.547 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.207 -5.312 -0.083 1.00 0.00 C ATOM 880 CD1 ILE A 59 4.107 -5.875 2.025 1.00 0.00 C ATOM 0 H ILE A 59 8.133 -6.843 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 59 8.029 -7.613 1.622 1.00 0.00 H new ATOM 0 HB ILE A 59 6.864 -5.691 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.697 -7.462 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.334 -7.589 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.472 -4.562 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.142 -4.819 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.833 -5.872 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.201 -6.393 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.516 -5.316 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.869 -5.187 1.214 1.00 0.00 H new ATOM 892 N PRO A 60 6.624 -9.632 1.015 1.00 0.00 N ATOM 893 CA PRO A 60 5.909 -10.848 0.629 1.00 0.00 C ATOM 894 C PRO A 60 4.479 -10.541 0.195 1.00 0.00 C ATOM 895 O PRO A 60 3.724 -9.901 0.928 1.00 0.00 O ATOM 896 CB PRO A 60 5.913 -11.699 1.904 1.00 0.00 C ATOM 897 CG PRO A 60 7.017 -11.148 2.739 1.00 0.00 C ATOM 898 CD PRO A 60 7.093 -9.684 2.410 1.00 0.00 C ATOM 0 HA PRO A 60 6.376 -11.348 -0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.957 -11.634 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.081 -12.751 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.817 -11.300 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.960 -11.647 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.462 -9.089 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.109 -9.301 2.509 1.00 0.00 H new ATOM 906 N ASP A 61 4.116 -11.003 -0.998 1.00 0.00 N ATOM 907 CA ASP A 61 2.796 -10.737 -1.569 1.00 0.00 C ATOM 908 C ASP A 61 1.678 -11.212 -0.639 1.00 0.00 C ATOM 909 O ASP A 61 0.639 -10.563 -0.520 1.00 0.00 O ATOM 910 CB ASP A 61 2.659 -11.394 -2.955 1.00 0.00 C ATOM 911 CG ASP A 61 2.844 -12.900 -2.933 1.00 0.00 C ATOM 912 OD1 ASP A 61 1.846 -13.624 -2.729 1.00 0.00 O ATOM 913 OD2 ASP A 61 3.987 -13.369 -3.136 1.00 0.00 O ATOM 0 H ASP A 61 4.722 -11.568 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 61 2.699 -9.657 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.675 -11.163 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.394 -10.956 -3.630 1.00 0.00 H new ATOM 918 N ASP A 62 1.911 -12.322 0.052 1.00 0.00 N ATOM 919 CA ASP A 62 0.915 -12.883 0.960 1.00 0.00 C ATOM 920 C ASP A 62 0.757 -12.012 2.202 1.00 0.00 C ATOM 921 O ASP A 62 -0.255 -12.088 2.896 1.00 0.00 O ATOM 922 CB ASP A 62 1.287 -14.315 1.365 1.00 0.00 C ATOM 923 CG ASP A 62 2.459 -14.379 2.323 1.00 0.00 C ATOM 924 OD1 ASP A 62 3.617 -14.363 1.853 1.00 0.00 O ATOM 925 OD2 ASP A 62 2.230 -14.466 3.549 1.00 0.00 O ATOM 0 H ASP A 62 2.781 -12.852 0.001 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.037 -12.908 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.422 -14.791 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.526 -14.888 0.469 1.00 0.00 H new ATOM 930 N ASP A 63 1.749 -11.175 2.476 1.00 0.00 N ATOM 931 CA ASP A 63 1.713 -10.341 3.664 1.00 0.00 C ATOM 932 C ASP A 63 0.879 -9.088 3.414 1.00 0.00 C ATOM 933 O ASP A 63 0.363 -8.483 4.353 1.00 0.00 O ATOM 934 CB ASP A 63 3.128 -9.971 4.112 1.00 0.00 C ATOM 935 CG ASP A 63 3.159 -9.407 5.521 1.00 0.00 C ATOM 936 OD1 ASP A 63 2.512 -9.994 6.416 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.862 -8.402 5.748 1.00 0.00 O ATOM 0 H ASP A 63 2.580 -11.058 1.896 1.00 0.00 H new ATOM 0 HA ASP A 63 1.243 -10.910 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.765 -10.854 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.545 -9.239 3.421 1.00 0.00 H new ATOM 942 N VAL A 64 0.702 -8.720 2.143 1.00 0.00 N ATOM 943 CA VAL A 64 -0.110 -7.557 1.810 1.00 0.00 C ATOM 944 C VAL A 64 -1.564 -7.827 2.174 1.00 0.00 C ATOM 945 O VAL A 64 -2.252 -6.959 2.698 1.00 0.00 O ATOM 946 CB VAL A 64 -0.013 -7.158 0.315 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.810 -5.888 0.049 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.443 -6.963 -0.098 1.00 0.00 C ATOM 0 H VAL A 64 1.105 -9.205 1.341 1.00 0.00 H new ATOM 0 HA VAL A 64 0.280 -6.720 2.389 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.436 -7.967 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.731 -5.623 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.857 -6.055 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.414 -5.076 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.488 -6.683 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.890 -6.174 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.992 -7.892 0.055 1.00 0.00 H new ATOM 958 N LYS A 65 -2.020 -9.054 1.938 1.00 0.00 N ATOM 959 CA LYS A 65 -3.391 -9.419 2.278 1.00 0.00 C ATOM 960 C LYS A 65 -3.490 -9.826 3.742 1.00 0.00 C ATOM 961 O LYS A 65 -4.573 -10.134 4.246 1.00 0.00 O ATOM 962 CB LYS A 65 -3.925 -10.524 1.347 1.00 0.00 C ATOM 963 CG LYS A 65 -3.124 -11.825 1.342 1.00 0.00 C ATOM 964 CD LYS A 65 -3.330 -12.653 2.609 1.00 0.00 C ATOM 965 CE LYS A 65 -4.711 -13.304 2.675 1.00 0.00 C ATOM 966 NZ LYS A 65 -5.806 -12.323 2.931 1.00 0.00 N ATOM 0 H LYS A 65 -1.469 -9.803 1.519 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.021 -8.542 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.952 -10.751 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.957 -10.134 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.411 -12.419 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.064 -11.593 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.565 -13.428 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.193 -12.014 3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.907 -13.823 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.714 -14.058 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.545 -12.771 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.423 -11.499 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.214 -12.015 2.026 1.00 0.00 H new ATOM 980 N ASN A 66 -2.346 -9.848 4.402 1.00 0.00 N ATOM 981 CA ASN A 66 -2.275 -10.136 5.824 1.00 0.00 C ATOM 982 C ASN A 66 -2.586 -8.869 6.608 1.00 0.00 C ATOM 983 O ASN A 66 -3.231 -8.908 7.655 1.00 0.00 O ATOM 984 CB ASN A 66 -0.879 -10.665 6.172 1.00 0.00 C ATOM 985 CG ASN A 66 -0.666 -10.905 7.655 1.00 0.00 C ATOM 986 OD1 ASN A 66 -1.592 -11.249 8.391 1.00 0.00 O ATOM 987 ND2 ASN A 66 0.568 -10.724 8.102 1.00 0.00 N ATOM 0 H ASN A 66 -1.441 -9.667 3.968 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.007 -10.899 6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.710 -11.598 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.133 -9.954 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.779 -10.870 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.307 -10.439 7.459 1.00 0.00 H new ATOM 994 N LEU A 67 -2.136 -7.745 6.075 1.00 0.00 N ATOM 995 CA LEU A 67 -2.396 -6.447 6.677 1.00 0.00 C ATOM 996 C LEU A 67 -3.757 -5.921 6.244 1.00 0.00 C ATOM 997 O LEU A 67 -4.075 -5.863 5.058 1.00 0.00 O ATOM 998 CB LEU A 67 -1.271 -5.467 6.319 1.00 0.00 C ATOM 999 CG LEU A 67 -0.921 -5.381 4.831 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.548 -4.152 4.183 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.587 -5.372 4.639 1.00 0.00 C ATOM 0 H LEU A 67 -1.584 -7.706 5.218 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.417 -6.554 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.554 -4.473 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.375 -5.753 6.869 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.332 -6.263 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.280 -4.121 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.632 -4.202 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.181 -3.253 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.818 -5.311 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.014 -4.511 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.012 -6.288 5.050 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.572 -5.563 7.225 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.935 -5.130 6.965 1.00 0.00 C ATOM 1015 C LYS A 68 -6.034 -3.619 6.814 1.00 0.00 C ATOM 1016 O LYS A 68 -7.105 -3.100 6.537 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.875 -5.616 8.074 1.00 0.00 C ATOM 1018 CG LYS A 68 -7.507 -6.973 7.792 1.00 0.00 C ATOM 1019 CD LYS A 68 -6.464 -8.033 7.488 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.106 -9.358 7.114 1.00 0.00 C ATOM 1021 NZ LYS A 68 -7.825 -9.973 8.260 1.00 0.00 N ATOM 0 H LYS A 68 -4.311 -5.564 8.211 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.241 -5.576 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.319 -5.672 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.666 -4.880 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.099 -7.283 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.192 -6.886 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.827 -7.694 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.821 -8.172 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.803 -9.203 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.338 -10.045 6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.161 -10.920 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.180 -10.052 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.638 -9.378 8.519 1.00 0.00 H new ATOM 1035 N THR A 69 -4.923 -2.919 6.986 1.00 0.00 N ATOM 1036 CA THR A 69 -4.894 -1.475 6.802 1.00 0.00 C ATOM 1037 C THR A 69 -3.858 -1.116 5.749 1.00 0.00 C ATOM 1038 O THR A 69 -2.844 -1.797 5.627 1.00 0.00 O ATOM 1039 CB THR A 69 -4.550 -0.738 8.115 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.261 -1.149 8.579 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.584 -1.023 9.189 1.00 0.00 C ATOM 0 H THR A 69 -4.028 -3.328 7.253 1.00 0.00 H new ATOM 0 HA THR A 69 -5.888 -1.162 6.483 1.00 0.00 H new ATOM 0 HB THR A 69 -4.547 0.333 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.361 -1.903 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.316 -0.491 10.102 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.564 -0.689 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.615 -2.094 9.389 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.098 -0.052 4.991 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.131 0.375 3.989 1.00 0.00 C ATOM 1051 C VAL A 70 -1.860 0.861 4.670 1.00 0.00 C ATOM 1052 O VAL A 70 -0.754 0.653 4.173 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.707 1.470 3.053 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.562 2.450 3.824 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.600 2.211 2.310 1.00 0.00 C ATOM 0 H VAL A 70 -4.939 0.522 5.049 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.896 -0.486 3.363 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.332 0.966 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.953 3.206 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.392 1.920 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.959 2.932 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.041 2.970 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.935 2.688 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.032 1.505 1.705 1.00 0.00 H new ATOM 1065 N GLY A 71 -2.029 1.456 5.842 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.905 1.987 6.576 1.00 0.00 C ATOM 1067 C GLY A 71 0.076 0.920 7.016 1.00 0.00 C ATOM 1068 O GLY A 71 1.286 1.148 7.010 1.00 0.00 O ATOM 0 H GLY A 71 -2.933 1.580 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.385 2.716 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.271 2.520 7.454 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.441 -0.244 7.390 1.00 0.00 N ATOM 1073 CA ASP A 72 0.403 -1.344 7.838 1.00 0.00 C ATOM 1074 C ASP A 72 1.356 -1.748 6.717 1.00 0.00 C ATOM 1075 O ASP A 72 2.561 -1.889 6.936 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.453 -2.537 8.263 1.00 0.00 C ATOM 1077 CG ASP A 72 0.150 -3.305 9.423 1.00 0.00 C ATOM 1078 OD1 ASP A 72 1.278 -3.816 9.288 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.502 -3.382 10.489 1.00 0.00 O ATOM 0 H ASP A 72 -1.440 -0.450 7.392 1.00 0.00 H new ATOM 0 HA ASP A 72 0.984 -1.016 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.446 -2.185 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.580 -3.209 7.414 1.00 0.00 H new ATOM 1084 N ALA A 73 0.807 -1.901 5.510 1.00 0.00 N ATOM 1085 CA ALA A 73 1.616 -2.164 4.320 1.00 0.00 C ATOM 1086 C ALA A 73 2.650 -1.092 4.143 1.00 0.00 C ATOM 1087 O ALA A 73 3.839 -1.364 4.020 1.00 0.00 O ATOM 1088 CB ALA A 73 0.773 -2.164 3.066 1.00 0.00 C ATOM 0 H ALA A 73 -0.196 -1.847 5.332 1.00 0.00 H new ATOM 0 HA ALA A 73 2.076 -3.141 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.407 -2.363 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.009 -2.938 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.294 -1.192 2.949 1.00 0.00 H new ATOM 1094 N THR A 74 2.159 0.132 4.107 1.00 0.00 N ATOM 1095 CA THR A 74 2.984 1.281 3.848 1.00 0.00 C ATOM 1096 C THR A 74 4.166 1.321 4.810 1.00 0.00 C ATOM 1097 O THR A 74 5.309 1.405 4.381 1.00 0.00 O ATOM 1098 CB THR A 74 2.160 2.573 3.960 1.00 0.00 C ATOM 1099 OG1 THR A 74 0.917 2.421 3.266 1.00 0.00 O ATOM 1100 CG2 THR A 74 2.912 3.724 3.347 1.00 0.00 C ATOM 0 H THR A 74 1.174 0.351 4.258 1.00 0.00 H new ATOM 0 HA THR A 74 3.369 1.203 2.831 1.00 0.00 H new ATOM 0 HB THR A 74 1.977 2.773 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.265 1.985 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.318 4.634 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.859 3.859 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.104 3.514 2.295 1.00 0.00 H new ATOM 1108 N LYS A 75 3.886 1.190 6.103 1.00 0.00 N ATOM 1109 CA LYS A 75 4.925 1.247 7.124 1.00 0.00 C ATOM 1110 C LYS A 75 5.876 0.055 6.997 1.00 0.00 C ATOM 1111 O LYS A 75 7.080 0.182 7.225 1.00 0.00 O ATOM 1112 CB LYS A 75 4.294 1.265 8.514 1.00 0.00 C ATOM 1113 CG LYS A 75 5.133 1.979 9.557 1.00 0.00 C ATOM 1114 CD LYS A 75 5.122 3.486 9.346 1.00 0.00 C ATOM 1115 CE LYS A 75 5.777 4.216 10.505 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.197 3.808 11.812 1.00 0.00 N ATOM 0 H LYS A 75 2.945 1.043 6.469 1.00 0.00 H new ATOM 0 HA LYS A 75 5.498 2.163 6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.318 1.747 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.123 0.239 8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.753 1.747 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.158 1.612 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.644 3.728 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.094 3.831 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.848 4.014 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.655 5.291 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.434 4.518 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.163 3.734 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.588 2.886 12.093 1.00 0.00 H new ATOM 1130 N TYR A 76 5.326 -1.098 6.625 1.00 0.00 N ATOM 1131 CA TYR A 76 6.125 -2.298 6.388 1.00 0.00 C ATOM 1132 C TYR A 76 7.050 -2.067 5.198 1.00 0.00 C ATOM 1133 O TYR A 76 8.229 -2.436 5.222 1.00 0.00 O ATOM 1134 CB TYR A 76 5.197 -3.490 6.134 1.00 0.00 C ATOM 1135 CG TYR A 76 5.898 -4.824 6.019 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.318 -5.507 7.151 1.00 0.00 C ATOM 1137 CD2 TYR A 76 6.115 -5.408 4.780 1.00 0.00 C ATOM 1138 CE1 TYR A 76 6.942 -6.736 7.051 1.00 0.00 C ATOM 1139 CE2 TYR A 76 6.741 -6.635 4.670 1.00 0.00 C ATOM 1140 CZ TYR A 76 7.150 -7.296 5.808 1.00 0.00 C ATOM 1141 OH TYR A 76 7.767 -8.522 5.706 1.00 0.00 O ATOM 0 H TYR A 76 4.325 -1.227 6.480 1.00 0.00 H new ATOM 0 HA TYR A 76 6.735 -2.516 7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.470 -3.546 6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.638 -3.309 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.155 -5.071 8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.790 -4.896 3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.265 -7.255 7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.909 -7.074 3.697 1.00 0.00 H new ATOM 0 HH TYR A 76 7.569 -9.055 6.504 1.00 0.00 H new ATOM 1151 N ILE A 77 6.501 -1.441 4.166 1.00 0.00 N ATOM 1152 CA ILE A 77 7.275 -1.011 3.014 1.00 0.00 C ATOM 1153 C ILE A 77 8.359 -0.031 3.447 1.00 0.00 C ATOM 1154 O ILE A 77 9.500 -0.125 3.017 1.00 0.00 O ATOM 1155 CB ILE A 77 6.367 -0.350 1.946 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.507 -1.410 1.257 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.194 0.412 0.919 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.454 -0.835 0.331 1.00 0.00 C ATOM 0 H ILE A 77 5.507 -1.218 4.106 1.00 0.00 H new ATOM 0 HA ILE A 77 7.739 -1.893 2.572 1.00 0.00 H new ATOM 0 HB ILE A 77 5.714 0.364 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.155 -2.076 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.016 -2.017 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.531 0.865 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.767 1.192 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.876 -0.275 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.884 -1.647 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.782 -0.192 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.938 -0.252 -0.452 1.00 0.00 H new ATOM 1170 N LEU A 78 7.987 0.881 4.334 1.00 0.00 N ATOM 1171 CA LEU A 78 8.882 1.930 4.810 1.00 0.00 C ATOM 1172 C LEU A 78 10.079 1.365 5.576 1.00 0.00 C ATOM 1173 O LEU A 78 11.116 2.017 5.695 1.00 0.00 O ATOM 1174 CB LEU A 78 8.098 2.902 5.697 1.00 0.00 C ATOM 1175 CG LEU A 78 6.919 3.596 5.007 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.226 4.559 5.958 1.00 0.00 C ATOM 1177 CD2 LEU A 78 7.407 4.325 3.772 1.00 0.00 C ATOM 0 H LEU A 78 7.054 0.916 4.746 1.00 0.00 H new ATOM 0 HA LEU A 78 9.278 2.454 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.724 2.358 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.782 3.664 6.069 1.00 0.00 H new ATOM 0 HG LEU A 78 6.192 2.840 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.393 5.040 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.853 4.011 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.935 5.318 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.566 4.817 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.148 5.071 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.859 3.611 3.083 1.00 0.00 H new ATOM 1189 N ASP A 79 9.932 0.162 6.107 1.00 0.00 N ATOM 1190 CA ASP A 79 11.019 -0.478 6.833 1.00 0.00 C ATOM 1191 C ASP A 79 11.923 -1.266 5.889 1.00 0.00 C ATOM 1192 O ASP A 79 13.149 -1.232 6.009 1.00 0.00 O ATOM 1193 CB ASP A 79 10.465 -1.404 7.915 1.00 0.00 C ATOM 1194 CG ASP A 79 11.563 -2.052 8.738 1.00 0.00 C ATOM 1195 OD1 ASP A 79 12.045 -3.134 8.347 1.00 0.00 O ATOM 1196 OD2 ASP A 79 11.941 -1.486 9.785 1.00 0.00 O ATOM 0 H ASP A 79 9.076 -0.389 6.050 1.00 0.00 H new ATOM 0 HA ASP A 79 11.613 0.306 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.808 -0.837 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.857 -2.180 7.449 1.00 0.00 H new ATOM 1201 N HIS A 80 11.312 -1.954 4.932 1.00 0.00 N ATOM 1202 CA HIS A 80 12.040 -2.896 4.083 1.00 0.00 C ATOM 1203 C HIS A 80 12.288 -2.328 2.689 1.00 0.00 C ATOM 1204 O HIS A 80 12.540 -3.076 1.743 1.00 0.00 O ATOM 1205 CB HIS A 80 11.269 -4.215 3.974 1.00 0.00 C ATOM 1206 CG HIS A 80 11.137 -4.949 5.274 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.903 -6.042 5.605 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.320 -4.734 6.331 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.567 -6.466 6.808 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.607 -5.688 7.277 1.00 0.00 N ATOM 0 H HIS A 80 10.316 -1.879 4.723 1.00 0.00 H new ATOM 0 HA HIS A 80 13.008 -3.075 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.273 -4.011 3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.771 -4.860 3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.577 -3.954 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.004 -7.308 7.324 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.156 -5.780 8.187 1.00 0.00 H new ATOM 1219 N GLN A 81 12.218 -1.013 2.561 1.00 0.00 N ATOM 1220 CA GLN A 81 12.454 -0.369 1.278 1.00 0.00 C ATOM 1221 C GLN A 81 13.939 -0.110 1.074 1.00 0.00 C ATOM 1222 O GLN A 81 14.645 0.263 2.011 1.00 0.00 O ATOM 1223 CB GLN A 81 11.653 0.929 1.168 1.00 0.00 C ATOM 1224 CG GLN A 81 11.872 1.898 2.323 1.00 0.00 C ATOM 1225 CD GLN A 81 10.934 3.087 2.266 1.00 0.00 C ATOM 1226 OE1 GLN A 81 9.762 2.893 1.683 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 11.255 4.171 2.741 1.00 0.00 N flip ATOM 0 H GLN A 81 12.001 -0.373 3.325 1.00 0.00 H new ATOM 0 HA GLN A 81 12.115 -1.041 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.917 1.428 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.592 0.684 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.730 1.372 3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.903 2.251 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.167 4.284 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.610 4.960 2.694 1.00 0.00 H new