USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 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 26 LYS NZ :NH3+ 155:sc= 0.201 (180deg=-0.684) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0445 (180deg=-0.0445) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.14) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 77:sc= 1 USER MOD Single : A 8 SER OG : rot 72:sc= 0.797 USER MOD Single : A 12 SER OG : rot 74:sc= 0.884 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 149:sc= 0.32 USER MOD Single : A 47 THR OG1 : rot 177:sc= 1.02 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 0.416 (180deg=0.317) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 151:sc= 1.62 USER MOD Single : A 57 ASN : amide:sc= 0.508 K(o=0.51,f=-0.0073) USER MOD Single : A 58 GLN : amide:sc= 0.883 K(o=0.88,f=-0.027) USER MOD Single : A 59 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.49) USER MOD Single : A 61 SER OG : rot 180:sc=-0.000171 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 73 ASN : amide:sc= 0.0427 K(o=0.043,f=-1.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 81 HIS : no HE2:sc= 0.316 K(o=0.32,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.360 17.834 -9.930 1.00 1.00 N ATOM 2 CA GLY A 1 19.057 16.450 -10.303 1.00 1.00 C ATOM 3 C GLY A 1 18.232 15.670 -9.269 1.00 1.00 C ATOM 4 O GLY A 1 17.784 14.559 -9.556 1.00 1.00 O ATOM 0 H1 GLY A 1 19.918 18.283 -10.684 1.00 1.00 H new ATOM 0 H2 GLY A 1 18.473 18.360 -9.797 1.00 1.00 H new ATOM 0 H3 GLY A 1 19.904 17.843 -9.044 1.00 1.00 H new ATOM 0 HA2 GLY A 1 18.517 16.454 -11.250 1.00 1.00 H new ATOM 0 HA3 GLY A 1 19.995 15.921 -10.473 1.00 1.00 H new ATOM 8 N SER A 2 18.002 16.240 -8.081 1.00 1.00 N ATOM 9 CA SER A 2 17.299 15.598 -6.954 1.00 1.00 C ATOM 10 C SER A 2 15.899 15.080 -7.303 1.00 1.00 C ATOM 11 O SER A 2 15.473 14.056 -6.772 1.00 1.00 O ATOM 12 CB SER A 2 17.191 16.566 -5.769 1.00 1.00 C ATOM 13 OG SER A 2 18.477 17.044 -5.398 1.00 1.00 O ATOM 0 H SER A 2 18.307 17.189 -7.866 1.00 1.00 H new ATOM 0 HA SER A 2 17.904 14.730 -6.693 1.00 1.00 H new ATOM 0 HB2 SER A 2 16.547 17.405 -6.034 1.00 1.00 H new ATOM 0 HB3 SER A 2 16.725 16.063 -4.922 1.00 1.00 H new ATOM 0 HG SER A 2 18.391 17.662 -4.642 1.00 1.00 H new ATOM 19 N HIS A 3 15.204 15.724 -8.245 1.00 1.00 N ATOM 20 CA HIS A 3 13.910 15.270 -8.770 1.00 1.00 C ATOM 21 C HIS A 3 13.952 13.858 -9.389 1.00 1.00 C ATOM 22 O HIS A 3 12.979 13.111 -9.262 1.00 1.00 O ATOM 23 CB HIS A 3 13.371 16.312 -9.765 1.00 1.00 C ATOM 24 CG HIS A 3 14.322 16.665 -10.886 1.00 1.00 C ATOM 25 ND1 HIS A 3 14.458 16.006 -12.088 1.00 1.00 N ATOM 26 CD2 HIS A 3 15.208 17.711 -10.899 1.00 1.00 C ATOM 27 CE1 HIS A 3 15.407 16.633 -12.804 1.00 1.00 C ATOM 28 NE2 HIS A 3 15.899 17.680 -12.117 1.00 1.00 N ATOM 0 H HIS A 3 15.529 16.591 -8.673 1.00 1.00 H new ATOM 0 HA HIS A 3 13.227 15.183 -7.925 1.00 1.00 H new ATOM 0 HB2 HIS A 3 12.444 15.936 -10.198 1.00 1.00 H new ATOM 0 HB3 HIS A 3 13.121 17.221 -9.218 1.00 1.00 H new ATOM 0 HD2 HIS A 3 15.349 18.433 -10.108 1.00 1.00 H new ATOM 0 HE1 HIS A 3 15.729 16.338 -13.792 1.00 1.00 H new ATOM 0 HE2 HIS A 3 16.630 18.323 -12.422 1.00 1.00 H new ATOM 36 N MET A 4 15.071 13.446 -10.001 1.00 1.00 N ATOM 37 CA MET A 4 15.254 12.073 -10.501 1.00 1.00 C ATOM 38 C MET A 4 15.456 11.062 -9.365 1.00 1.00 C ATOM 39 O MET A 4 14.957 9.938 -9.440 1.00 1.00 O ATOM 40 CB MET A 4 16.453 11.994 -11.463 1.00 1.00 C ATOM 41 CG MET A 4 16.295 12.844 -12.730 1.00 1.00 C ATOM 42 SD MET A 4 14.839 12.447 -13.742 1.00 1.00 S ATOM 43 CE MET A 4 15.220 13.405 -15.234 1.00 1.00 C ATOM 0 H MET A 4 15.875 14.053 -10.164 1.00 1.00 H new ATOM 0 HA MET A 4 14.338 11.814 -11.031 1.00 1.00 H new ATOM 0 HB2 MET A 4 17.351 12.313 -10.934 1.00 1.00 H new ATOM 0 HB3 MET A 4 16.605 10.954 -11.752 1.00 1.00 H new ATOM 0 HG2 MET A 4 16.243 13.894 -12.441 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.188 12.726 -13.343 1.00 1.00 H new ATOM 0 HE1 MET A 4 14.422 13.273 -15.965 1.00 1.00 H new ATOM 0 HE2 MET A 4 15.305 14.461 -14.977 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.162 13.058 -15.659 1.00 1.00 H new ATOM 53 N LEU A 5 16.145 11.459 -8.290 1.00 1.00 N ATOM 54 CA LEU A 5 16.348 10.628 -7.095 1.00 1.00 C ATOM 55 C LEU A 5 15.036 10.446 -6.314 1.00 1.00 C ATOM 56 O LEU A 5 14.710 9.338 -5.888 1.00 1.00 O ATOM 57 CB LEU A 5 17.442 11.249 -6.205 1.00 1.00 C ATOM 58 CG LEU A 5 18.806 11.441 -6.898 1.00 1.00 C ATOM 59 CD1 LEU A 5 19.779 12.143 -5.951 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.435 10.116 -7.336 1.00 1.00 C ATOM 0 H LEU A 5 16.583 12.378 -8.223 1.00 1.00 H new ATOM 0 HA LEU A 5 16.676 9.638 -7.412 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.093 12.217 -5.846 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.581 10.616 -5.329 1.00 1.00 H new ATOM 0 HG LEU A 5 18.621 12.044 -7.787 1.00 1.00 H new ATOM 0 HD11 LEU A 5 20.740 12.275 -6.449 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.377 13.118 -5.674 1.00 1.00 H new ATOM 0 HD13 LEU A 5 19.914 11.538 -5.054 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.393 10.310 -7.818 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.589 9.481 -6.464 1.00 1.00 H new ATOM 0 HD23 LEU A 5 18.771 9.613 -8.039 1.00 1.00 H new ATOM 72 N GLU A 6 14.239 11.510 -6.189 1.00 1.00 N ATOM 73 CA GLU A 6 12.885 11.473 -5.619 1.00 1.00 C ATOM 74 C GLU A 6 11.924 10.622 -6.464 1.00 1.00 C ATOM 75 O GLU A 6 11.158 9.829 -5.913 1.00 1.00 O ATOM 76 CB GLU A 6 12.345 12.905 -5.479 1.00 1.00 C ATOM 77 CG GLU A 6 13.062 13.697 -4.375 1.00 1.00 C ATOM 78 CD GLU A 6 12.628 15.168 -4.380 1.00 1.00 C ATOM 79 OE1 GLU A 6 11.625 15.488 -3.697 1.00 1.00 O ATOM 80 OE2 GLU A 6 13.294 15.979 -5.069 1.00 1.00 O ATOM 0 H GLU A 6 14.521 12.444 -6.487 1.00 1.00 H new ATOM 0 HA GLU A 6 12.949 11.005 -4.637 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.458 13.427 -6.429 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.278 12.868 -5.261 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.843 13.253 -3.404 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.141 13.632 -4.519 1.00 1.00 H new ATOM 87 N SER A 7 12.002 10.713 -7.798 1.00 1.00 N ATOM 88 CA SER A 7 11.253 9.832 -8.709 1.00 1.00 C ATOM 89 C SER A 7 11.669 8.364 -8.553 1.00 1.00 C ATOM 90 O SER A 7 10.811 7.484 -8.502 1.00 1.00 O ATOM 91 CB SER A 7 11.434 10.253 -10.173 1.00 1.00 C ATOM 92 OG SER A 7 10.928 11.560 -10.393 1.00 1.00 O ATOM 0 H SER A 7 12.585 11.399 -8.278 1.00 1.00 H new ATOM 0 HA SER A 7 10.202 9.931 -8.436 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.491 10.219 -10.437 1.00 1.00 H new ATOM 0 HB3 SER A 7 10.920 9.546 -10.824 1.00 1.00 H new ATOM 0 HG SER A 7 11.559 12.219 -10.037 1.00 1.00 H new ATOM 98 N SER A 8 12.969 8.088 -8.402 1.00 1.00 N ATOM 99 CA SER A 8 13.490 6.733 -8.164 1.00 1.00 C ATOM 100 C SER A 8 13.022 6.157 -6.821 1.00 1.00 C ATOM 101 O SER A 8 12.662 4.981 -6.750 1.00 1.00 O ATOM 102 CB SER A 8 15.023 6.714 -8.220 1.00 1.00 C ATOM 103 OG SER A 8 15.495 7.116 -9.496 1.00 1.00 O ATOM 0 H SER A 8 13.696 8.802 -8.441 1.00 1.00 H new ATOM 0 HA SER A 8 13.090 6.106 -8.960 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.426 7.378 -7.455 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.385 5.711 -7.995 1.00 1.00 H new ATOM 0 HG SER A 8 15.349 8.078 -9.611 1.00 1.00 H new ATOM 109 N ALA A 9 12.964 6.976 -5.765 1.00 1.00 N ATOM 110 CA ALA A 9 12.407 6.589 -4.469 1.00 1.00 C ATOM 111 C ALA A 9 10.891 6.313 -4.539 1.00 1.00 C ATOM 112 O ALA A 9 10.416 5.326 -3.975 1.00 1.00 O ATOM 113 CB ALA A 9 12.732 7.690 -3.450 1.00 1.00 C ATOM 0 H ALA A 9 13.307 7.936 -5.789 1.00 1.00 H new ATOM 0 HA ALA A 9 12.863 5.650 -4.156 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.323 7.417 -2.477 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.813 7.805 -3.370 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.291 8.631 -3.778 1.00 1.00 H new ATOM 119 N GLU A 10 10.128 7.133 -5.267 1.00 1.00 N ATOM 120 CA GLU A 10 8.691 6.924 -5.495 1.00 1.00 C ATOM 121 C GLU A 10 8.407 5.648 -6.312 1.00 1.00 C ATOM 122 O GLU A 10 7.511 4.879 -5.971 1.00 1.00 O ATOM 123 CB GLU A 10 8.106 8.172 -6.177 1.00 1.00 C ATOM 124 CG GLU A 10 6.579 8.114 -6.316 1.00 1.00 C ATOM 125 CD GLU A 10 6.033 9.422 -6.902 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.003 9.540 -8.151 1.00 1.00 O ATOM 127 OE2 GLU A 10 5.644 10.310 -6.105 1.00 1.00 O ATOM 0 H GLU A 10 10.492 7.971 -5.721 1.00 1.00 H new ATOM 0 HA GLU A 10 8.205 6.776 -4.531 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.380 9.057 -5.602 1.00 1.00 H new ATOM 0 HB3 GLU A 10 8.552 8.283 -7.165 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.300 7.279 -6.958 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.128 7.931 -5.341 1.00 1.00 H new ATOM 134 N GLU A 11 9.201 5.371 -7.349 1.00 1.00 N ATOM 135 CA GLU A 11 9.125 4.120 -8.117 1.00 1.00 C ATOM 136 C GLU A 11 9.535 2.892 -7.286 1.00 1.00 C ATOM 137 O GLU A 11 8.934 1.824 -7.422 1.00 1.00 O ATOM 138 CB GLU A 11 9.995 4.225 -9.379 1.00 1.00 C ATOM 139 CG GLU A 11 9.369 5.145 -10.438 1.00 1.00 C ATOM 140 CD GLU A 11 10.326 5.357 -11.618 1.00 1.00 C ATOM 141 OE1 GLU A 11 10.385 4.461 -12.495 1.00 1.00 O ATOM 142 OE2 GLU A 11 11.001 6.415 -11.656 1.00 1.00 O ATOM 0 H GLU A 11 9.921 6.011 -7.684 1.00 1.00 H new ATOM 0 HA GLU A 11 8.082 3.977 -8.401 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.981 4.603 -9.109 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.140 3.231 -9.803 1.00 1.00 H new ATOM 0 HG2 GLU A 11 8.436 4.711 -10.796 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.122 6.107 -9.989 1.00 1.00 H new ATOM 149 N SER A 12 10.501 3.040 -6.373 1.00 1.00 N ATOM 150 CA SER A 12 10.862 1.985 -5.414 1.00 1.00 C ATOM 151 C SER A 12 9.729 1.709 -4.421 1.00 1.00 C ATOM 152 O SER A 12 9.442 0.551 -4.122 1.00 1.00 O ATOM 153 CB SER A 12 12.143 2.337 -4.647 1.00 1.00 C ATOM 154 OG SER A 12 13.245 2.477 -5.529 1.00 1.00 O ATOM 0 H SER A 12 11.055 3.891 -6.276 1.00 1.00 H new ATOM 0 HA SER A 12 11.039 1.082 -5.998 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.996 3.265 -4.094 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.357 1.559 -3.914 1.00 1.00 H new ATOM 0 HG SER A 12 13.163 3.319 -6.024 1.00 1.00 H new ATOM 160 N LEU A 13 9.024 2.746 -3.956 1.00 1.00 N ATOM 161 CA LEU A 13 7.831 2.595 -3.115 1.00 1.00 C ATOM 162 C LEU A 13 6.701 1.906 -3.893 1.00 1.00 C ATOM 163 O LEU A 13 6.085 0.979 -3.373 1.00 1.00 O ATOM 164 CB LEU A 13 7.440 3.982 -2.568 1.00 1.00 C ATOM 165 CG LEU A 13 6.322 4.007 -1.502 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.335 5.370 -0.807 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.911 3.813 -2.072 1.00 1.00 C ATOM 0 H LEU A 13 9.265 3.717 -4.153 1.00 1.00 H new ATOM 0 HA LEU A 13 8.038 1.945 -2.265 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.330 4.445 -2.141 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.127 4.605 -3.406 1.00 1.00 H new ATOM 0 HG LEU A 13 6.530 3.176 -0.828 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.550 5.401 -0.052 1.00 1.00 H new ATOM 0 HD12 LEU A 13 7.303 5.526 -0.331 1.00 1.00 H new ATOM 0 HD13 LEU A 13 6.161 6.155 -1.543 1.00 1.00 H new ATOM 0 HD21 LEU A 13 4.184 3.843 -1.261 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.694 4.609 -2.784 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.852 2.849 -2.577 1.00 1.00 H new ATOM 179 N ALA A 14 6.470 2.280 -5.155 1.00 1.00 N ATOM 180 CA ALA A 14 5.500 1.608 -6.023 1.00 1.00 C ATOM 181 C ALA A 14 5.817 0.109 -6.207 1.00 1.00 C ATOM 182 O ALA A 14 4.905 -0.717 -6.221 1.00 1.00 O ATOM 183 CB ALA A 14 5.422 2.352 -7.361 1.00 1.00 C ATOM 0 H ALA A 14 6.952 3.059 -5.604 1.00 1.00 H new ATOM 0 HA ALA A 14 4.521 1.641 -5.544 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.701 1.856 -8.011 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.106 3.381 -7.187 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.403 2.349 -7.837 1.00 1.00 H new ATOM 189 N TYR A 15 7.100 -0.261 -6.285 1.00 1.00 N ATOM 190 CA TYR A 15 7.541 -1.663 -6.307 1.00 1.00 C ATOM 191 C TYR A 15 7.286 -2.390 -4.970 1.00 1.00 C ATOM 192 O TYR A 15 6.782 -3.515 -4.969 1.00 1.00 O ATOM 193 CB TYR A 15 9.020 -1.730 -6.706 1.00 1.00 C ATOM 194 CG TYR A 15 9.528 -3.150 -6.863 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.146 -3.905 -7.989 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.342 -3.730 -5.869 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.572 -5.239 -8.121 1.00 1.00 C ATOM 198 CE2 TYR A 15 10.775 -5.064 -6.001 1.00 1.00 C ATOM 199 CZ TYR A 15 10.388 -5.824 -7.128 1.00 1.00 C ATOM 200 OH TYR A 15 10.798 -7.116 -7.264 1.00 1.00 O ATOM 0 H TYR A 15 7.868 0.408 -6.335 1.00 1.00 H new ATOM 0 HA TYR A 15 6.943 -2.189 -7.051 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.162 -1.193 -7.644 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.618 -1.218 -5.952 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.525 -3.459 -8.752 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.634 -3.151 -5.005 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.274 -5.817 -8.983 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.403 -5.506 -5.241 1.00 1.00 H new ATOM 0 HH TYR A 15 11.353 -7.366 -6.496 1.00 1.00 H new ATOM 210 N ARG A 16 7.558 -1.742 -3.824 1.00 1.00 N ATOM 211 CA ARG A 16 7.206 -2.263 -2.484 1.00 1.00 C ATOM 212 C ARG A 16 5.696 -2.449 -2.310 1.00 1.00 C ATOM 213 O ARG A 16 5.262 -3.435 -1.720 1.00 1.00 O ATOM 214 CB ARG A 16 7.746 -1.342 -1.375 1.00 1.00 C ATOM 215 CG ARG A 16 9.281 -1.335 -1.286 1.00 1.00 C ATOM 216 CD ARG A 16 9.799 -0.330 -0.250 1.00 1.00 C ATOM 217 NE ARG A 16 9.399 -0.686 1.125 1.00 1.00 N ATOM 218 CZ ARG A 16 9.593 0.049 2.209 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.186 1.214 2.176 1.00 1.00 N ATOM 220 NH2 ARG A 16 9.188 -0.380 3.373 1.00 1.00 N ATOM 0 H ARG A 16 8.030 -0.838 -3.797 1.00 1.00 H new ATOM 0 HA ARG A 16 7.676 -3.243 -2.400 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.394 -0.326 -1.553 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.335 -1.659 -0.417 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.632 -2.334 -1.027 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.698 -1.094 -2.264 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.886 -0.280 -0.308 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.421 0.664 -0.490 1.00 1.00 H new ATOM 0 HE ARG A 16 8.929 -1.582 1.252 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.521 1.591 1.289 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.314 1.746 3.037 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.721 -1.283 3.449 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.339 0.188 4.207 1.00 1.00 H new ATOM 234 N GLU A 17 4.891 -1.535 -2.847 1.00 1.00 N ATOM 235 CA GLU A 17 3.432 -1.658 -2.892 1.00 1.00 C ATOM 236 C GLU A 17 2.975 -2.799 -3.813 1.00 1.00 C ATOM 237 O GLU A 17 2.106 -3.568 -3.426 1.00 1.00 O ATOM 238 CB GLU A 17 2.819 -0.308 -3.292 1.00 1.00 C ATOM 239 CG GLU A 17 1.297 -0.282 -3.102 1.00 1.00 C ATOM 240 CD GLU A 17 0.734 1.111 -3.391 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.713 1.513 -4.578 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.321 1.785 -2.422 1.00 1.00 O ATOM 0 H GLU A 17 5.237 -0.674 -3.270 1.00 1.00 H new ATOM 0 HA GLU A 17 3.073 -1.922 -1.897 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.271 0.485 -2.696 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.057 -0.098 -4.335 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.831 -1.011 -3.765 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.049 -0.574 -2.082 1.00 1.00 H new ATOM 249 N ASP A 18 3.586 -2.982 -4.985 1.00 1.00 N ATOM 250 CA ASP A 18 3.279 -4.104 -5.880 1.00 1.00 C ATOM 251 C ASP A 18 3.612 -5.481 -5.271 1.00 1.00 C ATOM 252 O ASP A 18 2.960 -6.467 -5.606 1.00 1.00 O ATOM 253 CB ASP A 18 3.988 -3.906 -7.225 1.00 1.00 C ATOM 254 CG ASP A 18 3.484 -4.906 -8.268 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.267 -4.857 -8.568 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.308 -5.704 -8.772 1.00 1.00 O ATOM 0 H ASP A 18 4.309 -2.357 -5.342 1.00 1.00 H new ATOM 0 HA ASP A 18 2.200 -4.105 -6.035 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.821 -2.890 -7.581 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.063 -4.025 -7.093 1.00 1.00 H new ATOM 261 N ASP A 19 4.562 -5.571 -4.332 1.00 1.00 N ATOM 262 CA ASP A 19 4.794 -6.794 -3.548 1.00 1.00 C ATOM 263 C ASP A 19 3.567 -7.201 -2.702 1.00 1.00 C ATOM 264 O ASP A 19 3.330 -8.393 -2.483 1.00 1.00 O ATOM 265 CB ASP A 19 6.043 -6.643 -2.669 1.00 1.00 C ATOM 266 CG ASP A 19 6.424 -7.968 -1.999 1.00 1.00 C ATOM 267 OD1 ASP A 19 6.998 -8.835 -2.700 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.144 -8.115 -0.784 1.00 1.00 O ATOM 0 H ASP A 19 5.190 -4.803 -4.094 1.00 1.00 H new ATOM 0 HA ASP A 19 4.961 -7.602 -4.260 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.876 -6.289 -3.277 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.862 -5.887 -1.905 1.00 1.00 H new ATOM 273 N LEU A 20 2.754 -6.232 -2.257 1.00 1.00 N ATOM 274 CA LEU A 20 1.499 -6.482 -1.533 1.00 1.00 C ATOM 275 C LEU A 20 0.449 -7.224 -2.388 1.00 1.00 C ATOM 276 O LEU A 20 -0.496 -7.786 -1.837 1.00 1.00 O ATOM 277 CB LEU A 20 0.912 -5.174 -0.964 1.00 1.00 C ATOM 278 CG LEU A 20 1.890 -4.255 -0.209 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.154 -3.005 0.278 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.562 -4.933 0.983 1.00 1.00 C ATOM 0 H LEU A 20 2.952 -5.240 -2.391 1.00 1.00 H new ATOM 0 HA LEU A 20 1.753 -7.141 -0.703 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.478 -4.608 -1.788 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.095 -5.431 -0.289 1.00 1.00 H new ATOM 0 HG LEU A 20 2.677 -3.994 -0.917 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.850 -2.358 0.812 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.743 -2.469 -0.577 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.344 -3.297 0.947 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.238 -4.229 1.469 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.802 -5.256 1.694 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.127 -5.799 0.638 1.00 1.00 H new ATOM 292 N ARG A 21 0.627 -7.296 -3.719 1.00 1.00 N ATOM 293 CA ARG A 21 -0.191 -8.127 -4.635 1.00 1.00 C ATOM 294 C ARG A 21 -0.082 -9.640 -4.354 1.00 1.00 C ATOM 295 O ARG A 21 -0.866 -10.428 -4.879 1.00 1.00 O ATOM 296 CB ARG A 21 0.179 -7.807 -6.098 1.00 1.00 C ATOM 297 CG ARG A 21 -0.970 -8.084 -7.081 1.00 1.00 C ATOM 298 CD ARG A 21 -0.501 -8.150 -8.538 1.00 1.00 C ATOM 299 NE ARG A 21 -0.057 -6.838 -9.044 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.315 -6.324 -10.234 1.00 1.00 C ATOM 301 NH1 ARG A 21 -1.013 -6.950 -11.145 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.128 -5.138 -10.535 1.00 1.00 N ATOM 0 H ARG A 21 1.356 -6.770 -4.202 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.235 -7.869 -4.455 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.470 -6.759 -6.173 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.047 -8.400 -6.386 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.450 -9.026 -6.816 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.724 -7.303 -6.982 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.318 -8.865 -8.622 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.314 -8.521 -9.162 1.00 1.00 H new ATOM 0 HE ARG A 21 0.506 -6.270 -8.412 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.387 -7.879 -10.952 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.184 -6.509 -12.049 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.672 -4.609 -9.854 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.069 -4.738 -11.452 1.00 1.00 H new ATOM 316 N GLY A 22 0.864 -10.061 -3.511 1.00 1.00 N ATOM 317 CA GLY A 22 0.979 -11.431 -2.998 1.00 1.00 C ATOM 318 C GLY A 22 0.455 -11.603 -1.566 1.00 1.00 C ATOM 319 O GLY A 22 0.812 -12.587 -0.912 1.00 1.00 O ATOM 0 H GLY A 22 1.592 -9.442 -3.156 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.431 -12.103 -3.658 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.025 -11.734 -3.031 1.00 1.00 H new ATOM 323 N ARG A 23 -0.351 -10.657 -1.052 1.00 1.00 N ATOM 324 CA ARG A 23 -0.764 -10.581 0.362 1.00 1.00 C ATOM 325 C ARG A 23 -2.273 -10.385 0.554 1.00 1.00 C ATOM 326 O ARG A 23 -3.000 -9.916 -0.325 1.00 1.00 O ATOM 327 CB ARG A 23 0.003 -9.460 1.083 1.00 1.00 C ATOM 328 CG ARG A 23 1.529 -9.584 0.962 1.00 1.00 C ATOM 329 CD ARG A 23 2.173 -8.604 1.940 1.00 1.00 C ATOM 330 NE ARG A 23 3.609 -8.420 1.670 1.00 1.00 N ATOM 331 CZ ARG A 23 4.481 -7.828 2.470 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.167 -7.390 3.662 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.712 -7.657 2.079 1.00 1.00 N ATOM 0 H ARG A 23 -0.743 -9.906 -1.621 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.518 -11.548 0.800 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.309 -8.498 0.676 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.271 -9.464 2.138 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.845 -10.603 1.184 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.847 -9.366 -0.057 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.666 -7.641 1.876 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.039 -8.968 2.959 1.00 1.00 H new ATOM 0 HE ARG A 23 3.964 -8.782 0.785 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.215 -7.499 4.011 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.875 -6.940 4.243 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.003 -7.979 1.156 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.384 -7.201 2.696 1.00 1.00 H new ATOM 347 N LEU A 24 -2.716 -10.739 1.757 1.00 1.00 N ATOM 348 CA LEU A 24 -4.097 -10.685 2.238 1.00 1.00 C ATOM 349 C LEU A 24 -4.306 -9.399 3.064 1.00 1.00 C ATOM 350 O LEU A 24 -3.383 -8.900 3.712 1.00 1.00 O ATOM 351 CB LEU A 24 -4.303 -11.960 3.088 1.00 1.00 C ATOM 352 CG LEU A 24 -5.757 -12.420 3.278 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.316 -13.057 2.002 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.808 -13.493 4.367 1.00 1.00 C ATOM 0 H LEU A 24 -2.079 -11.095 2.470 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.822 -10.655 1.425 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.744 -12.774 2.627 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.866 -11.790 4.072 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.346 -11.541 3.541 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.346 -13.370 2.173 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.288 -12.330 1.190 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.713 -13.924 1.734 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.838 -13.822 4.505 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.192 -14.342 4.070 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.430 -13.080 5.302 1.00 1.00 H new ATOM 366 N GLY A 25 -5.527 -8.877 3.057 1.00 1.00 N ATOM 367 CA GLY A 25 -5.926 -7.611 3.671 1.00 1.00 C ATOM 368 C GLY A 25 -7.325 -7.629 4.296 1.00 1.00 C ATOM 369 O GLY A 25 -7.993 -8.664 4.364 1.00 1.00 O ATOM 0 H GLY A 25 -6.308 -9.348 2.600 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.200 -7.349 4.441 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.888 -6.826 2.916 1.00 1.00 H new ATOM 373 N LYS A 26 -7.761 -6.455 4.756 1.00 1.00 N ATOM 374 CA LYS A 26 -8.950 -6.203 5.573 1.00 1.00 C ATOM 375 C LYS A 26 -9.576 -4.872 5.162 1.00 1.00 C ATOM 376 O LYS A 26 -8.930 -3.830 5.270 1.00 1.00 O ATOM 377 CB LYS A 26 -8.485 -6.190 7.039 1.00 1.00 C ATOM 378 CG LYS A 26 -9.568 -5.873 8.083 1.00 1.00 C ATOM 379 CD LYS A 26 -10.790 -6.801 8.058 1.00 1.00 C ATOM 380 CE LYS A 26 -10.391 -8.282 8.133 1.00 1.00 C ATOM 381 NZ LYS A 26 -11.569 -9.154 8.308 1.00 1.00 N ATOM 0 H LYS A 26 -7.256 -5.593 4.553 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.713 -6.970 5.436 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.056 -7.164 7.273 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.685 -5.457 7.140 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.118 -5.917 9.075 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.907 -4.848 7.932 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.445 -6.560 8.895 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.360 -6.625 7.146 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.861 -8.563 7.223 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.700 -8.432 8.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -11.355 -10.104 7.943 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -11.807 -9.217 9.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -12.376 -8.756 7.786 1.00 1.00 H new ATOM 395 N VAL A 27 -10.799 -4.913 4.638 1.00 1.00 N ATOM 396 CA VAL A 27 -11.541 -3.713 4.188 1.00 1.00 C ATOM 397 C VAL A 27 -12.058 -2.905 5.383 1.00 1.00 C ATOM 398 O VAL A 27 -12.623 -3.462 6.326 1.00 1.00 O ATOM 399 CB VAL A 27 -12.676 -4.090 3.205 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.560 -2.907 2.798 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.026 -4.638 1.934 1.00 1.00 C ATOM 0 H VAL A 27 -11.317 -5.782 4.508 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.848 -3.072 3.642 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.315 -4.813 3.713 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.332 -3.250 2.109 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.029 -2.481 3.685 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.949 -2.147 2.310 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.801 -4.914 1.219 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.383 -3.875 1.496 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.430 -5.517 2.180 1.00 1.00 H new ATOM 411 N ILE A 28 -11.881 -1.581 5.324 1.00 1.00 N ATOM 412 CA ILE A 28 -12.163 -0.618 6.414 1.00 1.00 C ATOM 413 C ILE A 28 -13.109 0.525 5.992 1.00 1.00 C ATOM 414 O ILE A 28 -13.670 1.211 6.846 1.00 1.00 O ATOM 415 CB ILE A 28 -10.849 -0.055 7.000 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.123 0.853 5.971 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.007 -1.208 7.578 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.595 0.791 5.943 1.00 1.00 C ATOM 0 H ILE A 28 -11.523 -1.124 4.485 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.688 -1.178 7.188 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.055 0.610 7.839 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.490 0.598 4.977 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.416 1.885 6.164 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.080 -0.810 7.991 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.569 -1.710 8.365 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.775 -1.921 6.787 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.217 1.473 5.181 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.201 1.081 6.917 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.276 -0.225 5.711 1.00 1.00 H new ATOM 430 N THR A 29 -13.332 0.683 4.685 1.00 1.00 N ATOM 431 CA THR A 29 -14.351 1.551 4.068 1.00 1.00 C ATOM 432 C THR A 29 -14.901 0.766 2.881 1.00 1.00 C ATOM 433 O THR A 29 -14.115 0.262 2.079 1.00 1.00 O ATOM 434 CB THR A 29 -13.774 2.901 3.603 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.224 3.601 4.698 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.831 3.810 2.972 1.00 1.00 C ATOM 0 H THR A 29 -12.780 0.184 3.987 1.00 1.00 H new ATOM 0 HA THR A 29 -15.125 1.800 4.794 1.00 1.00 H new ATOM 0 HB THR A 29 -13.016 2.662 2.857 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.476 4.154 4.390 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.368 4.747 2.663 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.264 3.315 2.103 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.615 4.016 3.700 1.00 1.00 H new ATOM 444 N ALA A 30 -16.223 0.610 2.792 1.00 1.00 N ATOM 445 CA ALA A 30 -16.878 -0.292 1.844 1.00 1.00 C ATOM 446 C ALA A 30 -16.500 -0.023 0.374 1.00 1.00 C ATOM 447 O ALA A 30 -16.423 1.125 -0.068 1.00 1.00 O ATOM 448 CB ALA A 30 -18.394 -0.217 2.058 1.00 1.00 C ATOM 0 H ALA A 30 -16.879 1.116 3.387 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.522 -1.303 2.044 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.894 -0.885 1.357 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.633 -0.517 3.078 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.735 0.805 1.891 1.00 1.00 H new ATOM 454 N VAL A 31 -16.311 -1.104 -0.384 1.00 1.00 N ATOM 455 CA VAL A 31 -15.833 -1.121 -1.774 1.00 1.00 C ATOM 456 C VAL A 31 -16.917 -1.765 -2.656 1.00 1.00 C ATOM 457 O VAL A 31 -16.986 -2.994 -2.729 1.00 1.00 O ATOM 458 CB VAL A 31 -14.501 -1.896 -1.900 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.946 -1.774 -3.317 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.395 -1.442 -0.941 1.00 1.00 C ATOM 0 H VAL A 31 -16.496 -2.042 -0.029 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.644 -0.099 -2.101 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.763 -2.922 -1.642 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.008 -2.325 -3.389 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.664 -2.186 -4.026 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.769 -0.724 -3.549 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.501 -2.044 -1.105 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.164 -0.392 -1.123 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.732 -1.566 0.088 1.00 1.00 H new ATOM 470 N PRO A 32 -17.816 -0.988 -3.286 1.00 1.00 N ATOM 471 CA PRO A 32 -18.907 -1.546 -4.082 1.00 1.00 C ATOM 472 C PRO A 32 -18.439 -2.096 -5.440 1.00 1.00 C ATOM 473 O PRO A 32 -17.292 -1.908 -5.855 1.00 1.00 O ATOM 474 CB PRO A 32 -19.926 -0.412 -4.215 1.00 1.00 C ATOM 475 CG PRO A 32 -19.040 0.821 -4.215 1.00 1.00 C ATOM 476 CD PRO A 32 -17.923 0.462 -3.233 1.00 1.00 C ATOM 0 HA PRO A 32 -19.346 -2.418 -3.598 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.508 -0.494 -5.133 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.635 -0.403 -3.387 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.647 1.032 -5.209 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.587 1.707 -3.894 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.983 0.936 -3.516 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.161 0.802 -2.225 1.00 1.00 H new ATOM 484 N VAL A 33 -19.364 -2.755 -6.151 1.00 1.00 N ATOM 485 CA VAL A 33 -19.116 -3.526 -7.389 1.00 1.00 C ATOM 486 C VAL A 33 -18.416 -2.758 -8.522 1.00 1.00 C ATOM 487 O VAL A 33 -17.780 -3.371 -9.377 1.00 1.00 O ATOM 488 CB VAL A 33 -20.426 -4.132 -7.944 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.153 -5.021 -6.927 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.434 -3.079 -8.427 1.00 1.00 C ATOM 0 H VAL A 33 -20.345 -2.770 -5.873 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.424 -4.304 -7.068 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.087 -4.728 -8.791 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.064 -5.417 -7.375 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.504 -5.847 -6.636 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.408 -4.432 -6.046 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.328 -3.577 -8.803 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.704 -2.426 -7.597 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.987 -2.486 -9.225 1.00 1.00 H new ATOM 500 N ASP A 34 -18.529 -1.429 -8.539 1.00 1.00 N ATOM 501 CA ASP A 34 -17.966 -0.536 -9.563 1.00 1.00 C ATOM 502 C ASP A 34 -17.469 0.789 -8.939 1.00 1.00 C ATOM 503 O ASP A 34 -17.532 1.852 -9.563 1.00 1.00 O ATOM 504 CB ASP A 34 -19.027 -0.333 -10.663 1.00 1.00 C ATOM 505 CG ASP A 34 -18.491 0.394 -11.906 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.394 0.018 -12.385 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.196 1.305 -12.404 1.00 1.00 O ATOM 0 H ASP A 34 -19.034 -0.921 -7.813 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.083 -0.985 -10.018 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.420 -1.305 -10.962 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.861 0.235 -10.251 1.00 1.00 H new ATOM 512 N GLY A 35 -17.014 0.737 -7.680 1.00 1.00 N ATOM 513 CA GLY A 35 -16.629 1.913 -6.885 1.00 1.00 C ATOM 514 C GLY A 35 -15.390 1.709 -6.007 1.00 1.00 C ATOM 515 O GLY A 35 -14.627 0.756 -6.187 1.00 1.00 O ATOM 0 H GLY A 35 -16.901 -0.142 -7.174 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.446 2.748 -7.561 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.467 2.196 -6.248 1.00 1.00 H new ATOM 519 N PHE A 36 -15.203 2.617 -5.044 1.00 1.00 N ATOM 520 CA PHE A 36 -13.987 2.746 -4.234 1.00 1.00 C ATOM 521 C PHE A 36 -14.292 2.771 -2.728 1.00 1.00 C ATOM 522 O PHE A 36 -15.293 3.338 -2.285 1.00 1.00 O ATOM 523 CB PHE A 36 -13.221 4.036 -4.587 1.00 1.00 C ATOM 524 CG PHE A 36 -12.858 4.255 -6.046 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.835 4.688 -6.965 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.528 4.085 -6.478 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.497 4.903 -8.312 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.187 4.310 -7.825 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.172 4.711 -8.745 1.00 1.00 C ATOM 0 H PHE A 36 -15.916 3.304 -4.799 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.380 1.870 -4.461 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.820 4.885 -4.258 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.300 4.051 -4.004 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.849 4.855 -6.632 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.768 3.781 -5.774 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.255 5.216 -9.015 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.167 4.174 -8.153 1.00 1.00 H new ATOM 0 HZ PHE A 36 -11.912 4.871 -9.781 1.00 1.00 H new ATOM 539 N GLY A 37 -13.378 2.190 -1.952 1.00 1.00 N ATOM 540 CA GLY A 37 -13.319 2.225 -0.489 1.00 1.00 C ATOM 541 C GLY A 37 -11.863 2.131 -0.022 1.00 1.00 C ATOM 542 O GLY A 37 -10.978 2.691 -0.666 1.00 1.00 O ATOM 0 H GLY A 37 -12.611 1.649 -2.351 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.769 3.147 -0.120 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.897 1.400 -0.073 1.00 1.00 H new ATOM 546 N GLU A 38 -11.591 1.439 1.084 1.00 1.00 N ATOM 547 CA GLU A 38 -10.249 1.354 1.686 1.00 1.00 C ATOM 548 C GLU A 38 -9.952 -0.019 2.303 1.00 1.00 C ATOM 549 O GLU A 38 -10.854 -0.727 2.754 1.00 1.00 O ATOM 550 CB GLU A 38 -10.073 2.424 2.779 1.00 1.00 C ATOM 551 CG GLU A 38 -9.938 3.856 2.258 1.00 1.00 C ATOM 552 CD GLU A 38 -9.846 4.850 3.420 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.718 5.059 3.931 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.906 5.402 3.803 1.00 1.00 O ATOM 0 H GLU A 38 -12.299 0.914 1.597 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.548 1.519 0.868 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.927 2.377 3.455 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.188 2.181 3.367 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.050 3.938 1.632 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.794 4.102 1.630 1.00 1.00 H new ATOM 561 N VAL A 39 -8.664 -0.357 2.382 1.00 1.00 N ATOM 562 CA VAL A 39 -8.123 -1.640 2.859 1.00 1.00 C ATOM 563 C VAL A 39 -6.801 -1.450 3.617 1.00 1.00 C ATOM 564 O VAL A 39 -6.092 -0.465 3.410 1.00 1.00 O ATOM 565 CB VAL A 39 -7.937 -2.581 1.644 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.740 -2.192 0.764 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.803 -4.053 2.030 1.00 1.00 C ATOM 0 H VAL A 39 -7.927 0.289 2.101 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.826 -2.084 3.564 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.856 -2.455 1.072 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.661 -2.888 -0.071 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.883 -1.181 0.382 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.826 -2.230 1.356 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.676 -4.655 1.130 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.936 -4.182 2.678 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.701 -4.374 2.557 1.00 1.00 H new ATOM 577 N VAL A 40 -6.449 -2.418 4.462 1.00 1.00 N ATOM 578 CA VAL A 40 -5.136 -2.565 5.130 1.00 1.00 C ATOM 579 C VAL A 40 -4.635 -3.990 4.897 1.00 1.00 C ATOM 580 O VAL A 40 -5.447 -4.912 4.886 1.00 1.00 O ATOM 581 CB VAL A 40 -5.193 -2.346 6.662 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.842 -1.841 7.175 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.256 -1.353 7.123 1.00 1.00 C ATOM 0 H VAL A 40 -7.097 -3.163 4.719 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.481 -1.804 4.706 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.452 -3.322 7.072 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.895 -1.691 8.253 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.069 -2.576 6.949 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.598 -0.896 6.689 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.223 -1.263 8.209 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.064 -0.379 6.672 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.241 -1.707 6.818 1.00 1.00 H new ATOM 593 N ILE A 41 -3.328 -4.210 4.744 1.00 1.00 N ATOM 594 CA ILE A 41 -2.755 -5.572 4.736 1.00 1.00 C ATOM 595 C ILE A 41 -2.795 -6.164 6.154 1.00 1.00 C ATOM 596 O ILE A 41 -2.686 -5.438 7.141 1.00 1.00 O ATOM 597 CB ILE A 41 -1.335 -5.539 4.128 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.377 -5.102 2.650 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.561 -6.866 4.245 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.224 -5.958 1.699 1.00 1.00 C ATOM 0 H ILE A 41 -2.640 -3.467 4.623 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.352 -6.231 4.105 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.792 -4.807 4.726 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.750 -4.079 2.609 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.355 -5.084 2.272 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.425 -6.753 3.793 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.450 -7.131 5.296 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.109 -7.654 3.728 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.170 -5.545 0.692 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.844 -6.980 1.693 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.261 -5.958 2.036 1.00 1.00 H new ATOM 612 N GLU A 42 -2.952 -7.486 6.257 1.00 1.00 N ATOM 613 CA GLU A 42 -3.230 -8.226 7.506 1.00 1.00 C ATOM 614 C GLU A 42 -2.199 -8.073 8.647 1.00 1.00 C ATOM 615 O GLU A 42 -2.517 -8.385 9.796 1.00 1.00 O ATOM 616 CB GLU A 42 -3.449 -9.717 7.179 1.00 1.00 C ATOM 617 CG GLU A 42 -4.847 -10.013 6.617 1.00 1.00 C ATOM 618 CD GLU A 42 -5.910 -10.088 7.721 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.419 -9.014 8.123 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.213 -11.218 8.171 1.00 1.00 O ATOM 0 H GLU A 42 -2.888 -8.101 5.446 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.131 -7.762 7.908 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.698 -10.038 6.457 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.295 -10.307 8.082 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.122 -9.237 5.902 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.825 -10.956 6.071 1.00 1.00 H new ATOM 627 N GLY A 43 -1.002 -7.542 8.382 1.00 1.00 N ATOM 628 CA GLY A 43 -0.004 -7.140 9.389 1.00 1.00 C ATOM 629 C GLY A 43 -0.365 -5.856 10.148 1.00 1.00 C ATOM 630 O GLY A 43 0.510 -5.021 10.375 1.00 1.00 O ATOM 0 H GLY A 43 -0.686 -7.372 7.427 1.00 1.00 H new ATOM 0 HA2 GLY A 43 0.120 -7.951 10.106 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.958 -7.000 8.896 1.00 1.00 H new ATOM 634 N ILE A 44 -1.642 -5.683 10.515 1.00 1.00 N ATOM 635 CA ILE A 44 -2.269 -4.461 11.059 1.00 1.00 C ATOM 636 C ILE A 44 -1.527 -3.743 12.205 1.00 1.00 C ATOM 637 O ILE A 44 -1.725 -2.542 12.401 1.00 1.00 O ATOM 638 CB ILE A 44 -3.776 -4.675 11.346 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.153 -5.904 12.203 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.537 -4.790 10.011 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.569 -5.919 13.618 1.00 1.00 C ATOM 0 H ILE A 44 -2.316 -6.445 10.436 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.171 -3.738 10.249 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.056 -3.803 11.938 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -5.239 -5.956 12.276 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -3.825 -6.804 11.683 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.598 -4.941 10.209 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.402 -3.875 9.435 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.150 -5.636 9.443 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -3.893 -6.822 14.136 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -2.481 -5.903 13.563 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.917 -5.043 14.165 1.00 1.00 H new ATOM 653 N GLY A 45 -0.659 -4.439 12.948 1.00 1.00 N ATOM 654 CA GLY A 45 0.245 -3.848 13.943 1.00 1.00 C ATOM 655 C GLY A 45 1.343 -2.934 13.366 1.00 1.00 C ATOM 656 O GLY A 45 1.935 -2.157 14.120 1.00 1.00 O ATOM 0 H GLY A 45 -0.563 -5.452 12.873 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.348 -3.273 14.654 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.721 -4.653 14.503 1.00 1.00 H new ATOM 660 N GLY A 46 1.615 -2.994 12.053 1.00 1.00 N ATOM 661 CA GLY A 46 2.648 -2.180 11.386 1.00 1.00 C ATOM 662 C GLY A 46 2.422 -1.845 9.899 1.00 1.00 C ATOM 663 O GLY A 46 3.151 -1.010 9.358 1.00 1.00 O ATOM 0 H GLY A 46 1.119 -3.616 11.415 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.746 -1.243 11.933 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.601 -2.702 11.475 1.00 1.00 H new ATOM 667 N THR A 47 1.438 -2.450 9.226 1.00 1.00 N ATOM 668 CA THR A 47 1.026 -2.106 7.846 1.00 1.00 C ATOM 669 C THR A 47 0.304 -0.746 7.754 1.00 1.00 C ATOM 670 O THR A 47 0.033 -0.092 8.765 1.00 1.00 O ATOM 671 CB THR A 47 0.143 -3.218 7.252 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.926 -3.496 8.121 1.00 1.00 O ATOM 673 CG2 THR A 47 0.938 -4.504 7.020 1.00 1.00 C ATOM 0 H THR A 47 0.889 -3.210 9.627 1.00 1.00 H new ATOM 0 HA THR A 47 1.942 -2.018 7.262 1.00 1.00 H new ATOM 0 HB THR A 47 -0.232 -2.862 6.292 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.512 -4.168 7.714 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.282 -5.267 6.600 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.755 -4.306 6.326 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.344 -4.857 7.968 1.00 1.00 H new ATOM 681 N ILE A 48 -0.013 -0.310 6.526 1.00 1.00 N ATOM 682 CA ILE A 48 -0.540 1.027 6.193 1.00 1.00 C ATOM 683 C ILE A 48 -1.809 0.882 5.338 1.00 1.00 C ATOM 684 O ILE A 48 -1.855 0.059 4.420 1.00 1.00 O ATOM 685 CB ILE A 48 0.548 1.838 5.437 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.872 1.998 6.224 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.038 3.222 5.003 1.00 1.00 C ATOM 688 CD1 ILE A 48 1.779 2.828 7.511 1.00 1.00 C ATOM 0 H ILE A 48 0.094 -0.902 5.702 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.799 1.562 7.107 1.00 1.00 H new ATOM 0 HB ILE A 48 0.768 1.240 4.552 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.245 1.006 6.478 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.611 2.458 5.568 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.832 3.754 4.478 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.819 3.103 4.340 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.261 3.792 5.883 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.760 2.877 7.984 1.00 1.00 H new ATOM 0 HD12 ILE A 48 1.441 3.836 7.270 1.00 1.00 H new ATOM 0 HD13 ILE A 48 1.070 2.361 8.195 1.00 1.00 H new ATOM 700 N SER A 49 -2.846 1.669 5.639 1.00 1.00 N ATOM 701 CA SER A 49 -4.104 1.702 4.877 1.00 1.00 C ATOM 702 C SER A 49 -3.950 2.366 3.500 1.00 1.00 C ATOM 703 O SER A 49 -3.161 3.299 3.326 1.00 1.00 O ATOM 704 CB SER A 49 -5.202 2.425 5.672 1.00 1.00 C ATOM 705 OG SER A 49 -4.749 3.677 6.166 1.00 1.00 O ATOM 0 H SER A 49 -2.838 2.312 6.431 1.00 1.00 H new ATOM 0 HA SER A 49 -4.388 0.663 4.713 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.073 2.578 5.035 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.522 1.799 6.505 1.00 1.00 H new ATOM 0 HG SER A 49 -5.471 4.112 6.665 1.00 1.00 H new ATOM 711 N LYS A 50 -4.734 1.902 2.518 1.00 1.00 N ATOM 712 CA LYS A 50 -4.734 2.354 1.113 1.00 1.00 C ATOM 713 C LYS A 50 -6.163 2.396 0.554 1.00 1.00 C ATOM 714 O LYS A 50 -7.056 1.733 1.086 1.00 1.00 O ATOM 715 CB LYS A 50 -3.894 1.386 0.249 1.00 1.00 C ATOM 716 CG LYS A 50 -2.446 1.127 0.704 1.00 1.00 C ATOM 717 CD LYS A 50 -1.532 2.357 0.582 1.00 1.00 C ATOM 718 CE LYS A 50 -0.172 2.121 1.253 1.00 1.00 C ATOM 719 NZ LYS A 50 0.607 1.072 0.562 1.00 1.00 N ATOM 0 H LYS A 50 -5.420 1.166 2.686 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.305 3.356 1.081 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.414 0.429 0.209 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.866 1.776 -0.768 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.455 0.793 1.741 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.028 0.314 0.111 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.382 2.596 -0.471 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.019 3.219 1.038 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.396 3.051 1.259 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.325 1.834 2.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.595 1.103 0.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.201 0.139 0.778 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.574 1.235 -0.465 1.00 1.00 H new ATOM 733 N SER A 51 -6.377 3.140 -0.533 1.00 1.00 N ATOM 734 CA SER A 51 -7.636 3.087 -1.294 1.00 1.00 C ATOM 735 C SER A 51 -7.767 1.730 -1.995 1.00 1.00 C ATOM 736 O SER A 51 -6.761 1.093 -2.326 1.00 1.00 O ATOM 737 CB SER A 51 -7.689 4.230 -2.313 1.00 1.00 C ATOM 738 OG SER A 51 -8.962 4.294 -2.933 1.00 1.00 O ATOM 0 H SER A 51 -5.691 3.793 -0.912 1.00 1.00 H new ATOM 0 HA SER A 51 -8.473 3.204 -0.605 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.474 5.176 -1.816 1.00 1.00 H new ATOM 0 HB3 SER A 51 -6.918 4.084 -3.070 1.00 1.00 H new ATOM 0 HG SER A 51 -8.975 5.031 -3.578 1.00 1.00 H new ATOM 744 N ALA A 52 -9.001 1.280 -2.217 1.00 1.00 N ATOM 745 CA ALA A 52 -9.290 -0.032 -2.791 1.00 1.00 C ATOM 746 C ALA A 52 -10.488 -0.034 -3.757 1.00 1.00 C ATOM 747 O ALA A 52 -11.460 0.694 -3.548 1.00 1.00 O ATOM 748 CB ALA A 52 -9.502 -1.031 -1.647 1.00 1.00 C ATOM 0 H ALA A 52 -9.837 1.823 -2.001 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.434 -0.324 -3.400 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.719 -2.016 -2.060 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.600 -1.083 -1.038 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.338 -0.704 -1.029 1.00 1.00 H new ATOM 754 N VAL A 53 -10.434 -0.908 -4.769 1.00 1.00 N ATOM 755 CA VAL A 53 -11.509 -1.192 -5.746 1.00 1.00 C ATOM 756 C VAL A 53 -11.783 -2.698 -5.857 1.00 1.00 C ATOM 757 O VAL A 53 -10.899 -3.518 -5.597 1.00 1.00 O ATOM 758 CB VAL A 53 -11.206 -0.610 -7.143 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.073 0.912 -7.093 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.948 -1.187 -7.806 1.00 1.00 C ATOM 0 H VAL A 53 -9.600 -1.468 -4.943 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.402 -0.697 -5.365 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.061 -0.902 -7.752 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.860 1.292 -8.092 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.005 1.347 -6.731 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.260 1.184 -6.420 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.807 -0.725 -8.783 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.080 -0.982 -7.180 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.062 -2.264 -7.927 1.00 1.00 H new ATOM 770 N SER A 54 -13.002 -3.082 -6.245 1.00 1.00 N ATOM 771 CA SER A 54 -13.419 -4.484 -6.350 1.00 1.00 C ATOM 772 C SER A 54 -13.022 -5.090 -7.700 1.00 1.00 C ATOM 773 O SER A 54 -13.609 -4.772 -8.738 1.00 1.00 O ATOM 774 CB SER A 54 -14.927 -4.579 -6.133 1.00 1.00 C ATOM 775 OG SER A 54 -15.299 -5.933 -6.012 1.00 1.00 O ATOM 0 H SER A 54 -13.736 -2.421 -6.498 1.00 1.00 H new ATOM 0 HA SER A 54 -12.906 -5.059 -5.579 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.211 -4.031 -5.235 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.455 -4.119 -6.968 1.00 1.00 H new ATOM 0 HG SER A 54 -16.098 -6.004 -5.449 1.00 1.00 H new ATOM 781 N PHE A 55 -12.006 -5.956 -7.700 1.00 1.00 N ATOM 782 CA PHE A 55 -11.487 -6.615 -8.907 1.00 1.00 C ATOM 783 C PHE A 55 -12.495 -7.589 -9.546 1.00 1.00 C ATOM 784 O PHE A 55 -12.534 -7.743 -10.768 1.00 1.00 O ATOM 785 CB PHE A 55 -10.203 -7.361 -8.532 1.00 1.00 C ATOM 786 CG PHE A 55 -9.474 -7.988 -9.709 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.621 -7.204 -10.511 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.634 -9.358 -9.997 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.926 -7.789 -11.586 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.938 -9.941 -11.070 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.082 -9.159 -11.863 1.00 1.00 C ATOM 0 H PHE A 55 -11.511 -6.225 -6.850 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.293 -5.845 -9.654 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.528 -6.668 -8.030 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.448 -8.143 -7.814 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.500 -6.152 -10.300 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.293 -9.962 -9.391 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.273 -7.186 -12.199 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.062 -10.992 -11.285 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.544 -9.609 -12.684 1.00 1.00 H new ATOM 801 N ASP A 56 -13.331 -8.226 -8.722 1.00 1.00 N ATOM 802 CA ASP A 56 -14.285 -9.271 -9.125 1.00 1.00 C ATOM 803 C ASP A 56 -15.732 -8.739 -9.240 1.00 1.00 C ATOM 804 O ASP A 56 -16.690 -9.514 -9.227 1.00 1.00 O ATOM 805 CB ASP A 56 -14.141 -10.441 -8.134 1.00 1.00 C ATOM 806 CG ASP A 56 -14.886 -11.709 -8.576 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.621 -12.179 -9.708 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.699 -12.227 -7.774 1.00 1.00 O ATOM 0 H ASP A 56 -13.366 -8.024 -7.723 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.054 -9.622 -10.130 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.084 -10.674 -8.010 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.515 -10.130 -7.159 1.00 1.00 H new ATOM 813 N ASN A 57 -15.899 -7.412 -9.325 1.00 1.00 N ATOM 814 CA ASN A 57 -17.173 -6.682 -9.319 1.00 1.00 C ATOM 815 C ASN A 57 -18.168 -7.140 -8.228 1.00 1.00 C ATOM 816 O ASN A 57 -19.363 -7.310 -8.474 1.00 1.00 O ATOM 817 CB ASN A 57 -17.739 -6.557 -10.752 1.00 1.00 C ATOM 818 CG ASN A 57 -18.159 -7.862 -11.417 1.00 1.00 C ATOM 819 OD1 ASN A 57 -17.507 -8.365 -12.323 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.279 -8.426 -11.026 1.00 1.00 N ATOM 0 H ASN A 57 -15.100 -6.783 -9.404 1.00 1.00 H new ATOM 0 HA ASN A 57 -16.969 -5.661 -8.996 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.602 -5.891 -10.724 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -16.987 -6.078 -11.379 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -19.604 -9.281 -11.477 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -19.824 -8.009 -10.271 1.00 1.00 H new ATOM 827 N GLN A 58 -17.663 -7.327 -7.005 1.00 1.00 N ATOM 828 CA GLN A 58 -18.444 -7.682 -5.811 1.00 1.00 C ATOM 829 C GLN A 58 -18.573 -6.482 -4.864 1.00 1.00 C ATOM 830 O GLN A 58 -17.698 -5.617 -4.838 1.00 1.00 O ATOM 831 CB GLN A 58 -17.761 -8.837 -5.055 1.00 1.00 C ATOM 832 CG GLN A 58 -17.549 -10.111 -5.885 1.00 1.00 C ATOM 833 CD GLN A 58 -18.833 -10.641 -6.523 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.792 -11.002 -5.853 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.911 -10.699 -7.835 1.00 1.00 N ATOM 0 H GLN A 58 -16.666 -7.233 -6.810 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.437 -7.987 -6.141 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.793 -8.492 -4.690 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.361 -9.086 -4.180 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.820 -9.908 -6.669 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.123 -10.885 -5.246 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.120 -10.402 -8.407 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.762 -11.041 -8.281 1.00 1.00 H new ATOM 844 N GLN A 59 -19.632 -6.432 -4.055 1.00 1.00 N ATOM 845 CA GLN A 59 -19.740 -5.449 -2.972 1.00 1.00 C ATOM 846 C GLN A 59 -18.960 -5.984 -1.755 1.00 1.00 C ATOM 847 O GLN A 59 -19.228 -7.090 -1.280 1.00 1.00 O ATOM 848 CB GLN A 59 -21.225 -5.177 -2.652 1.00 1.00 C ATOM 849 CG GLN A 59 -21.504 -3.768 -2.089 1.00 1.00 C ATOM 850 CD GLN A 59 -20.776 -3.454 -0.783 1.00 1.00 C ATOM 851 OE1 GLN A 59 -19.776 -2.752 -0.756 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.234 -3.959 0.341 1.00 1.00 N ATOM 0 H GLN A 59 -20.431 -7.062 -4.128 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.305 -4.493 -3.266 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.812 -5.316 -3.560 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.571 -5.919 -1.932 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.218 -3.028 -2.837 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.577 -3.660 -1.928 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.068 -4.547 0.334 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -20.756 -3.763 1.220 1.00 1.00 H new ATOM 861 N ILE A 60 -17.996 -5.211 -1.256 1.00 1.00 N ATOM 862 CA ILE A 60 -17.062 -5.602 -0.190 1.00 1.00 C ATOM 863 C ILE A 60 -17.248 -4.658 1.003 1.00 1.00 C ATOM 864 O ILE A 60 -16.695 -3.559 1.044 1.00 1.00 O ATOM 865 CB ILE A 60 -15.589 -5.667 -0.673 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.410 -6.128 -2.142 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.846 -6.599 0.287 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.955 -6.167 -2.629 1.00 1.00 C ATOM 0 H ILE A 60 -17.835 -4.261 -1.592 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.296 -6.620 0.123 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.182 -4.656 -0.662 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.842 -7.123 -2.252 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.978 -5.460 -2.790 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.802 -6.675 -0.015 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.903 -6.199 1.299 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.304 -7.588 0.262 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.927 -6.501 -3.666 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.520 -5.170 -2.557 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.383 -6.858 -2.010 1.00 1.00 H new ATOM 880 N SER A 61 -18.095 -5.063 1.951 1.00 1.00 N ATOM 881 CA SER A 61 -18.403 -4.282 3.158 1.00 1.00 C ATOM 882 C SER A 61 -17.219 -4.185 4.139 1.00 1.00 C ATOM 883 O SER A 61 -16.209 -4.885 4.011 1.00 1.00 O ATOM 884 CB SER A 61 -19.633 -4.878 3.856 1.00 1.00 C ATOM 885 OG SER A 61 -20.220 -3.906 4.706 1.00 1.00 O ATOM 0 H SER A 61 -18.594 -5.952 1.905 1.00 1.00 H new ATOM 0 HA SER A 61 -18.613 -3.262 2.836 1.00 1.00 H new ATOM 0 HB2 SER A 61 -20.358 -5.211 3.114 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.345 -5.755 4.436 1.00 1.00 H new ATOM 0 HG SER A 61 -21.006 -4.290 5.148 1.00 1.00 H new ATOM 891 N TYR A 62 -17.366 -3.328 5.151 1.00 1.00 N ATOM 892 CA TYR A 62 -16.455 -3.200 6.293 1.00 1.00 C ATOM 893 C TYR A 62 -16.190 -4.545 6.998 1.00 1.00 C ATOM 894 O TYR A 62 -17.099 -5.361 7.181 1.00 1.00 O ATOM 895 CB TYR A 62 -17.074 -2.197 7.285 1.00 1.00 C ATOM 896 CG TYR A 62 -16.351 -2.099 8.618 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.233 -1.257 8.747 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.775 -2.871 9.718 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.530 -1.187 9.964 1.00 1.00 C ATOM 900 CE2 TYR A 62 -16.077 -2.807 10.940 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.949 -1.965 11.066 1.00 1.00 C ATOM 902 OH TYR A 62 -14.266 -1.894 12.242 1.00 1.00 O ATOM 0 H TYR A 62 -18.152 -2.679 5.201 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.490 -2.850 5.927 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.090 -1.210 6.822 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.111 -2.480 7.468 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.911 -0.660 7.907 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.638 -3.514 9.624 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.671 -0.539 10.055 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.404 -3.401 11.780 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.683 -2.490 12.899 1.00 1.00 H new ATOM 912 N GLY A 63 -14.948 -4.752 7.447 1.00 1.00 N ATOM 913 CA GLY A 63 -14.575 -5.862 8.325 1.00 1.00 C ATOM 914 C GLY A 63 -14.518 -7.242 7.662 1.00 1.00 C ATOM 915 O GLY A 63 -14.787 -8.236 8.339 1.00 1.00 O ATOM 0 H GLY A 63 -14.165 -4.145 7.207 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.598 -5.646 8.758 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.287 -5.904 9.149 1.00 1.00 H new ATOM 919 N THR A 64 -14.159 -7.334 6.373 1.00 1.00 N ATOM 920 CA THR A 64 -14.019 -8.622 5.663 1.00 1.00 C ATOM 921 C THR A 64 -12.614 -8.830 5.103 1.00 1.00 C ATOM 922 O THR A 64 -11.880 -7.871 4.844 1.00 1.00 O ATOM 923 CB THR A 64 -15.089 -8.792 4.575 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.286 -10.168 4.340 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.742 -8.155 3.235 1.00 1.00 C ATOM 0 H THR A 64 -13.957 -6.521 5.791 1.00 1.00 H new ATOM 0 HA THR A 64 -14.180 -9.403 6.406 1.00 1.00 H new ATOM 0 HB THR A 64 -15.976 -8.286 4.956 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.969 -10.287 3.648 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.555 -8.326 2.529 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.597 -7.083 3.368 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.826 -8.600 2.847 1.00 1.00 H new ATOM 933 N THR A 65 -12.237 -10.097 4.944 1.00 1.00 N ATOM 934 CA THR A 65 -10.882 -10.528 4.577 1.00 1.00 C ATOM 935 C THR A 65 -10.772 -10.685 3.062 1.00 1.00 C ATOM 936 O THR A 65 -11.525 -11.439 2.438 1.00 1.00 O ATOM 937 CB THR A 65 -10.518 -11.836 5.289 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.686 -11.679 6.683 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.063 -12.231 5.052 1.00 1.00 C ATOM 0 H THR A 65 -12.881 -10.878 5.070 1.00 1.00 H new ATOM 0 HA THR A 65 -10.174 -9.763 4.898 1.00 1.00 H new ATOM 0 HB THR A 65 -11.172 -12.609 4.887 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.455 -12.516 7.137 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.849 -13.163 5.575 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.892 -12.366 3.984 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.407 -11.446 5.428 1.00 1.00 H new ATOM 947 N VAL A 66 -9.803 -9.990 2.470 1.00 1.00 N ATOM 948 CA VAL A 66 -9.652 -9.816 1.018 1.00 1.00 C ATOM 949 C VAL A 66 -8.247 -10.164 0.536 1.00 1.00 C ATOM 950 O VAL A 66 -7.275 -9.925 1.237 1.00 1.00 O ATOM 951 CB VAL A 66 -9.995 -8.371 0.597 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.476 -8.040 0.785 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.200 -7.294 1.352 1.00 1.00 C ATOM 0 H VAL A 66 -9.074 -9.514 3.002 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.352 -10.508 0.550 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.723 -8.349 -0.458 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.661 -7.012 0.474 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.080 -8.717 0.180 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.744 -8.155 1.835 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.499 -6.307 0.999 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.403 -7.374 2.420 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.134 -7.436 1.173 1.00 1.00 H new ATOM 963 N LEU A 67 -8.121 -10.720 -0.666 1.00 1.00 N ATOM 964 CA LEU A 67 -6.831 -10.899 -1.339 1.00 1.00 C ATOM 965 C LEU A 67 -6.618 -9.721 -2.295 1.00 1.00 C ATOM 966 O LEU A 67 -7.495 -9.428 -3.113 1.00 1.00 O ATOM 967 CB LEU A 67 -6.845 -12.248 -2.086 1.00 1.00 C ATOM 968 CG LEU A 67 -5.542 -12.596 -2.832 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.372 -12.829 -1.874 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.743 -13.872 -3.647 1.00 1.00 C ATOM 0 H LEU A 67 -8.915 -11.063 -1.207 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.007 -10.917 -0.626 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.057 -13.041 -1.369 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.665 -12.240 -2.804 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.306 -11.748 -3.474 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.476 -13.071 -2.446 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.196 -11.927 -1.289 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.609 -13.656 -1.204 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.821 -14.116 -4.174 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.008 -14.692 -2.980 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.544 -13.719 -4.370 1.00 1.00 H new ATOM 982 N VAL A 68 -5.474 -9.039 -2.202 1.00 1.00 N ATOM 983 CA VAL A 68 -5.091 -8.045 -3.218 1.00 1.00 C ATOM 984 C VAL A 68 -4.647 -8.800 -4.474 1.00 1.00 C ATOM 985 O VAL A 68 -3.777 -9.665 -4.401 1.00 1.00 O ATOM 986 CB VAL A 68 -3.977 -7.089 -2.742 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.867 -5.910 -3.713 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.245 -6.530 -1.339 1.00 1.00 C ATOM 0 H VAL A 68 -4.801 -9.152 -1.444 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.956 -7.414 -3.423 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.053 -7.666 -2.711 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.080 -5.234 -3.377 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.626 -6.281 -4.709 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.816 -5.375 -3.744 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.432 -5.863 -1.051 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.184 -5.977 -1.341 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.310 -7.352 -0.626 1.00 1.00 H new ATOM 998 N VAL A 69 -5.256 -8.492 -5.619 1.00 1.00 N ATOM 999 CA VAL A 69 -5.116 -9.254 -6.879 1.00 1.00 C ATOM 1000 C VAL A 69 -4.564 -8.425 -8.047 1.00 1.00 C ATOM 1001 O VAL A 69 -4.003 -8.987 -8.988 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.438 -9.946 -7.263 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.636 -11.223 -6.438 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.670 -9.057 -7.065 1.00 1.00 C ATOM 0 H VAL A 69 -5.877 -7.688 -5.708 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.367 -10.020 -6.679 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.351 -10.174 -8.325 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.575 -11.698 -6.723 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.810 -11.909 -6.626 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.664 -10.971 -5.378 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.566 -9.607 -7.354 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.745 -8.767 -6.017 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.577 -8.164 -7.683 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.647 -7.097 -7.974 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.975 -6.148 -8.876 1.00 1.00 C ATOM 1016 C ASP A 70 -3.695 -4.857 -8.083 1.00 1.00 C ATOM 1017 O ASP A 70 -4.277 -4.660 -7.017 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.821 -5.878 -10.135 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.968 -5.626 -11.381 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.191 -4.645 -11.368 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -4.095 -6.410 -12.351 1.00 1.00 O ATOM 0 H ASP A 70 -5.204 -6.630 -7.259 1.00 1.00 H new ATOM 0 HA ASP A 70 -3.034 -6.569 -9.231 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.477 -6.730 -10.316 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.462 -5.014 -9.958 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.799 -3.987 -8.548 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.348 -2.803 -7.794 1.00 1.00 C ATOM 1028 C ILE A 71 -2.029 -1.638 -8.740 1.00 1.00 C ATOM 1029 O ILE A 71 -1.412 -1.806 -9.794 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.132 -3.163 -6.889 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.579 -4.146 -5.779 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.485 -1.923 -6.247 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.610 -4.393 -4.624 1.00 1.00 C ATOM 0 H ILE A 71 -2.359 -4.079 -9.464 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.159 -2.476 -7.144 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.382 -3.628 -7.529 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.515 -3.777 -5.360 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.796 -5.106 -6.247 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.357 -2.232 -5.627 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.132 -1.250 -7.029 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.220 -1.407 -5.629 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.052 -5.101 -3.923 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.323 -4.802 -5.013 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.408 -3.453 -4.111 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.412 -0.438 -8.304 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.068 0.862 -8.871 1.00 1.00 C ATOM 1047 C ASN A 72 -1.675 1.811 -7.715 1.00 1.00 C ATOM 1048 O ASN A 72 -1.980 1.523 -6.556 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.285 1.347 -9.683 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.048 2.681 -10.367 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.492 3.726 -9.918 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.310 2.695 -11.454 1.00 1.00 N ATOM 0 H ASN A 72 -3.014 -0.344 -7.486 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.213 0.820 -9.546 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.535 0.599 -10.435 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.146 1.433 -9.020 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.108 3.578 -11.922 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.939 1.822 -11.830 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.979 2.917 -8.004 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.387 3.840 -7.021 1.00 1.00 C ATOM 1061 C ASN A 73 -1.377 4.302 -5.924 1.00 1.00 C ATOM 1062 O ASN A 73 -2.192 5.202 -6.139 1.00 1.00 O ATOM 1063 CB ASN A 73 0.242 5.033 -7.768 1.00 1.00 C ATOM 1064 CG ASN A 73 1.367 4.625 -8.706 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.147 4.056 -9.766 1.00 1.00 O ATOM 1066 ND2 ASN A 73 2.605 4.891 -8.353 1.00 1.00 N ATOM 0 H ASN A 73 -0.804 3.207 -8.966 1.00 1.00 H new ATOM 0 HA ASN A 73 0.387 3.296 -6.479 1.00 1.00 H new ATOM 0 HB2 ASN A 73 -0.532 5.544 -8.340 1.00 1.00 H new ATOM 0 HB3 ASN A 73 0.625 5.748 -7.040 1.00 1.00 H new ATOM 0 HD21 ASN A 73 3.378 4.623 -8.962 1.00 1.00 H new ATOM 0 HD22 ASN A 73 2.793 5.365 -7.470 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.313 3.671 -4.745 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.205 3.901 -3.599 1.00 1.00 C ATOM 1075 C GLY A 74 -3.664 3.450 -3.785 1.00 1.00 C ATOM 1076 O GLY A 74 -4.499 3.762 -2.935 1.00 1.00 O ATOM 0 H GLY A 74 -0.610 2.957 -4.554 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.793 3.384 -2.732 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.201 4.966 -3.367 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.971 2.715 -4.861 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.307 2.232 -5.257 1.00 1.00 C ATOM 1082 C VAL A 75 -5.201 0.749 -5.623 1.00 1.00 C ATOM 1083 O VAL A 75 -4.922 0.368 -6.761 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.923 3.059 -6.409 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.369 2.614 -6.676 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.961 4.563 -6.107 1.00 1.00 C ATOM 0 H VAL A 75 -3.251 2.422 -5.522 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.986 2.357 -4.414 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.284 2.884 -7.274 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.788 3.206 -7.490 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.380 1.559 -6.952 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.967 2.760 -5.776 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.403 5.092 -6.951 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.560 4.740 -5.214 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.947 4.927 -5.942 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.348 -0.101 -4.613 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.266 -1.557 -4.725 1.00 1.00 C ATOM 1098 C LEU A 76 -6.561 -2.123 -5.340 1.00 1.00 C ATOM 1099 O LEU A 76 -7.652 -1.614 -5.095 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.035 -2.113 -3.302 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.578 -2.049 -2.793 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.919 -0.666 -2.848 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.533 -2.523 -1.340 1.00 1.00 C ATOM 0 H LEU A 76 -5.534 0.213 -3.660 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.447 -1.851 -5.381 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.669 -1.561 -2.608 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.365 -3.152 -3.278 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.016 -2.689 -3.473 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.900 -0.733 -2.468 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.900 -0.313 -3.879 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.489 0.033 -2.236 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.507 -2.480 -0.975 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.163 -1.878 -0.727 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.897 -3.549 -1.280 1.00 1.00 H new ATOM 1115 N SER A 77 -6.465 -3.232 -6.068 1.00 1.00 N ATOM 1116 CA SER A 77 -7.615 -3.992 -6.575 1.00 1.00 C ATOM 1117 C SER A 77 -7.715 -5.298 -5.797 1.00 1.00 C ATOM 1118 O SER A 77 -6.774 -6.094 -5.779 1.00 1.00 O ATOM 1119 CB SER A 77 -7.490 -4.294 -8.069 1.00 1.00 C ATOM 1120 OG SER A 77 -7.248 -3.113 -8.819 1.00 1.00 O ATOM 0 H SER A 77 -5.568 -3.640 -6.330 1.00 1.00 H new ATOM 0 HA SER A 77 -8.512 -3.389 -6.439 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.678 -5.003 -8.232 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.404 -4.770 -8.423 1.00 1.00 H new ATOM 0 HG SER A 77 -7.171 -3.339 -9.769 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.851 -5.524 -5.136 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.023 -6.615 -4.165 1.00 1.00 C ATOM 1128 C VAL A 78 -10.285 -7.439 -4.428 1.00 1.00 C ATOM 1129 O VAL A 78 -11.199 -7.002 -5.129 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.985 -6.079 -2.712 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.816 -5.116 -2.457 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.262 -5.348 -2.289 1.00 1.00 C ATOM 0 H VAL A 78 -9.687 -4.952 -5.258 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.180 -7.293 -4.296 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.868 -6.986 -2.119 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.844 -4.775 -1.422 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.873 -5.630 -2.644 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.900 -4.258 -3.124 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.160 -5.002 -1.260 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.426 -4.493 -2.945 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.111 -6.028 -2.360 1.00 1.00 H new ATOM 1142 N THR A 79 -10.346 -8.633 -3.843 1.00 1.00 N ATOM 1143 CA THR A 79 -11.511 -9.537 -3.901 1.00 1.00 C ATOM 1144 C THR A 79 -11.673 -10.293 -2.569 1.00 1.00 C ATOM 1145 O THR A 79 -10.657 -10.637 -1.956 1.00 1.00 O ATOM 1146 CB THR A 79 -11.368 -10.498 -5.097 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.493 -11.340 -5.181 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.132 -11.400 -5.043 1.00 1.00 C ATOM 0 H THR A 79 -9.572 -9.016 -3.300 1.00 1.00 H new ATOM 0 HA THR A 79 -12.418 -8.951 -4.050 1.00 1.00 H new ATOM 0 HB THR A 79 -11.270 -9.847 -5.966 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.392 -11.945 -5.945 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.112 -12.043 -5.923 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.233 -10.784 -5.023 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.170 -12.016 -4.145 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.899 -10.532 -2.057 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.118 -11.187 -0.766 1.00 1.00 C ATOM 1158 C PRO A 80 -12.793 -12.689 -0.799 1.00 1.00 C ATOM 1159 O PRO A 80 -13.634 -13.536 -1.107 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.562 -10.874 -0.381 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.264 -10.718 -1.730 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.179 -10.105 -2.617 1.00 1.00 C ATOM 0 HA PRO A 80 -12.435 -10.808 -0.006 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -15.003 -11.676 0.211 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.630 -9.964 0.215 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.608 -11.676 -2.118 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.138 -10.071 -1.657 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.284 -10.442 -3.648 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.255 -9.018 -2.628 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.540 -13.013 -0.470 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.035 -14.383 -0.355 1.00 1.00 C ATOM 1172 C HIS A 81 -11.693 -15.142 0.816 1.00 1.00 C ATOM 1173 O HIS A 81 -11.983 -16.332 0.685 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.507 -14.318 -0.198 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.773 -15.644 -0.204 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.323 -16.909 -0.153 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.414 -15.813 -0.251 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.328 -17.810 -0.176 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.138 -17.187 -0.235 1.00 1.00 N ATOM 0 H HIS A 81 -10.829 -12.309 -0.271 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.291 -14.942 -1.255 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.107 -13.702 -1.003 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.281 -13.806 0.738 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.319 -17.123 -0.106 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.680 -15.022 -0.293 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.464 -18.881 -0.151 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.932 -14.456 1.944 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.475 -14.999 3.205 1.00 1.00 C ATOM 1189 C GLU A 82 -12.004 -16.438 3.567 1.00 1.00 C ATOM 1190 O GLU A 82 -12.837 -17.338 3.742 1.00 1.00 O ATOM 1191 CB GLU A 82 -14.008 -14.836 3.223 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.439 -13.360 3.201 1.00 1.00 C ATOM 1193 CD GLU A 82 -15.964 -13.233 3.297 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.511 -13.491 4.398 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.595 -12.888 2.269 1.00 1.00 O ATOM 0 H GLU A 82 -11.743 -13.456 2.008 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.047 -14.403 4.011 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.436 -15.350 2.362 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.412 -15.317 4.114 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.973 -12.829 4.031 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.088 -12.888 2.283 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.680 -16.695 3.664 1.00 1.00 N ATOM 1203 CA PRO A 83 -10.140 -18.015 4.000 1.00 1.00 C ATOM 1204 C PRO A 83 -10.437 -18.425 5.456 1.00 1.00 C ATOM 1205 O PRO A 83 -10.674 -17.582 6.327 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.634 -17.910 3.739 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.327 -16.438 4.008 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.594 -15.729 3.535 1.00 1.00 C ATOM 0 HA PRO A 83 -10.607 -18.794 3.397 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -8.066 -18.566 4.399 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.383 -18.192 2.716 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.132 -16.253 5.064 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.448 -16.102 3.458 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.790 -14.842 4.137 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.490 -15.397 2.502 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.376 -19.733 5.726 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.634 -20.355 7.041 1.00 1.00 C ATOM 1218 C ILE A 84 -9.595 -21.457 7.308 1.00 1.00 C ATOM 1219 O ILE A 84 -9.285 -22.273 6.428 1.00 1.00 O ATOM 1220 CB ILE A 84 -12.079 -20.917 7.137 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -13.145 -19.839 6.814 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -12.323 -21.503 8.543 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -14.600 -20.326 6.865 1.00 1.00 C ATOM 0 H ILE A 84 -10.137 -20.419 5.011 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.540 -19.586 7.807 1.00 1.00 H new ATOM 0 HB ILE A 84 -12.177 -21.705 6.391 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -13.029 -19.014 7.517 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -12.946 -19.440 5.819 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -13.338 -21.895 8.603 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.612 -22.307 8.730 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -12.192 -20.721 9.291 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -15.269 -19.500 6.625 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -14.741 -21.129 6.141 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -14.825 -20.696 7.865 1.00 1.00 H new TER 1235 ILE A 84